data_ma-t3vr3-008
_entry.id ma-t3vr3-008
_entry.ma_collection_id ma-t3vr3

_struct.entry_id ma-t3vr3-008
_struct.pdbx_model_details
;Predicted interaction between Activator of apoptosis harakiri (residue 1 - 91) and Apoptosis regulator Bcl-2 (residue 1 - 239).

Model generated using AlphaFold2 with a 200 residue separation between the chains starting from a paired Multiple Sequence Alignment(pMSA).
;
_struct.pdbx_structure_determination_methodology computational
_struct.title 'Predicted interaction between HRK (1-91) and BCL2 (1-239)'

_audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/ba728c4/archive/mmcif_ma-v1.4.5.dic
_audit_conform.dict_name mmcif_ma.dic
_audit_conform.dict_version 1.4.5

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
primary 'Computed cancer interactome explains the effects of somatic mutations in cancers.' 'Protein Sci' 31 e4479 . 2022 36261849 10.1002/pro.4479
2 '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
primary 'Zhang, J.' 1
primary 'Pei, J.' 2
primary 'Durham, J.' 3
primary 'Bos, T.' 4
primary 'Cong, Q.' 5
2 'Jumper, J.' 6
2 'Evans, R.' 7
2 'Pritzel, A.' 8
2 'Green, T.' 9
2 'Figurnov, M.' 10
2 'Ronneberger, O.' 11
2 'Tunyasuvunakool, K.' 12
2 'Bates, R.' 13
2 'Zidek, A.' 14
2 'Potapenko, A.' 15
2 'Bridgland, A.' 16
2 'Meyer, C.' 17
2 'Kohl, S.A.A.' 18
2 'Ballard, A.J.' 19
2 'Cowie, A.' 20
2 'Romera-Paredes, B.' 21
2 'Nikolov, S.' 22
2 'Jain, R.' 23
2 'Adler, J.' 24
2 'Back, T.' 25
2 'Petersen, S.' 26
2 'Reiman, D.' 27
2 'Clancy, E.' 28
2 'Zielinski, M.' 29
2 'Steinegger, M.' 30
2 'Pacholska, M.' 31
2 'Berghammer, T.' 32
2 'Bodenstein, S.' 33
2 'Silver, D.' 34
2 'Vinyals, O.' 35
2 'Senior, A.W.' 36
2 'Kavukcuoglu, K.' 37
2 'Kohli, P.' 38
2 'Hassabis, D.' 39

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' 2.0.0 package https://github.com/deepmind/alphafold 2

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 .

loop_
_audit_author.name
_audit_author.pdbx_ordinal
'Zhang, J.' 1
'Pei, J.' 2
'Durham, J.' 3
'Bos, T.' 4
'Cong, Q.' 5

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 'Homo sapiens (Human) HRK (O00198; 1 - 91)' 11522.193 1 .
2 polymer nat 'Homo sapiens (Human) BCL2 (P10415; 1 - 239)' 30583.775 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 9606 'Homo sapiens (Human)' . .
2 2 9606 'Homo sapiens (Human)' . .

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 . HRK_HUMAN O00198 . 1 91 9606 'Homo sapiens (Human)' 1997-07-01 22E45FA2B0B7AA00
2 UNP . BCL2_HUMAN P10415 . 1 239 9606 'Homo sapiens (Human)' 1993-04-01 3C49F2B714DC9CCB

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
;MCPCPLHRGRGPPAVCACSAGRLGLRSSAAQLTAARLKALGDELHQRTMWRRRARSRRAPAPGALPTYWP
WLCAAAQVAALAAWLLGRRNL
;
;MCPCPLHRGRGPPAVCACSAGRLGLRSSAAQLTAARLKALGDELHQRTMWRRRARSRRAPAPGALPTYWP
WLCAAAQVAALAAWLLGRRNL
;
2 polypeptide(L) no no B
;MAHAGRTGYDNREIVMKYIHYKLSQRGYEWDAGDVGAAPPGAAPAPGIFSSQPGHTPHPAASRDPVARTS
PLQTPAAPGAAAGPALSPVPPVVHLTLRQAGDDFSRRYRRDFAEMSSQLHLTPFTARGRFATVVEELFRD
GVNWGRIVAFFEFGGVMCVESVNREMSPLVDNIALWMTEYLNRHLHTWIQDNGGWDAFVELYGPSMRPLF
DFSWLSLKTLLSLALVGACITLGAYLGHK
;
;MAHAGRTGYDNREIVMKYIHYKLSQRGYEWDAGDVGAAPPGAAPAPGIFSSQPGHTPHPAASRDPVARTS
PLQTPAAPGAAAGPALSPVPPVVHLTLRQAGDDFSRRYRRDFAEMSSQLHLTPFTARGRFATVVEELFRD
GVNWGRIVAFFEFGGVMCVESVNREMSPLVDNIALWMTEYLNRHLHTWIQDNGGWDAFVELYGPSMRPLF
DFSWLSLKTLLSLALVGACITLGAYLGHK
;

loop_
_entity_poly_seq.entity_id
_entity_poly_seq.num
_entity_poly_seq.mon_id
_entity_poly_seq.hetero
1 1 MET .
1 2 CYS .
1 3 PRO .
1 4 CYS .
1 5 PRO .
1 6 LEU .
1 7 HIS .
1 8 ARG .
1 9 GLY .
1 10 ARG .
1 11 GLY .
1 12 PRO .
1 13 PRO .
1 14 ALA .
1 15 VAL .
1 16 CYS .
1 17 ALA .
1 18 CYS .
1 19 SER .
1 20 ALA .
1 21 GLY .
1 22 ARG .
1 23 LEU .
1 24 GLY .
1 25 LEU .
1 26 ARG .
1 27 SER .
1 28 SER .
1 29 ALA .
1 30 ALA .
1 31 GLN .
1 32 LEU .
1 33 THR .
1 34 ALA .
1 35 ALA .
1 36 ARG .
1 37 LEU .
1 38 LYS .
1 39 ALA .
1 40 LEU .
1 41 GLY .
1 42 ASP .
1 43 GLU .
1 44 LEU .
1 45 HIS .
1 46 GLN .
1 47 ARG .
1 48 THR .
1 49 MET .
1 50 TRP .
1 51 ARG .
1 52 ARG .
1 53 ARG .
1 54 ALA .
1 55 ARG .
1 56 SER .
1 57 ARG .
1 58 ARG .
1 59 ALA .
1 60 PRO .
1 61 ALA .
1 62 PRO .
1 63 GLY .
1 64 ALA .
1 65 LEU .
1 66 PRO .
1 67 THR .
1 68 TYR .
1 69 TRP .
1 70 PRO .
1 71 TRP .
1 72 LEU .
1 73 CYS .
1 74 ALA .
1 75 ALA .
1 76 ALA .
1 77 GLN .
1 78 VAL .
1 79 ALA .
1 80 ALA .
1 81 LEU .
1 82 ALA .
1 83 ALA .
1 84 TRP .
1 85 LEU .
1 86 LEU .
1 87 GLY .
1 88 ARG .
1 89 ARG .
1 90 ASN .
1 91 LEU .
2 1 MET .
2 2 ALA .
2 3 HIS .
2 4 ALA .
2 5 GLY .
2 6 ARG .
2 7 THR .
2 8 GLY .
2 9 TYR .
2 10 ASP .
2 11 ASN .
2 12 ARG .
2 13 GLU .
2 14 ILE .
2 15 VAL .
2 16 MET .
2 17 LYS .
2 18 TYR .
2 19 ILE .
2 20 HIS .
2 21 TYR .
2 22 LYS .
2 23 LEU .
2 24 SER .
2 25 GLN .
2 26 ARG .
2 27 GLY .
2 28 TYR .
2 29 GLU .
2 30 TRP .
2 31 ASP .
2 32 ALA .
2 33 GLY .
2 34 ASP .
2 35 VAL .
2 36 GLY .
2 37 ALA .
2 38 ALA .
2 39 PRO .
2 40 PRO .
2 41 GLY .
2 42 ALA .
2 43 ALA .
2 44 PRO .
2 45 ALA .
2 46 PRO .
2 47 GLY .
2 48 ILE .
2 49 PHE .
2 50 SER .
2 51 SER .
2 52 GLN .
2 53 PRO .
2 54 GLY .
2 55 HIS .
2 56 THR .
2 57 PRO .
2 58 HIS .
2 59 PRO .
2 60 ALA .
2 61 ALA .
2 62 SER .
2 63 ARG .
2 64 ASP .
2 65 PRO .
2 66 VAL .
2 67 ALA .
2 68 ARG .
2 69 THR .
2 70 SER .
2 71 PRO .
2 72 LEU .
2 73 GLN .
2 74 THR .
2 75 PRO .
2 76 ALA .
2 77 ALA .
2 78 PRO .
2 79 GLY .
2 80 ALA .
2 81 ALA .
2 82 ALA .
2 83 GLY .
2 84 PRO .
2 85 ALA .
2 86 LEU .
2 87 SER .
2 88 PRO .
2 89 VAL .
2 90 PRO .
2 91 PRO .
2 92 VAL .
2 93 VAL .
2 94 HIS .
2 95 LEU .
2 96 THR .
2 97 LEU .
2 98 ARG .
2 99 GLN .
2 100 ALA .
2 101 GLY .
2 102 ASP .
2 103 ASP .
2 104 PHE .
2 105 SER .
2 106 ARG .
2 107 ARG .
2 108 TYR .
2 109 ARG .
2 110 ARG .
2 111 ASP .
2 112 PHE .
2 113 ALA .
2 114 GLU .
2 115 MET .
2 116 SER .
2 117 SER .
2 118 GLN .
2 119 LEU .
2 120 HIS .
2 121 LEU .
2 122 THR .
2 123 PRO .
2 124 PHE .
2 125 THR .
2 126 ALA .
2 127 ARG .
2 128 GLY .
2 129 ARG .
2 130 PHE .
2 131 ALA .
2 132 THR .
2 133 VAL .
2 134 VAL .
2 135 GLU .
2 136 GLU .
2 137 LEU .
2 138 PHE .
2 139 ARG .
2 140 ASP .
2 141 GLY .
2 142 VAL .
2 143 ASN .
2 144 TRP .
2 145 GLY .
2 146 ARG .
2 147 ILE .
2 148 VAL .
2 149 ALA .
2 150 PHE .
2 151 PHE .
2 152 GLU .
2 153 PHE .
2 154 GLY .
2 155 GLY .
2 156 VAL .
2 157 MET .
2 158 CYS .
2 159 VAL .
2 160 GLU .
2 161 SER .
2 162 VAL .
2 163 ASN .
2 164 ARG .
2 165 GLU .
2 166 MET .
2 167 SER .
2 168 PRO .
2 169 LEU .
2 170 VAL .
2 171 ASP .
2 172 ASN .
2 173 ILE .
2 174 ALA .
2 175 LEU .
2 176 TRP .
2 177 MET .
2 178 THR .
2 179 GLU .
2 180 TYR .
2 181 LEU .
2 182 ASN .
2 183 ARG .
2 184 HIS .
2 185 LEU .
2 186 HIS .
2 187 THR .
2 188 TRP .
2 189 ILE .
2 190 GLN .
2 191 ASP .
2 192 ASN .
2 193 GLY .
2 194 GLY .
2 195 TRP .
2 196 ASP .
2 197 ALA .
2 198 PHE .
2 199 VAL .
2 200 GLU .
2 201 LEU .
2 202 TYR .
2 203 GLY .
2 204 PRO .
2 205 SER .
2 206 MET .
2 207 ARG .
2 208 PRO .
2 209 LEU .
2 210 PHE .
2 211 ASP .
2 212 PHE .
2 213 SER .
2 214 TRP .
2 215 LEU .
2 216 SER .
2 217 LEU .
2 218 LYS .
2 219 THR .
2 220 LEU .
2 221 LEU .
2 222 SER .
2 223 LEU .
2 224 ALA .
2 225 LEU .
2 226 VAL .
2 227 GLY .
2 228 ALA .
2 229 CYS .
2 230 ILE .
2 231 THR .
2 232 LEU .
2 233 GLY .
2 234 ALA .
2 235 TYR .
2 236 LEU .
2 237 GLY .
2 238 HIS .
2 239 LYS .

loop_
_struct_asym.id
_struct_asym.entity_id
_struct_asym.details
A 1 .
B 2 .

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 CYS 2 2 CYS CYS A .
A 1 3 PRO 3 3 PRO PRO A .
A 1 4 CYS 4 4 CYS CYS A .
A 1 5 PRO 5 5 PRO PRO A .
A 1 6 LEU 6 6 LEU LEU A .
A 1 7 HIS 7 7 HIS HIS A .
A 1 8 ARG 8 8 ARG ARG A .
A 1 9 GLY 9 9 GLY GLY A .
A 1 10 ARG 10 10 ARG ARG A .
A 1 11 GLY 11 11 GLY GLY A .
A 1 12 PRO 12 12 PRO PRO A .
A 1 13 PRO 13 13 PRO PRO A .
A 1 14 ALA 14 14 ALA ALA A .
A 1 15 VAL 15 15 VAL VAL A .
A 1 16 CYS 16 16 CYS CYS A .
A 1 17 ALA 17 17 ALA ALA A .
A 1 18 CYS 18 18 CYS CYS A .
A 1 19 SER 19 19 SER SER A .
A 1 20 ALA 20 20 ALA ALA A .
A 1 21 GLY 21 21 GLY GLY A .
A 1 22 ARG 22 22 ARG ARG A .
A 1 23 LEU 23 23 LEU LEU A .
A 1 24 GLY 24 24 GLY GLY A .
A 1 25 LEU 25 25 LEU LEU A .
A 1 26 ARG 26 26 ARG ARG A .
A 1 27 SER 27 27 SER SER A .
A 1 28 SER 28 28 SER SER A .
A 1 29 ALA 29 29 ALA ALA A .
A 1 30 ALA 30 30 ALA ALA A .
A 1 31 GLN 31 31 GLN GLN A .
A 1 32 LEU 32 32 LEU LEU A .
A 1 33 THR 33 33 THR THR A .
A 1 34 ALA 34 34 ALA ALA A .
A 1 35 ALA 35 35 ALA ALA A .
A 1 36 ARG 36 36 ARG ARG A .
A 1 37 LEU 37 37 LEU LEU A .
A 1 38 LYS 38 38 LYS LYS A .
A 1 39 ALA 39 39 ALA ALA A .
A 1 40 LEU 40 40 LEU LEU A .
A 1 41 GLY 41 41 GLY GLY A .
A 1 42 ASP 42 42 ASP ASP A .
A 1 43 GLU 43 43 GLU GLU A .
A 1 44 LEU 44 44 LEU LEU A .
A 1 45 HIS 45 45 HIS HIS A .
A 1 46 GLN 46 46 GLN GLN A .
A 1 47 ARG 47 47 ARG ARG A .
A 1 48 THR 48 48 THR THR A .
A 1 49 MET 49 49 MET MET A .
A 1 50 TRP 50 50 TRP TRP A .
A 1 51 ARG 51 51 ARG ARG A .
A 1 52 ARG 52 52 ARG ARG A .
A 1 53 ARG 53 53 ARG ARG A .
A 1 54 ALA 54 54 ALA ALA A .
A 1 55 ARG 55 55 ARG ARG A .
A 1 56 SER 56 56 SER SER A .
A 1 57 ARG 57 57 ARG ARG A .
A 1 58 ARG 58 58 ARG ARG A .
A 1 59 ALA 59 59 ALA ALA A .
A 1 60 PRO 60 60 PRO PRO A .
A 1 61 ALA 61 61 ALA ALA A .
A 1 62 PRO 62 62 PRO PRO A .
A 1 63 GLY 63 63 GLY GLY A .
A 1 64 ALA 64 64 ALA ALA A .
A 1 65 LEU 65 65 LEU LEU A .
A 1 66 PRO 66 66 PRO PRO A .
A 1 67 THR 67 67 THR THR A .
A 1 68 TYR 68 68 TYR TYR A .
A 1 69 TRP 69 69 TRP TRP A .
A 1 70 PRO 70 70 PRO PRO A .
A 1 71 TRP 71 71 TRP TRP A .
A 1 72 LEU 72 72 LEU LEU A .
A 1 73 CYS 73 73 CYS CYS A .
A 1 74 ALA 74 74 ALA ALA A .
A 1 75 ALA 75 75 ALA ALA A .
A 1 76 ALA 76 76 ALA ALA A .
A 1 77 GLN 77 77 GLN GLN A .
A 1 78 VAL 78 78 VAL VAL A .
A 1 79 ALA 79 79 ALA ALA A .
A 1 80 ALA 80 80 ALA ALA A .
A 1 81 LEU 81 81 LEU LEU A .
A 1 82 ALA 82 82 ALA ALA A .
A 1 83 ALA 83 83 ALA ALA A .
A 1 84 TRP 84 84 TRP TRP A .
A 1 85 LEU 85 85 LEU LEU A .
A 1 86 LEU 86 86 LEU LEU A .
A 1 87 GLY 87 87 GLY GLY A .
A 1 88 ARG 88 88 ARG ARG A .
A 1 89 ARG 89 89 ARG ARG A .
A 1 90 ASN 90 90 ASN ASN A .
A 1 91 LEU 91 91 LEU LEU A .
B 2 1 MET 1 1 MET MET B .
B 2 2 ALA 2 2 ALA ALA B .
B 2 3 HIS 3 3 HIS HIS B .
B 2 4 ALA 4 4 ALA ALA B .
B 2 5 GLY 5 5 GLY GLY B .
B 2 6 ARG 6 6 ARG ARG B .
B 2 7 THR 7 7 THR THR B .
B 2 8 GLY 8 8 GLY GLY B .
B 2 9 TYR 9 9 TYR TYR B .
B 2 10 ASP 10 10 ASP ASP B .
B 2 11 ASN 11 11 ASN ASN B .
B 2 12 ARG 12 12 ARG ARG B .
B 2 13 GLU 13 13 GLU GLU B .
B 2 14 ILE 14 14 ILE ILE B .
B 2 15 VAL 15 15 VAL VAL B .
B 2 16 MET 16 16 MET MET B .
B 2 17 LYS 17 17 LYS LYS B .
B 2 18 TYR 18 18 TYR TYR B .
B 2 19 ILE 19 19 ILE ILE B .
B 2 20 HIS 20 20 HIS HIS B .
B 2 21 TYR 21 21 TYR TYR B .
B 2 22 LYS 22 22 LYS LYS B .
B 2 23 LEU 23 23 LEU LEU B .
B 2 24 SER 24 24 SER SER B .
B 2 25 GLN 25 25 GLN GLN B .
B 2 26 ARG 26 26 ARG ARG B .
B 2 27 GLY 27 27 GLY GLY B .
B 2 28 TYR 28 28 TYR TYR B .
B 2 29 GLU 29 29 GLU GLU B .
B 2 30 TRP 30 30 TRP TRP B .
B 2 31 ASP 31 31 ASP ASP B .
B 2 32 ALA 32 32 ALA ALA B .
B 2 33 GLY 33 33 GLY GLY B .
B 2 34 ASP 34 34 ASP ASP B .
B 2 35 VAL 35 35 VAL VAL B .
B 2 36 GLY 36 36 GLY GLY B .
B 2 37 ALA 37 37 ALA ALA B .
B 2 38 ALA 38 38 ALA ALA B .
B 2 39 PRO 39 39 PRO PRO B .
B 2 40 PRO 40 40 PRO PRO B .
B 2 41 GLY 41 41 GLY GLY B .
B 2 42 ALA 42 42 ALA ALA B .
B 2 43 ALA 43 43 ALA ALA B .
B 2 44 PRO 44 44 PRO PRO B .
B 2 45 ALA 45 45 ALA ALA B .
B 2 46 PRO 46 46 PRO PRO B .
B 2 47 GLY 47 47 GLY GLY B .
B 2 48 ILE 48 48 ILE ILE B .
B 2 49 PHE 49 49 PHE PHE B .
B 2 50 SER 50 50 SER SER B .
B 2 51 SER 51 51 SER SER B .
B 2 52 GLN 52 52 GLN GLN B .
B 2 53 PRO 53 53 PRO PRO B .
B 2 54 GLY 54 54 GLY GLY B .
B 2 55 HIS 55 55 HIS HIS B .
B 2 56 THR 56 56 THR THR B .
B 2 57 PRO 57 57 PRO PRO B .
B 2 58 HIS 58 58 HIS HIS B .
B 2 59 PRO 59 59 PRO PRO B .
B 2 60 ALA 60 60 ALA ALA B .
B 2 61 ALA 61 61 ALA ALA B .
B 2 62 SER 62 62 SER SER B .
B 2 63 ARG 63 63 ARG ARG B .
B 2 64 ASP 64 64 ASP ASP B .
B 2 65 PRO 65 65 PRO PRO B .
B 2 66 VAL 66 66 VAL VAL B .
B 2 67 ALA 67 67 ALA ALA B .
B 2 68 ARG 68 68 ARG ARG B .
B 2 69 THR 69 69 THR THR B .
B 2 70 SER 70 70 SER SER B .
B 2 71 PRO 71 71 PRO PRO B .
B 2 72 LEU 72 72 LEU LEU B .
B 2 73 GLN 73 73 GLN GLN B .
B 2 74 THR 74 74 THR THR B .
B 2 75 PRO 75 75 PRO PRO B .
B 2 76 ALA 76 76 ALA ALA B .
B 2 77 ALA 77 77 ALA ALA B .
B 2 78 PRO 78 78 PRO PRO B .
B 2 79 GLY 79 79 GLY GLY B .
B 2 80 ALA 80 80 ALA ALA B .
B 2 81 ALA 81 81 ALA ALA B .
B 2 82 ALA 82 82 ALA ALA B .
B 2 83 GLY 83 83 GLY GLY B .
B 2 84 PRO 84 84 PRO PRO B .
B 2 85 ALA 85 85 ALA ALA B .
B 2 86 LEU 86 86 LEU LEU B .
B 2 87 SER 87 87 SER SER B .
B 2 88 PRO 88 88 PRO PRO B .
B 2 89 VAL 89 89 VAL VAL B .
B 2 90 PRO 90 90 PRO PRO B .
B 2 91 PRO 91 91 PRO PRO B .
B 2 92 VAL 92 92 VAL VAL B .
B 2 93 VAL 93 93 VAL VAL B .
B 2 94 HIS 94 94 HIS HIS B .
B 2 95 LEU 95 95 LEU LEU B .
B 2 96 THR 96 96 THR THR B .
B 2 97 LEU 97 97 LEU LEU B .
B 2 98 ARG 98 98 ARG ARG B .
B 2 99 GLN 99 99 GLN GLN B .
B 2 100 ALA 100 100 ALA ALA B .
B 2 101 GLY 101 101 GLY GLY B .
B 2 102 ASP 102 102 ASP ASP B .
B 2 103 ASP 103 103 ASP ASP B .
B 2 104 PHE 104 104 PHE PHE B .
B 2 105 SER 105 105 SER SER B .
B 2 106 ARG 106 106 ARG ARG B .
B 2 107 ARG 107 107 ARG ARG B .
B 2 108 TYR 108 108 TYR TYR B .
B 2 109 ARG 109 109 ARG ARG B .
B 2 110 ARG 110 110 ARG ARG B .
B 2 111 ASP 111 111 ASP ASP B .
B 2 112 PHE 112 112 PHE PHE B .
B 2 113 ALA 113 113 ALA ALA B .
B 2 114 GLU 114 114 GLU GLU B .
B 2 115 MET 115 115 MET MET B .
B 2 116 SER 116 116 SER SER B .
B 2 117 SER 117 117 SER SER B .
B 2 118 GLN 118 118 GLN GLN B .
B 2 119 LEU 119 119 LEU LEU B .
B 2 120 HIS 120 120 HIS HIS B .
B 2 121 LEU 121 121 LEU LEU B .
B 2 122 THR 122 122 THR THR B .
B 2 123 PRO 123 123 PRO PRO B .
B 2 124 PHE 124 124 PHE PHE B .
B 2 125 THR 125 125 THR THR B .
B 2 126 ALA 126 126 ALA ALA B .
B 2 127 ARG 127 127 ARG ARG B .
B 2 128 GLY 128 128 GLY GLY B .
B 2 129 ARG 129 129 ARG ARG B .
B 2 130 PHE 130 130 PHE PHE B .
B 2 131 ALA 131 131 ALA ALA B .
B 2 132 THR 132 132 THR THR B .
B 2 133 VAL 133 133 VAL VAL B .
B 2 134 VAL 134 134 VAL VAL B .
B 2 135 GLU 135 135 GLU GLU B .
B 2 136 GLU 136 136 GLU GLU B .
B 2 137 LEU 137 137 LEU LEU B .
B 2 138 PHE 138 138 PHE PHE B .
B 2 139 ARG 139 139 ARG ARG B .
B 2 140 ASP 140 140 ASP ASP B .
B 2 141 GLY 141 141 GLY GLY B .
B 2 142 VAL 142 142 VAL VAL B .
B 2 143 ASN 143 143 ASN ASN B .
B 2 144 TRP 144 144 TRP TRP B .
B 2 145 GLY 145 145 GLY GLY B .
B 2 146 ARG 146 146 ARG ARG B .
B 2 147 ILE 147 147 ILE ILE B .
B 2 148 VAL 148 148 VAL VAL B .
B 2 149 ALA 149 149 ALA ALA B .
B 2 150 PHE 150 150 PHE PHE B .
B 2 151 PHE 151 151 PHE PHE B .
B 2 152 GLU 152 152 GLU GLU B .
B 2 153 PHE 153 153 PHE PHE B .
B 2 154 GLY 154 154 GLY GLY B .
B 2 155 GLY 155 155 GLY GLY B .
B 2 156 VAL 156 156 VAL VAL B .
B 2 157 MET 157 157 MET MET B .
B 2 158 CYS 158 158 CYS CYS B .
B 2 159 VAL 159 159 VAL VAL B .
B 2 160 GLU 160 160 GLU GLU B .
B 2 161 SER 161 161 SER SER B .
B 2 162 VAL 162 162 VAL VAL B .
B 2 163 ASN 163 163 ASN ASN B .
B 2 164 ARG 164 164 ARG ARG B .
B 2 165 GLU 165 165 GLU GLU B .
B 2 166 MET 166 166 MET MET B .
B 2 167 SER 167 167 SER SER B .
B 2 168 PRO 168 168 PRO PRO B .
B 2 169 LEU 169 169 LEU LEU B .
B 2 170 VAL 170 170 VAL VAL B .
B 2 171 ASP 171 171 ASP ASP B .
B 2 172 ASN 172 172 ASN ASN B .
B 2 173 ILE 173 173 ILE ILE B .
B 2 174 ALA 174 174 ALA ALA B .
B 2 175 LEU 175 175 LEU LEU B .
B 2 176 TRP 176 176 TRP TRP B .
B 2 177 MET 177 177 MET MET B .
B 2 178 THR 178 178 THR THR B .
B 2 179 GLU 179 179 GLU GLU B .
B 2 180 TYR 180 180 TYR TYR B .
B 2 181 LEU 181 181 LEU LEU B .
B 2 182 ASN 182 182 ASN ASN B .
B 2 183 ARG 183 183 ARG ARG B .
B 2 184 HIS 184 184 HIS HIS B .
B 2 185 LEU 185 185 LEU LEU B .
B 2 186 HIS 186 186 HIS HIS B .
B 2 187 THR 187 187 THR THR B .
B 2 188 TRP 188 188 TRP TRP B .
B 2 189 ILE 189 189 ILE ILE B .
B 2 190 GLN 190 190 GLN GLN B .
B 2 191 ASP 191 191 ASP ASP B .
B 2 192 ASN 192 192 ASN ASN B .
B 2 193 GLY 193 193 GLY GLY B .
B 2 194 GLY 194 194 GLY GLY B .
B 2 195 TRP 195 195 TRP TRP B .
B 2 196 ASP 196 196 ASP ASP B .
B 2 197 ALA 197 197 ALA ALA B .
B 2 198 PHE 198 198 PHE PHE B .
B 2 199 VAL 199 199 VAL VAL B .
B 2 200 GLU 200 200 GLU GLU B .
B 2 201 LEU 201 201 LEU LEU B .
B 2 202 TYR 202 202 TYR TYR B .
B 2 203 GLY 203 203 GLY GLY B .
B 2 204 PRO 204 204 PRO PRO B .
B 2 205 SER 205 205 SER SER B .
B 2 206 MET 206 206 MET MET B .
B 2 207 ARG 207 207 ARG ARG B .
B 2 208 PRO 208 208 PRO PRO B .
B 2 209 LEU 209 209 LEU LEU B .
B 2 210 PHE 210 210 PHE PHE B .
B 2 211 ASP 211 211 ASP ASP B .
B 2 212 PHE 212 212 PHE PHE B .
B 2 213 SER 213 213 SER SER B .
B 2 214 TRP 214 214 TRP TRP B .
B 2 215 LEU 215 215 LEU LEU B .
B 2 216 SER 216 216 SER SER B .
B 2 217 LEU 217 217 LEU LEU B .
B 2 218 LYS 218 218 LYS LYS B .
B 2 219 THR 219 219 THR THR B .
B 2 220 LEU 220 220 LEU LEU B .
B 2 221 LEU 221 221 LEU LEU B .
B 2 222 SER 222 222 SER SER B .
B 2 223 LEU 223 223 LEU LEU B .
B 2 224 ALA 224 224 ALA ALA B .
B 2 225 LEU 225 225 LEU LEU B .
B 2 226 VAL 226 226 VAL VAL B .
B 2 227 GLY 227 227 GLY GLY B .
B 2 228 ALA 228 228 ALA ALA B .
B 2 229 CYS 229 229 CYS CYS B .
B 2 230 ILE 230 230 ILE ILE B .
B 2 231 THR 231 231 THR THR B .
B 2 232 LEU 232 232 LEU LEU B .
B 2 233 GLY 233 233 GLY GLY B .
B 2 234 ALA 234 234 ALA ALA B .
B 2 235 TYR 235 235 TYR TYR B .
B 2 236 LEU 236 236 LEU LEU B .
B 2 237 GLY 237 237 GLY GLY B .
B 2 238 HIS 238 238 HIS HIS B .
B 2 239 LYS 239 239 LYS LYS B .

loop_
_ma_data.id
_ma_data.name
_ma_data.content_type
1 'Homo sapiens (Human) HRK (O00198; 1 - 91)' target
2 'Homo sapiens (Human) BCL2 (P10415; 1 - 239)' target
3 'Model 3' 'model coordinates'
4 'Paired MSA for the dimer' 'coevolution MSA'

loop_
_ma_data_group.ordinal_id
_ma_data_group.group_id
_ma_data_group.data_id
1 1 1
2 1 2
3 2 1
4 2 2
5 2 4
6 3 4
7 4 3

loop_
_ma_target_entity.entity_id
_ma_target_entity.data_id
_ma_target_entity.origin
1 1 'reference database'
2 2 'reference database'

loop_
_ma_target_entity_instance.asym_id
_ma_target_entity_instance.entity_id
_ma_target_entity_instance.details
A 1 .
B 2 .

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 'coevolution MSA' . 'Create paired MSAs for the dimers' . 1 3
2 1 2 modeling . "Model using AlphaFold ('model 3' parameters; pTM monomer version) with a 200 residue gap between the two chains, without templates and without model relaxation" 1 2 4

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' . 3 '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 -13.604 26.555 28.282 1.000 1 A 45.411 1
ATOM 2 C CA . MET 1 1 ? A -13.605 28.014 28.209 1.000 1 A 45.411 1
ATOM 3 C C . MET 1 1 ? A -12.824 28.498 26.992 1.000 1 A 45.411 1
ATOM 4 O O . MET 1 1 ? A -11.664 28.126 26.805 1.000 1 A 45.411 1
ATOM 5 C CB . MET 1 1 ? A -13.013 28.617 29.484 1.000 1 A 45.411 1
ATOM 6 C CG . MET 1 1 ? A -14.028 28.812 30.598 1.000 1 A 45.411 1
ATOM 7 S SD . MET 1 1 ? A -13.409 29.913 31.929 1.000 1 A 45.411 1
ATOM 8 C CE . MET 1 1 ? A -14.982 30.449 32.659 1.000 1 A 45.411 1
ATOM 9 N N . CYS 2 2 ? A -13.289 28.482 25.724 1.000 1 A 50.665 1
ATOM 10 C CA . CYS 2 2 ? A -12.705 28.902 24.455 1.000 1 A 50.665 1
ATOM 11 C C . CYS 2 2 ? A -12.206 30.340 24.533 1.000 1 A 50.665 1
ATOM 12 O O . CYS 2 2 ? A -12.915 31.222 25.020 1.000 1 A 50.665 1
ATOM 13 C CB . CYS 2 2 ? A -13.726 28.768 23.325 1.000 1 A 50.665 1
ATOM 14 S SG . CYS 2 2 ? A -13.708 27.154 22.515 1.000 1 A 50.665 1
ATOM 15 N N . PRO 3 3 ? A -10.857 30.682 24.605 1.000 1 A 53.608 1
ATOM 16 C CA . PRO 3 3 ? A -10.331 32.047 24.684 1.000 1 A 53.608 1
ATOM 17 C C . PRO 3 3 ? A -10.516 32.826 23.384 1.000 1 A 53.608 1
ATOM 18 O O . PRO 3 3 ? A -9.533 33.207 22.742 1.000 1 A 53.608 1
ATOM 19 C CB . PRO 3 3 ? A -8.845 31.835 24.986 1.000 1 A 53.608 1
ATOM 20 C CG . PRO 3 3 ? A -8.538 30.471 24.456 1.000 1 A 53.608 1
ATOM 21 C CD . PRO 3 3 ? A -9.829 29.804 24.079 1.000 1 A 53.608 1
ATOM 22 N N . CYS 4 4 ? A -11.740 32.977 22.769 1.000 1 A 57.673 1
ATOM 23 C CA . CYS 4 4 ? A -11.856 33.864 21.616 1.000 1 A 57.673 1
ATOM 24 C C . CYS 4 4 ? A -12.094 35.303 22.058 1.000 1 A 57.673 1
ATOM 25 O O . CYS 4 4 ? A -12.941 35.562 22.914 1.000 1 A 57.673 1
ATOM 26 C CB . CYS 4 4 ? A -12.992 33.407 20.701 1.000 1 A 57.673 1
ATOM 27 S SG . CYS 4 4 ? A -12.600 31.933 19.734 1.000 1 A 57.673 1
ATOM 28 N N . PRO 5 5 ? A -11.074 36.177 21.986 1.000 1 A 56.588 1
ATOM 29 C CA . PRO 5 5 ? A -11.238 37.595 22.314 1.000 1 A 56.588 1
ATOM 30 C C . PRO 5 5 ? A -12.263 38.293 21.424 1.000 1 A 56.588 1
ATOM 31 O O . PRO 5 5 ? A -12.625 39.444 21.678 1.000 1 A 56.588 1
ATOM 32 C CB . PRO 5 5 ? A -9.838 38.172 22.091 1.000 1 A 56.588 1
ATOM 33 C CG . PRO 5 5 ? A -9.092 37.097 21.368 1.000 1 A 56.588 1
ATOM 34 C CD . PRO 5 5 ? A -9.903 35.834 21.424 1.000 1 A 56.588 1
ATOM 35 N N . LEU 6 6 ? A -13.207 37.537 20.720 1.000 1 A 53.515 1
ATOM 36 C CA . LEU 6 6 ? A -14.165 38.392 20.028 1.000 1 A 53.515 1
ATOM 37 C C . LEU 6 6 ? A -15.584 38.129 20.522 1.000 1 A 53.515 1
ATOM 38 O O . LEU 6 6 ? A -16.544 38.695 19.994 1.000 1 A 53.515 1
ATOM 39 C CB . LEU 6 6 ? A -14.088 38.168 18.516 1.000 1 A 53.515 1
ATOM 40 C CG . LEU 6 6 ? A -13.058 39.007 17.758 1.000 1 A 53.515 1
ATOM 41 C CD1 . LEU 6 6 ? A -12.683 38.327 16.445 1.000 1 A 53.515 1
ATOM 42 C CD2 . LEU 6 6 ? A -13.595 40.412 17.504 1.000 1 A 53.515 1
ATOM 43 N N . HIS 7 7 ? A -15.804 37.948 21.852 1.000 1 A 48.122 1
ATOM 44 C CA . HIS 7 7 ? A -17.196 37.975 22.287 1.000 1 A 48.122 1
ATOM 45 C C . HIS 7 7 ? A -17.460 39.152 23.219 1.000 1 A 48.122 1
ATOM 46 O O . HIS 7 7 ? A -17.054 39.130 24.384 1.000 1 A 48.122 1
ATOM 47 C CB . HIS 7 7 ? A -17.567 36.662 22.980 1.000 1 A 48.122 1
ATOM 48 C CG . HIS 7 7 ? A -18.681 35.923 22.310 1.000 1 A 48.122 1
ATOM 49 N ND1 . HIS 7 7 ? A -19.973 36.401 22.271 1.000 1 A 48.122 1
ATOM 50 C CD2 . HIS 7 7 ? A -18.693 34.741 21.650 1.000 1 A 48.122 1
ATOM 51 C CE1 . HIS 7 7 ? A -20.734 35.541 21.614 1.000 1 A 48.122 1
ATOM 52 N NE2 . HIS 7 7 ? A -19.982 34.525 21.227 1.000 1 A 48.122 1
ATOM 53 N N . ARG 8 8 ? A -17.083 40.329 22.850 1.000 1 A 52.605 1
ATOM 54 C CA . ARG 8 8 ? A -17.716 41.403 23.608 1.000 1 A 52.605 1
ATOM 55 C C . ARG 8 8 ? A -18.844 42.046 22.809 1.000 1 A 52.605 1
ATOM 56 O O . ARG 8 8 ? A -18.621 42.552 21.707 1.000 1 A 52.605 1
ATOM 57 C CB . ARG 8 8 ? A -16.685 42.462 24.005 1.000 1 A 52.605 1
ATOM 58 C CG . ARG 8 8 ? A -16.722 42.836 25.478 1.000 1 A 52.605 1
ATOM 59 C CD . ARG 8 8 ? A -15.721 43.936 25.806 1.000 1 A 52.605 1
ATOM 60 N NE . ARG 8 8 ? A -15.540 44.088 27.247 1.000 1 A 52.605 1
ATOM 61 C CZ . ARG 8 8 ? A -14.434 44.544 27.828 1.000 1 A 52.605 1
ATOM 62 N NH1 . ARG 8 8 ? A -13.384 44.903 27.099 1.000 1 A 52.605 1
ATOM 63 N NH2 . ARG 8 8 ? A -14.377 44.642 29.148 1.000 1 A 52.605 1
ATOM 64 N N . GLY 9 9 ? A -19.945 41.395 22.426 1.000 1 A 53.524 1
ATOM 65 C CA . GLY 9 9 ? A -21.027 42.316 22.118 1.000 1 A 53.524 1
ATOM 66 C C . GLY 9 9 ? A -22.336 41.617 21.805 1.000 1 A 53.524 1
ATOM 67 O O . GLY 9 9 ? A -22.341 40.521 21.241 1.000 1 A 53.524 1
ATOM 68 N N . ARG 10 10 ? A -23.321 41.605 22.791 1.000 1 A 52.884 1
ATOM 69 C CA . ARG 10 10 ? A -24.751 41.690 23.068 1.000 1 A 52.884 1
ATOM 70 C C . ARG 10 10 ? A -25.567 41.541 21.788 1.000 1 A 52.884 1
ATOM 71 O O . ARG 10 10 ? A -25.469 42.373 20.883 1.000 1 A 52.884 1
ATOM 72 C CB . ARG 10 10 ? A -25.088 43.016 23.753 1.000 1 A 52.884 1
ATOM 73 C CG . ARG 10 10 ? A -26.344 42.966 24.609 1.000 1 A 52.884 1
ATOM 74 C CD . ARG 10 10 ? A -26.605 44.294 25.306 1.000 1 A 52.884 1
ATOM 75 N NE . ARG 10 10 ? A -27.290 44.107 26.582 1.000 1 A 52.884 1
ATOM 76 C CZ . ARG 10 10 ? A -27.612 45.089 27.420 1.000 1 A 52.884 1
ATOM 77 N NH1 . ARG 10 10 ? A -27.314 46.351 27.133 1.000 1 A 52.884 1
ATOM 78 N NH2 . ARG 10 10 ? A -28.235 44.806 28.555 1.000 1 A 52.884 1
ATOM 79 N N . GLY 11 11 ? A -25.475 40.419 21.100 1.000 1 A 54.813 1
ATOM 80 C CA . GLY 11 11 ? A -26.456 40.097 20.075 1.000 1 A 54.813 1
ATOM 81 C C . GLY 11 11 ? A -26.608 38.605 19.843 1.000 1 A 54.813 1
ATOM 82 O O . GLY 11 11 ? A -25.870 37.804 20.420 1.000 1 A 54.813 1
ATOM 83 N N . PRO 12 12 ? A -27.926 38.158 19.521 1.000 1 A 50.704 1
ATOM 84 C CA . PRO 12 12 ? A -28.319 36.748 19.561 1.000 1 A 50.704 1
ATOM 85 C C . PRO 12 12 ? A -27.290 35.830 18.906 1.000 1 A 50.704 1
ATOM 86 O O . PRO 12 12 ? A -26.509 36.275 18.061 1.000 1 A 50.704 1
ATOM 87 C CB . PRO 12 12 ? A -29.640 36.729 18.786 1.000 1 A 50.704 1
ATOM 88 C CG . PRO 12 12 ? A -29.713 38.066 18.122 1.000 1 A 50.704 1
ATOM 89 C CD . PRO 12 12 ? A -28.581 38.913 18.630 1.000 1 A 50.704 1
ATOM 90 N N . PRO 13 13 ? A -27.025 34.588 19.618 1.000 1 A 50.719 1
ATOM 91 C CA . PRO 13 13 ? A -25.877 33.679 19.608 1.000 1 A 50.719 1
ATOM 92 C C . PRO 13 13 ? A -25.318 33.450 18.205 1.000 1 A 50.719 1
ATOM 93 O O . PRO 13 13 ? A -26.062 33.085 17.292 1.000 1 A 50.719 1
ATOM 94 C CB . PRO 13 13 ? A -26.450 32.382 20.185 1.000 1 A 50.719 1
ATOM 95 C CG . PRO 13 13 ? A -27.918 32.458 19.913 1.000 1 A 50.719 1
ATOM 96 C CD . PRO 13 13 ? A -28.303 33.903 19.779 1.000 1 A 50.719 1
ATOM 97 N N . ALA 14 14 ? A -24.753 34.434 17.536 1.000 1 A 50.479 1
ATOM 98 C CA . ALA 14 14 ? A -23.983 34.096 16.341 1.000 1 A 50.479 1
ATOM 99 C C . ALA 14 14 ? A -23.024 32.941 16.616 1.000 1 A 50.479 1
ATOM 100 O O . ALA 14 14 ? A -22.423 32.867 17.690 1.000 1 A 50.479 1
ATOM 101 C CB . ALA 14 14 ? A -23.214 35.316 15.841 1.000 1 A 50.479 1
ATOM 102 N N . VAL 15 15 ? A -23.502 31.725 16.692 1.000 1 A 53.086 1
ATOM 103 C CA . VAL 15 15 ? A -22.729 30.501 16.510 1.000 1 A 53.086 1
ATOM 104 C C . VAL 15 15 ? A -21.263 30.848 16.261 1.000 1 A 53.086 1
ATOM 105 O O . VAL 15 15 ? A -20.951 31.670 15.396 1.000 1 A 53.086 1
ATOM 106 C CB . VAL 15 15 ? A -23.281 29.649 15.345 1.000 1 A 53.086 1
ATOM 107 C CG1 . VAL 15 15 ? A -22.462 28.371 15.176 1.000 1 A 53.086 1
ATOM 108 C CG2 . VAL 15 15 ? A -24.753 29.317 15.579 1.000 1 A 53.086 1
ATOM 109 N N . CYS 16 16 ? A -20.531 31.194 17.278 1.000 1 A 53.332 1
ATOM 110 C CA . CYS 16 16 ? A -19.077 31.309 17.260 1.000 1 A 53.332 1
ATOM 111 C C . CYS 16 16 ? A -18.470 30.386 16.210 1.000 1 A 53.332 1
ATOM 112 O O . CYS 16 16 ? A -18.835 29.211 16.125 1.000 1 A 53.332 1
ATOM 113 C CB . CYS 16 16 ? A -18.495 30.984 18.635 1.000 1 A 53.332 1
ATOM 114 S SG . CYS 16 16 ? A -16.739 31.375 18.795 1.000 1 A 53.332 1
ATOM 115 N N . ALA 17 17 ? A -18.287 30.813 14.976 1.000 1 A 51.312 1
ATOM 116 C CA . ALA 17 17 ? A -17.543 30.170 13.896 1.000 1 A 51.312 1
ATOM 117 C C . ALA 17 17 ? A -16.367 29.365 14.443 1.000 1 A 51.312 1
ATOM 118 O O . ALA 17 17 ? A -15.716 28.624 13.703 1.000 1 A 51.312 1
ATOM 119 C CB . ALA 17 17 ? A -17.050 31.213 12.895 1.000 1 A 51.312 1
ATOM 120 N N . CYS 18 18 ? A -16.152 29.506 15.837 1.000 1 A 51.667 1
ATOM 121 C CA . CYS 18 18 ? A -15.046 28.677 16.306 1.000 1 A 51.667 1
ATOM 122 C C . CYS 18 18 ? A -15.478 27.223 16.450 1.000 1 A 51.667 1
ATOM 123 O O . CYS 18 18 ? A -14.675 26.310 16.253 1.000 1 A 51.667 1
ATOM 124 C CB . CYS 18 18 ? A -14.516 29.197 17.642 1.000 1 A 51.667 1
ATOM 125 S SG . CYS 18 18 ? A -13.227 30.451 17.476 1.000 1 A 51.667 1
ATOM 126 N N . SER 19 19 ? A -16.855 26.980 16.616 1.000 1 A 47.362 1
ATOM 127 C CA . SER 19 19 ? A -17.327 25.605 16.737 1.000 1 A 47.362 1
ATOM 128 C C . SER 19 19 ? A -17.458 24.943 15.369 1.000 1 A 47.362 1
ATOM 129 O O . SER 19 19 ? A -17.309 23.725 15.246 1.000 1 A 47.362 1
ATOM 130 C CB . SER 19 19 ? A -18.671 25.561 17.464 1.000 1 A 47.362 1
ATOM 131 O OG . SER 19 19 ? A -19.044 26.854 17.910 1.000 1 A 47.362 1
ATOM 132 N N . ALA 20 20 ? A -17.561 25.794 14.265 1.000 1 A 47.076 1
ATOM 133 C CA . ALA 20 20 ? A -17.510 25.236 12.917 1.000 1 A 47.076 1
ATOM 134 C C . ALA 20 20 ? A -16.074 24.927 12.505 1.000 1 A 47.076 1
ATOM 135 O O . ALA 20 20 ? A -15.828 23.990 11.741 1.000 1 A 47.076 1
ATOM 136 C CB . ALA 20 20 ? A -18.152 26.196 11.919 1.000 1 A 47.076 1
ATOM 137 N N . GLY 21 21 ? A -15.021 25.417 13.229 1.000 1 A 44.088 1
ATOM 138 C CA . GLY 21 21 ? A -13.632 25.043 13.015 1.000 1 A 44.088 1
ATOM 139 C C . GLY 21 21 ? A -13.199 23.854 13.852 1.000 1 A 44.088 1
ATOM 140 O O . GLY 21 21 ? A -12.383 23.042 13.410 1.000 1 A 44.088 1
ATOM 141 N N . ARG 22 22 ? A -14.037 23.542 15.003 1.000 1 A 42.611 1
ATOM 142 C CA . ARG 22 22 ? A -13.631 22.404 15.822 1.000 1 A 42.611 1
ATOM 143 C C . ARG 22 22 ? A -14.351 21.132 15.387 1.000 1 A 42.611 1
ATOM 144 O O . ARG 22 22 ? A -13.774 20.043 15.424 1.000 1 A 42.611 1
ATOM 145 C CB . ARG 22 22 ? A -13.905 22.682 17.302 1.000 1 A 42.611 1
ATOM 146 C CG . ARG 22 22 ? A -12.649 22.861 18.138 1.000 1 A 42.611 1
ATOM 147 C CD . ARG 22 22 ? A -12.959 22.870 19.629 1.000 1 A 42.611 1
ATOM 148 N NE . ARG 22 22 ? A -13.167 24.227 20.127 1.000 1 A 42.611 1
ATOM 149 C CZ . ARG 22 22 ? A -12.614 24.722 21.231 1.000 1 A 42.611 1
ATOM 150 N NH1 . ARG 22 22 ? A -11.806 23.977 21.977 1.000 1 A 42.611 1
ATOM 151 N NH2 . ARG 22 22 ? A -12.871 25.970 21.593 1.000 1 A 42.611 1
ATOM 152 N N . LEU 23 23 ? A -15.664 21.354 14.802 1.000 1 A 41.536 1
ATOM 153 C CA . LEU 23 23 ? A -16.290 20.175 14.215 1.000 1 A 41.536 1
ATOM 154 C C . LEU 23 23 ? A -15.736 19.902 12.821 1.000 1 A 41.536 1
ATOM 155 O O . LEU 23 23 ? A -15.777 18.766 12.343 1.000 1 A 41.536 1
ATOM 156 C CB . LEU 23 23 ? A -17.810 20.353 14.147 1.000 1 A 41.536 1
ATOM 157 C CG . LEU 23 23 ? A -18.574 20.155 15.457 1.000 1 A 41.536 1
ATOM 158 C CD1 . LEU 23 23 ? A -19.937 20.836 15.383 1.000 1 A 41.536 1
ATOM 159 C CD2 . LEU 23 23 ? A -18.729 18.670 15.766 1.000 1 A 41.536 1
ATOM 160 N N . GLY 24 24 ? A -15.010 20.914 12.145 1.000 1 A 46.494 1
ATOM 161 C CA . GLY 24 24 ? A -14.148 20.788 10.981 1.000 1 A 46.494 1
ATOM 162 C C . GLY 24 24 ? A -12.745 20.322 11.325 1.000 1 A 46.494 1
ATOM 163 O O . GLY 24 24 ? A -12.098 19.643 10.526 1.000 1 A 46.494 1
ATOM 164 N N . LEU 25 25 ? A -12.339 20.333 12.615 1.000 1 A 46.102 1
ATOM 165 C CA . LEU 25 25 ? A -11.004 19.907 13.020 1.000 1 A 46.102 1
ATOM 166 C C . LEU 25 25 ? A -10.985 18.418 13.351 1.000 1 A 46.102 1
ATOM 167 O O . LEU 25 25 ? A -9.990 17.734 13.101 1.000 1 A 46.102 1
ATOM 168 C CB . LEU 25 25 ? A -10.527 20.716 14.229 1.000 1 A 46.102 1
ATOM 169 C CG . LEU 25 25 ? A -9.534 21.844 13.941 1.000 1 A 46.102 1
ATOM 170 C CD1 . LEU 25 25 ? A -10.187 23.200 14.187 1.000 1 A 46.102 1
ATOM 171 C CD2 . LEU 25 25 ? A -8.282 21.685 14.796 1.000 1 A 46.102 1
ATOM 172 N N . ARG 26 26 ? A -12.205 17.813 13.805 1.000 1 A 47.118 1
ATOM 173 C CA . ARG 26 26 ? A -12.153 16.383 14.091 1.000 1 A 47.118 1
ATOM 174 C C . ARG 26 26 ? A -12.347 15.563 12.820 1.000 1 A 47.118 1
ATOM 175 O O . ARG 26 26 ? A -11.752 14.494 12.668 1.000 1 A 47.118 1
ATOM 176 C CB . ARG 26 26 ? A -13.212 16.003 15.128 1.000 1 A 47.118 1
ATOM 177 C CG . ARG 26 26 ? A -12.741 16.134 16.567 1.000 1 A 47.118 1
ATOM 178 C CD . ARG 26 26 ? A -13.782 15.619 17.551 1.000 1 A 47.118 1
ATOM 179 N NE . ARG 26 26 ? A -13.256 15.561 18.912 1.000 1 A 47.118 1
ATOM 180 C CZ . ARG 26 26 ? A -13.954 15.181 19.978 1.000 1 A 47.118 1
ATOM 181 N NH1 . ARG 26 26 ? A -15.226 14.816 19.862 1.000 1 A 47.118 1
ATOM 182 N NH2 . ARG 26 26 ? A -13.377 15.166 21.171 1.000 1 A 47.118 1
ATOM 183 N N . SER 27 27 ? A -13.180 16.052 11.768 1.000 1 A 53.951 1
ATOM 184 C CA . SER 27 27 ? A -13.111 15.689 10.357 1.000 1 A 53.951 1
ATOM 185 C C . SER 27 27 ? A -11.814 16.179 9.722 1.000 1 A 53.951 1
ATOM 186 O O . SER 27 27 ? A -11.368 15.636 8.709 1.000 1 A 53.951 1
ATOM 187 C CB . SER 27 27 ? A -14.308 16.261 9.596 1.000 1 A 53.951 1
ATOM 188 O OG . SER 27 27 ? A -14.211 17.671 9.494 1.000 1 A 53.951 1
ATOM 189 N N . SER 28 28 ? A -10.777 16.570 10.580 1.000 1 A 71.588 1
ATOM 190 C CA . SER 28 28 ? A -9.519 17.150 10.123 1.000 1 A 71.588 1
ATOM 191 C C . SER 28 28 ? A -8.376 16.147 10.231 1.000 1 A 71.588 1
ATOM 192 O O . SER 28 28 ? A -7.514 16.082 9.353 1.000 1 A 71.588 1
ATOM 193 C CB . SER 28 28 ? A -9.184 18.406 10.928 1.000 1 A 71.588 1
ATOM 194 O OG . SER 28 28 ? A -8.837 18.072 12.261 1.000 1 A 71.588 1
ATOM 195 N N . ALA 29 29 ? A -8.680 15.158 11.240 1.000 1 A 81.206 1
ATOM 196 C CA . ALA 29 29 ? A -7.468 14.350 11.348 1.000 1 A 81.206 1
ATOM 197 C C . ALA 29 29 ? A -7.384 13.332 10.214 1.000 1 A 81.206 1
ATOM 198 O O . ALA 29 29 ? A -6.318 13.135 9.627 1.000 1 A 81.206 1
ATOM 199 C CB . ALA 29 29 ? A -7.420 13.642 12.700 1.000 1 A 81.206 1
ATOM 200 N N . ALA 30 30 ? A -8.599 12.660 9.998 1.000 1 A 85.105 1
ATOM 201 C CA . ALA 30 30 ? A -8.638 11.712 8.888 1.000 1 A 85.105 1
ATOM 202 C C . ALA 30 30 ? A -8.324 12.403 7.565 1.000 1 A 85.105 1
ATOM 203 O O . ALA 30 30 ? A -7.576 11.871 6.741 1.000 1 A 85.105 1
ATOM 204 C CB . ALA 30 30 ? A -10.003 11.031 8.819 1.000 1 A 85.105 1
ATOM 205 N N . GLN 31 31 ? A -8.881 13.608 7.377 1.000 1 A 87.051 1
ATOM 206 C CA . GLN 31 31 ? A -8.634 14.369 6.157 1.000 1 A 87.051 1
ATOM 207 C C . GLN 31 31 ? A -7.168 14.780 6.051 1.000 1 A 87.051 1
ATOM 208 O O . GLN 31 31 ? A -6.578 14.721 4.971 1.000 1 A 87.051 1
ATOM 209 C CB . GLN 31 31 ? A -9.531 15.607 6.105 1.000 1 A 87.051 1
ATOM 210 C CG . GLN 31 31 ? A -11.003 15.291 5.874 1.000 1 A 87.051 1
ATOM 211 C CD . GLN 31 31 ? A -11.887 16.521 5.959 1.000 1 A 87.051 1
ATOM 212 O OE1 . GLN 31 31 ? A -11.689 17.387 6.816 1.000 1 A 87.051 1
ATOM 213 N NE2 . GLN 31 31 ? A -12.871 16.606 5.069 1.000 1 A 87.051 1
ATOM 214 N N . LEU 32 32 ? A -6.718 15.199 7.191 1.000 1 A 88.701 1
ATOM 215 C CA . LEU 32 32 ? A -5.309 15.576 7.211 1.000 1 A 88.701 1
ATOM 216 C C . LEU 32 32 ? A -4.420 14.372 6.914 1.000 1 A 88.701 1
ATOM 217 O O . LEU 32 32 ? A -3.465 14.476 6.141 1.000 1 A 88.701 1
ATOM 218 C CB . LEU 32 32 ? A -4.934 16.178 8.568 1.000 1 A 88.701 1
ATOM 219 C CG . LEU 32 32 ? A -3.523 16.756 8.687 1.000 1 A 88.701 1
ATOM 220 C CD1 . LEU 32 32 ? A -3.427 18.080 7.935 1.000 1 A 88.701 1
ATOM 221 C CD2 . LEU 32 32 ? A -3.141 16.939 10.152 1.000 1 A 88.701 1
ATOM 222 N N . THR 33 33 ? A -4.803 13.286 7.558 1.000 1 A 89.234 1
ATOM 223 C CA . THR 33 33 ? A -4.056 12.060 7.302 1.000 1 A 89.234 1
ATOM 224 C C . THR 33 33 ? A -4.136 11.676 5.828 1.000 1 A 89.234 1
ATOM 225 O O . THR 33 33 ? A -3.120 11.352 5.209 1.000 1 A 89.234 1
ATOM 226 C CB . THR 33 33 ? A -4.576 10.898 8.167 1.000 1 A 89.234 1
ATOM 227 O OG1 . THR 33 33 ? A -4.471 11.255 9.551 1.000 1 A 89.234 1
ATOM 228 C CG2 . THR 33 33 ? A -3.771 9.626 7.921 1.000 1 A 89.234 1
ATOM 229 N N . ALA 34 34 ? A -5.312 11.761 5.305 1.000 1 A 91.901 1
ATOM 230 C CA . ALA 34 34 ? A -5.516 11.418 3.900 1.000 1 A 91.901 1
ATOM 231 C C . ALA 34 34 ? A -4.722 12.349 2.988 1.000 1 A 91.901 1
ATOM 232 O O . ALA 34 34 ? A -4.071 11.896 2.043 1.000 1 A 91.901 1
ATOM 233 C CB . ALA 34 34 ? A -7.000 11.473 3.548 1.000 1 A 91.901 1
ATOM 234 N N . ALA 35 35 ? A -4.786 13.639 3.254 1.000 1 A 91.943 1
ATOM 235 C CA . ALA 35 35 ? A -4.077 14.626 2.445 1.000 1 A 91.943 1
ATOM 236 C C . ALA 35 35 ? A -2.571 14.379 2.473 1.000 1 A 91.943 1
ATOM 237 O O . ALA 35 35 ? A -1.904 14.458 1.439 1.000 1 A 91.943 1
ATOM 238 C CB . ALA 35 35 ? A -4.389 16.039 2.934 1.000 1 A 91.943 1
ATOM 239 N N . ARG 36 36 ? A -2.120 14.047 3.622 1.000 1 A 91.847 1
ATOM 240 C CA . ARG 36 36 ? A -0.691 13.792 3.770 1.000 1 A 91.847 1
ATOM 241 C C . ARG 36 36 ? A -0.286 12.511 3.048 1.000 1 A 91.847 1
ATOM 242 O O . ARG 36 36 ? A 0.732 12.479 2.354 1.000 1 A 91.847 1
ATOM 243 C CB . ARG 36 36 ? A -0.311 13.703 5.249 1.000 1 A 91.847 1
ATOM 244 C CG . ARG 36 36 ? A -0.264 15.048 5.956 1.000 1 A 91.847 1
ATOM 245 C CD . ARG 36 36 ? A 0.150 14.906 7.414 1.000 1 A 91.847 1
ATOM 246 N NE . ARG 36 36 ? A 0.168 16.196 8.097 1.000 1 A 91.847 1
ATOM 247 C CZ . ARG 36 36 ? A 0.381 16.360 9.400 1.000 1 A 91.847 1
ATOM 248 N NH1 . ARG 36 36 ? A 0.600 15.314 10.189 1.000 1 A 91.847 1
ATOM 249 N NH2 . ARG 36 36 ? A 0.376 17.579 9.918 1.000 1 A 91.847 1
ATOM 250 N N . LEU 37 37 ? A -1.048 11.449 3.250 1.000 1 A 94.009 1
ATOM 251 C CA . LEU 37 37 ? A -0.785 10.184 2.572 1.000 1 A 94.009 1
ATOM 252 C C . LEU 37 37 ? A -0.827 10.359 1.058 1.000 1 A 94.009 1
ATOM 253 O O . LEU 37 37 ? A -0.006 9.786 0.339 1.000 1 A 94.009 1
ATOM 254 C CB . LEU 37 37 ? A -1.800 9.123 3.003 1.000 1 A 94.009 1
ATOM 255 C CG . LEU 37 37 ? A -1.543 8.445 4.350 1.000 1 A 94.009 1
ATOM 256 C CD1 . LEU 37 37 ? A -2.744 7.597 4.755 1.000 1 A 94.009 1
ATOM 257 C CD2 . LEU 37 37 ? A -0.278 7.595 4.287 1.000 1 A 94.009 1
ATOM 258 N N . LYS 38 38 ? A -1.749 11.148 0.744 1.000 1 A 94.790 1
ATOM 259 C CA . LYS 38 38 ? A -1.873 11.454 -0.678 1.000 1 A 94.790 1
ATOM 260 C C . LYS 38 38 ? A -0.606 12.118 -1.211 1.000 1 A 94.790 1
ATOM 261 O O . LYS 38 38 ? A -0.082 11.720 -2.253 1.000 1 A 94.790 1
ATOM 262 C CB . LYS 38 38 ? A -3.082 12.356 -0.930 1.000 1 A 94.790 1
ATOM 263 C CG . LYS 38 38 ? A -3.294 12.714 -2.393 1.000 1 A 94.790 1
ATOM 264 C CD . LYS 38 38 ? A -4.495 13.633 -2.576 1.000 1 A 94.790 1
ATOM 265 C CE . LYS 38 38 ? A -4.603 14.136 -4.009 1.000 1 A 94.790 1
ATOM 266 N NZ . LYS 38 38 ? A -5.892 14.850 -4.250 1.000 1 A 94.790 1
ATOM 267 N N . ALA 39 39 ? A -0.178 13.136 -0.602 1.000 1 A 94.992 1
ATOM 268 C CA . ALA 39 39 ? A 1.019 13.869 -1.007 1.000 1 A 94.992 1
ATOM 269 C C . ALA 39 39 ? A 2.237 12.950 -1.047 1.000 1 A 94.992 1
ATOM 270 O O . ALA 39 39 ? A 3.025 12.994 -1.995 1.000 1 A 94.992 1
ATOM 271 C CB . ALA 39 39 ? A 1.271 15.041 -0.062 1.000 1 A 94.992 1
ATOM 272 N N . LEU 40 40 ? A 2.307 12.082 -0.076 1.000 1 A 94.205 1
ATOM 273 C CA . LEU 40 40 ? A 3.440 11.168 0.003 1.000 1 A 94.205 1
ATOM 274 C C . LEU 40 40 ? A 3.390 10.141 -1.123 1.000 1 A 94.205 1
ATOM 275 O O . LEU 40 40 ? A 4.416 9.832 -1.734 1.000 1 A 94.205 1
ATOM 276 C CB . LEU 40 40 ? A 3.461 10.455 1.358 1.000 1 A 94.205 1
ATOM 277 C CG . LEU 40 40 ? A 3.714 11.336 2.583 1.000 1 A 94.205 1
ATOM 278 C CD1 . LEU 40 40 ? A 3.593 10.513 3.862 1.000 1 A 94.205 1
ATOM 279 C CD2 . LEU 40 40 ? A 5.086 11.996 2.494 1.000 1 A 94.205 1
ATOM 280 N N . GLY 41 41 ? A 2.212 9.609 -1.340 1.000 1 A 95.777 1
ATOM 281 C CA . GLY 41 41 ? A 2.048 8.669 -2.437 1.000 1 A 95.777 1
ATOM 282 C C . GLY 41 41 ? A 2.359 9.273 -3.793 1.000 1 A 95.777 1
ATOM 283 O O . GLY 41 41 ? A 3.028 8.648 -4.619 1.000 1 A 95.777 1
ATOM 284 N N . ASP 42 42 ? A 1.929 10.511 -4.023 1.000 1 A 96.595 1
ATOM 285 C CA . ASP 42 42 ? A 2.189 11.203 -5.281 1.000 1 A 96.595 1
ATOM 286 C C . ASP 42 42 ? A 3.684 11.445 -5.477 1.000 1 A 96.595 1
ATOM 287 O O . ASP 42 42 ? A 4.201 11.303 -6.587 1.000 1 A 96.595 1
ATOM 288 C CB . ASP 42 42 ? A 1.431 12.531 -5.330 1.000 1 A 96.595 1
ATOM 289 C CG . ASP 42 42 ? A -0.066 12.354 -5.515 1.000 1 A 96.595 1
ATOM 290 O OD1 . ASP 42 42 ? A -0.504 11.256 -5.922 1.000 1 A 96.595 1
ATOM 291 O OD2 . ASP 42 42 ? A -0.814 13.321 -5.256 1.000 1 A 96.595 1
ATOM 292 N N . GLU 43 43 ? A 4.270 11.833 -4.406 1.000 1 A 95.408 1
ATOM 293 C CA . GLU 43 43 ? A 5.712 12.060 -4.451 1.000 1 A 95.408 1
ATOM 294 C C . GLU 43 43 ? A 6.459 10.785 -4.834 1.000 1 A 95.408 1
ATOM 295 O O . GLU 43 43 ? A 7.387 10.823 -5.644 1.000 1 A 95.408 1
ATOM 296 C CB . GLU 43 43 ? A 6.217 12.581 -3.104 1.000 1 A 95.408 1
ATOM 297 C CG . GLU 43 43 ? A 7.705 12.897 -3.085 1.000 1 A 95.408 1
ATOM 298 C CD . GLU 43 43 ? A 8.190 13.426 -1.745 1.000 1 A 95.408 1
ATOM 299 O OE1 . GLU 43 43 ? A 9.419 13.572 -1.558 1.000 1 A 95.408 1
ATOM 300 O OE2 . GLU 43 43 ? A 7.333 13.695 -0.873 1.000 1 A 95.408 1
ATOM 301 N N . LEU 44 44 ? A 6.038 9.649 -4.204 1.000 1 A 93.673 1
ATOM 302 C CA . LEU 44 44 ? A 6.661 8.367 -4.515 1.000 1 A 93.673 1
ATOM 303 C C . LEU 44 44 ? A 6.482 8.019 -5.989 1.000 1 A 93.673 1
ATOM 304 O O . LEU 44 44 ? A 7.433 7.600 -6.652 1.000 1 A 93.673 1
ATOM 305 C CB . LEU 44 44 ? A 6.069 7.257 -3.641 1.000 1 A 93.673 1
ATOM 306 C CG . LEU 44 44 ? A 6.648 5.856 -3.841 1.000 1 A 93.673 1
ATOM 307 C CD1 . LEU 44 44 ? A 8.083 5.797 -3.329 1.000 1 A 93.673 1
ATOM 308 C CD2 . LEU 44 44 ? A 5.782 4.814 -3.141 1.000 1 A 93.673 1
ATOM 309 N N . HIS 45 45 ? A 5.334 8.166 -6.449 1.000 1 A 94.950 1
ATOM 310 C CA . HIS 45 45 ? A 5.042 7.864 -7.845 1.000 1 A 94.950 1
ATOM 311 C C . HIS 45 45 ? A 5.857 8.750 -8.782 1.000 1 A 94.950 1
ATOM 312 O O . HIS 45 45 ? A 6.443 8.263 -9.751 1.000 1 A 94.950 1
ATOM 313 C CB . HIS 45 45 ? A 3.549 8.033 -8.129 1.000 1 A 94.950 1
ATOM 314 C CG . HIS 45 45 ? A 3.165 7.707 -9.537 1.000 1 A 94.950 1
ATOM 315 N ND1 . HIS 45 45 ? A 3.102 6.414 -10.011 1.000 1 A 94.950 1
ATOM 316 C CD2 . HIS 45 45 ? A 2.821 8.508 -10.574 1.000 1 A 94.950 1
ATOM 317 C CE1 . HIS 45 45 ? A 2.736 6.434 -11.281 1.000 1 A 94.950 1
ATOM 318 N NE2 . HIS 45 45 ? A 2.559 7.693 -11.647 1.000 1 A 94.950 1
ATOM 319 N N . GLN 46 46 ? A 5.887 10.016 -8.539 1.000 1 A 95.328 1
ATOM 320 C CA . GLN 46 46 ? A 6.621 10.969 -9.364 1.000 1 A 95.328 1
ATOM 321 C C . GLN 46 46 ? A 8.113 10.646 -9.383 1.000 1 A 95.328 1
ATOM 322 O O . GLN 46 46 ? A 8.751 10.700 -10.436 1.000 1 A 95.328 1
ATOM 323 C CB . GLN 46 46 ? A 6.400 12.397 -8.862 1.000 1 A 95.328 1
ATOM 324 C CG . GLN 46 46 ? A 5.025 12.960 -9.195 1.000 1 A 95.328 1
ATOM 325 C CD . GLN 46 46 ? A 4.835 14.379 -8.693 1.000 1 A 95.328 1
ATOM 326 O OE1 . GLN 46 46 ? A 5.442 14.786 -7.698 1.000 1 A 95.328 1
ATOM 327 N NE2 . GLN 46 46 ? A 3.989 15.141 -9.378 1.000 1 A 95.328 1
ATOM 328 N N . ARG 47 47 ? A 8.602 10.293 -8.350 1.000 1 A 92.655 1
ATOM 329 C CA . ARG 47 47 ? A 10.020 9.965 -8.247 1.000 1 A 92.655 1
ATOM 330 C C . ARG 47 47 ? A 10.350 8.705 -9.042 1.000 1 A 92.655 1
ATOM 331 O O . ARG 47 47 ? A 11.377 8.645 -9.721 1.000 1 A 92.655 1
ATOM 332 C CB . ARG 47 47 ? A 10.425 9.781 -6.783 1.000 1 A 92.655 1
ATOM 333 C CG . ARG 47 47 ? A 10.674 11.087 -6.044 1.000 1 A 92.655 1
ATOM 334 C CD . ARG 47 47 ? A 11.255 10.848 -4.657 1.000 1 A 92.655 1
ATOM 335 N NE . ARG 47 47 ? A 11.579 12.104 -3.986 1.000 1 A 92.655 1
ATOM 336 C CZ . ARG 47 47 ? A 12.078 12.199 -2.757 1.000 1 A 92.655 1
ATOM 337 N NH1 . ARG 47 47 ? A 12.323 11.109 -2.038 1.000 1 A 92.655 1
ATOM 338 N NH2 . ARG 47 47 ? A 12.336 13.392 -2.242 1.000 1 A 92.655 1
ATOM 339 N N . THR 48 48 ? A 9.472 7.758 -8.777 1.000 1 A 92.103 1
ATOM 340 C CA . THR 48 48 ? A 9.677 6.512 -9.507 1.000 1 A 92.103 1
ATOM 341 C C . THR 48 48 ? A 9.608 6.749 -11.013 1.000 1 A 92.103 1
ATOM 342 O O . THR 48 48 ? A 10.405 6.194 -11.771 1.000 1 A 92.103 1
ATOM 343 C CB . THR 48 48 ? A 8.638 5.450 -9.103 1.000 1 A 92.103 1
ATOM 344 O OG1 . THR 48 48 ? A 8.686 5.257 -7.684 1.000 1 A 92.103 1
ATOM 345 C CG2 . THR 48 48 ? A 8.914 4.119 -9.795 1.000 1 A 92.103 1
ATOM 346 N N . MET 49 49 ? A 8.691 7.544 -11.422 1.000 1 A 92.134 1
ATOM 347 C CA . MET 49 49 ? A 8.559 7.854 -12.843 1.000 1 A 92.134 1
ATOM 348 C C . MET 49 49 ? A 9.785 8.605 -13.352 1.000 1 A 92.134 1
ATOM 349 O O . MET 49 49 ? A 10.249 8.361 -14.468 1.000 1 A 92.134 1
ATOM 350 C CB . MET 49 49 ? A 7.296 8.678 -13.100 1.000 1 A 92.134 1
ATOM 351 C CG . MET 49 49 ? A 6.009 7.876 -12.999 1.000 1 A 92.134 1
ATOM 352 S SD . MET 49 49 ? A 5.880 6.588 -14.300 1.000 1 A 92.134 1
ATOM 353 C CE . MET 49 49 ? A 5.239 7.584 -15.674 1.000 1 A 92.134 1
ATOM 354 N N . TRP 50 50 ? A 10.214 9.508 -12.513 1.000 1 A 91.989 1
ATOM 355 C CA . TRP 50 50 ? A 11.404 10.270 -12.877 1.000 1 A 91.989 1
ATOM 356 C C . TRP 50 50 ? A 12.611 9.352 -13.034 1.000 1 A 91.989 1
ATOM 357 O O . TRP 50 50 ? A 13.391 9.497 -13.978 1.000 1 A 91.989 1
ATOM 358 C CB . TRP 50 50 ? A 11.697 11.345 -11.827 1.000 1 A 91.989 1
ATOM 359 C CG . TRP 50 50 ? A 11.019 12.656 -12.092 1.000 1 A 91.989 1
ATOM 360 C CD1 . TRP 50 50 ? A 9.975 13.199 -11.397 1.000 1 A 91.989 1
ATOM 361 C CD2 . TRP 50 50 ? A 11.337 13.587 -13.131 1.000 1 A 91.989 1
ATOM 362 N NE1 . TRP 50 50 ? A 9.625 14.413 -11.941 1.000 1 A 91.989 1
ATOM 363 C CE2 . TRP 50 50 ? A 10.444 14.674 -13.006 1.000 1 A 91.989 1
ATOM 364 C CE3 . TRP 50 50 ? A 12.292 13.608 -14.157 1.000 1 A 91.989 1
ATOM 365 C CZ2 . TRP 50 50 ? A 10.479 15.772 -13.869 1.000 1 A 91.989 1
ATOM 366 C CZ3 . TRP 50 50 ? A 12.324 14.701 -15.015 1.000 1 A 91.989 1
ATOM 367 C CH2 . TRP 50 50 ? A 11.422 15.767 -14.864 1.000 1 A 91.989 1
ATOM 368 N N . ARG 51 51 ? A 12.792 8.407 -12.175 1.000 1 A 89.161 1
ATOM 369 C CA . ARG 51 51 ? A 13.892 7.450 -12.243 1.000 1 A 89.161 1
ATOM 370 C C . ARG 51 51 ? A 13.812 6.612 -13.514 1.000 1 A 89.161 1
ATOM 371 O O . ARG 51 51 ? A 14.831 6.348 -14.155 1.000 1 A 89.161 1
ATOM 372 C CB . ARG 51 51 ? A 13.890 6.539 -11.013 1.000 1 A 89.161 1
ATOM 373 C CG . ARG 51 51 ? A 14.368 7.221 -9.741 1.000 1 A 89.161 1
ATOM 374 C CD . ARG 51 51 ? A 14.477 6.239 -8.582 1.000 1 A 89.161 1
ATOM 375 N NE . ARG 51 51 ? A 14.600 6.929 -7.301 1.000 1 A 89.161 1
ATOM 376 C CZ . ARG 51 51 ? A 15.371 6.527 -6.295 1.000 1 A 89.161 1
ATOM 377 N NH1 . ARG 51 51 ? A 16.106 5.426 -6.401 1.000 1 A 89.161 1
ATOM 378 N NH2 . ARG 51 51 ? A 15.407 7.231 -5.172 1.000 1 A 89.161 1
ATOM 379 N N . ARG 52 52 ? A 12.661 6.289 -13.789 1.000 1 A 87.058 1
ATOM 380 C CA . ARG 52 52 ? A 12.467 5.490 -14.994 1.000 1 A 87.058 1
ATOM 381 C C . ARG 52 52 ? A 12.821 6.289 -16.244 1.000 1 A 87.058 1
ATOM 382 O O . ARG 52 52 ? A 13.461 5.769 -17.160 1.000 1 A 87.058 1
ATOM 383 C CB . ARG 52 52 ? A 11.024 4.990 -15.083 1.000 1 A 87.058 1
ATOM 384 C CG . ARG 52 52 ? A 10.797 3.952 -16.170 1.000 1 A 87.058 1
ATOM 385 C CD . ARG 52 52 ? A 9.375 3.408 -16.142 1.000 1 A 87.058 1
ATOM 386 N NE . ARG 52 52 ? A 9.210 2.285 -17.061 1.000 1 A 87.058 1
ATOM 387 C CZ . ARG 52 52 ? A 8.038 1.801 -17.464 1.000 1 A 87.058 1
ATOM 388 N NH1 . ARG 52 52 ? A 6.901 2.336 -17.035 1.000 1 A 87.058 1
ATOM 389 N NH2 . ARG 52 52 ? A 8.003 0.775 -18.302 1.000 1 A 87.058 1
ATOM 390 N N . ARG 53 53 ? A 12.342 7.481 -16.257 1.000 1 A 89.068 1
ATOM 391 C CA . ARG 53 53 ? A 12.644 8.344 -17.395 1.000 1 A 89.068 1
ATOM 392 C C . ARG 53 53 ? A 14.145 8.591 -17.511 1.000 1 A 89.068 1
ATOM 393 O O . ARG 53 53 ? A 14.691 8.617 -18.616 1.000 1 A 89.068 1
ATOM 394 C CB . ARG 53 53 ? A 11.902 9.677 -17.271 1.000 1 A 89.068 1
ATOM 395 C CG . ARG 53 53 ? A 10.421 9.590 -17.605 1.000 1 A 89.068 1
ATOM 396 C CD . ARG 53 53 ? A 9.757 10.959 -17.582 1.000 1 A 89.068 1
ATOM 397 N NE . ARG 53 53 ? A 8.315 10.856 -17.374 1.000 1 A 89.068 1
ATOM 398 C CZ . ARG 53 53 ? A 7.574 11.758 -16.736 1.000 1 A 89.068 1
ATOM 399 N NH1 . ARG 53 53 ? A 8.128 12.854 -16.230 1.000 1 A 89.068 1
ATOM 400 N NH2 . ARG 53 53 ? A 6.270 11.563 -16.604 1.000 1 A 89.068 1
ATOM 401 N N . ALA 54 54 ? A 14.722 8.849 -16.375 1.000 1 A 88.356 1
ATOM 402 C CA . ALA 54 54 ? A 16.162 9.089 -16.354 1.000 1 A 88.356 1
ATOM 403 C C . ALA 54 54 ? A 16.929 7.876 -16.871 1.000 1 A 88.356 1
ATOM 404 O O . ALA 54 54 ? A 17.933 8.020 -17.573 1.000 1 A 88.356 1
ATOM 405 C CB . ALA 54 54 ? A 16.622 9.443 -14.942 1.000 1 A 88.356 1
ATOM 406 N N . ARG 55 55 ? A 16.405 6.753 -16.567 1.000 1 A 82.080 1
ATOM 407 C CA . ARG 55 55 ? A 17.052 5.524 -17.016 1.000 1 A 82.080 1
ATOM 408 C C . ARG 55 55 ? A 16.832 5.304 -18.509 1.000 1 A 82.080 1
ATOM 409 O O . ARG 55 55 ? A 17.704 4.770 -19.198 1.000 1 A 82.080 1
ATOM 410 C CB . ARG 55 55 ? A 16.529 4.322 -16.227 1.000 1 A 82.080 1
ATOM 411 C CG . ARG 55 55 ? A 17.051 4.247 -14.801 1.000 1 A 82.080 1
ATOM 412 C CD . ARG 55 55 ? A 16.571 2.990 -14.090 1.000 1 A 82.080 1
ATOM 413 N NE . ARG 55 55 ? A 16.618 3.140 -12.638 1.000 1 A 82.080 1
ATOM 414 C CZ . ARG 55 55 ? A 15.717 2.643 -11.795 1.000 1 A 82.080 1
ATOM 415 N NH1 . ARG 55 55 ? A 14.678 1.949 -12.244 1.000 1 A 82.080 1
ATOM 416 N NH2 . ARG 55 55 ? A 15.857 2.840 -10.492 1.000 1 A 82.080 1
ATOM 417 N N . SER 56 56 ? A 15.673 5.537 -18.923 1.000 1 A 80.842 1
ATOM 418 C CA . SER 56 56 ? A 15.367 5.373 -20.340 1.000 1 A 80.842 1
ATOM 419 C C . SER 56 56 ? A 16.214 6.306 -21.200 1.000 1 A 80.842 1
ATOM 420 O O . SER 56 56 ? A 16.509 5.995 -22.356 1.000 1 A 80.842 1
ATOM 421 C CB . SER 56 56 ? A 13.882 5.633 -20.601 1.000 1 A 80.842 1
ATOM 422 O OG . SER 56 56 ? A 13.547 6.978 -20.304 1.000 1 A 80.842 1
ATOM 423 N N . ARG 57 57 ? A 16.610 7.428 -20.625 1.000 1 A 81.301 1
ATOM 424 C CA . ARG 57 57 ? A 17.427 8.370 -21.383 1.000 1 A 81.301 1
ATOM 425 C C . ARG 57 57 ? A 18.884 7.922 -21.425 1.000 1 A 81.301 1
ATOM 426 O O . ARG 57 57 ? A 19.612 8.245 -22.366 1.000 1 A 81.301 1
ATOM 427 C CB . ARG 57 57 ? A 17.328 9.774 -20.782 1.000 1 A 81.301 1
ATOM 428 C CG . ARG 57 57 ? A 16.038 10.501 -21.125 1.000 1 A 81.301 1
ATOM 429 C CD . ARG 57 57 ? A 16.039 11.930 -20.601 1.000 1 A 81.301 1
ATOM 430 N NE . ARG 57 57 ? A 14.753 12.586 -20.818 1.000 1 A 81.301 1
ATOM 431 C CZ . ARG 57 57 ? A 14.453 13.819 -20.420 1.000 1 A 81.301 1
ATOM 432 N NH1 . ARG 57 57 ? A 15.347 14.558 -19.773 1.000 1 A 81.301 1
ATOM 433 N NH2 . ARG 57 57 ? A 13.251 14.317 -20.670 1.000 1 A 81.301 1
ATOM 434 N N . ARG 58 58 ? A 19.216 7.197 -20.409 1.000 1 A 73.307 1
ATOM 435 C CA . ARG 58 58 ? A 20.584 6.691 -20.439 1.000 1 A 73.307 1
ATOM 436 C C . ARG 58 58 ? A 20.742 5.601 -21.493 1.000 1 A 73.307 1
ATOM 437 O O . ARG 58 58 ? A 20.044 4.585 -21.453 1.000 1 A 73.307 1
ATOM 438 C CB . ARG 58 58 ? A 20.989 6.154 -19.065 1.000 1 A 73.307 1
ATOM 439 C CG . ARG 58 58 ? A 22.493 6.075 -18.853 1.000 1 A 73.307 1
ATOM 440 C CD . ARG 58 58 ? A 22.841 5.705 -17.418 1.000 1 A 73.307 1
ATOM 441 N NE . ARG 58 58 ? A 24.143 6.238 -17.025 1.000 1 A 73.307 1
ATOM 442 C CZ . ARG 58 58 ? A 24.557 6.377 -15.769 1.000 1 A 73.307 1
ATOM 443 N NH1 . ARG 58 58 ? A 23.776 6.023 -14.754 1.000 1 A 73.307 1
ATOM 444 N NH2 . ARG 58 58 ? A 25.761 6.873 -15.524 1.000 1 A 73.307 1
ATOM 445 N N . ALA 59 59 ? A 20.391 5.868 -22.737 1.000 1 A 62.187 1
ATOM 446 C CA . ALA 59 59 ? A 20.741 5.025 -23.878 1.000 1 A 62.187 1
ATOM 447 C C . ALA 59 59 ? A 21.846 4.038 -23.512 1.000 1 A 62.187 1
ATOM 448 O O . ALA 59 59 ? A 22.792 4.390 -22.803 1.000 1 A 62.187 1
ATOM 449 C CB . ALA 59 59 ? A 21.172 5.886 -25.063 1.000 1 A 62.187 1
ATOM 450 N N . PRO 60 60 ? A 21.508 2.762 -23.393 1.000 1 A 59.919 1
ATOM 451 C CA . PRO 60 60 ? A 22.658 1.865 -23.259 1.000 1 A 59.919 1
ATOM 452 C C . PRO 60 60 ? A 23.903 2.390 -23.971 1.000 1 A 59.919 1
ATOM 453 O O . PRO 60 60 ? A 23.807 2.909 -25.086 1.000 1 A 59.919 1
ATOM 454 C CB . PRO 60 60 ? A 22.168 0.565 -23.903 1.000 1 A 59.919 1
ATOM 455 C CG . PRO 60 60 ? A 20.785 0.872 -24.378 1.000 1 A 59.919 1
ATOM 456 C CD . PRO 60 60 ? A 20.503 2.325 -24.119 1.000 1 A 59.919 1
ATOM 457 N N . ALA 61 61 ? A 24.642 3.306 -23.376 1.000 1 A 58.339 1
ATOM 458 C CA . ALA 61 61 ? A 25.941 3.429 -24.031 1.000 1 A 58.339 1
ATOM 459 C C . ALA 61 61 ? A 26.197 2.254 -24.969 1.000 1 A 58.339 1
ATOM 460 O O . ALA 61 61 ? A 25.861 1.111 -24.649 1.000 1 A 58.339 1
ATOM 461 C CB . ALA 61 61 ? A 27.054 3.527 -22.990 1.000 1 A 58.339 1
ATOM 462 N N . PRO 62 62 ? A 26.002 2.388 -26.285 1.000 1 A 54.215 1
ATOM 463 C CA . PRO 62 62 ? A 26.499 1.312 -27.145 1.000 1 A 54.215 1
ATOM 464 C C . PRO 62 62 ? A 27.762 0.653 -26.596 1.000 1 A 54.215 1
ATOM 465 O O . PRO 62 62 ? A 28.772 1.329 -26.382 1.000 1 A 54.215 1
ATOM 466 C CB . PRO 62 62 ? A 26.785 2.022 -28.470 1.000 1 A 54.215 1
ATOM 467 C CG . PRO 62 62 ? A 26.768 3.479 -28.134 1.000 1 A 54.215 1
ATOM 468 C CD . PRO 62 62 ? A 26.389 3.630 -26.688 1.000 1 A 54.215 1
ATOM 469 N N . GLY 63 63 ? A 27.696 -0.009 -25.409 1.000 1 A 53.335 1
ATOM 470 C CA . GLY 63 63 ? A 28.902 -0.822 -25.415 1.000 1 A 53.335 1
ATOM 471 C C . GLY 63 63 ? A 28.639 -2.281 -25.094 1.000 1 A 53.335 1
ATOM 472 O O . GLY 63 63 ? A 28.348 -2.627 -23.948 1.000 1 A 53.335 1
ATOM 473 N N . ALA 64 64 ? A 27.649 -2.962 -25.579 1.000 1 A 53.075 1
ATOM 474 C CA . ALA 64 64 ? A 27.683 -4.419 -25.669 1.000 1 A 53.075 1
ATOM 475 C C . ALA 64 64 ? A 28.970 -4.898 -26.334 1.000 1 A 53.075 1
ATOM 476 O O . ALA 64 64 ? A 29.206 -6.104 -26.448 1.000 1 A 53.075 1
ATOM 477 C CB . ALA 64 64 ? A 26.467 -4.933 -26.437 1.000 1 A 53.075 1
ATOM 478 N N . LEU 65 65 ? A 30.140 -4.241 -26.083 1.000 1 A 57.527 1
ATOM 479 C CA . LEU 65 65 ? A 31.370 -5.006 -26.258 1.000 1 A 57.527 1
ATOM 480 C C . LEU 65 65 ? A 32.326 -4.774 -25.093 1.000 1 A 57.527 1
ATOM 481 O O . LEU 65 65 ? A 33.369 -5.425 -25.002 1.000 1 A 57.527 1
ATOM 482 C CB . LEU 65 65 ? A 32.052 -4.630 -27.577 1.000 1 A 57.527 1
ATOM 483 C CG . LEU 65 65 ? A 31.482 -5.273 -28.842 1.000 1 A 57.527 1
ATOM 484 C CD1 . LEU 65 65 ? A 31.887 -4.469 -30.073 1.000 1 A 57.527 1
ATOM 485 C CD2 . LEU 65 65 ? A 31.951 -6.719 -28.965 1.000 1 A 57.527 1
ATOM 486 N N . PRO 66 66 ? A 32.041 -4.414 -23.768 1.000 1 A 57.716 1
ATOM 487 C CA . PRO 66 66 ? A 33.238 -4.651 -22.958 1.000 1 A 57.716 1
ATOM 488 C C . PRO 66 66 ? A 33.016 -5.701 -21.871 1.000 1 A 57.716 1
ATOM 489 O O . PRO 66 66 ? A 33.936 -6.010 -21.109 1.000 1 A 57.716 1
ATOM 490 C CB . PRO 66 66 ? A 33.525 -3.280 -22.342 1.000 1 A 57.716 1
ATOM 491 C CG . PRO 66 66 ? A 32.187 -2.622 -22.234 1.000 1 A 57.716 1
ATOM 492 C CD . PRO 66 66 ? A 31.167 -3.503 -22.897 1.000 1 A 57.716 1
ATOM 493 N N . THR 67 67 ? A 31.933 -6.467 -21.881 1.000 1 A 62.255 1
ATOM 494 C CA . THR 67 67 ? A 32.019 -7.492 -20.846 1.000 1 A 62.255 1
ATOM 495 C C . THR 67 67 ? A 32.850 -8.678 -21.328 1.000 1 A 62.255 1
ATOM 496 O O . THR 67 67 ? A 33.563 -9.304 -20.541 1.000 1 A 62.255 1
ATOM 497 C CB . THR 67 67 ? A 30.621 -7.979 -20.424 1.000 1 A 62.255 1
ATOM 498 O OG1 . THR 67 67 ? A 29.631 -7.090 -20.955 1.000 1 A 62.255 1
ATOM 499 C CG2 . THR 67 67 ? A 30.488 -8.020 -18.905 1.000 1 A 62.255 1
ATOM 500 N N . TYR 68 68 ? A 32.954 -8.785 -22.637 1.000 1 A 66.537 1
ATOM 501 C CA . TYR 68 68 ? A 33.802 -9.878 -23.097 1.000 1 A 66.537 1
ATOM 502 C C . TYR 68 68 ? A 35.171 -9.362 -23.525 1.000 1 A 66.537 1
ATOM 503 O O . TYR 68 68 ? A 36.059 -10.148 -23.864 1.000 1 A 66.537 1
ATOM 504 C CB . TYR 68 68 ? A 33.138 -10.622 -24.260 1.000 1 A 66.537 1
ATOM 505 C CG . TYR 68 68 ? A 31.654 -10.832 -24.077 1.000 1 A 66.537 1
ATOM 506 C CD1 . TYR 68 68 ? A 31.171 -11.851 -23.260 1.000 1 A 66.537 1
ATOM 507 C CD2 . TYR 68 68 ? A 30.733 -10.013 -24.721 1.000 1 A 66.537 1
ATOM 508 C CE1 . TYR 68 68 ? A 29.805 -12.050 -23.090 1.000 1 A 66.537 1
ATOM 509 C CE2 . TYR 68 68 ? A 29.365 -10.202 -24.558 1.000 1 A 66.537 1
ATOM 510 C CZ . TYR 68 68 ? A 28.911 -11.222 -23.742 1.000 1 A 66.537 1
ATOM 511 O OH . TYR 68 68 ? A 27.558 -11.414 -23.577 1.000 1 A 66.537 1
ATOM 512 N N . TRP 69 69 ? A 35.289 -7.995 -23.560 1.000 1 A 74.646 1
ATOM 513 C CA . TRP 69 69 ? A 36.513 -7.419 -24.107 1.000 1 A 74.646 1
ATOM 514 C C . TRP 69 69 ? A 37.723 -7.818 -23.269 1.000 1 A 74.646 1
ATOM 515 O O . TRP 69 69 ? A 38.766 -8.193 -23.812 1.000 1 A 74.646 1
ATOM 516 C CB . TRP 69 69 ? A 36.406 -5.893 -24.177 1.000 1 A 74.646 1
ATOM 517 C CG . TRP 69 69 ? A 37.583 -5.229 -24.826 1.000 1 A 74.646 1
ATOM 518 C CD1 . TRP 69 69 ? A 38.580 -4.529 -24.204 1.000 1 A 74.646 1
ATOM 519 C CD2 . TRP 69 69 ? A 37.883 -5.199 -26.224 1.000 1 A 74.646 1
ATOM 520 N NE1 . TRP 69 69 ? A 39.483 -4.066 -25.133 1.000 1 A 74.646 1
ATOM 521 C CE2 . TRP 69 69 ? A 39.079 -4.463 -26.379 1.000 1 A 74.646 1
ATOM 522 C CE3 . TRP 69 69 ? A 37.258 -5.725 -27.363 1.000 1 A 74.646 1
ATOM 523 C CZ2 . TRP 69 69 ? A 39.661 -4.240 -27.629 1.000 1 A 74.646 1
ATOM 524 C CZ3 . TRP 69 69 ? A 37.839 -5.501 -28.606 1.000 1 A 74.646 1
ATOM 525 C CH2 . TRP 69 69 ? A 39.029 -4.765 -28.726 1.000 1 A 74.646 1
ATOM 526 N N . PRO 70 70 ? A 37.516 -7.711 -21.868 1.000 1 A 76.512 1
ATOM 527 C CA . PRO 70 70 ? A 38.694 -8.194 -21.144 1.000 1 A 76.512 1
ATOM 528 C C . PRO 70 70 ? A 38.947 -9.685 -21.356 1.000 1 A 76.512 1
ATOM 529 O O . PRO 70 70 ? A 40.100 -10.121 -21.390 1.000 1 A 76.512 1
ATOM 530 C CB . PRO 70 70 ? A 38.355 -7.901 -19.681 1.000 1 A 76.512 1
ATOM 531 C CG . PRO 70 70 ? A 37.033 -7.204 -19.728 1.000 1 A 76.512 1
ATOM 532 C CD . PRO 70 70 ? A 36.545 -7.203 -21.148 1.000 1 A 76.512 1
ATOM 533 N N . TRP 71 71 ? A 37.815 -10.475 -21.519 1.000 1 A 81.142 1
ATOM 534 C CA . TRP 71 71 ? A 37.962 -11.903 -21.781 1.000 1 A 81.142 1
ATOM 535 C C . TRP 71 71 ? A 38.567 -12.145 -23.159 1.000 1 A 81.142 1
ATOM 536 O O . TRP 71 71 ? A 39.440 -13.000 -23.320 1.000 1 A 81.142 1
ATOM 537 C CB . TRP 71 71 ? A 36.609 -12.612 -21.671 1.000 1 A 81.142 1
ATOM 538 C CG . TRP 71 71 ? A 36.342 -13.210 -20.322 1.000 1 A 81.142 1
ATOM 539 C CD1 . TRP 71 71 ? A 35.696 -12.619 -19.273 1.000 1 A 81.142 1
ATOM 540 C CD2 . TRP 71 71 ? A 36.720 -14.516 -19.877 1.000 1 A 81.142 1
ATOM 541 N NE1 . TRP 71 71 ? A 35.649 -13.481 -18.201 1.000 1 A 81.142 1
ATOM 542 C CE2 . TRP 71 71 ? A 36.270 -14.651 -18.545 1.000 1 A 81.142 1
ATOM 543 C CE3 . TRP 71 71 ? A 37.396 -15.588 -20.476 1.000 1 A 81.142 1
ATOM 544 C CZ2 . TRP 71 71 ? A 36.474 -15.816 -17.802 1.000 1 A 81.142 1
ATOM 545 C CZ3 . TRP 71 71 ? A 37.599 -16.746 -19.735 1.000 1 A 81.142 1
ATOM 546 C CH2 . TRP 71 71 ? A 37.138 -16.848 -18.412 1.000 1 A 81.142 1
ATOM 547 N N . LEU 72 72 ? A 38.109 -11.371 -24.176 1.000 1 A 81.979 1
ATOM 548 C CA . LEU 72 72 ? A 38.667 -11.482 -25.519 1.000 1 A 81.979 1
ATOM 549 C C . LEU 72 72 ? A 40.131 -11.054 -25.537 1.000 1 A 81.979 1
ATOM 550 O O . LEU 72 72 ? A 40.956 -11.676 -26.211 1.000 1 A 81.979 1
ATOM 551 C CB . LEU 72 72 ? A 37.862 -10.632 -26.506 1.000 1 A 81.979 1
ATOM 552 C CG . LEU 72 72 ? A 36.542 -11.229 -26.995 1.000 1 A 81.979 1
ATOM 553 C CD1 . LEU 72 72 ? A 35.707 -10.164 -27.699 1.000 1 A 81.979 1
ATOM 554 C CD2 . LEU 72 72 ? A 36.800 -12.412 -27.921 1.000 1 A 81.979 1
ATOM 555 N N . CYS 73 73 ? A 40.475 -10.016 -24.650 1.000 1 A 85.618 1
ATOM 556 C CA . CYS 73 73 ? A 41.857 -9.560 -24.557 1.000 1 A 85.618 1
ATOM 557 C C . CYS 73 73 ? A 42.728 -10.598 -23.859 1.000 1 A 85.618 1
ATOM 558 O O . CYS 73 73 ? A 43.852 -10.863 -24.290 1.000 1 A 85.618 1
ATOM 559 C CB . CYS 73 73 ? A 41.934 -8.231 -23.807 1.000 1 A 85.618 1
ATOM 560 S SG . CYS 73 73 ? A 41.573 -6.792 -24.838 1.000 1 A 85.618 1
ATOM 561 N N . ALA 74 74 ? A 42.132 -11.141 -22.800 1.000 1 A 84.356 1
ATOM 562 C CA . ALA 74 74 ? A 42.866 -12.190 -22.096 1.000 1 A 84.356 1
ATOM 563 C C . ALA 74 74 ? A 43.074 -13.409 -22.990 1.000 1 A 84.356 1
ATOM 564 O O . ALA 74 74 ? A 44.155 -14.001 -23.001 1.000 1 A 84.356 1
ATOM 565 C CB . ALA 74 74 ? A 42.129 -12.589 -20.820 1.000 1 A 84.356 1
ATOM 566 N N . ALA 75 75 ? A 42.025 -13.813 -23.782 1.000 1 A 85.321 1
ATOM 567 C CA . ALA 75 75 ? A 42.123 -14.942 -24.703 1.000 1 A 85.321 1
ATOM 568 C C . ALA 75 75 ? A 43.127 -14.657 -25.816 1.000 1 A 85.321 1
ATOM 569 O O . ALA 75 75 ? A 43.890 -15.540 -26.215 1.000 1 A 85.321 1
ATOM 570 C CB . ALA 75 75 ? A 40.754 -15.266 -25.295 1.000 1 A 85.321 1
ATOM 571 N N . ALA 76 76 ? A 43.145 -13.424 -26.258 1.000 1 A 88.869 1
ATOM 572 C CA . ALA 76 76 ? A 44.094 -13.013 -27.289 1.000 1 A 88.869 1
ATOM 573 C C . ALA 76 76 ? A 45.524 -13.035 -26.758 1.000 1 A 88.869 1
ATOM 574 O O . ALA 76 76 ? A 46.450 -13.439 -27.466 1.000 1 A 88.869 1
ATOM 575 C CB . ALA 76 76 ? A 43.744 -11.621 -27.810 1.000 1 A 88.869 1
ATOM 576 N N . GLN 77 77 ? A 45.734 -12.685 -25.439 1.000 1 A 90.370 1
ATOM 577 C CA . GLN 77 77 ? A 47.064 -12.698 -24.838 1.000 1 A 90.370 1
ATOM 578 C C . GLN 77 77 ? A 47.564 -14.126 -24.639 1.000 1 A 90.370 1
ATOM 579 O O . GLN 77 77 ? A 48.739 -14.416 -24.870 1.000 1 A 90.370 1
ATOM 580 C CB . GLN 77 77 ? A 47.057 -11.953 -23.503 1.000 1 A 90.370 1
ATOM 581 C CG . GLN 77 77 ? A 46.952 -10.440 -23.643 1.000 1 A 90.370 1
ATOM 582 C CD . GLN 77 77 ? A 46.904 -9.729 -22.304 1.000 1 A 90.370 1
ATOM 583 O OE1 . GLN 77 77 ? A 46.441 -10.288 -21.305 1.000 1 A 90.370 1
ATOM 584 N NE2 . GLN 77 77 ? A 47.381 -8.489 -22.274 1.000 1 A 90.370 1
ATOM 585 N N . VAL 78 78 ? A 46.607 -14.965 -24.277 1.000 1 A 90.296 1
ATOM 586 C CA . VAL 78 78 ? A 46.955 -16.368 -24.078 1.000 1 A 90.296 1
ATOM 587 C C . VAL 78 78 ? A 47.285 -17.014 -25.421 1.000 1 A 90.296 1
ATOM 588 O O . VAL 78 78 ? A 48.245 -17.781 -25.530 1.000 1 A 90.296 1
ATOM 589 C CB . VAL 78 78 ? A 45.815 -17.142 -23.379 1.000 1 A 90.296 1
ATOM 590 C CG1 . VAL 78 78 ? A 46.139 -18.633 -23.309 1.000 1 A 90.296 1
ATOM 591 C CG2 . VAL 78 78 ? A 45.568 -16.579 -21.981 1.000 1 A 90.296 1
ATOM 592 N N . ALA 79 79 ? A 46.546 -16.716 -26.476 1.000 1 A 88.662 1
ATOM 593 C CA . ALA 79 79 ? A 46.788 -17.250 -27.814 1.000 1 A 88.662 1
ATOM 594 C C . ALA 79 79 ? A 48.121 -16.758 -28.369 1.000 1 A 88.662 1
ATOM 595 O O . ALA 79 79 ? A 48.861 -17.522 -28.994 1.000 1 A 88.662 1
ATOM 596 C CB . ALA 79 79 ? A 45.649 -16.864 -28.755 1.000 1 A 88.662 1
ATOM 597 N N . ALA 80 80 ? A 48.448 -15.500 -28.095 1.000 1 A 89.137 1
ATOM 598 C CA . ALA 80 80 ? A 49.719 -14.923 -28.523 1.000 1 A 89.137 1
ATOM 599 C C . ALA 80 80 ? A 50.890 -15.571 -27.790 1.000 1 A 89.137 1
ATOM 600 O O . ALA 80 80 ? A 51.930 -15.851 -28.392 1.000 1 A 89.137 1
ATOM 601 C CB . ALA 80 80 ? A 49.722 -13.414 -28.296 1.000 1 A 89.137 1
ATOM 602 N N . LEU 81 81 ? A 50.733 -15.847 -26.517 1.000 1 A 90.587 1
ATOM 603 C CA . LEU 81 81 ? A 51.768 -16.502 -25.725 1.000 1 A 90.587 1
ATOM 604 C C . LEU 81 81 ? A 51.962 -17.948 -26.172 1.000 1 A 90.587 1
ATOM 605 O O . LEU 81 81 ? A 53.095 -18.420 -26.286 1.000 1 A 90.587 1
ATOM 606 C CB . LEU 81 81 ? A 51.412 -16.459 -24.237 1.000 1 A 90.587 1
ATOM 607 C CG . LEU 81 81 ? A 52.554 -16.127 -23.275 1.000 1 A 90.587 1
ATOM 608 C CD1 . LEU 81 81 ? A 52.248 -14.844 -22.511 1.000 1 A 90.587 1
ATOM 609 C CD2 . LEU 81 81 ? A 52.796 -17.285 -22.312 1.000 1 A 90.587 1
ATOM 610 N N . ALA 82 82 ? A 50.865 -18.619 -26.445 1.000 1 A 86.531 1
ATOM 611 C CA . ALA 82 82 ? A 50.925 -19.994 -26.936 1.000 1 A 86.531 1
ATOM 612 C C . ALA 82 82 ? A 51.618 -20.061 -28.294 1.000 1 A 86.531 1
ATOM 613 O O . ALA 82 82 ? A 52.431 -20.956 -28.540 1.000 1 A 86.531 1
ATOM 614 C CB . ALA 82 82 ? A 49.522 -20.588 -27.029 1.000 1 A 86.531 1
ATOM 615 N N . ALA 83 83 ? A 51.255 -19.110 -29.201 1.000 1 A 86.850 1
ATOM 616 C CA . ALA 83 83 ? A 51.885 -19.039 -30.516 1.000 1 A 86.850 1
ATOM 617 C C . ALA 83 83 ? A 53.376 -18.741 -30.395 1.000 1 A 86.850 1
ATOM 618 O O . ALA 83 83 ? A 54.189 -19.296 -31.138 1.000 1 A 86.850 1
ATOM 619 C CB . ALA 83 83 ? A 51.202 -17.979 -31.377 1.000 1 A 86.850 1
ATOM 620 N N . TRP 84 84 ? A 53.787 -17.857 -29.475 1.000 1 A 90.217 1
ATOM 621 C CA . TRP 84 84 ? A 55.183 -17.517 -29.216 1.000 1 A 90.217 1
ATOM 622 C C . TRP 84 84 ? A 55.944 -18.722 -28.673 1.000 1 A 90.217 1
ATOM 623 O O . TRP 84 84 ? A 57.068 -18.997 -29.099 1.000 1 A 90.217 1
ATOM 624 C CB . TRP 84 84 ? A 55.278 -16.351 -28.229 1.000 1 A 90.217 1
ATOM 625 C CG . TRP 84 84 ? A 56.679 -15.881 -27.974 1.000 1 A 90.217 1
ATOM 626 C CD1 . TRP 84 84 ? A 57.439 -15.082 -28.782 1.000 1 A 90.217 1
ATOM 627 C CD2 . TRP 84 84 ? A 57.489 -16.187 -26.835 1.000 1 A 90.217 1
ATOM 628 N NE1 . TRP 84 84 ? A 58.674 -14.872 -28.213 1.000 1 A 90.217 1
ATOM 629 C CE2 . TRP 84 84 ? A 58.730 -15.538 -27.019 1.000 1 A 90.217 1
ATOM 630 C CE3 . TRP 84 84 ? A 57.285 -16.947 -25.676 1.000 1 A 90.217 1
ATOM 631 C CZ2 . TRP 84 84 ? A 59.764 -15.627 -26.084 1.000 1 A 90.217 1
ATOM 632 C CZ3 . TRP 84 84 ? A 58.315 -17.034 -24.747 1.000 1 A 90.217 1
ATOM 633 C CH2 . TRP 84 84 ? A 59.539 -16.377 -24.958 1.000 1 A 90.217 1
ATOM 634 N N . LEU 85 85 ? A 55.367 -19.538 -27.810 1.000 1 A 87.099 1
ATOM 635 C CA . LEU 85 85 ? A 56.012 -20.713 -27.233 1.000 1 A 87.099 1
ATOM 636 C C . LEU 85 85 ? A 56.165 -21.816 -28.275 1.000 1 A 87.099 1
ATOM 637 O O . LEU 85 85 ? A 57.178 -22.517 -28.299 1.000 1 A 87.099 1
ATOM 638 C CB . LEU 85 85 ? A 55.209 -21.232 -26.037 1.000 1 A 87.099 1
ATOM 639 C CG . LEU 85 85 ? A 55.350 -20.446 -24.733 1.000 1 A 87.099 1
ATOM 640 C CD1 . LEU 85 85 ? A 54.278 -20.875 -23.737 1.000 1 A 87.099 1
ATOM 641 C CD2 . LEU 85 85 ? A 56.743 -20.637 -24.142 1.000 1 A 87.099 1
ATOM 642 N N . LEU 86 86 ? A 55.153 -21.948 -29.192 1.000 1 A 85.976 1
ATOM 643 C CA . LEU 86 86 ? A 55.231 -22.960 -30.239 1.000 1 A 85.976 1
ATOM 644 C C . LEU 86 86 ? A 56.254 -22.567 -31.300 1.000 1 A 85.976 1
ATOM 645 O O . LEU 86 86 ? A 56.902 -23.432 -31.894 1.000 1 A 85.976 1
ATOM 646 C CB . LEU 86 86 ? A 53.860 -23.168 -30.887 1.000 1 A 85.976 1
ATOM 647 C CG . LEU 86 86 ? A 52.887 -24.079 -30.138 1.000 1 A 85.976 1
ATOM 648 C CD1 . LEU 86 86 ? A 51.449 -23.637 -30.386 1.000 1 A 85.976 1
ATOM 649 C CD2 . LEU 86 86 ? A 53.085 -25.532 -30.556 1.000 1 A 85.976 1
ATOM 650 N N . GLY 87 87 ? A 56.507 -21.290 -31.626 1.000 1 A 85.592 1
ATOM 651 C CA . GLY 87 87 ? A 57.543 -20.831 -32.538 1.000 1 A 85.592 1
ATOM 652 C C . GLY 87 87 ? A 58.944 -20.999 -31.981 1.000 1 A 85.592 1
ATOM 653 O O . GLY 87 87 ? A 59.884 -21.280 -32.727 1.000 1 A 85.592 1
ATOM 654 N N . ARG 88 88 ? A 59.171 -21.012 -30.667 1.000 1 A 81.219 1
ATOM 655 C CA . ARG 88 88 ? A 60.485 -21.179 -30.055 1.000 1 A 81.219 1
ATOM 656 C C . ARG 88 88 ? A 60.900 -22.646 -30.037 1.000 1 A 81.219 1
ATOM 657 O O . ARG 88 88 ? A 62.088 -22.962 -30.129 1.000 1 A 81.219 1
ATOM 658 C CB . ARG 88 88 ? A 60.491 -20.616 -28.632 1.000 1 A 81.219 1
ATOM 659 C CG . ARG 88 88 ? A 61.228 -19.293 -28.495 1.000 1 A 81.219 1
ATOM 660 C CD . ARG 88 88 ? A 61.440 -18.914 -27.036 1.000 1 A 81.219 1
ATOM 661 N NE . ARG 88 88 ? A 61.955 -17.554 -26.902 1.000 1 A 81.219 1
ATOM 662 C CZ . ARG 88 88 ? A 62.374 -17.011 -25.763 1.000 1 A 81.219 1
ATOM 663 N NH1 . ARG 88 88 ? A 62.348 -17.705 -24.631 1.000 1 A 81.219 1
ATOM 664 N NH2 . ARG 88 88 ? A 62.823 -15.764 -25.754 1.000 1 A 81.219 1
ATOM 665 N N . ARG 89 89 ? A 59.965 -23.608 -29.973 1.000 1 A 73.086 1
ATOM 666 C CA . ARG 89 89 ? A 60.291 -25.031 -29.975 1.000 1 A 73.086 1
ATOM 667 C C . ARG 89 89 ? A 60.662 -25.505 -31.376 1.000 1 A 73.086 1
ATOM 668 O O . ARG 89 89 ? A 61.469 -26.424 -31.532 1.000 1 A 73.086 1
ATOM 669 C CB . ARG 89 89 ? A 59.117 -25.852 -29.437 1.000 1 A 73.086 1
ATOM 670 C CG . ARG 89 89 ? A 59.149 -26.058 -27.931 1.000 1 A 73.086 1
ATOM 671 C CD . ARG 89 89 ? A 57.994 -26.930 -27.457 1.000 1 A 73.086 1
ATOM 672 N NE . ARG 89 89 ? A 58.217 -27.431 -26.104 1.000 1 A 73.086 1
ATOM 673 C CZ . ARG 89 89 ? A 57.316 -28.090 -25.381 1.000 1 A 73.086 1
ATOM 674 N NH1 . ARG 89 89 ? A 56.107 -28.341 -25.870 1.000 1 A 73.086 1
ATOM 675 N NH2 . ARG 89 89 ? A 57.625 -28.501 -24.160 1.000 1 A 73.086 1
ATOM 676 N N . ASN 90 90 ? A 60.244 -24.803 -32.469 1.000 1 A 65.948 1
ATOM 677 C CA . ASN 90 90 ? A 60.601 -25.239 -33.815 1.000 1 A 65.948 1
ATOM 678 C C . ASN 90 90 ? A 61.874 -24.556 -34.306 1.000 1 A 65.948 1
ATOM 679 O O . ASN 90 90 ? A 62.374 -24.869 -35.388 1.000 1 A 65.948 1
ATOM 680 C CB . ASN 90 90 ? A 59.449 -24.977 -34.787 1.000 1 A 65.948 1
ATOM 681 C CG . ASN 90 90 ? A 58.513 -26.162 -34.917 1.000 1 A 65.948 1
ATOM 682 O OD1 . ASN 90 90 ? A 58.909 -27.309 -34.691 1.000 1 A 65.948 1
ATOM 683 N ND2 . ASN 90 90 ? A 57.264 -25.895 -35.280 1.000 1 A 65.948 1
ATOM 684 N N . LEU 91 91 ? A 62.589 -23.723 -33.503 1.000 1 A 52.603 1
ATOM 685 C CA . LEU 91 91 ? A 63.933 -23.296 -33.877 1.000 1 A 52.603 1
ATOM 686 C C . LEU 91 91 ? A 64.988 -24.107 -33.133 1.000 1 A 52.603 1
ATOM 687 O O . LEU 91 91 ? A 66.039 -24.428 -33.693 1.000 1 A 52.603 1
ATOM 688 C CB . LEU 91 91 ? A 64.122 -21.804 -33.587 1.000 1 A 52.603 1
ATOM 689 C CG . LEU 91 91 ? A 63.645 -20.837 -34.672 1.000 1 A 52.603 1
ATOM 690 C CD1 . LEU 91 91 ? A 63.167 -19.531 -34.045 1.000 1 A 52.603 1
ATOM 691 C CD2 . LEU 91 91 ? A 64.757 -20.576 -35.682 1.000 1 A 52.603 1
ATOM 692 N N . MET 1 1 ? B 5.118 -5.659 -25.865 1.000 2 B 37.138 1
ATOM 693 C CA . MET 1 1 ? B 3.662 -5.750 -25.816 1.000 2 B 37.138 1
ATOM 694 C C . MET 1 1 ? B 3.214 -6.730 -24.737 1.000 2 B 37.138 1
ATOM 695 O O . MET 1 1 ? B 3.422 -7.938 -24.865 1.000 2 B 37.138 1
ATOM 696 C CB . MET 1 1 ? B 3.103 -6.177 -27.175 1.000 2 B 37.138 1
ATOM 697 C CG . MET 1 1 ? B 3.225 -5.109 -28.250 1.000 2 B 37.138 1
ATOM 698 S SD . MET 1 1 ? B 1.959 -5.291 -29.567 1.000 2 B 37.138 1
ATOM 699 C CE . MET 1 1 ? B 2.269 -3.777 -30.518 1.000 2 B 37.138 1
ATOM 700 N N . ALA 2 2 ? B 3.480 -6.551 -23.324 1.000 2 B 45.966 1
ATOM 701 C CA . ALA 2 2 ? B 3.255 -7.286 -22.082 1.000 2 B 45.966 1
ATOM 702 C C . ALA 2 2 ? B 1.793 -7.704 -21.950 1.000 2 B 45.966 1
ATOM 703 O O . ALA 2 2 ? B 0.887 -6.926 -22.257 1.000 2 B 45.966 1
ATOM 704 C CB . ALA 2 2 ? B 3.673 -6.442 -20.881 1.000 2 B 45.966 1
ATOM 705 N N . HIS 3 3 ? B 1.364 -8.756 -22.653 1.000 2 B 44.133 1
ATOM 706 C CA . HIS 3 3 ? B 0.193 -9.615 -22.516 1.000 2 B 44.133 1
ATOM 707 C C . HIS 3 3 ? B -0.635 -9.227 -21.296 1.000 2 B 44.133 1
ATOM 708 O O . HIS 3 3 ? B -0.204 -9.426 -20.158 1.000 2 B 44.133 1
ATOM 709 C CB . HIS 3 3 ? B 0.613 -11.083 -22.419 1.000 2 B 44.133 1
ATOM 710 C CG . HIS 3 3 ? B 1.252 -11.607 -23.666 1.000 2 B 44.133 1
ATOM 711 N ND1 . HIS 3 3 ? B 0.679 -11.466 -24.911 1.000 2 B 44.133 1
ATOM 712 C CD2 . HIS 3 3 ? B 2.416 -12.271 -23.857 1.000 2 B 44.133 1
ATOM 713 C CE1 . HIS 3 3 ? B 1.466 -12.022 -25.817 1.000 2 B 44.133 1
ATOM 714 N NE2 . HIS 3 3 ? B 2.526 -12.518 -25.204 1.000 2 B 44.133 1
ATOM 715 N N . ALA 4 4 ? B -1.292 -8.073 -21.259 1.000 2 B 48.156 1
ATOM 716 C CA . ALA 4 4 ? B -2.331 -7.621 -20.338 1.000 2 B 48.156 1
ATOM 717 C C . ALA 4 4 ? B -3.389 -8.701 -20.131 1.000 2 B 48.156 1
ATOM 718 O O . ALA 4 4 ? B -4.210 -8.607 -19.216 1.000 2 B 48.156 1
ATOM 719 C CB . ALA 4 4 ? B -2.980 -6.339 -20.856 1.000 2 B 48.156 1
ATOM 720 N N . GLY 5 5 ? B -3.024 -9.993 -20.256 1.000 2 B 46.136 1
ATOM 721 C CA . GLY 5 5 ? B -4.222 -10.812 -20.160 1.000 2 B 46.136 1
ATOM 722 C C . GLY 5 5 ? B -4.003 -12.102 -19.394 1.000 2 B 46.136 1
ATOM 723 O O . GLY 5 5 ? B -4.962 -12.751 -18.971 1.000 2 B 46.136 1
ATOM 724 N N . ARG 6 6 ? B -3.003 -12.233 -18.445 1.000 2 B 50.587 1
ATOM 725 C CA . ARG 6 6 ? B -3.141 -13.628 -18.036 1.000 2 B 50.587 1
ATOM 726 C C . ARG 6 6 ? B -2.903 -13.786 -16.538 1.000 2 B 50.587 1
ATOM 727 O O . ARG 6 6 ? B -3.370 -14.750 -15.929 1.000 2 B 50.587 1
ATOM 728 C CB . ARG 6 6 ? B -2.170 -14.516 -18.818 1.000 2 B 50.587 1
ATOM 729 C CG . ARG 6 6 ? B -2.833 -15.700 -19.502 1.000 2 B 50.587 1
ATOM 730 C CD . ARG 6 6 ? B -1.850 -16.474 -20.370 1.000 2 B 50.587 1
ATOM 731 N NE . ARG 6 6 ? B -2.523 -17.147 -21.477 1.000 2 B 50.587 1
ATOM 732 C CZ . ARG 6 6 ? B -1.902 -17.740 -22.493 1.000 2 B 50.587 1
ATOM 733 N NH1 . ARG 6 6 ? B -0.576 -17.754 -22.562 1.000 2 B 50.587 1
ATOM 734 N NH2 . ARG 6 6 ? B -2.612 -18.324 -23.447 1.000 2 B 50.587 1
ATOM 735 N N . THR 7 7 ? B -3.410 -12.919 -15.575 1.000 2 B 56.886 1
ATOM 736 C CA . THR 7 7 ? B -3.591 -13.554 -14.275 1.000 2 B 56.886 1
ATOM 737 C C . THR 7 7 ? B -4.085 -12.543 -13.244 1.000 2 B 56.886 1
ATOM 738 O O . THR 7 7 ? B -3.524 -11.453 -13.117 1.000 2 B 56.886 1
ATOM 739 C CB . THR 7 7 ? B -2.282 -14.197 -13.780 1.000 2 B 56.886 1
ATOM 740 O OG1 . THR 7 7 ? B -1.179 -13.356 -14.136 1.000 2 B 56.886 1
ATOM 741 C CG2 . THR 7 7 ? B -2.077 -15.575 -14.402 1.000 2 B 56.886 1
ATOM 742 N N . GLY 8 8 ? B -5.396 -12.227 -13.290 1.000 2 B 69.784 1
ATOM 743 C CA . GLY 8 8 ? B -5.971 -11.495 -12.173 1.000 2 B 69.784 1
ATOM 744 C C . GLY 8 8 ? B -5.536 -12.029 -10.822 1.000 2 B 69.784 1
ATOM 745 O O . GLY 8 8 ? B -5.408 -13.242 -10.640 1.000 2 B 69.784 1
ATOM 746 N N . TYR 9 9 ? B -4.523 -11.441 -10.270 1.000 2 B 82.168 1
ATOM 747 C CA . TYR 9 9 ? B -4.073 -11.736 -8.914 1.000 2 B 82.168 1
ATOM 748 C C . TYR 9 9 ? B -5.215 -11.587 -7.916 1.000 2 B 82.168 1
ATOM 749 O O . TYR 9 9 ? B -6.107 -10.756 -8.103 1.000 2 B 82.168 1
ATOM 750 C CB . TYR 9 9 ? B -2.913 -10.816 -8.520 1.000 2 B 82.168 1
ATOM 751 C CG . TYR 9 9 ? B -1.702 -10.951 -9.411 1.000 2 B 82.168 1
ATOM 752 C CD1 . TYR 9 9 ? B -0.836 -12.035 -9.284 1.000 2 B 82.168 1
ATOM 753 C CD2 . TYR 9 9 ? B -1.420 -9.995 -10.381 1.000 2 B 82.168 1
ATOM 754 C CE1 . TYR 9 9 ? B 0.282 -12.163 -10.101 1.000 2 B 82.168 1
ATOM 755 C CE2 . TYR 9 9 ? B -0.305 -10.112 -11.204 1.000 2 B 82.168 1
ATOM 756 C CZ . TYR 9 9 ? B 0.539 -11.198 -11.057 1.000 2 B 82.168 1
ATOM 757 O OH . TYR 9 9 ? B 1.644 -11.319 -11.869 1.000 2 B 82.168 1
ATOM 758 N N . ASP 10 10 ? B -5.220 -12.599 -7.016 1.000 2 B 90.617 1
ATOM 759 C CA . ASP 10 10 ? B -6.177 -12.530 -5.917 1.000 2 B 90.617 1
ATOM 760 C C . ASP 10 10 ? B -5.792 -11.439 -4.920 1.000 2 B 90.617 1
ATOM 761 O O . ASP 10 10 ? B -4.807 -11.577 -4.192 1.000 2 B 90.617 1
ATOM 762 C CB . ASP 10 10 ? B -6.277 -13.881 -5.206 1.000 2 B 90.617 1
ATOM 763 C CG . ASP 10 10 ? B -7.355 -13.911 -4.137 1.000 2 B 90.617 1
ATOM 764 O OD1 . ASP 10 10 ? B -8.132 -12.938 -4.027 1.000 2 B 90.617 1
ATOM 765 O OD2 . ASP 10 10 ? B -7.426 -14.915 -3.396 1.000 2 B 90.617 1
ATOM 766 N N . ASN 11 11 ? B -6.535 -10.261 -4.983 1.000 2 B 93.531 1
ATOM 767 C CA . ASN 11 11 ? B -6.259 -9.115 -4.123 1.000 2 B 93.531 1
ATOM 768 C C . ASN 11 11 ? B -6.294 -9.501 -2.647 1.000 2 B 93.531 1
ATOM 769 O O . ASN 11 11 ? B -5.548 -8.946 -1.838 1.000 2 B 93.531 1
ATOM 770 C CB . ASN 11 11 ? B -7.253 -7.985 -4.400 1.000 2 B 93.531 1
ATOM 771 C CG . ASN 11 11 ? B -7.027 -7.325 -5.746 1.000 2 B 93.531 1
ATOM 772 O OD1 . ASN 11 11 ? B -5.908 -7.312 -6.265 1.000 2 B 93.531 1
ATOM 773 N ND2 . ASN 11 11 ? B -8.089 -6.774 -6.322 1.000 2 B 93.531 1
ATOM 774 N N . ARG 12 12 ? B -7.088 -10.432 -2.330 1.000 2 B 94.917 1
ATOM 775 C CA . ARG 12 12 ? B -7.176 -10.904 -0.952 1.000 2 B 94.917 1
ATOM 776 C C . ARG 12 12 ? B -5.845 -11.485 -0.487 1.000 2 B 94.917 1
ATOM 777 O O . ARG 12 12 ? B -5.388 -11.193 0.620 1.000 2 B 94.917 1
ATOM 778 C CB . ARG 12 12 ? B -8.283 -11.951 -0.813 1.000 2 B 94.917 1
ATOM 779 C CG . ARG 12 12 ? B -8.490 -12.442 0.611 1.000 2 B 94.917 1
ATOM 780 C CD . ARG 12 12 ? B -9.679 -13.387 0.715 1.000 2 B 94.917 1
ATOM 781 N NE . ARG 12 12 ? B -9.903 -13.823 2.090 1.000 2 B 94.917 1
ATOM 782 C CZ . ARG 12 12 ? B -10.013 -15.091 2.475 1.000 2 B 94.917 1
ATOM 783 N NH1 . ARG 12 12 ? B -9.920 -16.079 1.592 1.000 2 B 94.917 1
ATOM 784 N NH2 . ARG 12 12 ? B -10.216 -15.375 3.753 1.000 2 B 94.917 1
ATOM 785 N N . GLU 13 13 ? B -5.362 -12.320 -1.306 1.000 2 B 93.311 1
ATOM 786 C CA . GLU 13 13 ? B -4.079 -12.942 -0.993 1.000 2 B 93.311 1
ATOM 787 C C . GLU 13 13 ? B -2.978 -11.895 -0.848 1.000 2 B 93.311 1
ATOM 788 O O . GLU 13 13 ? B -2.153 -11.975 0.064 1.000 2 B 93.311 1
ATOM 789 C CB . GLU 13 13 ? B -3.698 -13.960 -2.070 1.000 2 B 93.311 1
ATOM 790 C CG . GLU 13 13 ? B -2.449 -14.766 -1.741 1.000 2 B 93.311 1
ATOM 791 C CD . GLU 13 13 ? B -2.122 -15.819 -2.787 1.000 2 B 93.311 1
ATOM 792 O OE1 . GLU 13 13 ? B -1.125 -16.557 -2.615 1.000 2 B 93.311 1
ATOM 793 O OE2 . GLU 13 13 ? B -2.868 -15.907 -3.788 1.000 2 B 93.311 1
ATOM 794 N N . ILE 14 14 ? B -2.933 -10.942 -1.716 1.000 2 B 94.988 1
ATOM 795 C CA . ILE 14 14 ? B -1.941 -9.873 -1.682 1.000 2 B 94.988 1
ATOM 796 C C . ILE 14 14 ? B -2.044 -9.115 -0.360 1.000 2 B 94.988 1
ATOM 797 O O . ILE 14 14 ? B -1.034 -8.876 0.306 1.000 2 B 94.988 1
ATOM 798 C CB . ILE 14 14 ? B -2.115 -8.902 -2.871 1.000 2 B 94.988 1
ATOM 799 C CG1 . ILE 14 14 ? B -1.848 -9.627 -4.195 1.000 2 B 94.988 1
ATOM 800 C CG2 . ILE 14 14 ? B -1.194 -7.688 -2.716 1.000 2 B 94.988 1
ATOM 801 C CD1 . ILE 14 14 ? B -2.163 -8.794 -5.431 1.000 2 B 94.988 1
ATOM 802 N N . VAL 15 15 ? B -3.203 -8.765 0.071 1.000 2 B 96.805 1
ATOM 803 C CA . VAL 15 15 ? B -3.448 -8.010 1.296 1.000 2 B 96.805 1
ATOM 804 C C . VAL 15 15 ? B -3.026 -8.839 2.507 1.000 2 B 96.805 1
ATOM 805 O O . VAL 15 15 ? B -2.327 -8.343 3.394 1.000 2 B 96.805 1
ATOM 806 C CB . VAL 15 15 ? B -4.933 -7.599 1.422 1.000 2 B 96.805 1
ATOM 807 C CG1 . VAL 15 15 ? B -5.230 -7.073 2.825 1.000 2 B 96.805 1
ATOM 808 C CG2 . VAL 15 15 ? B -5.287 -6.551 0.369 1.000 2 B 96.805 1
ATOM 809 N N . MET 16 16 ? B -3.432 -10.107 2.513 1.000 2 B 95.671 1
ATOM 810 C CA . MET 16 16 ? B -3.137 -10.991 3.638 1.000 2 B 95.671 1
ATOM 811 C C . MET 16 16 ? B -1.631 -11.153 3.822 1.000 2 B 95.671 1
ATOM 812 O O . MET 16 16 ? B -1.124 -11.055 4.941 1.000 2 B 95.671 1
ATOM 813 C CB . MET 16 16 ? B -3.789 -12.359 3.434 1.000 2 B 95.671 1
ATOM 814 C CG . MET 16 16 ? B -5.304 -12.341 3.563 1.000 2 B 95.671 1
ATOM 815 S SD . MET 16 16 ? B -5.861 -11.775 5.217 1.000 2 B 95.671 1
ATOM 816 C CE . MET 16 16 ? B -5.399 -13.214 6.221 1.000 2 B 95.671 1
ATOM 817 N N . LYS 17 17 ? B -0.965 -11.408 2.760 1.000 2 B 95.065 1
ATOM 818 C CA . LYS 17 17 ? B 0.481 -11.598 2.830 1.000 2 B 95.065 1
ATOM 819 C C . LYS 17 17 ? B 1.183 -10.314 3.263 1.000 2 B 95.065 1
ATOM 820 O O . LYS 17 17 ? B 2.149 -10.356 4.027 1.000 2 B 95.065 1
ATOM 821 C CB . LYS 17 17 ? B 1.028 -12.065 1.481 1.000 2 B 95.065 1
ATOM 822 C CG . LYS 17 17 ? B 0.750 -13.529 1.173 1.000 2 B 95.065 1
ATOM 823 C CD . LYS 17 17 ? B 1.529 -14.001 -0.048 1.000 2 B 95.065 1
ATOM 824 C CE . LYS 17 17 ? B 1.319 -15.487 -0.306 1.000 2 B 95.065 1
ATOM 825 N NZ . LYS 17 17 ? B 2.002 -15.934 -1.556 1.000 2 B 95.065 1
ATOM 826 N N . TYR 18 18 ? B 0.699 -9.223 2.739 1.000 2 B 96.669 1
ATOM 827 C CA . TYR 18 18 ? B 1.303 -7.947 3.108 1.000 2 B 96.669 1
ATOM 828 C C . TYR 18 18 ? B 1.113 -7.663 4.593 1.000 2 B 96.669 1
ATOM 829 O O . TYR 18 18 ? B 2.053 -7.252 5.278 1.000 2 B 96.669 1
ATOM 830 C CB . TYR 18 18 ? B 0.703 -6.808 2.278 1.000 2 B 96.669 1
ATOM 831 C CG . TYR 18 18 ? B 1.399 -5.483 2.474 1.000 2 B 96.669 1
ATOM 832 C CD1 . TYR 18 18 ? B 0.830 -4.486 3.263 1.000 2 B 96.669 1
ATOM 833 C CD2 . TYR 18 18 ? B 2.625 -5.224 1.870 1.000 2 B 96.669 1
ATOM 834 C CE1 . TYR 18 18 ? B 1.466 -3.262 3.445 1.000 2 B 96.669 1
ATOM 835 C CE2 . TYR 18 18 ? B 3.270 -4.005 2.045 1.000 2 B 96.669 1
ATOM 836 C CZ . TYR 18 18 ? B 2.684 -3.032 2.834 1.000 2 B 96.669 1
ATOM 837 O OH . TYR 18 18 ? B 3.318 -1.822 3.010 1.000 2 B 96.669 1
ATOM 838 N N . ILE 19 19 ? B -0.068 -7.816 5.135 1.000 2 B 96.966 1
ATOM 839 C CA . ILE 19 19 ? B -0.369 -7.573 6.542 1.000 2 B 96.966 1
ATOM 840 C C . ILE 19 19 ? B 0.461 -8.510 7.417 1.000 2 B 96.966 1
ATOM 841 O O . ILE 19 19 ? B 1.015 -8.090 8.435 1.000 2 B 96.966 1
ATOM 842 C CB . ILE 19 19 ? B -1.874 -7.758 6.837 1.000 2 B 96.966 1
ATOM 843 C CG1 . ILE 19 19 ? B -2.685 -6.616 6.212 1.000 2 B 96.966 1
ATOM 844 C CG2 . ILE 19 19 ? B -2.122 -7.844 8.346 1.000 2 B 96.966 1
ATOM 845 C CD1 . ILE 19 19 ? B -4.193 -6.784 6.344 1.000 2 B 96.966 1
ATOM 846 N N . HIS 20 20 ? B 0.463 -9.761 7.012 1.000 2 B 96.125 1
ATOM 847 C CA . HIS 20 20 ? B 1.285 -10.716 7.748 1.000 2 B 96.125 1
ATOM 848 C C . HIS 20 20 ? B 2.732 -10.244 7.835 1.000 2 B 96.125 1
ATOM 849 O O . HIS 20 20 ? B 3.347 -10.310 8.902 1.000 2 B 96.125 1
ATOM 850 C CB . HIS 20 20 ? B 1.221 -12.096 7.091 1.000 2 B 96.125 1
ATOM 851 C CG . HIS 20 20 ? B 1.941 -13.159 7.858 1.000 2 B 96.125 1
ATOM 852 N ND1 . HIS 20 20 ? B 3.256 -13.491 7.614 1.000 2 B 96.125 1
ATOM 853 C CD2 . HIS 20 20 ? B 1.527 -13.963 8.865 1.000 2 B 96.125 1
ATOM 854 C CE1 . HIS 20 20 ? B 3.621 -14.456 8.441 1.000 2 B 96.125 1
ATOM 855 N NE2 . HIS 20 20 ? B 2.590 -14.761 9.211 1.000 2 B 96.125 1
ATOM 856 N N . TYR 21 21 ? B 3.210 -9.827 6.721 1.000 2 B 96.024 1
ATOM 857 C CA . TYR 21 21 ? B 4.575 -9.317 6.663 1.000 2 B 96.024 1
ATOM 858 C C . TYR 21 21 ? B 4.758 -8.139 7.613 1.000 2 B 96.024 1
ATOM 859 O O . TYR 21 21 ? B 5.711 -8.105 8.394 1.000 2 B 96.024 1
ATOM 860 C CB . TYR 21 21 ? B 4.932 -8.896 5.234 1.000 2 B 96.024 1
ATOM 861 C CG . TYR 21 21 ? B 6.156 -8.016 5.149 1.000 2 B 96.024 1
ATOM 862 C CD1 . TYR 21 21 ? B 6.042 -6.655 4.873 1.000 2 B 96.024 1
ATOM 863 C CD2 . TYR 21 21 ? B 7.428 -8.544 5.342 1.000 2 B 96.024 1
ATOM 864 C CE1 . TYR 21 21 ? B 7.167 -5.841 4.792 1.000 2 B 96.024 1
ATOM 865 C CE2 . TYR 21 21 ? B 8.560 -7.739 5.262 1.000 2 B 96.024 1
ATOM 866 C CZ . TYR 21 21 ? B 8.419 -6.391 4.987 1.000 2 B 96.024 1
ATOM 867 O OH . TYR 21 21 ? B 9.536 -5.590 4.908 1.000 2 B 96.024 1
ATOM 868 N N . LYS 22 22 ? B 3.894 -7.206 7.586 1.000 2 B 96.318 1
ATOM 869 C CA . LYS 22 22 ? B 3.998 -6.011 8.419 1.000 2 B 96.318 1
ATOM 870 C C . LYS 22 22 ? B 3.937 -6.368 9.902 1.000 2 B 96.318 1
ATOM 871 O O . LYS 22 22 ? B 4.694 -5.824 10.708 1.000 2 B 96.318 1
ATOM 872 C CB . LYS 22 22 ? B 2.889 -5.017 8.074 1.000 2 B 96.318 1
ATOM 873 C CG . LYS 22 22 ? B 3.111 -4.271 6.766 1.000 2 B 96.318 1
ATOM 874 C CD . LYS 22 22 ? B 4.322 -3.350 6.847 1.000 2 B 96.318 1
ATOM 875 C CE . LYS 22 22 ? B 4.480 -2.521 5.580 1.000 2 B 96.318 1
ATOM 876 N NZ . LYS 22 22 ? B 5.688 -1.644 5.639 1.000 2 B 96.318 1
ATOM 877 N N . LEU 23 23 ? B 3.102 -7.233 10.262 1.000 2 B 96.732 1
ATOM 878 C CA . LEU 23 23 ? B 2.985 -7.664 11.651 1.000 2 B 96.732 1
ATOM 879 C C . LEU 23 23 ? B 4.222 -8.445 12.083 1.000 2 B 96.732 1
ATOM 880 O O . LEU 23 23 ? B 4.717 -8.265 13.197 1.000 2 B 96.732 1
ATOM 881 C CB . LEU 23 23 ? B 1.732 -8.521 11.843 1.000 2 B 96.732 1
ATOM 882 C CG . LEU 23 23 ? B 0.392 -7.787 11.781 1.000 2 B 96.732 1
ATOM 883 C CD1 . LEU 23 23 ? B -0.761 -8.785 11.805 1.000 2 B 96.732 1
ATOM 884 C CD2 . LEU 23 23 ? B 0.272 -6.796 12.934 1.000 2 B 96.732 1
ATOM 885 N N . SER 24 24 ? B 4.726 -9.307 11.199 1.000 2 B 96.455 1
ATOM 886 C CA . SER 24 24 ? B 5.911 -10.100 11.510 1.000 2 B 96.455 1
ATOM 887 C C . SER 24 24 ? B 7.135 -9.211 11.701 1.000 2 B 96.455 1
ATOM 888 O O . SER 24 24 ? B 8.029 -9.537 12.486 1.000 2 B 96.455 1
ATOM 889 C CB . SER 24 24 ? B 6.179 -11.120 10.402 1.000 2 B 96.455 1
ATOM 890 O OG . SER 24 24 ? B 6.645 -10.477 9.228 1.000 2 B 96.455 1
ATOM 891 N N . GLN 25 25 ? B 7.180 -8.204 10.943 1.000 2 B 95.401 1
ATOM 892 C CA . GLN 25 25 ? B 8.283 -7.257 11.062 1.000 2 B 95.401 1
ATOM 893 C C . GLN 25 25 ? B 8.358 -6.674 12.471 1.000 2 B 95.401 1
ATOM 894 O O . GLN 25 25 ? B 9.443 -6.339 12.952 1.000 2 B 95.401 1
ATOM 895 C CB . GLN 25 25 ? B 8.139 -6.132 10.036 1.000 2 B 95.401 1
ATOM 896 C CG . GLN 25 25 ? B 8.611 -6.509 8.639 1.000 2 B 95.401 1
ATOM 897 C CD . GLN 25 25 ? B 8.662 -5.323 7.695 1.000 2 B 95.401 1
ATOM 898 O OE1 . GLN 25 25 ? B 8.468 -4.175 8.109 1.000 2 B 95.401 1
ATOM 899 N NE2 . GLN 25 25 ? B 8.922 -5.589 6.420 1.000 2 B 95.401 1
ATOM 900 N N . ARG 26 26 ? B 7.235 -6.631 13.145 1.000 2 B 95.214 1
ATOM 901 C CA . ARG 26 26 ? B 7.182 -6.062 14.488 1.000 2 B 95.214 1
ATOM 902 C C . ARG 26 26 ? B 7.204 -7.159 15.548 1.000 2 B 95.214 1
ATOM 903 O O . ARG 26 26 ? B 7.103 -6.875 16.744 1.000 2 B 95.214 1
ATOM 904 C CB . ARG 26 26 ? B 5.932 -5.196 14.656 1.000 2 B 95.214 1
ATOM 905 C CG . ARG 26 26 ? B 5.900 -3.978 13.747 1.000 2 B 95.214 1
ATOM 906 C CD . ARG 26 26 ? B 6.907 -2.923 14.182 1.000 2 B 95.214 1
ATOM 907 N NE . ARG 26 26 ? B 6.740 -1.679 13.436 1.000 2 B 95.214 1
ATOM 908 C CZ . ARG 26 26 ? B 7.360 -0.536 13.719 1.000 2 B 95.214 1
ATOM 909 N NH1 . ARG 26 26 ? B 8.203 -0.458 14.742 1.000 2 B 95.214 1
ATOM 910 N NH2 . ARG 26 26 ? B 7.135 0.536 12.974 1.000 2 B 95.214 1
ATOM 911 N N . GLY 27 27 ? B 7.287 -8.374 15.085 1.000 2 B 96.299 1
ATOM 912 C CA . GLY 27 27 ? B 7.405 -9.495 16.003 1.000 2 B 96.299 1
ATOM 913 C C . GLY 27 27 ? B 6.065 -10.075 16.414 1.000 2 B 96.299 1
ATOM 914 O O . GLY 27 27 ? B 5.968 -10.775 17.424 1.000 2 B 96.299 1
ATOM 915 N N . TYR 28 28 ? B 5.063 -9.622 15.660 1.000 2 B 95.665 1
ATOM 916 C CA . TYR 28 28 ? B 3.739 -10.156 15.958 1.000 2 B 95.665 1
ATOM 917 C C . TYR 28 28 ? B 3.423 -11.356 15.073 1.000 2 B 95.665 1
ATOM 918 O O . TYR 28 28 ? B 3.792 -11.382 13.896 1.000 2 B 95.665 1
ATOM 919 C CB . TYR 28 28 ? B 2.668 -9.076 15.773 1.000 2 B 95.665 1
ATOM 920 C CG . TYR 28 28 ? B 2.819 -7.905 16.714 1.000 2 B 95.665 1
ATOM 921 C CD1 . TYR 28 28 ? B 2.789 -8.088 18.095 1.000 2 B 95.665 1
ATOM 922 C CD2 . TYR 28 28 ? B 2.991 -6.615 16.225 1.000 2 B 95.665 1
ATOM 923 C CE1 . TYR 28 28 ? B 2.925 -7.012 18.966 1.000 2 B 95.665 1
ATOM 924 C CE2 . TYR 28 28 ? B 3.129 -5.532 17.086 1.000 2 B 95.665 1
ATOM 925 C CZ . TYR 28 28 ? B 3.095 -5.740 18.453 1.000 2 B 95.665 1
ATOM 926 O OH . TYR 28 28 ? B 3.230 -4.671 19.311 1.000 2 B 95.665 1
ATOM 927 N N . GLU 29 29 ? B 2.890 -12.366 15.665 1.000 2 B 91.865 1
ATOM 928 C CA . GLU 29 29 ? B 2.411 -13.512 14.898 1.000 2 B 91.865 1
ATOM 929 C C . GLU 29 29 ? B 0.910 -13.415 14.641 1.000 2 B 91.865 1
ATOM 930 O O . GLU 29 29 ? B 0.128 -13.205 15.571 1.000 2 B 91.865 1
ATOM 931 C CB . GLU 29 29 ? B 2.737 -14.819 15.625 1.000 2 B 91.865 1
ATOM 932 C CG . GLU 29 29 ? B 2.478 -16.066 14.792 1.000 2 B 91.865 1
ATOM 933 C CD . GLU 29 29 ? B 2.834 -17.355 15.516 1.000 2 B 91.865 1
ATOM 934 O OE1 . GLU 29 29 ? B 2.506 -18.449 15.003 1.000 2 B 91.865 1
ATOM 935 O OE2 . GLU 29 29 ? B 3.444 -17.270 16.605 1.000 2 B 91.865 1
ATOM 936 N N . TRP 30 30 ? B 0.524 -13.313 13.433 1.000 2 B 89.972 1
ATOM 937 C CA . TRP 30 30 ? B -0.876 -13.211 13.032 1.000 2 B 89.972 1
ATOM 938 C C . TRP 30 30 ? B -1.300 -14.430 12.220 1.000 2 B 89.972 1
ATOM 939 O O . TRP 30 30 ? B -0.645 -14.788 11.238 1.000 2 B 89.972 1
ATOM 940 C CB . TRP 30 30 ? B -1.111 -11.934 12.221 1.000 2 B 89.972 1
ATOM 941 C CG . TRP 30 30 ? B -2.520 -11.773 11.735 1.000 2 B 89.972 1
ATOM 942 C CD1 . TRP 30 30 ? B -3.661 -11.815 12.487 1.000 2 B 89.972 1
ATOM 943 C CD2 . TRP 30 30 ? B -2.937 -11.547 10.385 1.000 2 B 89.972 1
ATOM 944 N NE1 . TRP 30 30 ? B -4.763 -11.629 11.685 1.000 2 B 89.972 1
ATOM 945 C CE2 . TRP 30 30 ? B -4.347 -11.462 10.391 1.000 2 B 89.972 1
ATOM 946 C CE3 . TRP 30 30 ? B -2.254 -11.408 9.169 1.000 2 B 89.972 1
ATOM 947 C CZ2 . TRP 30 30 ? B -5.087 -11.244 9.227 1.000 2 B 89.972 1
ATOM 948 C CZ3 . TRP 30 30 ? B -2.993 -11.191 8.011 1.000 2 B 89.972 1
ATOM 949 C CH2 . TRP 30 30 ? B -4.395 -11.112 8.051 1.000 2 B 89.972 1
ATOM 950 N N . ASP 31 31 ? B -2.346 -15.111 12.700 1.000 2 B 83.855 1
ATOM 951 C CA . ASP 31 31 ? B -2.905 -16.252 11.982 1.000 2 B 83.855 1
ATOM 952 C C . ASP 31 31 ? B -4.161 -15.854 11.211 1.000 2 B 83.855 1
ATOM 953 O O . ASP 31 31 ? B -5.156 -15.437 11.807 1.000 2 B 83.855 1
ATOM 954 C CB . ASP 31 31 ? B -3.222 -17.393 12.951 1.000 2 B 83.855 1
ATOM 955 C CG . ASP 31 31 ? B -3.301 -18.747 12.267 1.000 2 B 83.855 1
ATOM 956 O OD1 . ASP 31 31 ? B -3.149 -18.815 11.029 1.000 2 B 83.855 1
ATOM 957 O OD2 . ASP 31 31 ? B -3.520 -19.755 12.974 1.000 2 B 83.855 1
ATOM 958 N N . ALA 32 32 ? B -3.971 -15.516 9.959 1.000 2 B 71.579 1
ATOM 959 C CA . ALA 32 32 ? B -5.112 -15.140 9.129 1.000 2 B 71.579 1
ATOM 960 C C . ALA 32 32 ? B -6.313 -16.039 9.408 1.000 2 B 71.579 1
ATOM 961 O O . ALA 32 32 ? B -6.223 -17.263 9.284 1.000 2 B 71.579 1
ATOM 962 C CB . ALA 32 32 ? B -4.737 -15.203 7.650 1.000 2 B 71.579 1
ATOM 963 N N . GLY 33 33 ? B -6.732 -16.083 10.684 1.000 2 B 66.663 1
ATOM 964 C CA . GLY 33 33 ? B -7.941 -16.828 10.992 1.000 2 B 66.663 1
ATOM 965 C C . GLY 33 33 ? B -8.869 -16.980 9.801 1.000 2 B 66.663 1
ATOM 966 O O . GLY 33 33 ? B -8.805 -16.193 8.854 1.000 2 B 66.663 1
ATOM 967 N N . ASP 34 34 ? B -8.990 -18.209 9.293 1.000 2 B 54.858 1
ATOM 968 C CA . ASP 34 34 ? B -9.936 -18.628 8.263 1.000 2 B 54.858 1
ATOM 969 C C . ASP 34 34 ? B -10.988 -17.550 8.012 1.000 2 B 54.858 1
ATOM 970 O O . ASP 34 34 ? B -11.915 -17.383 8.808 1.000 2 B 54.858 1
ATOM 971 C CB . ASP 34 34 ? B -10.612 -19.942 8.658 1.000 2 B 54.858 1
ATOM 972 C CG . ASP 34 34 ? B -10.469 -21.024 7.602 1.000 2 B 54.858 1
ATOM 973 O OD1 . ASP 34 34 ? B -9.992 -20.727 6.485 1.000 2 B 54.858 1
ATOM 974 O OD2 . ASP 34 34 ? B -10.838 -22.183 7.888 1.000 2 B 54.858 1
ATOM 975 N N . VAL 35 35 ? B -10.620 -16.271 7.966 1.000 2 B 55.634 1
ATOM 976 C CA . VAL 35 35 ? B -11.549 -15.229 7.542 1.000 2 B 55.634 1
ATOM 977 C C . VAL 35 35 ? B -12.654 -15.840 6.683 1.000 2 B 55.634 1
ATOM 978 O O . VAL 35 35 ? B -13.735 -15.261 6.548 1.000 2 B 55.634 1
ATOM 979 C CB . VAL 35 35 ? B -10.827 -14.107 6.762 1.000 2 B 55.634 1
ATOM 980 C CG1 . VAL 35 35 ? B -11.803 -12.992 6.393 1.000 2 B 55.634 1
ATOM 981 C CG2 . VAL 35 35 ? B -9.662 -13.554 7.581 1.000 2 B 55.634 1
ATOM 982 N N . GLY 36 36 ? B -12.487 -17.159 6.327 1.000 2 B 52.514 1
ATOM 983 C CA . GLY 36 36 ? B -13.577 -17.785 5.596 1.000 2 B 52.514 1
ATOM 984 C C . GLY 36 36 ? B -14.563 -18.505 6.496 1.000 2 B 52.514 1
ATOM 985 O O . GLY 36 36 ? B -15.686 -18.802 6.083 1.000 2 B 52.514 1
ATOM 986 N N . ALA 37 37 ? B -14.306 -18.573 7.817 1.000 2 B 45.439 1
ATOM 987 C CA . ALA 37 37 ? B -15.261 -19.329 8.624 1.000 2 B 45.439 1
ATOM 988 C C . ALA 37 37 ? B -16.162 -18.395 9.426 1.000 2 B 45.439 1
ATOM 989 O O . ALA 37 37 ? B -16.123 -18.392 10.659 1.000 2 B 45.439 1
ATOM 990 C CB . ALA 37 37 ? B -14.526 -20.287 9.558 1.000 2 B 45.439 1
ATOM 991 N N . ALA 38 38 ? B -16.334 -17.103 8.968 1.000 2 B 48.487 1
ATOM 992 C CA . ALA 38 38 ? B -17.374 -16.392 9.707 1.000 2 B 48.487 1
ATOM 993 C C . ALA 38 38 ? B -18.560 -17.307 9.999 1.000 2 B 48.487 1
ATOM 994 O O . ALA 38 38 ? B -18.936 -18.133 9.164 1.000 2 B 48.487 1
ATOM 995 C CB . ALA 38 38 ? B -17.834 -15.162 8.930 1.000 2 B 48.487 1
ATOM 996 N N . PRO 39 39 ? B -18.861 -17.620 11.338 1.000 2 B 45.829 1
ATOM 997 C CA . PRO 39 39 ? B -20.126 -18.266 11.695 1.000 2 B 45.829 1
ATOM 998 C C . PRO 39 39 ? B -21.299 -17.773 10.852 1.000 2 B 45.829 1
ATOM 999 O O . PRO 39 39 ? B -21.355 -16.593 10.495 1.000 2 B 45.829 1
ATOM 1000 C CB . PRO 39 39 ? B -20.313 -17.886 13.166 1.000 2 B 45.829 1
ATOM 1001 C CG . PRO 39 39 ? B -19.181 -16.958 13.468 1.000 2 B 45.829 1
ATOM 1002 C CD . PRO 39 39 ? B -18.348 -16.802 12.228 1.000 2 B 45.829 1
ATOM 1003 N N . PRO 40 40 ? B -21.908 -18.678 9.915 1.000 2 B 45.659 1
ATOM 1004 C CA . PRO 40 40 ? B -23.111 -18.391 9.130 1.000 2 B 45.659 1
ATOM 1005 C C . PRO 40 40 ? B -24.087 -17.472 9.862 1.000 2 B 45.659 1
ATOM 1006 O O . PRO 40 40 ? B -24.524 -17.788 10.972 1.000 2 B 45.659 1
ATOM 1007 C CB . PRO 40 40 ? B -23.727 -19.775 8.908 1.000 2 B 45.659 1
ATOM 1008 C CG . PRO 40 40 ? B -22.876 -20.704 9.711 1.000 2 B 45.659 1
ATOM 1009 C CD . PRO 40 40 ? B -21.766 -19.912 10.341 1.000 2 B 45.659 1
ATOM 1010 N N . GLY 41 41 ? B -23.651 -16.319 10.445 1.000 2 B 45.203 1
ATOM 1011 C CA . GLY 41 41 ? B -24.756 -15.495 10.909 1.000 2 B 45.203 1
ATOM 1012 C C . GLY 41 41 ? B -24.385 -14.032 11.066 1.000 2 B 45.203 1
ATOM 1013 O O . GLY 41 41 ? B -25.219 -13.214 11.459 1.000 2 B 45.203 1
ATOM 1014 N N . ALA 42 42 ? B -23.110 -13.631 10.548 1.000 2 B 45.101 1
ATOM 1015 C CA . ALA 42 42 ? B -22.868 -12.191 10.606 1.000 2 B 45.101 1
ATOM 1016 C C . ALA 42 42 ? B -23.084 -11.543 9.241 1.000 2 B 45.101 1
ATOM 1017 O O . ALA 42 42 ? B -22.565 -12.022 8.230 1.000 2 B 45.101 1
ATOM 1018 C CB . ALA 42 42 ? B -21.454 -11.909 11.107 1.000 2 B 45.101 1
ATOM 1019 N N . ALA 43 43 ? B -24.220 -11.655 8.647 1.000 2 B 40.538 1
ATOM 1020 C CA . ALA 43 43 ? B -24.675 -10.801 7.553 1.000 2 B 40.538 1
ATOM 1021 C C . ALA 43 43 ? B -23.536 -9.934 7.024 1.000 2 B 40.538 1
ATOM 1022 O O . ALA 43 43 ? B -22.737 -9.406 7.800 1.000 2 B 40.538 1
ATOM 1023 C CB . ALA 43 43 ? B -25.838 -9.924 8.012 1.000 2 B 40.538 1
ATOM 1024 N N . PRO 44 44 ? B -22.969 -10.308 5.851 1.000 2 B 48.237 1
ATOM 1025 C CA . PRO 44 44 ? B -22.013 -9.402 5.211 1.000 2 B 48.237 1
ATOM 1026 C C . PRO 44 44 ? B -22.329 -7.931 5.470 1.000 2 B 48.237 1
ATOM 1027 O O . PRO 44 44 ? B -23.493 -7.526 5.409 1.000 2 B 48.237 1
ATOM 1028 C CB . PRO 44 44 ? B -22.151 -9.737 3.723 1.000 2 B 48.237 1
ATOM 1029 C CG . PRO 44 44 ? B -23.200 -10.801 3.667 1.000 2 B 48.237 1
ATOM 1030 C CD . PRO 44 44 ? B -23.715 -11.036 5.058 1.000 2 B 48.237 1
ATOM 1031 N N . ALA 45 45 ? B -22.126 -7.394 6.637 1.000 2 B 52.793 1
ATOM 1032 C CA . ALA 45 45 ? B -22.232 -5.947 6.813 1.000 2 B 52.793 1
ATOM 1033 C C . ALA 45 45 ? B -22.203 -5.228 5.467 1.000 2 B 52.793 1
ATOM 1034 O O . ALA 45 45 ? B -21.473 -5.628 4.558 1.000 2 B 52.793 1
ATOM 1035 C CB . ALA 45 45 ? B -21.107 -5.436 7.710 1.000 2 B 52.793 1
ATOM 1036 N N . PRO 46 46 ? B -23.375 -4.746 4.927 1.000 2 B 53.827 1
ATOM 1037 C CA . PRO 46 46 ? B -23.470 -3.847 3.774 1.000 2 B 53.827 1
ATOM 1038 C C . PRO 46 46 ? B -22.161 -3.115 3.487 1.000 2 B 53.827 1
ATOM 1039 O O . PRO 46 46 ? B -21.450 -2.726 4.418 1.000 2 B 53.827 1
ATOM 1040 C CB . PRO 46 46 ? B -24.568 -2.863 4.184 1.000 2 B 53.827 1
ATOM 1041 C CG . PRO 46 46 ? B -25.055 -3.362 5.506 1.000 2 B 53.827 1
ATOM 1042 C CD . PRO 46 46 ? B -24.140 -4.460 5.968 1.000 2 B 53.827 1
ATOM 1043 N N . GLY 47 47 ? B -21.288 -3.617 2.559 1.000 2 B 58.893 1
ATOM 1044 C CA . GLY 47 47 ? B -20.124 -3.004 1.940 1.000 2 B 58.893 1
ATOM 1045 C C . GLY 47 47 ? B -19.960 -1.539 2.297 1.000 2 B 58.893 1
ATOM 1046 O O . GLY 47 47 ? B -20.944 -0.802 2.385 1.000 2 B 58.893 1
ATOM 1047 N N . ILE 48 48 ? B -19.159 -1.169 3.296 1.000 2 B 62.263 1
ATOM 1048 C CA . ILE 48 48 ? B -18.796 0.151 3.801 1.000 2 B 62.263 1
ATOM 1049 C C . ILE 48 48 ? B -18.790 1.159 2.654 1.000 2 B 62.263 1
ATOM 1050 O O . ILE 48 48 ? B -19.015 2.352 2.866 1.000 2 B 62.263 1
ATOM 1051 C CB . ILE 48 48 ? B -17.420 0.129 4.503 1.000 2 B 62.263 1
ATOM 1052 C CG1 . ILE 48 48 ? B -17.381 -0.974 5.567 1.000 2 B 62.263 1
ATOM 1053 C CG2 . ILE 48 48 ? B -17.106 1.496 5.119 1.000 2 B 62.263 1
ATOM 1054 C CD1 . ILE 48 48 ? B -15.980 -1.313 6.056 1.000 2 B 62.263 1
ATOM 1055 N N . PHE 49 49 ? B -18.604 0.647 1.473 1.000 2 B 61.924 1
ATOM 1056 C CA . PHE 49 49 ? B -18.479 1.628 0.402 1.000 2 B 61.924 1
ATOM 1057 C C . PHE 49 49 ? B -19.749 1.678 -0.438 1.000 2 B 61.924 1
ATOM 1058 O O . PHE 49 49 ? B -19.747 2.221 -1.545 1.000 2 B 61.924 1
ATOM 1059 C CB . PHE 49 49 ? B -17.273 1.305 -0.486 1.000 2 B 61.924 1
ATOM 1060 C CG . PHE 49 49 ? B -15.955 1.348 0.239 1.000 2 B 61.924 1
ATOM 1061 C CD1 . PHE 49 49 ? B -15.392 2.561 0.613 1.000 2 B 61.924 1
ATOM 1062 C CD2 . PHE 49 49 ? B -15.280 0.174 0.546 1.000 2 B 61.924 1
ATOM 1063 C CE1 . PHE 49 49 ? B -14.172 2.604 1.285 1.000 2 B 61.924 1
ATOM 1064 C CE2 . PHE 49 49 ? B -14.061 0.209 1.216 1.000 2 B 61.924 1
ATOM 1065 C CZ . PHE 49 49 ? B -13.508 1.425 1.584 1.000 2 B 61.924 1
ATOM 1066 N N . SER 50 50 ? B -20.888 1.117 0.107 1.000 2 B 61.524 1
ATOM 1067 C CA . SER 50 50 ? B -22.148 1.013 -0.621 1.000 2 B 61.524 1
ATOM 1068 C C . SER 50 50 ? B -22.977 2.285 -0.476 1.000 2 B 61.524 1
ATOM 1069 O O . SER 50 50 ? B -23.911 2.515 -1.246 1.000 2 B 61.524 1
ATOM 1070 C CB . SER 50 50 ? B -22.954 -0.189 -0.128 1.000 2 B 61.524 1
ATOM 1071 O OG . SER 50 50 ? B -23.387 -0.985 -1.218 1.000 2 B 61.524 1
ATOM 1072 N N . SER 51 51 ? B -22.435 3.436 0.035 1.000 2 B 47.107 1
ATOM 1073 C CA . SER 51 51 ? B -23.333 4.586 0.046 1.000 2 B 47.107 1
ATOM 1074 C C . SER 51 51 ? B -22.940 5.604 -1.020 1.000 2 B 47.107 1
ATOM 1075 O O . SER 51 51 ? B -21.872 6.214 -0.940 1.000 2 B 47.107 1
ATOM 1076 C CB . SER 51 51 ? B -23.335 5.253 1.422 1.000 2 B 47.107 1
ATOM 1077 O OG . SER 51 51 ? B -22.194 4.867 2.169 1.000 2 B 47.107 1
ATOM 1078 N N . GLN 52 52 ? B -22.918 5.317 -2.316 1.000 2 B 40.671 1
ATOM 1079 C CA . GLN 52 52 ? B -23.023 6.443 -3.237 1.000 2 B 40.671 1
ATOM 1080 C C . GLN 52 52 ? B -24.385 7.122 -3.124 1.000 2 B 40.671 1
ATOM 1081 O O . GLN 52 52 ? B -25.415 6.512 -3.419 1.000 2 B 40.671 1
ATOM 1082 C CB . GLN 52 52 ? B -22.784 5.984 -4.676 1.000 2 B 40.671 1
ATOM 1083 C CG . GLN 52 52 ? B -21.758 6.823 -5.427 1.000 2 B 40.671 1
ATOM 1084 C CD . GLN 52 52 ? B -21.882 6.692 -6.933 1.000 2 B 40.671 1
ATOM 1085 O OE1 . GLN 52 52 ? B -22.510 5.756 -7.439 1.000 2 B 40.671 1
ATOM 1086 N NE2 . GLN 52 52 ? B -21.284 7.629 -7.661 1.000 2 B 40.671 1
ATOM 1087 N N . PRO 53 53 ? B -24.703 8.057 -2.148 1.000 2 B 37.680 1
ATOM 1088 C CA . PRO 53 53 ? B -25.862 8.918 -2.394 1.000 2 B 37.680 1
ATOM 1089 C C . PRO 53 53 ? B -25.508 10.172 -3.191 1.000 2 B 37.680 1
ATOM 1090 O O . PRO 53 53 ? B -24.464 10.784 -2.953 1.000 2 B 37.680 1
ATOM 1091 C CB . PRO 53 53 ? B -26.336 9.283 -0.984 1.000 2 B 37.680 1
ATOM 1092 C CG . PRO 53 53 ? B -25.215 8.870 -0.086 1.000 2 B 37.680 1
ATOM 1093 C CD . PRO 53 53 ? B -24.059 8.428 -0.937 1.000 2 B 37.680 1
ATOM 1094 N N . GLY 54 54 ? B -25.796 10.309 -4.623 1.000 2 B 31.135 1
ATOM 1095 C CA . GLY 54 54 ? B -26.478 11.458 -5.197 1.000 2 B 31.135 1
ATOM 1096 C C . GLY 54 54 ? B -25.721 12.086 -6.352 1.000 2 B 31.135 1
ATOM 1097 O O . GLY 54 54 ? B -24.596 12.560 -6.179 1.000 2 B 31.135 1
ATOM 1098 N N . HIS 55 55 ? B -25.571 11.464 -7.524 1.000 2 B 30.645 1
ATOM 1099 C CA . HIS 55 55 ? B -25.867 12.035 -8.833 1.000 2 B 30.645 1
ATOM 1100 C C . HIS 55 55 ? B -26.433 13.446 -8.703 1.000 2 B 30.645 1
ATOM 1101 O O . HIS 55 55 ? B -27.463 13.649 -8.057 1.000 2 B 30.645 1
ATOM 1102 C CB . HIS 55 55 ? B -26.848 11.144 -9.597 1.000 2 B 30.645 1
ATOM 1103 C CG . HIS 55 55 ? B -26.451 10.894 -11.017 1.000 2 B 30.645 1
ATOM 1104 N ND1 . HIS 55 55 ? B -25.147 10.986 -11.452 1.000 2 B 30.645 1
ATOM 1105 C CD2 . HIS 55 55 ? B -27.189 10.552 -12.099 1.000 2 B 30.645 1
ATOM 1106 C CE1 . HIS 55 55 ? B -25.100 10.712 -12.745 1.000 2 B 30.645 1
ATOM 1107 N NE2 . HIS 55 55 ? B -26.326 10.445 -13.162 1.000 2 B 30.645 1
ATOM 1108 N N . THR 56 56 ? B -25.669 14.467 -8.371 1.000 2 B 34.633 1
ATOM 1109 C CA . THR 56 56 ? B -26.034 15.754 -8.952 1.000 2 B 34.633 1
ATOM 1110 C C . THR 56 56 ? B -25.665 15.805 -10.432 1.000 2 B 34.633 1
ATOM 1111 O O . THR 56 56 ? B -24.567 15.397 -10.817 1.000 2 B 34.633 1
ATOM 1112 C CB . THR 56 56 ? B -25.350 16.916 -8.209 1.000 2 B 34.633 1
ATOM 1113 O OG1 . THR 56 56 ? B -24.062 16.489 -7.749 1.000 2 B 34.633 1
ATOM 1114 C CG2 . THR 56 56 ? B -26.180 17.370 -7.013 1.000 2 B 34.633 1
ATOM 1115 N N . PRO 57 57 ? B -26.688 15.840 -11.373 1.000 2 B 41.907 1
ATOM 1116 C CA . PRO 57 57 ? B -26.513 16.009 -12.818 1.000 2 B 41.907 1
ATOM 1117 C C . PRO 57 57 ? B -25.848 17.335 -13.180 1.000 2 B 41.907 1
ATOM 1118 O O . PRO 57 57 ? B -26.202 18.379 -12.627 1.000 2 B 41.907 1
ATOM 1119 C CB . PRO 57 57 ? B -27.945 15.953 -13.355 1.000 2 B 41.907 1
ATOM 1120 C CG . PRO 57 57 ? B -28.813 16.048 -12.142 1.000 2 B 41.907 1
ATOM 1121 C CD . PRO 57 57 ? B -27.935 16.274 -10.945 1.000 2 B 41.907 1
ATOM 1122 N N . HIS 58 58 ? B -24.568 17.416 -13.256 1.000 2 B 35.499 1
ATOM 1123 C CA . HIS 58 58 ? B -24.010 18.492 -14.067 1.000 2 B 35.499 1
ATOM 1124 C C . HIS 58 58 ? B -24.102 18.166 -15.554 1.000 2 B 35.499 1
ATOM 1125 O O . HIS 58 58 ? B -23.711 17.076 -15.980 1.000 2 B 35.499 1
ATOM 1126 C CB . HIS 58 58 ? B -22.555 18.758 -13.677 1.000 2 B 35.499 1
ATOM 1127 C CG . HIS 58 58 ? B -22.320 20.133 -13.137 1.000 2 B 35.499 1
ATOM 1128 N ND1 . HIS 58 58 ? B -22.668 21.273 -13.828 1.000 2 B 35.499 1
ATOM 1129 C CD2 . HIS 58 58 ? B -21.775 20.548 -11.969 1.000 2 B 35.499 1
ATOM 1130 C CE1 . HIS 58 58 ? B -22.344 22.333 -13.106 1.000 2 B 35.499 1
ATOM 1131 N NE2 . HIS 58 58 ? B -21.801 21.921 -11.974 1.000 2 B 35.499 1
ATOM 1132 N N . PRO 59 59 ? B -24.847 19.134 -16.384 1.000 2 B 39.434 1
ATOM 1133 C CA . PRO 59 59 ? B -25.005 19.291 -17.832 1.000 2 B 39.434 1
ATOM 1134 C C . PRO 59 59 ? B -23.828 20.019 -18.478 1.000 2 B 39.434 1
ATOM 1135 O O . PRO 59 59 ? B -23.169 20.833 -17.827 1.000 2 B 39.434 1
ATOM 1136 C CB . PRO 59 59 ? B -26.291 20.111 -17.960 1.000 2 B 39.434 1
ATOM 1137 C CG . PRO 59 59 ? B -26.396 20.860 -16.671 1.000 2 B 39.434 1
ATOM 1138 C CD . PRO 59 59 ? B -25.250 20.455 -15.789 1.000 2 B 39.434 1
ATOM 1139 N N . ALA 60 60 ? B -23.083 19.404 -19.537 1.000 2 B 33.533 1
ATOM 1140 C CA . ALA 60 60 ? B -22.884 19.784 -20.933 1.000 2 B 33.533 1
ATOM 1141 C C . ALA 60 60 ? B -21.414 20.078 -21.218 1.000 2 B 33.533 1
ATOM 1142 O O . ALA 60 60 ? B -20.805 20.925 -20.560 1.000 2 B 33.533 1
ATOM 1143 C CB . ALA 60 60 ? B -23.743 20.998 -21.282 1.000 2 B 33.533 1
ATOM 1144 N N . ALA 61 61 ? B -20.692 19.134 -21.761 1.000 2 B 40.414 1
ATOM 1145 C CA . ALA 61 61 ? B -19.850 19.485 -22.901 1.000 2 B 40.414 1
ATOM 1146 C C . ALA 61 61 ? B -19.344 18.235 -23.615 1.000 2 B 40.414 1
ATOM 1147 O O . ALA 61 61 ? B -18.821 17.318 -22.978 1.000 2 B 40.414 1
ATOM 1148 C CB . ALA 61 61 ? B -18.676 20.349 -22.449 1.000 2 B 40.414 1
ATOM 1149 N N . SER 62 62 ? B -20.049 17.685 -24.580 1.000 2 B 35.805 1
ATOM 1150 C CA . SER 62 62 ? B -19.979 17.466 -26.021 1.000 2 B 35.805 1
ATOM 1151 C C . SER 62 62 ? B -18.555 17.144 -26.463 1.000 2 B 35.805 1
ATOM 1152 O O . SER 62 62 ? B -17.652 17.971 -26.316 1.000 2 B 35.805 1
ATOM 1153 C CB . SER 62 62 ? B -20.490 18.694 -26.776 1.000 2 B 35.805 1
ATOM 1154 O OG . SER 62 62 ? B -19.533 19.739 -26.743 1.000 2 B 35.805 1
ATOM 1155 N N . ARG 63 63 ? B -18.159 15.931 -26.557 1.000 2 B 41.427 1
ATOM 1156 C CA . ARG 63 63 ? B -17.386 15.491 -27.714 1.000 2 B 41.427 1
ATOM 1157 C C . ARG 63 63 ? B -17.677 14.031 -28.044 1.000 2 B 41.427 1
ATOM 1158 O O . ARG 63 63 ? B -17.622 13.168 -27.166 1.000 2 B 41.427 1
ATOM 1159 C CB . ARG 63 63 ? B -15.888 15.684 -27.465 1.000 2 B 41.427 1
ATOM 1160 C CG . ARG 63 63 ? B -15.260 16.779 -28.311 1.000 2 B 41.427 1
ATOM 1161 C CD . ARG 63 63 ? B -13.766 16.909 -28.046 1.000 2 B 41.427 1
ATOM 1162 N NE . ARG 63 63 ? B -13.173 17.995 -28.823 1.000 2 B 41.427 1
ATOM 1163 C CZ . ARG 63 63 ? B -12.212 18.803 -28.385 1.000 2 B 41.427 1
ATOM 1164 N NH1 . ARG 63 63 ? B -11.713 18.662 -27.162 1.000 2 B 41.427 1
ATOM 1165 N NH2 . ARG 63 63 ? B -11.745 19.758 -29.175 1.000 2 B 41.427 1
ATOM 1166 N N . ASP 64 64 ? B -18.591 13.746 -28.982 1.000 2 B 42.504 1
ATOM 1167 C CA . ASP 64 64 ? B -18.925 13.044 -30.218 1.000 2 B 42.504 1
ATOM 1168 C C . ASP 64 64 ? B -18.036 11.818 -30.411 1.000 2 B 42.504 1
ATOM 1169 O O . ASP 64 64 ? B -16.827 11.878 -30.178 1.000 2 B 42.504 1
ATOM 1170 C CB . ASP 64 64 ? B -18.794 13.983 -31.419 1.000 2 B 42.504 1
ATOM 1171 C CG . ASP 64 64 ? B -20.043 14.811 -31.663 1.000 2 B 42.504 1
ATOM 1172 O OD1 . ASP 64 64 ? B -21.146 14.386 -31.256 1.000 2 B 42.504 1
ATOM 1173 O OD2 . ASP 64 64 ? B -19.924 15.897 -32.271 1.000 2 B 42.504 1
ATOM 1174 N N . PRO 65 65 ? B -18.528 10.831 -31.217 1.000 2 B 46.361 1
ATOM 1175 C CA . PRO 65 65 ? B -18.701 9.378 -31.289 1.000 2 B 46.361 1
ATOM 1176 C C . PRO 65 65 ? B -17.839 8.734 -32.373 1.000 2 B 46.361 1
ATOM 1177 O O . PRO 65 65 ? B -17.505 9.383 -33.368 1.000 2 B 46.361 1
ATOM 1178 C CB . PRO 65 65 ? B -20.189 9.216 -31.607 1.000 2 B 46.361 1
ATOM 1179 C CG . PRO 65 65 ? B -20.520 10.375 -32.491 1.000 2 B 46.361 1
ATOM 1180 C CD . PRO 65 65 ? B -19.313 11.265 -32.582 1.000 2 B 46.361 1
ATOM 1181 N N . VAL 66 66 ? B -17.120 7.643 -31.986 1.000 2 B 43.575 1
ATOM 1182 C CA . VAL 66 66 ? B -16.796 6.598 -32.952 1.000 2 B 43.575 1
ATOM 1183 C C . VAL 66 66 ? B -17.261 5.243 -32.422 1.000 2 B 43.575 1
ATOM 1184 O O . VAL 66 66 ? B -16.946 4.871 -31.290 1.000 2 B 43.575 1
ATOM 1185 C CB . VAL 66 66 ? B -15.282 6.559 -33.259 1.000 2 B 43.575 1
ATOM 1186 C CG1 . VAL 66 66 ? B -14.956 5.422 -34.226 1.000 2 B 43.575 1
ATOM 1187 C CG2 . VAL 66 66 ? B -14.819 7.899 -33.828 1.000 2 B 43.575 1
ATOM 1188 N N . ALA 67 67 ? B -18.489 4.765 -32.712 1.000 2 B 35.288 1
ATOM 1189 C CA . ALA 67 67 ? B -19.040 3.699 -33.545 1.000 2 B 35.288 1
ATOM 1190 C C . ALA 67 67 ? B -18.288 2.389 -33.327 1.000 2 B 35.288 1
ATOM 1191 O O . ALA 67 67 ? B -17.081 2.311 -33.567 1.000 2 B 35.288 1
ATOM 1192 C CB . ALA 67 67 ? B -18.993 4.097 -35.018 1.000 2 B 35.288 1
ATOM 1193 N N . ARG 68 68 ? B -18.726 1.519 -32.442 1.000 2 B 42.480 1
ATOM 1194 C CA . ARG 68 68 ? B -18.644 0.127 -32.870 1.000 2 B 42.480 1
ATOM 1195 C C . ARG 68 68 ? B -19.587 -0.753 -32.057 1.000 2 B 42.480 1
ATOM 1196 O O . ARG 68 68 ? B -19.636 -0.651 -30.829 1.000 2 B 42.480 1
ATOM 1197 C CB . ARG 68 68 ? B -17.209 -0.390 -32.746 1.000 2 B 42.480 1
ATOM 1198 C CG . ARG 68 68 ? B -16.394 -0.258 -34.023 1.000 2 B 42.480 1
ATOM 1199 C CD . ARG 68 68 ? B -15.065 -0.993 -33.923 1.000 2 B 42.480 1
ATOM 1200 N NE . ARG 68 68 ? B -13.986 -0.102 -33.505 1.000 2 B 42.480 1
ATOM 1201 C CZ . ARG 68 68 ? B -12.938 -0.471 -32.774 1.000 2 B 42.480 1
ATOM 1202 N NH1 . ARG 68 68 ? B -12.806 -1.727 -32.365 1.000 2 B 42.480 1
ATOM 1203 N NH2 . ARG 68 68 ? B -12.015 0.422 -32.450 1.000 2 B 42.480 1
ATOM 1204 N N . THR 69 69 ? B -20.815 -1.051 -32.538 1.000 2 B 38.401 1
ATOM 1205 C CA . THR 69 69 ? B -21.620 -2.218 -32.884 1.000 2 B 38.401 1
ATOM 1206 C C . THR 69 69 ? B -21.513 -3.289 -31.803 1.000 2 B 38.401 1
ATOM 1207 O O . THR 69 69 ? B -20.411 -3.638 -31.374 1.000 2 B 38.401 1
ATOM 1208 C CB . THR 69 69 ? B -21.191 -2.809 -34.240 1.000 2 B 38.401 1
ATOM 1209 O OG1 . THR 69 69 ? B -20.114 -2.031 -34.775 1.000 2 B 38.401 1
ATOM 1210 C CG2 . THR 69 69 ? B -22.349 -2.804 -35.233 1.000 2 B 38.401 1
ATOM 1211 N N . SER 70 70 ? B -22.474 -3.408 -31.003 1.000 2 B 32.751 1
ATOM 1212 C CA . SER 70 70 ? B -23.327 -4.507 -30.561 1.000 2 B 32.751 1
ATOM 1213 C C . SER 70 70 ? B -22.903 -5.826 -31.198 1.000 2 B 32.751 1
ATOM 1214 O O . SER 70 70 ? B -22.763 -5.915 -32.419 1.000 2 B 32.751 1
ATOM 1215 C CB . SER 70 70 ? B -24.791 -4.217 -30.896 1.000 2 B 32.751 1
ATOM 1216 O OG . SER 70 70 ? B -25.625 -4.492 -29.784 1.000 2 B 32.751 1
ATOM 1217 N N . PRO 71 71 ? B -22.774 -6.930 -30.425 1.000 2 B 39.728 1
ATOM 1218 C CA . PRO 71 71 ? B -23.631 -8.104 -30.609 1.000 2 B 39.728 1
ATOM 1219 C C . PRO 71 71 ? B -24.248 -8.594 -29.301 1.000 2 B 39.728 1
ATOM 1220 O O . PRO 71 71 ? B -23.608 -8.528 -28.249 1.000 2 B 39.728 1
ATOM 1221 C CB . PRO 71 71 ? B -22.675 -9.150 -31.187 1.000 2 B 39.728 1
ATOM 1222 C CG . PRO 71 71 ? B -21.316 -8.715 -30.740 1.000 2 B 39.728 1
ATOM 1223 C CD . PRO 71 71 ? B -21.455 -7.433 -29.970 1.000 2 B 39.728 1
ATOM 1224 N N . LEU 72 72 ? B -25.581 -8.471 -29.089 1.000 2 B 37.718 1
ATOM 1225 C CA . LEU 72 72 ? B -26.733 -9.343 -28.884 1.000 2 B 37.718 1
ATOM 1226 C C . LEU 72 72 ? B -26.337 -10.809 -29.026 1.000 2 B 37.718 1
ATOM 1227 O O . LEU 72 72 ? B -25.768 -11.207 -30.045 1.000 2 B 37.718 1
ATOM 1228 C CB . LEU 72 72 ? B -27.845 -9.004 -29.880 1.000 2 B 37.718 1
ATOM 1229 C CG . LEU 72 72 ? B -29.152 -8.479 -29.283 1.000 2 B 37.718 1
ATOM 1230 C CD1 . LEU 72 72 ? B -29.396 -7.040 -29.727 1.000 2 B 37.718 1
ATOM 1231 C CD2 . LEU 72 72 ? B -30.321 -9.373 -29.683 1.000 2 B 37.718 1
ATOM 1232 N N . GLN 73 73 ? B -26.104 -11.643 -27.936 1.000 2 B 42.337 1
ATOM 1233 C CA . GLN 73 73 ? B -26.408 -13.070 -27.921 1.000 2 B 42.337 1
ATOM 1234 C C . GLN 73 73 ? B -26.602 -13.576 -26.495 1.000 2 B 42.337 1
ATOM 1235 O O . GLN 73 73 ? B -25.778 -13.307 -25.618 1.000 2 B 42.337 1
ATOM 1236 C CB . GLN 73 73 ? B -25.298 -13.863 -28.613 1.000 2 B 42.337 1
ATOM 1237 C CG . GLN 73 73 ? B -25.515 -14.048 -30.109 1.000 2 B 42.337 1
ATOM 1238 C CD . GLN 73 73 ? B -24.420 -14.869 -30.763 1.000 2 B 42.337 1
ATOM 1239 O OE1 . GLN 73 73 ? B -23.798 -15.722 -30.122 1.000 2 B 42.337 1
ATOM 1240 N NE2 . GLN 73 73 ? B -24.175 -14.617 -32.045 1.000 2 B 42.337 1
ATOM 1241 N N . THR 74 74 ? B -27.834 -13.883 -26.011 1.000 2 B 37.856 1
ATOM 1242 C CA . THR 74 74 ? B -28.762 -14.965 -25.702 1.000 2 B 37.856 1
ATOM 1243 C C . THR 74 74 ? B -28.549 -15.470 -24.278 1.000 2 B 37.856 1
ATOM 1244 O O . THR 74 74 ? B -27.412 -15.675 -23.850 1.000 2 B 37.856 1
ATOM 1245 C CB . THR 74 74 ? B -28.606 -16.134 -26.692 1.000 2 B 37.856 1
ATOM 1246 O OG1 . THR 74 74 ? B -27.566 -15.825 -27.628 1.000 2 B 37.856 1
ATOM 1247 C CG2 . THR 74 74 ? B -29.903 -16.385 -27.455 1.000 2 B 37.856 1
ATOM 1248 N N . PRO 75 75 ? B -29.678 -15.737 -23.479 1.000 2 B 48.256 1
ATOM 1249 C CA . PRO 75 75 ? B -29.941 -16.346 -22.173 1.000 2 B 48.256 1
ATOM 1250 C C . PRO 75 75 ? B -30.134 -17.859 -22.255 1.000 2 B 48.256 1
ATOM 1251 O O . PRO 75 75 ? B -30.786 -18.353 -23.178 1.000 2 B 48.256 1
ATOM 1252 C CB . PRO 75 75 ? B -31.229 -15.656 -21.716 1.000 2 B 48.256 1
ATOM 1253 C CG . PRO 75 75 ? B -31.802 -15.054 -22.958 1.000 2 B 48.256 1
ATOM 1254 C CD . PRO 75 75 ? B -30.942 -15.456 -24.122 1.000 2 B 48.256 1
ATOM 1255 N N . ALA 76 76 ? B -29.125 -18.765 -21.803 1.000 2 B 39.043 1
ATOM 1256 C CA . ALA 76 76 ? B -29.427 -20.161 -21.499 1.000 2 B 39.043 1
ATOM 1257 C C . ALA 76 76 ? B -28.414 -20.741 -20.516 1.000 2 B 39.043 1
ATOM 1258 O O . ALA 76 76 ? B -27.203 -20.619 -20.718 1.000 2 B 39.043 1
ATOM 1259 C CB . ALA 76 76 ? B -29.455 -20.991 -22.780 1.000 2 B 39.043 1
ATOM 1260 N N . ALA 77 77 ? B -28.650 -20.832 -19.170 1.000 2 B 40.394 1
ATOM 1261 C CA . ALA 77 77 ? B -28.738 -21.897 -18.174 1.000 2 B 40.394 1
ATOM 1262 C C . ALA 77 77 ? B -27.536 -21.869 -17.234 1.000 2 B 40.394 1
ATOM 1263 O O . ALA 77 77 ? B -26.406 -21.632 -17.667 1.000 2 B 40.394 1
ATOM 1264 C CB . ALA 77 77 ? B -28.844 -23.257 -18.858 1.000 2 B 40.394 1
ATOM 1265 N N . PRO 78 78 ? B -27.714 -21.991 -15.857 1.000 2 B 48.452 1
ATOM 1266 C CA . PRO 78 78 ? B -26.818 -21.787 -14.716 1.000 2 B 48.452 1
ATOM 1267 C C . PRO 78 78 ? B -25.891 -22.976 -14.474 1.000 2 B 48.452 1
ATOM 1268 O O . PRO 78 78 ? B -26.358 -24.110 -14.339 1.000 2 B 48.452 1
ATOM 1269 C CB . PRO 78 78 ? B -27.782 -21.597 -13.542 1.000 2 B 48.452 1
ATOM 1270 C CG . PRO 78 78 ? B -29.057 -22.236 -13.987 1.000 2 B 48.452 1
ATOM 1271 C CD . PRO 78 78 ? B -28.862 -22.775 -15.375 1.000 2 B 48.452 1
ATOM 1272 N N . GLY 79 79 ? B -24.815 -23.171 -15.288 1.000 2 B 42.200 1
ATOM 1273 C CA . GLY 79 79 ? B -23.694 -24.057 -15.015 1.000 2 B 42.200 1
ATOM 1274 C C . GLY 79 79 ? B -22.577 -23.384 -14.240 1.000 2 B 42.200 1
ATOM 1275 O O . GLY 79 79 ? B -22.214 -22.242 -14.529 1.000 2 B 42.200 1
ATOM 1276 N N . ALA 80 80 ? B -22.697 -23.208 -12.924 1.000 2 B 44.992 1
ATOM 1277 C CA . ALA 80 80 ? B -21.714 -23.334 -11.852 1.000 2 B 44.992 1
ATOM 1278 C C . ALA 80 80 ? B -20.296 -23.143 -12.383 1.000 2 B 44.992 1
ATOM 1279 O O . ALA 80 80 ? B -19.748 -24.031 -13.041 1.000 2 B 44.992 1
ATOM 1280 C CB . ALA 80 80 ? B -21.844 -24.693 -11.168 1.000 2 B 44.992 1
ATOM 1281 N N . ALA 81 81 ? B -20.113 -22.135 -13.341 1.000 2 B 43.947 1
ATOM 1282 C CA . ALA 81 81 ? B -18.881 -21.621 -13.933 1.000 2 B 43.947 1
ATOM 1283 C C . ALA 81 81 ? B -17.808 -21.409 -12.868 1.000 2 B 43.947 1
ATOM 1284 O O . ALA 81 81 ? B -18.035 -20.707 -11.880 1.000 2 B 43.947 1
ATOM 1285 C CB . ALA 81 81 ? B -19.151 -20.317 -14.678 1.000 2 B 43.947 1
ATOM 1286 N N . ALA 82 82 ? B -17.241 -22.417 -12.328 1.000 2 B 47.442 1
ATOM 1287 C CA . ALA 82 82 ? B -15.834 -22.564 -11.963 1.000 2 B 47.442 1
ATOM 1288 C C . ALA 82 82 ? B -15.044 -21.304 -12.308 1.000 2 B 47.442 1
ATOM 1289 O O . ALA 82 82 ? B -14.880 -20.970 -13.484 1.000 2 B 47.442 1
ATOM 1290 C CB . ALA 82 82 ? B -15.227 -23.777 -12.663 1.000 2 B 47.442 1
ATOM 1291 N N . GLY 83 83 ? B -15.497 -20.136 -11.858 1.000 2 B 50.342 1
ATOM 1292 C CA . GLY 83 83 ? B -14.779 -18.872 -11.823 1.000 2 B 50.342 1
ATOM 1293 C C . GLY 83 83 ? B -13.302 -19.015 -12.142 1.000 2 B 50.342 1
ATOM 1294 O O . GLY 83 83 ? B -12.737 -20.103 -12.015 1.000 2 B 50.342 1
ATOM 1295 N N . PRO 84 84 ? B -12.848 -18.416 -13.286 1.000 2 B 53.070 1
ATOM 1296 C CA . PRO 84 84 ? B -11.424 -18.345 -13.621 1.000 2 B 53.070 1
ATOM 1297 C C . PRO 84 84 ? B -10.521 -18.527 -12.402 1.000 2 B 53.070 1
ATOM 1298 O O . PRO 84 84 ? B -10.812 -17.992 -11.329 1.000 2 B 53.070 1
ATOM 1299 C CB . PRO 84 84 ? B -11.270 -16.940 -14.209 1.000 2 B 53.070 1
ATOM 1300 C CG . PRO 84 84 ? B -12.618 -16.312 -14.055 1.000 2 B 53.070 1
ATOM 1301 C CD . PRO 84 84 ? B -13.547 -17.321 -13.444 1.000 2 B 53.070 1
ATOM 1302 N N . ALA 85 85 ? B -10.151 -19.724 -11.988 1.000 2 B 56.198 1
ATOM 1303 C CA . ALA 85 85 ? B -9.115 -20.132 -11.043 1.000 2 B 56.198 1
ATOM 1304 C C . ALA 85 85 ? B -8.077 -19.028 -10.857 1.000 2 B 56.198 1
ATOM 1305 O O . ALA 85 85 ? B -7.522 -18.519 -11.833 1.000 2 B 56.198 1
ATOM 1306 C CB . ALA 85 85 ? B -8.441 -21.418 -11.514 1.000 2 B 56.198 1
ATOM 1307 N N . LEU 86 86 ? B -8.391 -17.962 -10.159 1.000 2 B 56.880 1
ATOM 1308 C CA . LEU 86 86 ? B -7.410 -16.975 -9.720 1.000 2 B 56.880 1
ATOM 1309 C C . LEU 86 86 ? B -6.061 -17.633 -9.449 1.000 2 B 56.880 1
ATOM 1310 O O . LEU 86 86 ? B -6.002 -18.728 -8.884 1.000 2 B 56.880 1
ATOM 1311 C CB . LEU 86 86 ? B -7.901 -16.254 -8.462 1.000 2 B 56.880 1
ATOM 1312 C CG . LEU 86 86 ? B -9.143 -15.376 -8.625 1.000 2 B 56.880 1
ATOM 1313 C CD1 . LEU 86 86 ? B -9.699 -14.986 -7.259 1.000 2 B 56.880 1
ATOM 1314 C CD2 . LEU 86 86 ? B -8.818 -14.136 -9.450 1.000 2 B 56.880 1
ATOM 1315 N N . SER 87 87 ? B -5.109 -17.499 -10.322 1.000 2 B 62.251 1
ATOM 1316 C CA . SER 87 87 ? B -3.722 -17.936 -10.208 1.000 2 B 62.251 1
ATOM 1317 C C . SER 87 87 ? B -3.054 -17.340 -8.973 1.000 2 B 62.251 1
ATOM 1318 O O . SER 87 87 ? B -3.323 -16.193 -8.608 1.000 2 B 62.251 1
ATOM 1319 C CB . SER 87 87 ? B -2.933 -17.551 -11.460 1.000 2 B 62.251 1
ATOM 1320 O OG . SER 87 87 ? B -1.636 -18.120 -11.432 1.000 2 B 62.251 1
ATOM 1321 N N . PRO 88 88 ? B -2.450 -18.271 -8.185 1.000 2 B 67.954 1
ATOM 1322 C CA . PRO 88 88 ? B -1.624 -17.783 -7.078 1.000 2 B 67.954 1
ATOM 1323 C C . PRO 88 88 ? B -0.718 -16.623 -7.484 1.000 2 B 67.954 1
ATOM 1324 O O . PRO 88 88 ? B -0.324 -16.522 -8.649 1.000 2 B 67.954 1
ATOM 1325 C CB . PRO 88 88 ? B -0.798 -19.011 -6.686 1.000 2 B 67.954 1
ATOM 1326 C CG . PRO 88 88 ? B -0.998 -19.979 -7.807 1.000 2 B 67.954 1
ATOM 1327 C CD . PRO 88 88 ? B -2.126 -19.486 -8.668 1.000 2 B 67.954 1
ATOM 1328 N N . VAL 89 89 ? B -0.846 -15.439 -6.800 1.000 2 B 62.944 1
ATOM 1329 C CA . VAL 89 89 ? B -0.008 -14.261 -6.992 1.000 2 B 62.944 1
ATOM 1330 C C . VAL 89 89 ? B 1.461 -14.675 -7.053 1.000 2 B 62.944 1
ATOM 1331 O O . VAL 89 89 ? B 1.949 -15.386 -6.172 1.000 2 B 62.944 1
ATOM 1332 C CB . VAL 89 89 ? B -0.222 -13.222 -5.868 1.000 2 B 62.944 1
ATOM 1333 C CG1 . VAL 89 89 ? B 0.677 -12.005 -6.078 1.000 2 B 62.944 1
ATOM 1334 C CG2 . VAL 89 89 ? B -1.690 -12.802 -5.804 1.000 2 B 62.944 1
ATOM 1335 N N . PRO 90 90 ? B 2.109 -14.358 -8.169 1.000 2 B 78.792 1
ATOM 1336 C CA . PRO 90 90 ? B 3.548 -14.626 -8.220 1.000 2 B 78.792 1
ATOM 1337 C C . PRO 90 90 ? B 4.308 -13.991 -7.058 1.000 2 B 78.792 1
ATOM 1338 O O . PRO 90 90 ? B 3.959 -12.895 -6.612 1.000 2 B 78.792 1
ATOM 1339 C CB . PRO 90 90 ? B 3.975 -14.009 -9.554 1.000 2 B 78.792 1
ATOM 1340 C CG . PRO 90 90 ? B 2.707 -13.872 -10.334 1.000 2 B 78.792 1
ATOM 1341 C CD . PRO 90 90 ? B 1.565 -13.738 -9.369 1.000 2 B 78.792 1
ATOM 1342 N N . PRO 91 91 ? B 5.136 -14.711 -6.397 1.000 2 B 85.393 1
ATOM 1343 C CA . PRO 91 91 ? B 5.949 -14.258 -5.266 1.000 2 B 85.393 1
ATOM 1344 C C . PRO 91 91 ? B 6.620 -12.911 -5.523 1.000 2 B 85.393 1
ATOM 1345 O O . PRO 91 91 ? B 6.838 -12.137 -4.588 1.000 2 B 85.393 1
ATOM 1346 C CB . PRO 91 91 ? B 6.993 -15.368 -5.115 1.000 2 B 85.393 1
ATOM 1347 C CG . PRO 91 91 ? B 6.380 -16.561 -5.776 1.000 2 B 85.393 1
ATOM 1348 C CD . PRO 91 91 ? B 5.457 -16.083 -6.860 1.000 2 B 85.393 1
ATOM 1349 N N . VAL 92 92 ? B 6.723 -12.539 -6.744 1.000 2 B 89.507 1
ATOM 1350 C CA . VAL 92 92 ? B 7.486 -11.339 -7.073 1.000 2 B 89.507 1
ATOM 1351 C C . VAL 92 92 ? B 6.661 -10.096 -6.745 1.000 2 B 89.507 1
ATOM 1352 O O . VAL 92 92 ? B 7.212 -9.062 -6.360 1.000 2 B 89.507 1
ATOM 1353 C CB . VAL 92 92 ? B 7.906 -11.323 -8.560 1.000 2 B 89.507 1
ATOM 1354 C CG1 . VAL 92 92 ? B 6.680 -11.235 -9.466 1.000 2 B 89.507 1
ATOM 1355 C CG2 . VAL 92 92 ? B 8.860 -10.162 -8.831 1.000 2 B 89.507 1
ATOM 1356 N N . VAL 93 93 ? B 5.359 -10.192 -6.930 1.000 2 B 92.378 1
ATOM 1357 C CA . VAL 93 93 ? B 4.491 -9.058 -6.628 1.000 2 B 92.378 1
ATOM 1358 C C . VAL 93 93 ? B 4.556 -8.741 -5.135 1.000 2 B 92.378 1
ATOM 1359 O O . VAL 93 93 ? B 4.682 -7.578 -4.747 1.000 2 B 92.378 1
ATOM 1360 C CB . VAL 93 93 ? B 3.031 -9.332 -7.052 1.000 2 B 92.378 1
ATOM 1361 C CG1 . VAL 93 93 ? B 2.108 -8.219 -6.560 1.000 2 B 92.378 1
ATOM 1362 C CG2 . VAL 93 93 ? B 2.935 -9.478 -8.569 1.000 2 B 92.378 1
ATOM 1363 N N . HIS 94 94 ? B 4.524 -9.781 -4.336 1.000 2 B 92.883 1
ATOM 1364 C CA . HIS 94 94 ? B 4.584 -9.612 -2.888 1.000 2 B 92.883 1
ATOM 1365 C C . HIS 94 94 ? B 5.912 -8.996 -2.460 1.000 2 B 92.883 1
ATOM 1366 O O . HIS 94 94 ? B 5.941 -8.099 -1.614 1.000 2 B 92.883 1
ATOM 1367 C CB . HIS 94 94 ? B 4.377 -10.954 -2.184 1.000 2 B 92.883 1
ATOM 1368 C CG . HIS 94 94 ? B 3.032 -11.560 -2.430 1.000 2 B 92.883 1
ATOM 1369 N ND1 . HIS 94 94 ? B 1.868 -11.015 -1.930 1.000 2 B 92.883 1
ATOM 1370 C CD2 . HIS 94 94 ? B 2.666 -12.661 -3.126 1.000 2 B 92.883 1
ATOM 1371 C CE1 . HIS 94 94 ? B 0.843 -11.760 -2.308 1.000 2 B 92.883 1
ATOM 1372 N NE2 . HIS 94 94 ? B 1.300 -12.765 -3.036 1.000 2 B 92.883 1
ATOM 1373 N N . LEU 95 95 ? B 6.921 -9.460 -3.000 1.000 2 B 93.185 1
ATOM 1374 C CA . LEU 95 95 ? B 8.254 -8.962 -2.678 1.000 2 B 93.185 1
ATOM 1375 C C . LEU 95 95 ? B 8.392 -7.492 -3.059 1.000 2 B 93.185 1
ATOM 1376 O O . LEU 95 95 ? B 8.924 -6.693 -2.284 1.000 2 B 93.185 1
ATOM 1377 C CB . LEU 95 95 ? B 9.323 -9.790 -3.396 1.000 2 B 93.185 1
ATOM 1378 C CG . LEU 95 95 ? B 9.583 -11.191 -2.840 1.000 2 B 93.185 1
ATOM 1379 C CD1 . LEU 95 95 ? B 10.556 -11.946 -3.740 1.000 2 B 93.185 1
ATOM 1380 C CD2 . LEU 95 95 ? B 10.117 -11.111 -1.414 1.000 2 B 93.185 1
ATOM 1381 N N . THR 96 96 ? B 7.938 -7.215 -4.284 1.000 2 B 94.692 1
ATOM 1382 C CA . THR 96 96 ? B 8.030 -5.843 -4.771 1.000 2 B 94.692 1
ATOM 1383 C C . THR 96 96 ? B 7.197 -4.904 -3.903 1.000 2 B 94.692 1
ATOM 1384 O O . THR 96 96 ? B 7.642 -3.805 -3.565 1.000 2 B 94.692 1
ATOM 1385 C CB . THR 96 96 ? B 7.567 -5.738 -6.236 1.000 2 B 94.692 1
ATOM 1386 O OG1 . THR 96 96 ? B 8.355 -6.620 -7.044 1.000 2 B 94.692 1
ATOM 1387 C CG2 . THR 96 96 ? B 7.718 -4.314 -6.760 1.000 2 B 94.692 1
ATOM 1388 N N . LEU 97 97 ? B 6.005 -5.297 -3.603 1.000 2 B 96.149 1
ATOM 1389 C CA . LEU 97 97 ? B 5.146 -4.495 -2.738 1.000 2 B 96.149 1
ATOM 1390 C C . LEU 97 97 ? B 5.791 -4.290 -1.371 1.000 2 B 96.149 1
ATOM 1391 O O . LEU 97 97 ? B 5.763 -3.184 -0.826 1.000 2 B 96.149 1
ATOM 1392 C CB . LEU 97 97 ? B 3.778 -5.161 -2.575 1.000 2 B 96.149 1
ATOM 1393 C CG . LEU 97 97 ? B 2.717 -4.356 -1.822 1.000 2 B 96.149 1
ATOM 1394 C CD1 . LEU 97 97 ? B 2.447 -3.037 -2.538 1.000 2 B 96.149 1
ATOM 1395 C CD2 . LEU 97 97 ? B 1.433 -5.165 -1.679 1.000 2 B 96.149 1
ATOM 1396 N N . ARG 98 98 ? B 6.459 -5.322 -0.826 1.000 2 B 95.345 1
ATOM 1397 C CA . ARG 98 98 ? B 7.157 -5.214 0.451 1.000 2 B 95.345 1
ATOM 1398 C C . ARG 98 98 ? B 8.292 -4.199 0.370 1.000 2 B 95.345 1
ATOM 1399 O O . ARG 98 98 ? B 8.448 -3.361 1.261 1.000 2 B 95.345 1
ATOM 1400 C CB . ARG 98 98 ? B 7.702 -6.576 0.884 1.000 2 B 95.345 1
ATOM 1401 C CG . ARG 98 98 ? B 6.625 -7.571 1.288 1.000 2 B 95.345 1
ATOM 1402 C CD . ARG 98 98 ? B 7.219 -8.911 1.698 1.000 2 B 95.345 1
ATOM 1403 N NE . ARG 98 98 ? B 6.181 -9.902 1.964 1.000 2 B 95.345 1
ATOM 1404 C CZ . ARG 98 98 ? B 6.407 -11.191 2.205 1.000 2 B 95.345 1
ATOM 1405 N NH1 . ARG 98 98 ? B 7.645 -11.671 2.219 1.000 2 B 95.345 1
ATOM 1406 N NH2 . ARG 98 98 ? B 5.388 -12.006 2.435 1.000 2 B 95.345 1
ATOM 1407 N N . GLN 99 99 ? B 8.970 -4.357 -0.602 1.000 2 B 94.780 1
ATOM 1408 C CA . GLN 99 99 ? B 10.113 -3.469 -0.789 1.000 2 B 94.780 1
ATOM 1409 C C . GLN 99 99 ? B 9.663 -2.019 -0.946 1.000 2 B 94.780 1
ATOM 1410 O O . GLN 99 99 ? B 10.227 -1.118 -0.322 1.000 2 B 94.780 1
ATOM 1411 C CB . GLN 99 99 ? B 10.934 -3.898 -2.006 1.000 2 B 94.780 1
ATOM 1412 C CG . GLN 99 99 ? B 12.254 -3.153 -2.151 1.000 2 B 94.780 1
ATOM 1413 C CD . GLN 99 99 ? B 13.137 -3.730 -3.241 1.000 2 B 94.780 1
ATOM 1414 O OE1 . GLN 99 99 ? B 12.805 -4.750 -3.853 1.000 2 B 94.780 1
ATOM 1415 N NE2 . GLN 99 99 ? B 14.271 -3.084 -3.490 1.000 2 B 94.780 1
ATOM 1416 N N . ALA 100 100 ? B 8.707 -1.845 -1.834 1.000 2 B 95.438 1
ATOM 1417 C CA . ALA 100 100 ? B 8.181 -0.498 -2.039 1.000 2 B 95.438 1
ATOM 1418 C C . ALA 100 100 ? B 7.594 0.063 -0.747 1.000 2 B 95.438 1
ATOM 1419 O O . ALA 100 100 ? B 7.793 1.238 -0.426 1.000 2 B 95.438 1
ATOM 1420 C CB . ALA 100 100 ? B 7.125 -0.501 -3.142 1.000 2 B 95.438 1
ATOM 1421 N N . GLY 101 101 ? B 6.880 -0.758 -0.084 1.000 2 B 96.069 1
ATOM 1422 C CA . GLY 101 101 ? B 6.313 -0.346 1.191 1.000 2 B 96.069 1
ATOM 1423 C C . GLY 101 101 ? B 7.365 0.007 2.225 1.000 2 B 96.069 1
ATOM 1424 O O . GLY 101 101 ? B 7.238 1.010 2.930 1.000 2 B 96.069 1
ATOM 1425 N N . ASP 102 102 ? B 8.450 -0.828 2.320 1.000 2 B 95.297 1
ATOM 1426 C CA . ASP 102 102 ? B 9.544 -0.559 3.248 1.000 2 B 95.297 1
ATOM 1427 C C . ASP 102 102 ? B 10.230 0.765 2.919 1.000 2 B 95.297 1
ATOM 1428 O O . ASP 102 102 ? B 10.577 1.531 3.820 1.000 2 B 95.297 1
ATOM 1429 C CB . ASP 102 102 ? B 10.563 -1.700 3.221 1.000 2 B 95.297 1
ATOM 1430 C CG . ASP 102 102 ? B 10.049 -2.970 3.877 1.000 2 B 95.297 1
ATOM 1431 O OD1 . ASP 102 102 ? B 8.998 -2.925 4.552 1.000 2 B 95.297 1
ATOM 1432 O OD2 . ASP 102 102 ? B 10.703 -4.024 3.720 1.000 2 B 95.297 1
ATOM 1433 N N . ASP 103 103 ? B 10.417 0.933 1.651 1.000 2 B 94.001 1
ATOM 1434 C CA . ASP 103 103 ? B 11.018 2.188 1.212 1.000 2 B 94.001 1
ATOM 1435 C C . ASP 103 103 ? B 10.131 3.378 1.573 1.000 2 B 94.001 1
ATOM 1436 O O . ASP 103 103 ? B 10.618 4.391 2.079 1.000 2 B 94.001 1
ATOM 1437 C CB . ASP 103 103 ? B 11.275 2.162 -0.296 1.000 2 B 94.001 1
ATOM 1438 C CG . ASP 103 103 ? B 12.041 3.378 -0.788 1.000 2 B 94.001 1
ATOM 1439 O OD1 . ASP 103 103 ? B 13.123 3.680 -0.239 1.000 2 B 94.001 1
ATOM 1440 O OD2 . ASP 103 103 ? B 11.558 4.041 -1.731 1.000 2 B 94.001 1
ATOM 1441 N N . PHE 104 104 ? B 8.851 3.210 1.312 1.000 2 B 94.245 1
ATOM 1442 C CA . PHE 104 104 ? B 7.876 4.248 1.627 1.000 2 B 94.245 1
ATOM 1443 C C . PHE 104 104 ? B 7.879 4.559 3.119 1.000 2 B 94.245 1
ATOM 1444 O O . PHE 104 104 ? B 7.920 5.726 3.515 1.000 2 B 94.245 1
ATOM 1445 C CB . PHE 104 104 ? B 6.473 3.822 1.182 1.000 2 B 94.245 1
ATOM 1446 C CG . PHE 104 104 ? B 5.448 4.920 1.273 1.000 2 B 94.245 1
ATOM 1447 C CD1 . PHE 104 104 ? B 4.728 5.122 2.444 1.000 2 B 94.245 1
ATOM 1448 C CD2 . PHE 104 104 ? B 5.205 5.751 0.187 1.000 2 B 94.245 1
ATOM 1449 C CE1 . PHE 104 104 ? B 3.779 6.138 2.531 1.000 2 B 94.245 1
ATOM 1450 C CE2 . PHE 104 104 ? B 4.257 6.768 0.267 1.000 2 B 94.245 1
ATOM 1451 C CZ . PHE 104 104 ? B 3.545 6.959 1.439 1.000 2 B 94.245 1
ATOM 1452 N N . SER 105 105 ? B 7.859 3.542 3.998 1.000 2 B 93.755 1
ATOM 1453 C CA . SER 105 105 ? B 7.811 3.693 5.448 1.000 2 B 93.755 1
ATOM 1454 C C . SER 105 105 ? B 9.088 4.335 5.980 1.000 2 B 93.755 1
ATOM 1455 O O . SER 105 105 ? B 9.038 5.176 6.880 1.000 2 B 93.755 1
ATOM 1456 C CB . SER 105 105 ? B 7.593 2.337 6.122 1.000 2 B 93.755 1
ATOM 1457 O OG . SER 105 105 ? B 6.291 1.847 5.856 1.000 2 B 93.755 1
ATOM 1458 N N . ARG 106 106 ? B 10.189 3.926 5.461 1.000 2 B 93.685 1
ATOM 1459 C CA . ARG 106 106 ? B 11.475 4.466 5.890 1.000 2 B 93.685 1
ATOM 1460 C C . ARG 106 106 ? B 11.561 5.963 5.609 1.000 2 B 93.685 1
ATOM 1461 O O . ARG 106 106 ? B 12.008 6.735 6.460 1.000 2 B 93.685 1
ATOM 1462 C CB . ARG 106 106 ? B 12.625 3.735 5.194 1.000 2 B 93.685 1
ATOM 1463 C CG . ARG 106 106 ? B 14.002 4.123 5.707 1.000 2 B 93.685 1
ATOM 1464 C CD . ARG 106 106 ? B 15.098 3.272 5.081 1.000 2 B 93.685 1
ATOM 1465 N NE . ARG 106 106 ? B 15.134 3.423 3.629 1.000 2 B 93.685 1
ATOM 1466 C CZ . ARG 106 106 ? B 14.904 2.444 2.759 1.000 2 B 93.685 1
ATOM 1467 N NH1 . ARG 106 106 ? B 14.616 1.217 3.179 1.000 2 B 93.685 1
ATOM 1468 N NH2 . ARG 106 106 ? B 14.963 2.692 1.459 1.000 2 B 93.685 1
ATOM 1469 N N . ARG 107 107 ? B 11.076 6.366 4.625 1.000 2 B 90.542 1
ATOM 1470 C CA . ARG 107 107 ? B 11.190 7.758 4.202 1.000 2 B 90.542 1
ATOM 1471 C C . ARG 107 107 ? B 10.212 8.644 4.966 1.000 2 B 90.542 1
ATOM 1472 O O . ARG 107 107 ? B 10.496 9.816 5.221 1.000 2 B 90.542 1
ATOM 1473 C CB . ARG 107 107 ? B 10.946 7.885 2.697 1.000 2 B 90.542 1
ATOM 1474 C CG . ARG 107 107 ? B 12.138 7.481 1.844 1.000 2 B 90.542 1
ATOM 1475 C CD . ARG 107 107 ? B 11.888 7.744 0.365 1.000 2 B 90.542 1
ATOM 1476 N NE . ARG 107 107 ? B 11.537 6.519 -0.348 1.000 2 B 90.542 1
ATOM 1477 C CZ . ARG 107 107 ? B 11.470 6.406 -1.671 1.000 2 B 90.542 1
ATOM 1478 N NH1 . ARG 107 107 ? B 11.729 7.446 -2.455 1.000 2 B 90.542 1
ATOM 1479 N NH2 . ARG 107 107 ? B 11.140 5.243 -2.216 1.000 2 B 90.542 1
ATOM 1480 N N . TYR 108 108 ? B 9.131 8.035 5.291 1.000 2 B 88.703 1
ATOM 1481 C CA . TYR 108 108 ? B 8.087 8.871 5.874 1.000 2 B 88.703 1
ATOM 1482 C C . TYR 108 108 ? B 7.710 8.381 7.267 1.000 2 B 88.703 1
ATOM 1483 O O . TYR 108 108 ? B 6.537 8.415 7.647 1.000 2 B 88.703 1
ATOM 1484 C CB . TYR 108 108 ? B 6.848 8.890 4.974 1.000 2 B 88.703 1
ATOM 1485 C CG . TYR 108 108 ? B 7.138 9.304 3.551 1.000 2 B 88.703 1
ATOM 1486 C CD1 . TYR 108 108 ? B 7.475 10.620 3.243 1.000 2 B 88.703 1
ATOM 1487 C CD2 . TYR 108 108 ? B 7.074 8.381 2.513 1.000 2 B 88.703 1
ATOM 1488 C CE1 . TYR 108 108 ? B 7.740 11.007 1.934 1.000 2 B 88.703 1
ATOM 1489 C CE2 . TYR 108 108 ? B 7.338 8.757 1.200 1.000 2 B 88.703 1
ATOM 1490 C CZ . TYR 108 108 ? B 7.670 10.070 0.921 1.000 2 B 88.703 1
ATOM 1491 O OH . TYR 108 108 ? B 7.932 10.447 -0.377 1.000 2 B 88.703 1
ATOM 1492 N N . ARG 109 109 ? B 8.666 7.833 7.943 1.000 2 B 89.211 1
ATOM 1493 C CA . ARG 109 109 ? B 8.494 7.245 9.268 1.000 2 B 89.211 1
ATOM 1494 C C . ARG 109 109 ? B 7.892 8.253 10.240 1.000 2 B 89.211 1
ATOM 1495 O O . ARG 109 109 ? B 6.952 7.934 10.971 1.000 2 B 89.211 1
ATOM 1496 C CB . ARG 109 109 ? B 9.831 6.731 9.807 1.000 2 B 89.211 1
ATOM 1497 C CG . ARG 109 109 ? B 9.716 5.974 11.120 1.000 2 B 89.211 1
ATOM 1498 C CD . ARG 109 109 ? B 11.075 5.506 11.622 1.000 2 B 89.211 1
ATOM 1499 N NE . ARG 109 109 ? B 11.472 4.244 11.005 1.000 2 B 89.211 1
ATOM 1500 C CZ . ARG 109 109 ? B 12.628 3.623 11.224 1.000 2 B 89.211 1
ATOM 1501 N NH1 . ARG 109 109 ? B 13.527 4.139 12.055 1.000 2 B 89.211 1
ATOM 1502 N NH2 . ARG 109 109 ? B 12.887 2.478 10.609 1.000 2 B 89.211 1
ATOM 1503 N N . ARG 110 110 ? B 8.413 9.445 10.230 1.000 2 B 90.208 1
ATOM 1504 C CA . ARG 110 110 ? B 7.952 10.474 11.156 1.000 2 B 90.208 1
ATOM 1505 C C . ARG 110 110 ? B 6.488 10.821 10.905 1.000 2 B 90.208 1
ATOM 1506 O O . ARG 110 110 ? B 5.712 10.979 11.849 1.000 2 B 90.208 1
ATOM 1507 C CB . ARG 110 110 ? B 8.816 11.731 11.038 1.000 2 B 90.208 1
ATOM 1508 C CG . ARG 110 110 ? B 8.529 12.779 12.101 1.000 2 B 90.208 1
ATOM 1509 C CD . ARG 110 110 ? B 9.426 13.999 11.947 1.000 2 B 90.208 1
ATOM 1510 N NE . ARG 110 110 ? B 8.919 15.140 12.705 1.000 2 B 90.208 1
ATOM 1511 C CZ . ARG 110 110 ? B 9.606 16.252 12.950 1.000 2 B 90.208 1
ATOM 1512 N NH1 . ARG 110 110 ? B 10.847 16.397 12.499 1.000 2 B 90.208 1
ATOM 1513 N NH2 . ARG 110 110 ? B 9.048 17.228 13.651 1.000 2 B 90.208 1
ATOM 1514 N N . ASP 111 111 ? B 6.095 10.839 9.699 1.000 2 B 88.791 1
ATOM 1515 C CA . ASP 111 111 ? B 4.727 11.193 9.330 1.000 2 B 88.791 1
ATOM 1516 C C . ASP 111 111 ? B 3.741 10.119 9.783 1.000 2 B 88.791 1
ATOM 1517 O O . ASP 111 111 ? B 2.667 10.434 10.300 1.000 2 B 88.791 1
ATOM 1518 C CB . ASP 111 111 ? B 4.618 11.404 7.818 1.000 2 B 88.791 1
ATOM 1519 C CG . ASP 111 111 ? B 5.377 12.626 7.333 1.000 2 B 88.791 1
ATOM 1520 O OD1 . ASP 111 111 ? B 5.162 13.733 7.874 1.000 2 B 88.791 1
ATOM 1521 O OD2 . ASP 111 111 ? B 6.197 12.482 6.401 1.000 2 B 88.791 1
ATOM 1522 N N . PHE 112 112 ? B 4.155 8.929 9.729 1.000 2 B 85.109 1
ATOM 1523 C CA . PHE 112 112 ? B 3.275 7.832 10.115 1.000 2 B 85.109 1
ATOM 1524 C C . PHE 112 112 ? B 3.102 7.783 11.628 1.000 2 B 85.109 1
ATOM 1525 O O . PHE 112 112 ? B 2.017 7.475 12.124 1.000 2 B 85.109 1
ATOM 1526 C CB . PHE 112 112 ? B 3.825 6.496 9.605 1.000 2 B 85.109 1
ATOM 1527 C CG . PHE 112 112 ? B 3.432 6.179 8.187 1.000 2 B 85.109 1
ATOM 1528 C CD1 . PHE 112 112 ? B 2.125 5.826 7.876 1.000 2 B 85.109 1
ATOM 1529 C CD2 . PHE 112 112 ? B 4.371 6.234 7.166 1.000 2 B 85.109 1
ATOM 1530 C CE1 . PHE 112 112 ? B 1.758 5.533 6.564 1.000 2 B 85.109 1
ATOM 1531 C CE2 . PHE 112 112 ? B 4.013 5.942 5.853 1.000 2 B 85.109 1
ATOM 1532 C CZ . PHE 112 112 ? B 2.706 5.590 5.554 1.000 2 B 85.109 1
ATOM 1533 N N . ALA 113 113 ? B 4.216 8.082 12.324 1.000 2 B 86.432 1
ATOM 1534 C CA . ALA 113 113 ? B 4.132 8.121 13.782 1.000 2 B 86.432 1
ATOM 1535 C C . ALA 113 113 ? B 3.128 9.172 14.245 1.000 2 B 86.432 1
ATOM 1536 O O . ALA 113 113 ? B 2.343 8.926 15.164 1.000 2 B 86.432 1
ATOM 1537 C CB . ALA 113 113 ? B 5.507 8.400 14.386 1.000 2 B 86.432 1
ATOM 1538 N N . GLU 114 114 ? B 3.127 10.234 13.586 1.000 2 B 87.520 1
ATOM 1539 C CA . GLU 114 114 ? B 2.217 11.328 13.915 1.000 2 B 87.520 1
ATOM 1540 C C . GLU 114 114 ? B 0.781 10.986 13.529 1.000 2 B 87.520 1
ATOM 1541 O O . GLU 114 114 ? B -0.151 11.246 14.293 1.000 2 B 87.520 1
ATOM 1542 C CB . GLU 114 114 ? B 2.655 12.619 13.220 1.000 2 B 87.520 1
ATOM 1543 C CG . GLU 114 114 ? B 1.820 13.834 13.596 1.000 2 B 87.520 1
ATOM 1544 C CD . GLU 114 114 ? B 2.331 15.128 12.982 1.000 2 B 87.520 1
ATOM 1545 O OE1 . GLU 114 114 ? B 1.711 16.192 13.205 1.000 2 B 87.520 1
ATOM 1546 O OE2 . GLU 114 114 ? B 3.360 15.076 12.271 1.000 2 B 87.520 1
ATOM 1547 N N . MET 115 115 ? B 0.577 10.350 12.379 1.000 2 B 82.931 1
ATOM 1548 C CA . MET 115 115 ? B -0.747 10.018 11.860 1.000 2 B 82.931 1
ATOM 1549 C C . MET 115 115 ? B -1.431 8.977 12.739 1.000 2 B 82.931 1
ATOM 1550 O O . MET 115 115 ? B -2.623 9.090 13.031 1.000 2 B 82.931 1
ATOM 1551 C CB . MET 115 115 ? B -0.649 9.506 10.422 1.000 2 B 82.931 1
ATOM 1552 C CG . MET 115 115 ? B -0.374 10.597 9.400 1.000 2 B 82.931 1
ATOM 1553 S SD . MET 115 115 ? B -0.516 9.993 7.673 1.000 2 B 82.931 1
ATOM 1554 C CE . MET 115 115 ? B 1.014 9.027 7.545 1.000 2 B 82.931 1
ATOM 1555 N N . SER 116 116 ? B -0.655 8.041 13.135 1.000 2 B 81.439 1
ATOM 1556 C CA . SER 116 116 ? B -1.214 6.977 13.962 1.000 2 B 81.439 1
ATOM 1557 C C . SER 116 116 ? B -1.690 7.514 15.308 1.000 2 B 81.439 1
ATOM 1558 O O . SER 116 116 ? B -2.710 7.065 15.836 1.000 2 B 81.439 1
ATOM 1559 C CB . SER 116 116 ? B -0.182 5.870 14.182 1.000 2 B 81.439 1
ATOM 1560 O OG . SER 116 116 ? B 0.912 6.347 14.946 1.000 2 B 81.439 1
ATOM 1561 N N . SER 117 117 ? B -1.019 8.491 15.884 1.000 2 B 85.022 1
ATOM 1562 C CA . SER 117 117 ? B -1.387 9.057 17.177 1.000 2 B 85.022 1
ATOM 1563 C C . SER 117 117 ? B -2.685 9.852 17.084 1.000 2 B 85.022 1
ATOM 1564 O O . SER 117 117 ? B -3.443 9.928 18.053 1.000 2 B 85.022 1
ATOM 1565 C CB . SER 117 117 ? B -0.267 9.955 17.707 1.000 2 B 85.022 1
ATOM 1566 O OG . SER 117 117 ? B -0.121 11.108 16.897 1.000 2 B 85.022 1
ATOM 1567 N N . GLN 118 118 ? B -3.030 10.224 15.857 1.000 2 B 82.866 1
ATOM 1568 C CA . GLN 118 118 ? B -4.191 11.090 15.679 1.000 2 B 82.866 1
ATOM 1569 C C . GLN 118 118 ? B -5.447 10.274 15.389 1.000 2 B 82.866 1
ATOM 1570 O O . GLN 118 118 ? B -6.566 10.761 15.571 1.000 2 B 82.866 1
ATOM 1571 C CB . GLN 118 118 ? B -3.945 12.093 14.551 1.000 2 B 82.866 1
ATOM 1572 C CG . GLN 118 118 ? B -2.880 13.133 14.874 1.000 2 B 82.866 1
ATOM 1573 C CD . GLN 118 118 ? B -2.590 14.058 13.707 1.000 2 B 82.866 1
ATOM 1574 O OE1 . GLN 118 118 ? B -3.170 13.916 12.626 1.000 2 B 82.866 1
ATOM 1575 N NE2 . GLN 118 118 ? B -1.691 15.013 13.917 1.000 2 B 82.866 1
ATOM 1576 N N . LEU 119 119 ? B -5.336 9.047 14.907 1.000 2 B 81.987 1
ATOM 1577 C CA . LEU 119 119 ? B -6.452 8.252 14.407 1.000 2 B 81.987 1
ATOM 1578 C C . LEU 119 119 ? B -7.253 7.654 15.559 1.000 2 B 81.987 1
ATOM 1579 O O . LEU 119 119 ? B -8.458 7.426 15.430 1.000 2 B 81.987 1
ATOM 1580 C CB . LEU 119 119 ? B -5.946 7.136 13.489 1.000 2 B 81.987 1
ATOM 1581 C CG . LEU 119 119 ? B -5.673 7.526 12.035 1.000 2 B 81.987 1
ATOM 1582 C CD1 . LEU 119 119 ? B -4.604 6.618 11.435 1.000 2 B 81.987 1
ATOM 1583 C CD2 . LEU 119 119 ? B -6.957 7.464 11.214 1.000 2 B 81.987 1
ATOM 1584 N N . HIS 120 120 ? B -7.065 8.071 16.855 1.000 2 B 82.498 1
ATOM 1585 C CA . HIS 120 120 ? B -7.816 7.556 17.994 1.000 2 B 82.498 1
ATOM 1586 C C . HIS 120 120 ? B -8.588 6.295 17.620 1.000 2 B 82.498 1
ATOM 1587 O O . HIS 120 120 ? B -9.821 6.288 17.637 1.000 2 B 82.498 1
ATOM 1588 C CB . HIS 120 120 ? B -8.777 8.620 18.527 1.000 2 B 82.498 1
ATOM 1589 C CG . HIS 120 120 ? B -8.091 9.855 19.019 1.000 2 B 82.498 1
ATOM 1590 N ND1 . HIS 120 120 ? B -7.365 9.886 20.190 1.000 2 B 82.498 1
ATOM 1591 C CD2 . HIS 120 120 ? B -8.019 11.101 18.495 1.000 2 B 82.498 1
ATOM 1592 C CE1 . HIS 120 120 ? B -6.876 11.103 20.366 1.000 2 B 82.498 1
ATOM 1593 N NE2 . HIS 120 120 ? B -7.259 11.859 19.351 1.000 2 B 82.498 1
ATOM 1594 N N . LEU 121 121 ? B -7.910 5.254 17.332 1.000 2 B 85.577 1
ATOM 1595 C CA . LEU 121 121 ? B -8.486 4.006 16.843 1.000 2 B 85.577 1
ATOM 1596 C C . LEU 121 121 ? B -9.226 3.274 17.958 1.000 2 B 85.577 1
ATOM 1597 O O . LEU 121 121 ? B -8.653 3.005 19.016 1.000 2 B 85.577 1
ATOM 1598 C CB . LEU 121 121 ? B -7.395 3.104 16.261 1.000 2 B 85.577 1
ATOM 1599 C CG . LEU 121 121 ? B -6.871 3.482 14.874 1.000 2 B 85.577 1
ATOM 1600 C CD1 . LEU 121 121 ? B -5.583 2.723 14.570 1.000 2 B 85.577 1
ATOM 1601 C CD2 . LEU 121 121 ? B -7.926 3.204 13.809 1.000 2 B 85.577 1
ATOM 1602 N N . THR 122 122 ? B -10.573 3.154 17.796 1.000 2 B 87.560 1
ATOM 1603 C CA . THR 122 122 ? B -11.460 2.299 18.577 1.000 2 B 87.560 1
ATOM 1604 C C . THR 122 122 ? B -12.203 1.320 17.671 1.000 2 B 87.560 1
ATOM 1605 O O . THR 122 122 ? B -12.267 1.518 16.456 1.000 2 B 87.560 1
ATOM 1606 C CB . THR 122 122 ? B -12.475 3.132 19.380 1.000 2 B 87.560 1
ATOM 1607 O OG1 . THR 122 122 ? B -13.401 3.748 18.475 1.000 2 B 87.560 1
ATOM 1608 C CG2 . THR 122 122 ? B -11.777 4.218 20.192 1.000 2 B 87.560 1
ATOM 1609 N N . PRO 123 123 ? B -12.547 0.145 18.170 1.000 2 B 87.033 1
ATOM 1610 C CA . PRO 123 123 ? B -13.263 -0.832 17.346 1.000 2 B 87.033 1
ATOM 1611 C C . PRO 123 123 ? B -14.500 -0.241 16.673 1.000 2 B 87.033 1
ATOM 1612 O O . PRO 123 123 ? B -14.856 -0.647 15.563 1.000 2 B 87.033 1
ATOM 1613 C CB . PRO 123 123 ? B -13.655 -1.919 18.350 1.000 2 B 87.033 1
ATOM 1614 C CG . PRO 123 123 ? B -12.631 -1.825 19.434 1.000 2 B 87.033 1
ATOM 1615 C CD . PRO 123 123 ? B -12.232 -0.386 19.589 1.000 2 B 87.033 1
ATOM 1616 N N . PHE 124 124 ? B -15.115 0.818 17.241 1.000 2 B 88.964 1
ATOM 1617 C CA . PHE 124 124 ? B -16.365 1.362 16.724 1.000 2 B 88.964 1
ATOM 1618 C C . PHE 124 124 ? B -16.096 2.439 15.680 1.000 2 B 88.964 1
ATOM 1619 O O . PHE 124 124 ? B -16.885 2.621 14.751 1.000 2 B 88.964 1
ATOM 1620 C CB . PHE 124 124 ? B -17.215 1.934 17.862 1.000 2 B 88.964 1
ATOM 1621 C CG . PHE 124 124 ? B -17.723 0.894 18.823 1.000 2 B 88.964 1
ATOM 1622 C CD1 . PHE 124 124 ? B -18.790 0.073 18.481 1.000 2 B 88.964 1
ATOM 1623 C CD2 . PHE 124 124 ? B -17.131 0.736 20.070 1.000 2 B 88.964 1
ATOM 1624 C CE1 . PHE 124 124 ? B -19.262 -0.891 19.369 1.000 2 B 88.964 1
ATOM 1625 C CE2 . PHE 124 124 ? B -17.597 -0.225 20.963 1.000 2 B 88.964 1
ATOM 1626 C CZ . PHE 124 124 ? B -18.664 -1.037 20.610 1.000 2 B 88.964 1
ATOM 1627 N N . THR 125 125 ? B -14.973 3.061 15.799 1.000 2 B 89.593 1
ATOM 1628 C CA . THR 125 125 ? B -14.711 4.187 14.909 1.000 2 B 89.593 1
ATOM 1629 C C . THR 125 125 ? B -13.741 3.786 13.802 1.000 2 B 89.593 1
ATOM 1630 O O . THR 125 125 ? B -13.557 4.526 12.833 1.000 2 B 89.593 1
ATOM 1631 C CB . THR 125 125 ? B -14.141 5.390 15.684 1.000 2 B 89.593 1
ATOM 1632 O OG1 . THR 125 125 ? B -12.926 4.999 16.335 1.000 2 B 89.593 1
ATOM 1633 C CG2 . THR 125 125 ? B -15.130 5.886 16.734 1.000 2 B 89.593 1
ATOM 1634 N N . ALA 126 126 ? B -13.112 2.668 13.933 1.000 2 B 91.407 1
ATOM 1635 C CA . ALA 126 126 ? B -12.034 2.252 13.039 1.000 2 B 91.407 1
ATOM 1636 C C . ALA 126 126 ? B -12.522 2.163 11.596 1.000 2 B 91.407 1
ATOM 1637 O O . ALA 126 126 ? B -11.856 2.647 10.678 1.000 2 B 91.407 1
ATOM 1638 C CB . ALA 126 126 ? B -11.459 0.911 13.487 1.000 2 B 91.407 1
ATOM 1639 N N . ARG 127 127 ? B -13.698 1.632 11.447 1.000 2 B 92.160 1
ATOM 1640 C CA . ARG 127 127 ? B -14.261 1.463 10.112 1.000 2 B 92.160 1
ATOM 1641 C C . ARG 127 127 ? B -14.518 2.814 9.451 1.000 2 B 92.160 1
ATOM 1642 O O . ARG 127 127 ? B -14.157 3.022 8.291 1.000 2 B 92.160 1
ATOM 1643 C CB . ARG 127 127 ? B -15.558 0.654 10.173 1.000 2 B 92.160 1
ATOM 1644 C CG . ARG 127 127 ? B -16.194 0.405 8.815 1.000 2 B 92.160 1
ATOM 1645 C CD . ARG 127 127 ? B -17.452 -0.445 8.928 1.000 2 B 92.160 1
ATOM 1646 N NE . ARG 127 127 ? B -18.071 -0.668 7.624 1.000 2 B 92.160 1
ATOM 1647 C CZ . ARG 127 127 ? B -19.063 -1.523 7.392 1.000 2 B 92.160 1
ATOM 1648 N NH1 . ARG 127 127 ? B -19.570 -2.256 8.377 1.000 2 B 92.160 1
ATOM 1649 N NH2 . ARG 127 127 ? B -19.552 -1.647 6.167 1.000 2 B 92.160 1
ATOM 1650 N N . GLY 128 128 ? B -15.206 3.675 10.088 1.000 2 B 91.705 1
ATOM 1651 C CA . GLY 128 128 ? B -15.497 5.000 9.565 1.000 2 B 91.705 1
ATOM 1652 C C . GLY 128 128 ? B -14.251 5.799 9.234 1.000 2 B 91.705 1
ATOM 1653 O O . GLY 128 128 ? B -14.170 6.424 8.175 1.000 2 B 91.705 1
ATOM 1654 N N . ARG 129 129 ? B -13.221 5.652 10.070 1.000 2 B 91.329 1
ATOM 1655 C CA . ARG 129 129 ? B -11.985 6.399 9.860 1.000 2 B 91.329 1
ATOM 1656 C C . ARG 129 129 ? B -11.201 5.839 8.678 1.000 2 B 91.329 1
ATOM 1657 O O . ARG 129 129 ? B -10.631 6.596 7.890 1.000 2 B 91.329 1
ATOM 1658 C CB . ARG 129 129 ? B -11.120 6.374 11.122 1.000 2 B 91.329 1
ATOM 1659 C CG . ARG 129 129 ? B -11.741 7.094 12.308 1.000 2 B 91.329 1
ATOM 1660 C CD . ARG 129 129 ? B -11.806 8.598 12.084 1.000 2 B 91.329 1
ATOM 1661 N NE . ARG 129 129 ? B -12.333 9.295 13.254 1.000 2 B 91.329 1
ATOM 1662 C CZ . ARG 129 129 ? B -12.630 10.591 13.294 1.000 2 B 91.329 1
ATOM 1663 N NH1 . ARG 129 129 ? B -12.457 11.360 12.225 1.000 2 B 91.329 1
ATOM 1664 N NH2 . ARG 129 129 ? B -13.104 11.123 14.411 1.000 2 B 91.329 1
ATOM 1665 N N . PHE 130 130 ? B -11.216 4.550 8.667 1.000 2 B 93.505 1
ATOM 1666 C CA . PHE 130 130 ? B -10.585 3.893 7.528 1.000 2 B 93.505 1
ATOM 1667 C C . PHE 130 130 ? B -11.216 4.354 6.219 1.000 2 B 93.505 1
ATOM 1668 O O . PHE 130 130 ? B -10.511 4.759 5.293 1.000 2 B 93.505 1
ATOM 1669 C CB . PHE 130 130 ? B -10.695 2.370 7.656 1.000 2 B 93.505 1
ATOM 1670 C CG . PHE 130 130 ? B -10.103 1.620 6.493 1.000 2 B 93.505 1
ATOM 1671 C CD1 . PHE 130 130 ? B -10.899 1.226 5.424 1.000 2 B 93.505 1
ATOM 1672 C CD2 . PHE 130 130 ? B -8.750 1.307 6.469 1.000 2 B 93.505 1
ATOM 1673 C CE1 . PHE 130 130 ? B -10.355 0.531 4.347 1.000 2 B 93.505 1
ATOM 1674 C CE2 . PHE 130 130 ? B -8.199 0.613 5.396 1.000 2 B 93.505 1
ATOM 1675 C CZ . PHE 130 130 ? B -9.003 0.225 4.336 1.000 2 B 93.505 1
ATOM 1676 N N . ALA 131 131 ? B -12.515 4.274 6.126 1.000 2 B 94.123 1
ATOM 1677 C CA . ALA 131 131 ? B -13.253 4.636 4.919 1.000 2 B 94.123 1
ATOM 1678 C C . ALA 131 131 ? B -13.001 6.092 4.537 1.000 2 B 94.123 1
ATOM 1679 O O . ALA 131 131 ? B -12.793 6.405 3.363 1.000 2 B 94.123 1
ATOM 1680 C CB . ALA 131 131 ? B -14.748 4.392 5.115 1.000 2 B 94.123 1
ATOM 1681 N N . THR 132 132 ? B -13.017 6.964 5.477 1.000 2 B 93.113 1
ATOM 1682 C CA . THR 132 132 ? B -12.815 8.387 5.229 1.000 2 B 93.113 1
ATOM 1683 C C . THR 132 132 ? B -11.421 8.645 4.664 1.000 2 B 93.113 1
ATOM 1684 O O . THR 132 132 ? B -11.268 9.375 3.683 1.000 2 B 93.113 1
ATOM 1685 C CB . THR 132 132 ? B -13.011 9.212 6.515 1.000 2 B 93.113 1
ATOM 1686 O OG1 . THR 132 132 ? B -14.354 9.041 6.985 1.000 2 B 93.113 1
ATOM 1687 C CG2 . THR 132 132 ? B -12.758 10.695 6.261 1.000 2 B 93.113 1
ATOM 1688 N N . VAL 133 133 ? B -10.427 8.051 5.262 1.000 2 B 94.104 1
ATOM 1689 C CA . VAL 133 133 ? B -9.050 8.273 4.832 1.000 2 B 94.104 1
ATOM 1690 C C . VAL 133 133 ? B -8.862 7.751 3.409 1.000 2 B 94.104 1
ATOM 1691 O O . VAL 133 133 ? B -8.301 8.443 2.556 1.000 2 B 94.104 1
ATOM 1692 C CB . VAL 133 133 ? B -8.041 7.596 5.786 1.000 2 B 94.104 1
ATOM 1693 C CG1 . VAL 133 133 ? B -6.634 7.624 5.193 1.000 2 B 94.104 1
ATOM 1694 C CG2 . VAL 133 133 ? B -8.061 8.276 7.154 1.000 2 B 94.104 1
ATOM 1695 N N . VAL 134 134 ? B -9.405 6.566 3.138 1.000 2 B 95.452 1
ATOM 1696 C CA . VAL 134 134 ? B -9.175 5.922 1.849 1.000 2 B 95.452 1
ATOM 1697 C C . VAL 134 134 ? B -9.965 6.646 0.761 1.000 2 B 95.452 1
ATOM 1698 O O . VAL 134 134 ? B -9.480 6.815 -0.359 1.000 2 B 95.452 1
ATOM 1699 C CB . VAL 134 134 ? B -9.563 4.427 1.884 1.000 2 B 95.452 1
ATOM 1700 C CG1 . VAL 134 134 ? B -9.504 3.820 0.484 1.000 2 B 95.452 1
ATOM 1701 C CG2 . VAL 134 134 ? B -8.650 3.662 2.840 1.000 2 B 95.452 1
ATOM 1702 N N . GLU 135 135 ? B -11.174 7.095 1.062 1.000 2 B 95.595 1
ATOM 1703 C CA . GLU 135 135 ? B -11.957 7.854 0.091 1.000 2 B 95.595 1
ATOM 1704 C C . GLU 135 135 ? B -11.255 9.154 -0.289 1.000 2 B 95.595 1
ATOM 1705 O O . GLU 135 135 ? B -11.253 9.546 -1.458 1.000 2 B 95.595 1
ATOM 1706 C CB . GLU 135 135 ? B -13.354 8.152 0.643 1.000 2 B 95.595 1
ATOM 1707 C CG . GLU 135 135 ? B -14.278 6.943 0.662 1.000 2 B 95.595 1
ATOM 1708 C CD . GLU 135 135 ? B -15.632 7.232 1.291 1.000 2 B 95.595 1
ATOM 1709 O OE1 . GLU 135 135 ? B -16.479 6.313 1.358 1.000 2 B 95.595 1
ATOM 1710 O OE2 . GLU 135 135 ? B -15.847 8.388 1.720 1.000 2 B 95.595 1
ATOM 1711 N N . GLU 136 136 ? B -10.685 9.708 0.742 1.000 2 B 94.675 1
ATOM 1712 C CA . GLU 136 136 ? B -9.959 10.950 0.494 1.000 2 B 94.675 1
ATOM 1713 C C . GLU 136 136 ? B -8.644 10.685 -0.233 1.000 2 B 94.675 1
ATOM 1714 O O . GLU 136 136 ? B -8.229 11.476 -1.084 1.000 2 B 94.675 1
ATOM 1715 C CB . GLU 136 136 ? B -9.694 11.690 1.808 1.000 2 B 94.675 1
ATOM 1716 C CG . GLU 136 136 ? B -9.128 13.090 1.622 1.000 2 B 94.675 1
ATOM 1717 C CD . GLU 136 136 ? B -10.068 14.023 0.875 1.000 2 B 94.675 1
ATOM 1718 O OE1 . GLU 136 136 ? B -9.594 15.029 0.300 1.000 2 B 94.675 1
ATOM 1719 O OE2 . GLU 136 136 ? B -11.288 13.746 0.865 1.000 2 B 94.675 1
ATOM 1720 N N . LEU 137 137 ? B -8.028 9.614 0.073 1.000 2 B 95.768 1
ATOM 1721 C CA . LEU 137 137 ? B -6.753 9.245 -0.533 1.000 2 B 95.768 1
ATOM 1722 C C . LEU 137 137 ? B -6.891 9.104 -2.045 1.000 2 B 95.768 1
ATOM 1723 O O . LEU 137 137 ? B -6.020 9.550 -2.796 1.000 2 B 95.768 1
ATOM 1724 C CB . LEU 137 137 ? B -6.233 7.936 0.068 1.000 2 B 95.768 1
ATOM 1725 C CG . LEU 137 137 ? B -4.896 7.426 -0.473 1.000 2 B 95.768 1
ATOM 1726 C CD1 . LEU 137 137 ? B -3.799 8.458 -0.232 1.000 2 B 95.768 1
ATOM 1727 C CD2 . LEU 137 137 ? B -4.534 6.092 0.169 1.000 2 B 95.768 1
ATOM 1728 N N . PHE 138 138 ? B -8.024 8.680 -2.495 1.000 2 B 97.294 1
ATOM 1729 C CA . PHE 138 138 ? B -8.175 8.374 -3.912 1.000 2 B 97.294 1
ATOM 1730 C C . PHE 138 138 ? B -9.190 9.307 -4.562 1.000 2 B 97.294 1
ATOM 1731 O O . PHE 138 138 ? B -9.696 9.022 -5.649 1.000 2 B 97.294 1
ATOM 1732 C CB . PHE 138 138 ? B -8.603 6.916 -4.106 1.000 2 B 97.294 1
ATOM 1733 C CG . PHE 138 138 ? B -7.547 5.917 -3.717 1.000 2 B 97.294 1
ATOM 1734 C CD1 . PHE 138 138 ? B -6.389 5.777 -4.473 1.000 2 B 97.294 1
ATOM 1735 C CD2 . PHE 138 138 ? B -7.712 5.117 -2.593 1.000 2 B 97.294 1
ATOM 1736 C CE1 . PHE 138 138 ? B -5.411 4.853 -4.114 1.000 2 B 97.294 1
ATOM 1737 C CE2 . PHE 138 138 ? B -6.738 4.192 -2.229 1.000 2 B 97.294 1
ATOM 1738 C CZ . PHE 138 138 ? B -5.589 4.060 -2.991 1.000 2 B 97.294 1
ATOM 1739 N N . ARG 139 139 ? B -9.558 10.354 -3.876 1.000 2 B 95.542 1
ATOM 1740 C CA . ARG 139 139 ? B -10.562 11.294 -4.361 1.000 2 B 95.542 1
ATOM 1741 C C . ARG 139 139 ? B -10.124 11.933 -5.675 1.000 2 B 95.542 1
ATOM 1742 O O . ARG 139 139 ? B -10.932 12.096 -6.592 1.000 2 B 95.542 1
ATOM 1743 C CB . ARG 139 139 ? B -10.834 12.379 -3.316 1.000 2 B 95.542 1
ATOM 1744 C CG . ARG 139 139 ? B -11.937 13.349 -3.708 1.000 2 B 95.542 1
ATOM 1745 C CD . ARG 139 139 ? B -12.166 14.405 -2.636 1.000 2 B 95.542 1
ATOM 1746 N NE . ARG 139 139 ? B -13.259 15.305 -2.990 1.000 2 B 95.542 1
ATOM 1747 C CZ . ARG 139 139 ? B -13.734 16.268 -2.205 1.000 2 B 95.542 1
ATOM 1748 N NH1 . ARG 139 139 ? B -13.217 16.475 -0.999 1.000 2 B 95.542 1
ATOM 1749 N NH2 . ARG 139 139 ? B -14.732 17.030 -2.628 1.000 2 B 95.542 1
ATOM 1750 N N . ASP 140 140 ? B -8.836 12.218 -5.903 1.000 2 B 95.279 1
ATOM 1751 C CA . ASP 140 140 ? B -8.329 12.975 -7.044 1.000 2 B 95.279 1
ATOM 1752 C C . ASP 140 140 ? B -7.771 12.044 -8.118 1.000 2 B 95.279 1
ATOM 1753 O O . ASP 140 140 ? B -7.320 12.501 -9.170 1.000 2 B 95.279 1
ATOM 1754 C CB . ASP 140 140 ? B -7.252 13.965 -6.595 1.000 2 B 95.279 1
ATOM 1755 C CG . ASP 140 140 ? B -7.772 15.003 -5.616 1.000 2 B 95.279 1
ATOM 1756 O OD1 . ASP 140 140 ? B -8.909 15.492 -5.791 1.000 2 B 95.279 1
ATOM 1757 O OD2 . ASP 140 140 ? B -7.036 15.337 -4.662 1.000 2 B 95.279 1
ATOM 1758 N N . GLY 141 141 ? B -7.822 10.831 -7.870 1.000 2 B 96.339 1
ATOM 1759 C CA . GLY 141 141 ? B -7.290 9.877 -8.831 1.000 2 B 96.339 1
ATOM 1760 C C . GLY 141 141 ? B -6.411 8.817 -8.195 1.000 2 B 96.339 1
ATOM 1761 O O . GLY 141 141 ? B -6.098 8.895 -7.005 1.000 2 B 96.339 1
ATOM 1762 N N . VAL 142 142 ? B -6.179 7.768 -9.005 1.000 2 B 97.869 1
ATOM 1763 C CA . VAL 142 142 ? B -5.413 6.624 -8.522 1.000 2 B 97.869 1
ATOM 1764 C C . VAL 142 142 ? B -4.065 6.566 -9.236 1.000 2 B 97.869 1
ATOM 1765 O O . VAL 142 142 ? B -3.979 6.834 -10.437 1.000 2 B 97.869 1
ATOM 1766 C CB . VAL 142 142 ? B -6.182 5.299 -8.727 1.000 2 B 97.869 1
ATOM 1767 C CG1 . VAL 142 142 ? B -5.399 4.124 -8.144 1.000 2 B 97.869 1
ATOM 1768 C CG2 . VAL 142 142 ? B -7.571 5.386 -8.096 1.000 2 B 97.869 1
ATOM 1769 N N . ASN 143 143 ? B -3.012 6.425 -8.509 1.000 2 B 97.256 1
ATOM 1770 C CA . ASN 143 143 ? B -1.690 6.091 -9.028 1.000 2 B 97.256 1
ATOM 1771 C C . ASN 143 143 ? B -0.996 5.044 -8.161 1.000 2 B 97.256 1
ATOM 1772 O O . ASN 143 143 ? B -1.485 4.700 -7.084 1.000 2 B 97.256 1
ATOM 1773 C CB . ASN 143 143 ? B -0.824 7.347 -9.140 1.000 2 B 97.256 1
ATOM 1774 C CG . ASN 143 143 ? B -0.592 8.018 -7.801 1.000 2 B 97.256 1
ATOM 1775 O OD1 . ASN 143 143 ? B -0.072 7.402 -6.866 1.000 2 B 97.256 1
ATOM 1776 N ND2 . ASN 143 143 ? B -0.974 9.285 -7.698 1.000 2 B 97.256 1
ATOM 1777 N N . TRP 144 144 ? B 0.068 4.405 -8.650 1.000 2 B 97.225 1
ATOM 1778 C CA . TRP 144 144 ? B 0.714 3.297 -7.954 1.000 2 B 97.225 1
ATOM 1779 C C . TRP 144 144 ? B 1.256 3.745 -6.601 1.000 2 B 97.225 1
ATOM 1780 O O . TRP 144 144 ? B 1.221 2.987 -5.629 1.000 2 B 97.225 1
ATOM 1781 C CB . TRP 144 144 ? B 1.847 2.715 -8.805 1.000 2 B 97.225 1
ATOM 1782 C CG . TRP 144 144 ? B 1.376 1.880 -9.958 1.000 2 B 97.225 1
ATOM 1783 C CD1 . TRP 144 144 ? B 1.601 2.110 -11.287 1.000 2 B 97.225 1
ATOM 1784 C CD2 . TRP 144 144 ? B 0.595 0.684 -9.883 1.000 2 B 97.225 1
ATOM 1785 N NE1 . TRP 144 144 ? B 1.006 1.127 -12.044 1.000 2 B 97.225 1
ATOM 1786 C CE2 . TRP 144 144 ? B 0.383 0.240 -11.208 1.000 2 B 97.225 1
ATOM 1787 C CE3 . TRP 144 144 ? B 0.054 -0.057 -8.824 1.000 2 B 97.225 1
ATOM 1788 C CZ2 . TRP 144 144 ? B -0.348 -0.914 -11.500 1.000 2 B 97.225 1
ATOM 1789 C CZ3 . TRP 144 144 ? B -0.674 -1.205 -9.118 1.000 2 B 97.225 1
ATOM 1790 C CH2 . TRP 144 144 ? B -0.867 -1.620 -10.446 1.000 2 B 97.225 1
ATOM 1791 N N . GLY 145 145 ? B 1.854 4.952 -6.513 1.000 2 B 97.226 1
ATOM 1792 C CA . GLY 145 145 ? B 2.337 5.482 -5.248 1.000 2 B 97.226 1
ATOM 1793 C C . GLY 145 145 ? B 1.258 5.563 -4.185 1.000 2 B 97.226 1
ATOM 1794 O O . GLY 145 145 ? B 1.498 5.227 -3.023 1.000 2 B 97.226 1
ATOM 1795 N N . ARG 146 146 ? B 0.095 5.931 -4.556 1.000 2 B 97.922 1
ATOM 1796 C CA . ARG 146 146 ? B -1.017 6.032 -3.617 1.000 2 B 97.922 1
ATOM 1797 C C . ARG 146 146 ? B -1.492 4.650 -3.180 1.000 2 B 97.922 1
ATOM 1798 O O . ARG 146 146 ? B -1.917 4.467 -2.037 1.000 2 B 97.922 1
ATOM 1799 C CB . ARG 146 146 ? B -2.178 6.812 -4.238 1.000 2 B 97.922 1
ATOM 1800 C CG . ARG 146 146 ? B -1.896 8.295 -4.419 1.000 2 B 97.922 1
ATOM 1801 C CD . ARG 146 146 ? B -3.118 9.043 -4.933 1.000 2 B 97.922 1
ATOM 1802 N NE . ARG 146 146 ? B -2.814 10.443 -5.216 1.000 2 B 97.922 1
ATOM 1803 C CZ . ARG 146 146 ? B -3.716 11.362 -5.547 1.000 2 B 97.922 1
ATOM 1804 N NH1 . ARG 146 146 ? B -5.003 11.046 -5.644 1.000 2 B 97.922 1
ATOM 1805 N NH2 . ARG 146 146 ? B -3.330 12.607 -5.783 1.000 2 B 97.922 1
ATOM 1806 N N . ILE 147 147 ? B -1.456 3.751 -4.110 1.000 2 B 97.985 1
ATOM 1807 C CA . ILE 147 147 ? B -1.801 2.374 -3.771 1.000 2 B 97.985 1
ATOM 1808 C C . ILE 147 147 ? B -0.828 1.843 -2.721 1.000 2 B 97.985 1
ATOM 1809 O O . ILE 147 147 ? B -1.241 1.194 -1.756 1.000 2 B 97.985 1
ATOM 1810 C CB . ILE 147 147 ? B -1.790 1.465 -5.021 1.000 2 B 97.985 1
ATOM 1811 C CG1 . ILE 147 147 ? B -2.921 1.859 -5.977 1.000 2 B 97.985 1
ATOM 1812 C CG2 . ILE 147 147 ? B -1.901 -0.008 -4.617 1.000 2 B 97.985 1
ATOM 1813 C CD1 . ILE 147 147 ? B -2.923 1.081 -7.286 1.000 2 B 97.985 1
ATOM 1814 N N . VAL 148 148 ? B 0.457 2.149 -2.901 1.000 2 B 97.655 1
ATOM 1815 C CA . VAL 148 148 ? B 1.451 1.754 -1.908 1.000 2 B 97.655 1
ATOM 1816 C C . VAL 148 148 ? B 1.139 2.421 -0.571 1.000 2 B 97.655 1
ATOM 1817 O O . VAL 148 148 ? B 1.220 1.784 0.482 1.000 2 B 97.655 1
ATOM 1818 C CB . VAL 148 148 ? B 2.883 2.115 -2.363 1.000 2 B 97.655 1
ATOM 1819 C CG1 . VAL 148 148 ? B 3.885 1.873 -1.236 1.000 2 B 97.655 1
ATOM 1820 C CG2 . VAL 148 148 ? B 3.266 1.313 -3.605 1.000 2 B 97.655 1
ATOM 1821 N N . ALA 149 149 ? B 0.795 3.683 -0.628 1.000 2 B 97.062 1
ATOM 1822 C CA . ALA 149 149 ? B 0.419 4.409 0.583 1.000 2 B 97.062 1
ATOM 1823 C C . ALA 149 149 ? B -0.784 3.759 1.261 1.000 2 B 97.062 1
ATOM 1824 O O . ALA 149 149 ? B -0.841 3.673 2.490 1.000 2 B 97.062 1
ATOM 1825 C CB . ALA 149 149 ? B 0.117 5.869 0.256 1.000 2 B 97.062 1
ATOM 1826 N N . PHE 150 150 ? B -1.714 3.332 0.483 1.000 2 B 97.780 1
ATOM 1827 C CA . PHE 150 150 ? B -2.895 2.628 0.968 1.000 2 B 97.780 1
ATOM 1828 C C . PHE 150 150 ? B -2.499 1.384 1.754 1.000 2 B 97.780 1
ATOM 1829 O O . PHE 150 150 ? B -2.987 1.162 2.864 1.000 2 B 97.780 1
ATOM 1830 C CB . PHE 150 150 ? B -3.810 2.243 -0.199 1.000 2 B 97.780 1
ATOM 1831 C CG . PHE 150 150 ? B -4.901 1.278 0.178 1.000 2 B 97.780 1
ATOM 1832 C CD1 . PHE 150 150 ? B -4.906 -0.018 -0.325 1.000 2 B 97.780 1
ATOM 1833 C CD2 . PHE 150 150 ? B -5.922 1.666 1.036 1.000 2 B 97.780 1
ATOM 1834 C CE1 . PHE 150 150 ? B -5.914 -0.914 0.023 1.000 2 B 97.780 1
ATOM 1835 C CE2 . PHE 150 150 ? B -6.933 0.776 1.387 1.000 2 B 97.780 1
ATOM 1836 C CZ . PHE 150 150 ? B -6.928 -0.513 0.879 1.000 2 B 97.780 1
ATOM 1837 N N . PHE 151 151 ? B -1.593 0.584 1.188 1.000 2 B 97.975 1
ATOM 1838 C CA . PHE 151 151 ? B -1.139 -0.630 1.858 1.000 2 B 97.975 1
ATOM 1839 C C . PHE 151 151 ? B -0.389 -0.292 3.140 1.000 2 B 97.975 1
ATOM 1840 O O . PHE 151 151 ? B -0.575 -0.951 4.166 1.000 2 B 97.975 1
ATOM 1841 C CB . PHE 151 151 ? B -0.245 -1.455 0.928 1.000 2 B 97.975 1
ATOM 1842 C CG . PHE 151 151 ? B -1.005 -2.390 0.026 1.000 2 B 97.975 1
ATOM 1843 C CD1 . PHE 151 151 ? B -1.339 -3.670 0.450 1.000 2 B 97.975 1
ATOM 1844 C CD2 . PHE 151 151 ? B -1.386 -1.988 -1.248 1.000 2 B 97.975 1
ATOM 1845 C CE1 . PHE 151 151 ? B -2.042 -4.537 -0.382 1.000 2 B 97.975 1
ATOM 1846 C CE2 . PHE 151 151 ? B -2.089 -2.848 -2.086 1.000 2 B 97.975 1
ATOM 1847 C CZ . PHE 151 151 ? B -2.415 -4.123 -1.651 1.000 2 B 97.975 1
ATOM 1848 N N . GLU 152 152 ? B 0.361 0.689 3.070 1.000 2 B 97.031 1
ATOM 1849 C CA . GLU 152 152 ? B 1.128 1.096 4.244 1.000 2 B 97.031 1
ATOM 1850 C C . GLU 152 152 ? B 0.211 1.607 5.352 1.000 2 B 97.031 1
ATOM 1851 O O . GLU 152 152 ? B 0.413 1.292 6.527 1.000 2 B 97.031 1
ATOM 1852 C CB . GLU 152 152 ? B 2.152 2.171 3.872 1.000 2 B 97.031 1
ATOM 1853 C CG . GLU 152 152 ? B 3.339 1.641 3.081 1.000 2 B 97.031 1
ATOM 1854 C CD . GLU 152 152 ? B 4.136 0.585 3.830 1.000 2 B 97.031 1
ATOM 1855 O OE1 . GLU 152 152 ? B 4.496 -0.449 3.221 1.000 2 B 97.031 1
ATOM 1856 O OE2 . GLU 152 152 ? B 4.402 0.792 5.035 1.000 2 B 97.031 1
ATOM 1857 N N . PHE 153 153 ? B -0.689 2.395 4.969 1.000 2 B 95.787 1
ATOM 1858 C CA . PHE 153 153 ? B -1.673 2.877 5.931 1.000 2 B 95.787 1
ATOM 1859 C C . PHE 153 153 ? B -2.393 1.712 6.599 1.000 2 B 95.787 1
ATOM 1860 O O . PHE 153 153 ? B -2.526 1.678 7.824 1.000 2 B 95.787 1
ATOM 1861 C CB . PHE 153 153 ? B -2.689 3.799 5.248 1.000 2 B 95.787 1
ATOM 1862 C CG . PHE 153 153 ? B -3.858 4.167 6.121 1.000 2 B 95.787 1
ATOM 1863 C CD1 . PHE 153 153 ? B -5.140 3.731 5.809 1.000 2 B 95.787 1
ATOM 1864 C CD2 . PHE 153 153 ? B -3.675 4.950 7.253 1.000 2 B 95.787 1
ATOM 1865 C CE1 . PHE 153 153 ? B -6.224 4.070 6.616 1.000 2 B 95.787 1
ATOM 1866 C CE2 . PHE 153 153 ? B -4.753 5.293 8.063 1.000 2 B 95.787 1
ATOM 1867 C CZ . PHE 153 153 ? B -6.027 4.853 7.742 1.000 2 B 95.787 1
ATOM 1868 N N . GLY 154 154 ? B -2.873 0.778 5.834 1.000 2 B 96.219 1
ATOM 1869 C CA . GLY 154 154 ? B -3.509 -0.415 6.371 1.000 2 B 96.219 1
ATOM 1870 C C . GLY 154 154 ? B -2.604 -1.209 7.294 1.000 2 B 96.219 1
ATOM 1871 O O . GLY 154 154 ? B -3.037 -1.663 8.356 1.000 2 B 96.219 1
ATOM 1872 N N . GLY 155 155 ? B -1.352 -1.365 6.911 1.000 2 B 95.960 1
ATOM 1873 C CA . GLY 155 155 ? B -0.370 -2.051 7.736 1.000 2 B 95.960 1
ATOM 1874 C C . GLY 155 155 ? B -0.161 -1.392 9.086 1.000 2 B 95.960 1
ATOM 1875 O O . GLY 155 155 ? B -0.116 -2.072 10.114 1.000 2 B 95.960 1
ATOM 1876 N N . VAL 156 156 ? B -0.088 -0.099 9.053 1.000 2 B 94.072 1
ATOM 1877 C CA . VAL 156 156 ? B 0.116 0.671 10.275 1.000 2 B 94.072 1
ATOM 1878 C C . VAL 156 156 ? B -1.105 0.535 11.182 1.000 2 B 94.072 1
ATOM 1879 O O . VAL 156 156 ? B -0.969 0.372 12.397 1.000 2 B 94.072 1
ATOM 1880 C CB . VAL 156 156 ? B 0.389 2.161 9.969 1.000 2 B 94.072 1
ATOM 1881 C CG1 . VAL 156 156 ? B 0.278 3.003 11.239 1.000 2 B 94.072 1
ATOM 1882 C CG2 . VAL 156 156 ? B 1.766 2.330 9.330 1.000 2 B 94.072 1
ATOM 1883 N N . MET 157 157 ? B -2.247 0.554 10.605 1.000 2 B 93.829 1
ATOM 1884 C CA . MET 157 157 ? B -3.472 0.394 11.383 1.000 2 B 93.829 1
ATOM 1885 C C . MET 157 157 ? B -3.518 -0.976 12.050 1.000 2 B 93.829 1
ATOM 1886 O O . MET 157 157 ? B -3.959 -1.100 13.194 1.000 2 B 93.829 1
ATOM 1887 C CB . MET 157 157 ? B -4.703 0.585 10.495 1.000 2 B 93.829 1
ATOM 1888 C CG . MET 157 157 ? B -5.018 2.040 10.189 1.000 2 B 93.829 1
ATOM 1889 S SD . MET 157 157 ? B -6.710 2.266 9.515 1.000 2 B 93.829 1
ATOM 1890 C CE . MET 157 157 ? B -7.696 1.694 10.927 1.000 2 B 93.829 1
ATOM 1891 N N . CYS 158 158 ? B -3.036 -1.940 11.309 1.000 2 B 95.536 1
ATOM 1892 C CA . CYS 158 158 ? B -3.009 -3.293 11.854 1.000 2 B 95.536 1
ATOM 1893 C C . CYS 158 158 ? B -2.023 -3.395 13.011 1.000 2 B 95.536 1
ATOM 1894 O O . CYS 158 158 ? B -2.330 -3.995 14.043 1.000 2 B 95.536 1
ATOM 1895 C CB . CYS 158 158 ? B -2.640 -4.302 10.767 1.000 2 B 95.536 1
ATOM 1896 S SG . CYS 158 158 ? B -3.941 -4.560 9.541 1.000 2 B 95.536 1
ATOM 1897 N N . VAL 159 159 ? B -0.879 -2.857 12.847 1.000 2 B 94.925 1
ATOM 1898 C CA . VAL 159 159 ? B 0.137 -2.879 13.894 1.000 2 B 94.925 1
ATOM 1899 C C . VAL 159 159 ? B -0.379 -2.146 15.131 1.000 2 B 94.925 1
ATOM 1900 O O . VAL 159 159 ? B -0.245 -2.639 16.253 1.000 2 B 94.925 1
ATOM 1901 C CB . VAL 159 159 ? B 1.462 -2.246 13.413 1.000 2 B 94.925 1
ATOM 1902 C CG1 . VAL 159 159 ? B 2.420 -2.043 14.586 1.000 2 B 94.925 1
ATOM 1903 C CG2 . VAL 159 159 ? B 2.107 -3.116 12.336 1.000 2 B 94.925 1
ATOM 1904 N N . GLU 160 160 ? B -0.987 -1.052 14.895 1.000 2 B 93.516 1
ATOM 1905 C CA . GLU 160 160 ? B -1.539 -0.268 15.996 1.000 2 B 93.516 1
ATOM 1906 C C . GLU 160 160 ? B -2.669 -1.018 16.695 1.000 2 B 93.516 1
ATOM 1907 O O . GLU 160 160 ? B -2.807 -0.944 17.918 1.000 2 B 93.516 1
ATOM 1908 C CB . GLU 160 160 ? B -2.040 1.088 15.493 1.000 2 B 93.516 1
ATOM 1909 C CG . GLU 160 160 ? B -2.502 2.022 16.602 1.000 2 B 93.516 1
ATOM 1910 C CD . GLU 160 160 ? B -1.382 2.436 17.544 1.000 2 B 93.516 1
ATOM 1911 O OE1 . GLU 160 160 ? B -1.676 2.936 18.654 1.000 2 B 93.516 1
ATOM 1912 O OE2 . GLU 160 160 ? B -0.202 2.261 17.168 1.000 2 B 93.516 1
ATOM 1913 N N . SER 161 161 ? B -3.485 -1.687 15.962 1.000 2 B 93.928 1
ATOM 1914 C CA . SER 161 161 ? B -4.582 -2.467 16.525 1.000 2 B 93.928 1
ATOM 1915 C C . SER 161 161 ? B -4.065 -3.547 17.470 1.000 2 B 93.928 1
ATOM 1916 O O . SER 161 161 ? B -4.621 -3.752 18.551 1.000 2 B 93.928 1
ATOM 1917 C CB . SER 161 161 ? B -5.412 -3.107 15.411 1.000 2 B 93.928 1
ATOM 1918 O OG . SER 161 161 ? B -6.011 -2.115 14.597 1.000 2 B 93.928 1
ATOM 1919 N N . VAL 162 162 ? B -2.999 -4.248 17.018 1.000 2 B 94.714 1
ATOM 1920 C CA . VAL 162 162 ? B -2.412 -5.281 17.865 1.000 2 B 94.714 1
ATOM 1921 C C . VAL 162 162 ? B -1.789 -4.642 19.104 1.000 2 B 94.714 1
ATOM 1922 O O . VAL 162 162 ? B -1.931 -5.158 20.215 1.000 2 B 94.714 1
ATOM 1923 C CB . VAL 162 162 ? B -1.353 -6.107 17.102 1.000 2 B 94.714 1
ATOM 1924 C CG1 . VAL 162 162 ? B -0.653 -7.088 18.040 1.000 2 B 94.714 1
ATOM 1925 C CG2 . VAL 162 162 ? B -1.997 -6.849 15.932 1.000 2 B 94.714 1
ATOM 1926 N N . ASN 163 163 ? B -1.120 -3.515 18.927 1.000 2 B 93.949 1
ATOM 1927 C CA . ASN 163 163 ? B -0.475 -2.796 20.020 1.000 2 B 93.949 1
ATOM 1928 C C . ASN 163 163 ? B -1.486 -2.355 21.075 1.000 2 B 93.949 1
ATOM 1929 O O . ASN 163 163 ? B -1.191 -2.378 22.272 1.000 2 B 93.949 1
ATOM 1930 C CB . ASN 163 163 ? B 0.296 -1.587 19.486 1.000 2 B 93.949 1
ATOM 1931 C CG . ASN 163 163 ? B 1.178 -0.945 20.539 1.000 2 B 93.949 1
ATOM 1932 O OD1 . ASN 163 163 ? B 1.979 -1.619 21.191 1.000 2 B 93.949 1
ATOM 1933 N ND2 . ASN 163 163 ? B 1.036 0.364 20.713 1.000 2 B 93.949 1
ATOM 1934 N N . ARG 164 164 ? B -2.699 -2.161 20.688 1.000 2 B 93.353 1
ATOM 1935 C CA . ARG 164 164 ? B -3.745 -1.701 21.596 1.000 2 B 93.353 1
ATOM 1936 C C . ARG 164 164 ? B -4.635 -2.858 22.037 1.000 2 B 93.353 1
ATOM 1937 O O . ARG 164 164 ? B -5.720 -2.642 22.580 1.000 2 B 93.353 1
ATOM 1938 C CB . ARG 164 164 ? B -4.591 -0.612 20.933 1.000 2 B 93.353 1
ATOM 1939 C CG . ARG 164 164 ? B -3.834 0.678 20.664 1.000 2 B 93.353 1
ATOM 1940 C CD . ARG 164 164 ? B -4.741 1.752 20.079 1.000 2 B 93.353 1
ATOM 1941 N NE . ARG 164 164 ? B -4.002 2.976 19.779 1.000 2 B 93.353 1
ATOM 1942 C CZ . ARG 164 164 ? B -4.532 4.196 19.765 1.000 2 B 93.353 1
ATOM 1943 N NH1 . ARG 164 164 ? B -5.819 4.380 20.035 1.000 2 B 93.353 1
ATOM 1944 N NH2 . ARG 164 164 ? B -3.768 5.241 19.479 1.000 2 B 93.353 1
ATOM 1945 N N . GLU 165 165 ? B -4.195 -4.096 21.676 1.000 2 B 92.646 1
ATOM 1946 C CA . GLU 165 165 ? B -4.884 -5.321 22.069 1.000 2 B 92.646 1
ATOM 1947 C C . GLU 165 165 ? B -6.250 -5.427 21.396 1.000 2 B 92.646 1
ATOM 1948 O O . GLU 165 165 ? B -7.228 -5.835 22.026 1.000 2 B 92.646 1
ATOM 1949 C CB . GLU 165 165 ? B -5.042 -5.385 23.591 1.000 2 B 92.646 1
ATOM 1950 C CG . GLU 165 165 ? B -3.720 -5.421 24.345 1.000 2 B 92.646 1
ATOM 1951 C CD . GLU 165 165 ? B -3.892 -5.535 25.851 1.000 2 B 92.646 1
ATOM 1952 O OE1 . GLU 165 165 ? B -2.872 -5.593 26.575 1.000 2 B 92.646 1
ATOM 1953 O OE2 . GLU 165 165 ? B -5.055 -5.567 26.311 1.000 2 B 92.646 1
ATOM 1954 N N . MET 166 166 ? B -6.413 -4.876 20.241 1.000 2 B 93.447 1
ATOM 1955 C CA . MET 166 166 ? B -7.610 -5.002 19.415 1.000 2 B 93.447 1
ATOM 1956 C C . MET 166 166 ? B -7.345 -5.890 18.203 1.000 2 B 93.447 1
ATOM 1957 O O . MET 166 166 ? B -7.611 -5.493 17.067 1.000 2 B 93.447 1
ATOM 1958 C CB . MET 166 166 ? B -8.096 -3.626 18.957 1.000 2 B 93.447 1
ATOM 1959 C CG . MET 166 166 ? B -8.472 -2.697 20.101 1.000 2 B 93.447 1
ATOM 1960 S SD . MET 166 166 ? B -8.981 -1.033 19.518 1.000 2 B 93.447 1
ATOM 1961 C CE . MET 166 166 ? B -7.353 -0.262 19.294 1.000 2 B 93.447 1
ATOM 1962 N N . SER 167 167 ? B -6.820 -7.039 18.378 1.000 2 B 91.868 1
ATOM 1963 C CA . SER 167 167 ? B -6.317 -7.960 17.364 1.000 2 B 91.868 1
ATOM 1964 C C . SER 167 167 ? B -7.412 -8.342 16.373 1.000 2 B 91.868 1
ATOM 1965 O O . SER 167 167 ? B -7.162 -8.433 15.169 1.000 2 B 91.868 1
ATOM 1966 C CB . SER 167 167 ? B -5.748 -9.219 18.019 1.000 2 B 91.868 1
ATOM 1967 O OG . SER 167 167 ? B -4.571 -8.918 18.748 1.000 2 B 91.868 1
ATOM 1968 N N . PRO 168 168 ? B -8.704 -8.500 16.865 1.000 2 B 91.726 1
ATOM 1969 C CA . PRO 168 168 ? B -9.759 -8.842 15.907 1.000 2 B 91.726 1
ATOM 1970 C C . PRO 168 168 ? B -9.957 -7.768 14.840 1.000 2 B 91.726 1
ATOM 1971 O O . PRO 168 168 ? B -10.477 -8.056 13.758 1.000 2 B 91.726 1
ATOM 1972 C CB . PRO 168 168 ? B -11.005 -8.973 16.787 1.000 2 B 91.726 1
ATOM 1973 C CG . PRO 168 168 ? B -10.478 -9.274 18.153 1.000 2 B 91.726 1
ATOM 1974 C CD . PRO 168 168 ? B -9.157 -8.580 18.319 1.000 2 B 91.726 1
ATOM 1975 N N . LEU 169 169 ? B -9.483 -6.570 15.118 1.000 2 B 93.234 1
ATOM 1976 C CA . LEU 169 169 ? B -9.603 -5.466 14.172 1.000 2 B 93.234 1
ATOM 1977 C C . LEU 169 169 ? B -8.721 -5.700 12.950 1.000 2 B 93.234 1
ATOM 1978 O O . LEU 169 169 ? B -9.040 -5.238 11.852 1.000 2 B 93.234 1
ATOM 1979 C CB . LEU 169 169 ? B -9.226 -4.142 14.842 1.000 2 B 93.234 1
ATOM 1980 C CG . LEU 169 169 ? B -9.547 -2.869 14.057 1.000 2 B 93.234 1
ATOM 1981 C CD1 . LEU 169 169 ? B -11.045 -2.779 13.785 1.000 2 B 93.234 1
ATOM 1982 C CD2 . LEU 169 169 ? B -9.060 -1.638 14.812 1.000 2 B 93.234 1
ATOM 1983 N N . VAL 170 170 ? B -7.684 -6.489 13.145 1.000 2 B 95.646 1
ATOM 1984 C CA . VAL 170 170 ? B -6.753 -6.785 12.061 1.000 2 B 95.646 1
ATOM 1985 C C . VAL 170 170 ? B -7.482 -7.527 10.943 1.000 2 B 95.646 1
ATOM 1986 O O . VAL 170 170 ? B -7.325 -7.198 9.765 1.000 2 B 95.646 1
ATOM 1987 C CB . VAL 170 170 ? B -5.550 -7.618 12.557 1.000 2 B 95.646 1
ATOM 1988 C CG1 . VAL 170 170 ? B -4.651 -8.016 11.388 1.000 2 B 95.646 1
ATOM 1989 C CG2 . VAL 170 170 ? B -4.757 -6.837 13.604 1.000 2 B 95.646 1
ATOM 1990 N N . ASP 171 171 ? B -8.322 -8.517 11.311 1.000 2 B 94.944 1
ATOM 1991 C CA . ASP 171 171 ? B -9.100 -9.265 10.327 1.000 2 B 94.944 1
ATOM 1992 C C . ASP 171 171 ? B -10.070 -8.350 9.583 1.000 2 B 94.944 1
ATOM 1993 O O . ASP 171 171 ? B -10.228 -8.463 8.366 1.000 2 B 94.944 1
ATOM 1994 C CB . ASP 171 171 ? B -9.864 -10.406 11.002 1.000 2 B 94.944 1
ATOM 1995 C CG . ASP 171 171 ? B -8.954 -11.512 11.507 1.000 2 B 94.944 1
ATOM 1996 O OD1 . ASP 171 171 ? B -7.898 -11.763 10.888 1.000 2 B 94.944 1
ATOM 1997 O OD2 . ASP 171 171 ? B -9.299 -12.140 12.532 1.000 2 B 94.944 1
ATOM 1998 N N . ASN 172 172 ? B -10.690 -7.443 10.312 1.000 2 B 94.871 1
ATOM 1999 C CA . ASN 172 172 ? B -11.621 -6.498 9.703 1.000 2 B 94.871 1
ATOM 2000 C C . ASN 172 172 ? B -10.909 -5.553 8.739 1.000 2 B 94.871 1
ATOM 2001 O O . ASN 172 172 ? B -11.409 -5.283 7.646 1.000 2 B 94.871 1
ATOM 2002 C CB . ASN 172 172 ? B -12.357 -5.700 10.782 1.000 2 B 94.871 1
ATOM 2003 C CG . ASN 172 172 ? B -13.347 -6.545 11.559 1.000 2 B 94.871 1
ATOM 2004 O OD1 . ASN 172 172 ? B -13.974 -7.453 11.008 1.000 2 B 94.871 1
ATOM 2005 N ND2 . ASN 172 172 ? B -13.494 -6.253 12.846 1.000 2 B 94.871 1
ATOM 2006 N N . ILE 173 173 ? B -9.775 -5.068 9.138 1.000 2 B 95.528 1
ATOM 2007 C CA . ILE 173 173 ? B -9.008 -4.153 8.299 1.000 2 B 95.528 1
ATOM 2008 C C . ILE 173 173 ? B -8.597 -4.858 7.009 1.000 2 B 95.528 1
ATOM 2009 O O . ILE 173 173 ? B -8.687 -4.281 5.922 1.000 2 B 95.528 1
ATOM 2010 C CB . ILE 173 173 ? B -7.761 -3.620 9.039 1.000 2 B 95.528 1
ATOM 2011 C CG1 . ILE 173 173 ? B -8.177 -2.710 10.200 1.000 2 B 95.528 1
ATOM 2012 C CG2 . ILE 173 173 ? B -6.833 -2.881 8.070 1.000 2 B 95.528 1
ATOM 2013 C CD1 . ILE 173 173 ? B -7.040 -2.356 11.148 1.000 2 B 95.528 1
ATOM 2014 N N . ALA 174 174 ? B -8.113 -6.105 7.108 1.000 2 B 96.475 1
ATOM 2015 C CA . ALA 174 174 ? B -7.761 -6.886 5.925 1.000 2 B 96.475 1
ATOM 2016 C C . ALA 174 174 ? B -8.956 -7.029 4.987 1.000 2 B 96.475 1
ATOM 2017 O O . ALA 174 174 ? B -8.815 -6.899 3.769 1.000 2 B 96.475 1
ATOM 2018 C CB . ALA 174 174 ? B -7.241 -8.263 6.332 1.000 2 B 96.475 1
ATOM 2019 N N . LEU 175 175 ? B -10.095 -7.281 5.572 1.000 2 B 96.093 1
ATOM 2020 C CA . LEU 175 175 ? B -11.318 -7.404 4.788 1.000 2 B 96.093 1
ATOM 2021 C C . LEU 175 175 ? B -11.657 -6.087 4.098 1.000 2 B 96.093 1
ATOM 2022 O O . LEU 175 175 ? B -11.994 -6.071 2.912 1.000 2 B 96.093 1
ATOM 2023 C CB . LEU 175 175 ? B -12.484 -7.842 5.678 1.000 2 B 96.093 1
ATOM 2024 C CG . LEU 175 175 ? B -13.797 -8.169 4.964 1.000 2 B 96.093 1
ATOM 2025 C CD1 . LEU 175 175 ? B -14.487 -9.350 5.638 1.000 2 B 96.093 1
ATOM 2026 C CD2 . LEU 175 175 ? B -14.712 -6.949 4.943 1.000 2 B 96.093 1
ATOM 2027 N N . TRP 176 176 ? B -11.576 -5.040 4.808 1.000 2 B 96.608 1
ATOM 2028 C CA . TRP 176 176 ? B -11.882 -3.722 4.261 1.000 2 B 96.608 1
ATOM 2029 C C . TRP 176 176 ? B -10.915 -3.361 3.138 1.000 2 B 96.608 1
ATOM 2030 O O . TRP 176 176 ? B -11.325 -2.826 2.106 1.000 2 B 96.608 1
ATOM 2031 C CB . TRP 176 176 ? B -11.827 -2.658 5.360 1.000 2 B 96.608 1
ATOM 2032 C CG . TRP 176 176 ? B -12.770 -2.910 6.499 1.000 2 B 96.608 1
ATOM 2033 C CD1 . TRP 176 176 ? B -13.931 -3.630 6.463 1.000 2 B 96.608 1
ATOM 2034 C CD2 . TRP 176 176 ? B -12.631 -2.437 7.842 1.000 2 B 96.608 1
ATOM 2035 N NE1 . TRP 176 176 ? B -14.524 -3.634 7.705 1.000 2 B 96.608 1
ATOM 2036 C CE2 . TRP 176 176 ? B -13.747 -2.910 8.568 1.000 2 B 96.608 1
ATOM 2037 C CE3 . TRP 176 176 ? B -11.671 -1.660 8.503 1.000 2 B 96.608 1
ATOM 2038 C CZ2 . TRP 176 176 ? B -13.928 -2.630 9.925 1.000 2 B 96.608 1
ATOM 2039 C CZ3 . TRP 176 176 ? B -11.853 -1.382 9.853 1.000 2 B 96.608 1
ATOM 2040 C CH2 . TRP 176 176 ? B -12.974 -1.867 10.548 1.000 2 B 96.608 1
ATOM 2041 N N . MET 177 177 ? B -9.706 -3.608 3.342 1.000 2 B 97.785 1
ATOM 2042 C CA . MET 177 177 ? B -8.702 -3.335 2.318 1.000 2 B 97.785 1
ATOM 2043 C C . MET 177 177 ? B -8.996 -4.121 1.044 1.000 2 B 97.785 1
ATOM 2044 O O . MET 177 177 ? B -8.951 -3.567 -0.056 1.000 2 B 97.785 1
ATOM 2045 C CB . MET 177 177 ? B -7.302 -3.676 2.832 1.000 2 B 97.785 1
ATOM 2046 C CG . MET 177 177 ? B -6.790 -2.719 3.896 1.000 2 B 97.785 1
ATOM 2047 S SD . MET 177 177 ? B -5.079 -3.112 4.429 1.000 2 B 97.785 1
ATOM 2048 C CE . MET 177 177 ? B -4.150 -2.521 2.987 1.000 2 B 97.785 1
ATOM 2049 N N . THR 178 178 ? B -9.257 -5.415 1.263 1.000 2 B 96.853 1
ATOM 2050 C CA . THR 178 178 ? B -9.552 -6.290 0.134 1.000 2 B 96.853 1
ATOM 2051 C C . THR 178 178 ? B -10.799 -5.817 -0.607 1.000 2 B 96.853 1
ATOM 2052 O O . THR 178 178 ? B -10.816 -5.775 -1.839 1.000 2 B 96.853 1
ATOM 2053 C CB . THR 178 178 ? B -9.746 -7.747 0.593 1.000 2 B 96.853 1
ATOM 2054 O OG1 . THR 178 178 ? B -8.553 -8.200 1.245 1.000 2 B 96.853 1
ATOM 2055 C CG2 . THR 178 178 ? B -10.043 -8.662 -0.591 1.000 2 B 96.853 1
ATOM 2056 N N . GLU 179 179 ? B -11.825 -5.494 0.132 1.000 2 B 96.454 1
ATOM 2057 C CA . GLU 179 179 ? B -13.067 -5.007 -0.461 1.000 2 B 96.454 1
ATOM 2058 C C . GLU 179 179 ? B -12.828 -3.741 -1.279 1.000 2 B 96.454 1
ATOM 2059 O O . GLU 179 179 ? B -13.343 -3.609 -2.391 1.000 2 B 96.454 1
ATOM 2060 C CB . GLU 179 179 ? B -14.113 -4.741 0.625 1.000 2 B 96.454 1
ATOM 2061 C CG . GLU 179 179 ? B -15.473 -4.330 0.081 1.000 2 B 96.454 1
ATOM 2062 C CD . GLU 179 179 ? B -16.528 -4.169 1.163 1.000 2 B 96.454 1
ATOM 2063 O OE1 . GLU 179 179 ? B -17.681 -3.805 0.838 1.000 2 B 96.454 1
ATOM 2064 O OE2 . GLU 179 179 ? B -16.200 -4.407 2.347 1.000 2 B 96.454 1
ATOM 2065 N N . TYR 180 180 ? B -12.047 -2.858 -0.732 1.000 2 B 96.917 1
ATOM 2066 C CA . TYR 180 180 ? B -11.787 -1.599 -1.422 1.000 2 B 96.917 1
ATOM 2067 C C . TYR 180 180 ? B -10.987 -1.832 -2.698 1.000 2 B 96.917 1
ATOM 2068 O O . TYR 180 180 ? B -11.295 -1.257 -3.745 1.000 2 B 96.917 1
ATOM 2069 C CB . TYR 180 180 ? B -11.036 -0.628 -0.506 1.000 2 B 96.917 1
ATOM 2070 C CG . TYR 180 180 ? B -11.051 0.800 -0.993 1.000 2 B 96.917 1
ATOM 2071 C CD1 . TYR 180 180 ? B -10.021 1.296 -1.788 1.000 2 B 96.917 1
ATOM 2072 C CD2 . TYR 180 180 ? B -12.094 1.657 -0.657 1.000 2 B 96.917 1
ATOM 2073 C CE1 . TYR 180 180 ? B -10.029 2.613 -2.238 1.000 2 B 96.917 1
ATOM 2074 C CE2 . TYR 180 180 ? B -12.113 2.975 -1.101 1.000 2 B 96.917 1
ATOM 2075 C CZ . TYR 180 180 ? B -11.078 3.443 -1.890 1.000 2 B 96.917 1
ATOM 2076 O OH . TYR 180 180 ? B -11.091 4.747 -2.332 1.000 2 B 96.917 1
ATOM 2077 N N . LEU 181 181 ? B -9.999 -2.662 -2.667 1.000 2 B 96.479 1
ATOM 2078 C CA . LEU 181 181 ? B -9.178 -2.994 -3.826 1.000 2 B 96.479 1
ATOM 2079 C C . LEU 181 181 ? B -10.023 -3.621 -4.929 1.000 2 B 96.479 1
ATOM 2080 O O . LEU 181 181 ? B -9.878 -3.272 -6.103 1.000 2 B 96.479 1
ATOM 2081 C CB . LEU 181 181 ? B -8.049 -3.948 -3.427 1.000 2 B 96.479 1
ATOM 2082 C CG . LEU 181 181 ? B -6.798 -3.304 -2.827 1.000 2 B 96.479 1
ATOM 2083 C CD1 . LEU 181 181 ? B -5.843 -4.378 -2.314 1.000 2 B 96.479 1
ATOM 2084 C CD2 . LEU 181 181 ? B -6.108 -2.414 -3.855 1.000 2 B 96.479 1
ATOM 2085 N N . ASN 182 182 ? B -10.905 -4.505 -4.545 1.000 2 B 95.529 1
ATOM 2086 C CA . ASN 182 182 ? B -11.722 -5.232 -5.510 1.000 2 B 95.529 1
ATOM 2087 C C . ASN 182 182 ? B -12.792 -4.336 -6.127 1.000 2 B 95.529 1
ATOM 2088 O O . ASN 182 182 ? B -13.041 -4.399 -7.332 1.000 2 B 95.529 1
ATOM 2089 C CB . ASN 182 182 ? B -12.367 -6.455 -4.854 1.000 2 B 95.529 1
ATOM 2090 C CG . ASN 182 182 ? B -11.383 -7.587 -4.635 1.000 2 B 95.529 1
ATOM 2091 O OD1 . ASN 182 182 ? B -10.388 -7.710 -5.355 1.000 2 B 95.529 1
ATOM 2092 N ND2 . ASN 182 182 ? B -11.652 -8.423 -3.638 1.000 2 B 95.529 1
ATOM 2093 N N . ARG 183 183 ? B -13.273 -3.457 -5.339 1.000 2 B 94.832 1
ATOM 2094 C CA . ARG 183 183 ? B -14.419 -2.678 -5.797 1.000 2 B 94.832 1
ATOM 2095 C C . ARG 183 183 ? B -13.968 -1.400 -6.496 1.000 2 B 94.832 1
ATOM 2096 O O . ARG 183 183 ? B -14.510 -1.033 -7.541 1.000 2 B 94.832 1
ATOM 2097 C CB . ARG 183 183 ? B -15.340 -2.336 -4.624 1.000 2 B 94.832 1
ATOM 2098 C CG . ARG 183 183 ? B -16.177 -3.508 -4.136 1.000 2 B 94.832 1
ATOM 2099 C CD . ARG 183 183 ? B -17.176 -3.082 -3.069 1.000 2 B 94.832 1
ATOM 2100 N NE . ARG 183 183 ? B -18.418 -2.591 -3.659 1.000 2 B 94.832 1
ATOM 2101 C CZ . ARG 183 183 ? B -19.550 -2.395 -2.989 1.000 2 B 94.832 1
ATOM 2102 N NH1 . ARG 183 183 ? B -19.619 -2.646 -1.686 1.000 2 B 94.832 1
ATOM 2103 N NH2 . ARG 183 183 ? B -20.622 -1.945 -3.625 1.000 2 B 94.832 1
ATOM 2104 N N . HIS 184 184 ? B -12.979 -0.816 -5.939 1.000 2 B 95.186 1
ATOM 2105 C CA . HIS 184 184 ? B -12.720 0.541 -6.407 1.000 2 B 95.186 1
ATOM 2106 C C . HIS 184 184 ? B -11.426 0.609 -7.211 1.000 2 B 95.186 1
ATOM 2107 O O . HIS 184 184 ? B -11.284 1.457 -8.095 1.000 2 B 95.186 1
ATOM 2108 C CB . HIS 184 184 ? B -12.656 1.512 -5.226 1.000 2 B 95.186 1
ATOM 2109 C CG . HIS 184 184 ? B -13.938 1.614 -4.463 1.000 2 B 95.186 1
ATOM 2110 N ND1 . HIS 184 184 ? B -15.030 2.312 -4.933 1.000 2 B 95.186 1
ATOM 2111 C CD2 . HIS 184 184 ? B -14.302 1.104 -3.263 1.000 2 B 95.186 1
ATOM 2112 C CE1 . HIS 184 184 ? B -16.012 2.226 -4.051 1.000 2 B 95.186 1
ATOM 2113 N NE2 . HIS 184 184 ? B -15.596 1.498 -3.029 1.000 2 B 95.186 1
ATOM 2114 N N . LEU 185 185 ? B -10.505 -0.300 -6.969 1.000 2 B 96.453 1
ATOM 2115 C CA . LEU 185 185 ? B -9.179 -0.140 -7.557 1.000 2 B 96.453 1
ATOM 2116 C C . LEU 185 185 ? B -8.923 -1.203 -8.619 1.000 2 B 96.453 1
ATOM 2117 O O . LEU 185 185 ? B -8.019 -1.057 -9.444 1.000 2 B 96.453 1
ATOM 2118 C CB . LEU 185 185 ? B -8.100 -0.214 -6.473 1.000 2 B 96.453 1
ATOM 2119 C CG . LEU 185 185 ? B -8.117 0.898 -5.423 1.000 2 B 96.453 1
ATOM 2120 C CD1 . LEU 185 185 ? B -6.951 0.729 -4.454 1.000 2 B 96.453 1
ATOM 2121 C CD2 . LEU 185 185 ? B -8.068 2.267 -6.092 1.000 2 B 96.453 1
ATOM 2122 N N . HIS 186 186 ? B -9.785 -2.249 -8.655 1.000 2 B 94.846 1
ATOM 2123 C CA . HIS 186 186 ? B -9.554 -3.392 -9.530 1.000 2 B 94.846 1
ATOM 2124 C C . HIS 186 186 ? B -9.517 -2.966 -10.994 1.000 2 B 94.846 1
ATOM 2125 O O . HIS 186 186 ? B -8.594 -3.329 -11.728 1.000 2 B 94.846 1
ATOM 2126 C CB . HIS 186 186 ? B -10.633 -4.456 -9.320 1.000 2 B 94.846 1
ATOM 2127 C CG . HIS 186 186 ? B -10.451 -5.672 -10.172 1.000 2 B 94.846 1
ATOM 2128 N ND1 . HIS 186 186 ? B -9.463 -6.604 -9.936 1.000 2 B 94.846 1
ATOM 2129 C CD2 . HIS 186 186 ? B -11.134 -6.108 -11.256 1.000 2 B 94.846 1
ATOM 2130 C CE1 . HIS 186 186 ? B -9.547 -7.564 -10.843 1.000 2 B 94.846 1
ATOM 2131 N NE2 . HIS 186 186 ? B -10.552 -7.287 -11.655 1.000 2 B 94.846 1
ATOM 2132 N N . THR 187 187 ? B -10.495 -2.160 -11.370 1.000 2 B 94.462 1
ATOM 2133 C CA . THR 187 187 ? B -10.588 -1.736 -12.762 1.000 2 B 94.462 1
ATOM 2134 C C . THR 187 187 ? B -9.379 -0.891 -13.153 1.000 2 B 94.462 1
ATOM 2135 O O . THR 187 187 ? B -8.804 -1.081 -14.227 1.000 2 B 94.462 1
ATOM 2136 C CB . THR 187 187 ? B -11.880 -0.937 -13.017 1.000 2 B 94.462 1
ATOM 2137 O OG1 . THR 187 187 ? B -13.011 -1.742 -12.664 1.000 2 B 94.462 1
ATOM 2138 C CG2 . THR 187 187 ? B -11.996 -0.534 -14.484 1.000 2 B 94.462 1
ATOM 2139 N N . TRP 188 188 ? B -9.007 0.054 -12.281 1.000 2 B 95.828 1
ATOM 2140 C CA . TRP 188 188 ? B -7.862 0.915 -12.556 1.000 2 B 95.828 1
ATOM 2141 C C . TRP 188 188 ? B -6.582 0.096 -12.683 1.000 2 B 95.828 1
ATOM 2142 O O . TRP 188 188 ? B -5.783 0.320 -13.596 1.000 2 B 95.828 1
ATOM 2143 C CB . TRP 188 188 ? B -7.702 1.966 -11.453 1.000 2 B 95.828 1
ATOM 2144 C CG . TRP 188 188 ? B -6.645 2.990 -11.736 1.000 2 B 95.828 1
ATOM 2145 C CD1 . TRP 188 188 ? B -6.812 4.195 -12.361 1.000 2 B 95.828 1
ATOM 2146 C CD2 . TRP 188 188 ? B -5.256 2.897 -11.408 1.000 2 B 95.828 1
ATOM 2147 N NE1 . TRP 188 188 ? B -5.608 4.857 -12.441 1.000 2 B 95.828 1
ATOM 2148 C CE2 . TRP 188 188 ? B -4.638 4.083 -11.864 1.000 2 B 95.828 1
ATOM 2149 C CE3 . TRP 188 188 ? B -4.472 1.925 -10.771 1.000 2 B 95.828 1
ATOM 2150 C CZ2 . TRP 188 188 ? B -3.271 4.323 -11.702 1.000 2 B 95.828 1
ATOM 2151 C CZ3 . TRP 188 188 ? B -3.112 2.166 -10.612 1.000 2 B 95.828 1
ATOM 2152 C CH2 . TRP 188 188 ? B -2.528 3.356 -11.076 1.000 2 B 95.828 1
ATOM 2153 N N . ILE 189 189 ? B -6.333 -0.843 -11.809 1.000 2 B 95.111 1
ATOM 2154 C CA . ILE 189 189 ? B -5.147 -1.692 -11.791 1.000 2 B 95.111 1
ATOM 2155 C C . ILE 189 189 ? B -5.067 -2.494 -13.088 1.000 2 B 95.111 1
ATOM 2156 O O . ILE 189 189 ? B -4.012 -2.554 -13.724 1.000 2 B 95.111 1
ATOM 2157 C CB . ILE 189 189 ? B -5.151 -2.643 -10.573 1.000 2 B 95.111 1
ATOM 2158 C CG1 . ILE 189 189 ? B -4.951 -1.850 -9.276 1.000 2 B 95.111 1
ATOM 2159 C CG2 . ILE 189 189 ? B -4.076 -3.722 -10.727 1.000 2 B 95.111 1
ATOM 2160 C CD1 . ILE 189 189 ? B -5.169 -2.667 -8.011 1.000 2 B 95.111 1
ATOM 2161 N N . GLN 190 190 ? B -6.157 -3.026 -13.510 1.000 2 B 93.771 1
ATOM 2162 C CA . GLN 190 190 ? B -6.182 -3.819 -14.735 1.000 2 B 93.771 1
ATOM 2163 C C . GLN 190 190 ? B -5.927 -2.946 -15.961 1.000 2 B 93.771 1
ATOM 2164 O O . GLN 190 190 ? B -5.202 -3.346 -16.874 1.000 2 B 93.771 1
ATOM 2165 C CB . GLN 190 190 ? B -7.519 -4.547 -14.878 1.000 2 B 93.771 1
ATOM 2166 C CG . GLN 190 190 ? B -7.729 -5.655 -13.855 1.000 2 B 93.771 1
ATOM 2167 C CD . GLN 190 190 ? B -6.615 -6.686 -13.870 1.000 2 B 93.771 1
ATOM 2168 O OE1 . GLN 190 190 ? B -6.153 -7.105 -14.936 1.000 2 B 93.771 1
ATOM 2169 N NE2 . GLN 190 190 ? B -6.177 -7.103 -12.687 1.000 2 B 93.771 1
ATOM 2170 N N . ASP 191 191 ? B -6.544 -1.709 -15.955 1.000 2 B 94.951 1
ATOM 2171 C CA . ASP 191 191 ? B -6.382 -0.783 -17.072 1.000 2 B 94.951 1
ATOM 2172 C C . ASP 191 191 ? B -4.938 -0.299 -17.179 1.000 2 B 94.951 1
ATOM 2173 O O . ASP 191 191 ? B -4.514 0.177 -18.234 1.000 2 B 94.951 1
ATOM 2174 C CB . ASP 191 191 ? B -7.327 0.411 -16.920 1.000 2 B 94.951 1
ATOM 2175 C CG . ASP 191 191 ? B -8.781 0.053 -17.178 1.000 2 B 94.951 1
ATOM 2176 O OD1 . ASP 191 191 ? B -9.053 -1.037 -17.725 1.000 2 B 94.951 1
ATOM 2177 O OD2 . ASP 191 191 ? B -9.661 0.870 -16.833 1.000 2 B 94.951 1
ATOM 2178 N N . ASN 192 192 ? B -4.200 -0.452 -16.137 1.000 2 B 94.385 1
ATOM 2179 C CA . ASN 192 192 ? B -2.816 0.010 -16.131 1.000 2 B 94.385 1
ATOM 2180 C C . ASN 192 192 ? B -1.835 -1.157 -16.173 1.000 2 B 94.385 1
ATOM 2181 O O . ASN 192 192 ? B -0.685 -1.023 -15.749 1.000 2 B 94.385 1
ATOM 2182 C CB . ASN 192 192 ? B -2.548 0.885 -14.904 1.000 2 B 94.385 1
ATOM 2183 C CG . ASN 192 192 ? B -3.143 2.273 -15.036 1.000 2 B 94.385 1
ATOM 2184 O OD1 . ASN 192 192 ? B -2.518 3.180 -15.592 1.000 2 B 94.385 1
ATOM 2185 N ND2 . ASN 192 192 ? B -4.357 2.449 -14.527 1.000 2 B 94.385 1
ATOM 2186 N N . GLY 193 193 ? B -2.255 -2.360 -16.675 1.000 2 B 92.462 1
ATOM 2187 C CA . GLY 193 193 ? B -1.361 -3.480 -16.923 1.000 2 B 92.462 1
ATOM 2188 C C . GLY 193 193 ? B -1.363 -4.504 -15.804 1.000 2 B 92.462 1
ATOM 2189 O O . GLY 193 193 ? B -0.544 -5.425 -15.797 1.000 2 B 92.462 1
ATOM 2190 N N . GLY 194 194 ? B -2.146 -4.259 -14.754 1.000 2 B 92.990 1
ATOM 2191 C CA . GLY 194 194 ? B -2.212 -5.190 -13.639 1.000 2 B 92.990 1
ATOM 2192 C C . GLY 194 194 ? B -1.024 -5.085 -12.702 1.000 2 B 92.990 1
ATOM 2193 O O . GLY 194 194 ? B -0.273 -4.109 -12.751 1.000 2 B 92.990 1
ATOM 2194 N N . TRP 195 195 ? B -0.926 -6.010 -11.829 1.000 2 B 93.646 1
ATOM 2195 C CA . TRP 195 195 ? B 0.144 -6.032 -10.836 1.000 2 B 93.646 1
ATOM 2196 C C . TRP 195 195 ? B 1.496 -6.275 -11.498 1.000 2 B 93.646 1
ATOM 2197 O O . TRP 195 195 ? B 2.538 -5.919 -10.944 1.000 2 B 93.646 1
ATOM 2198 C CB . TRP 195 195 ? B -0.123 -7.108 -9.780 1.000 2 B 93.646 1
ATOM 2199 C CG . TRP 195 195 ? B -1.234 -6.769 -8.832 1.000 2 B 93.646 1
ATOM 2200 C CD1 . TRP 195 195 ? B -2.498 -7.291 -8.823 1.000 2 B 93.646 1
ATOM 2201 C CD2 . TRP 195 195 ? B -1.182 -5.826 -7.758 1.000 2 B 93.646 1
ATOM 2202 N NE1 . TRP 195 195 ? B -3.234 -6.730 -7.805 1.000 2 B 93.646 1
ATOM 2203 C CE2 . TRP 195 195 ? B -2.450 -5.828 -7.137 1.000 2 B 93.646 1
ATOM 2204 C CE3 . TRP 195 195 ? B -0.183 -4.979 -7.258 1.000 2 B 93.646 1
ATOM 2205 C CZ2 . TRP 195 195 ? B -2.747 -5.015 -6.040 1.000 2 B 93.646 1
ATOM 2206 C CZ3 . TRP 195 195 ? B -0.480 -4.170 -6.167 1.000 2 B 93.646 1
ATOM 2207 C CH2 . TRP 195 195 ? B -1.752 -4.196 -5.572 1.000 2 B 93.646 1
ATOM 2208 N N . ASP 196 196 ? B 1.483 -6.805 -12.694 1.000 2 B 91.956 1
ATOM 2209 C CA . ASP 196 196 ? B 2.724 -6.984 -13.441 1.000 2 B 91.956 1
ATOM 2210 C C . ASP 196 196 ? B 3.367 -5.638 -13.769 1.000 2 B 91.956 1
ATOM 2211 O O . ASP 196 196 ? B 4.592 -5.501 -13.722 1.000 2 B 91.956 1
ATOM 2212 C CB . ASP 196 196 ? B 2.468 -7.772 -14.727 1.000 2 B 91.956 1
ATOM 2213 C CG . ASP 196 196 ? B 2.108 -9.225 -14.471 1.000 2 B 91.956 1
ATOM 2214 O OD1 . ASP 196 196 ? B 2.617 -9.816 -13.494 1.000 2 B 91.956 1
ATOM 2215 O OD2 . ASP 196 196 ? B 1.312 -9.784 -15.255 1.000 2 B 91.956 1
ATOM 2216 N N . ALA 197 197 ? B 2.497 -4.703 -14.154 1.000 2 B 92.595 1
ATOM 2217 C CA . ALA 197 197 ? B 2.987 -3.352 -14.412 1.000 2 B 92.595 1
ATOM 2218 C C . ALA 197 197 ? B 3.594 -2.738 -13.153 1.000 2 B 92.595 1
ATOM 2219 O O . ALA 197 197 ? B 4.594 -2.021 -13.224 1.000 2 B 92.595 1
ATOM 2220 C CB . ALA 197 197 ? B 1.860 -2.468 -14.941 1.000 2 B 92.595 1
ATOM 2221 N N . PHE 198 198 ? B 2.953 -3.024 -12.053 1.000 2 B 94.478 1
ATOM 2222 C CA . PHE 198 198 ? B 3.478 -2.564 -10.774 1.000 2 B 94.478 1
ATOM 2223 C C . PHE 198 198 ? B 4.883 -3.105 -10.539 1.000 2 B 94.478 1
ATOM 2224 O O . PHE 198 198 ? B 5.789 -2.356 -10.168 1.000 2 B 94.478 1
ATOM 2225 C CB . PHE 198 198 ? B 2.554 -2.987 -9.628 1.000 2 B 94.478 1
ATOM 2226 C CG . PHE 198 198 ? B 3.129 -2.738 -8.260 1.000 2 B 94.478 1
ATOM 2227 C CD1 . PHE 198 198 ? B 3.653 -3.783 -7.509 1.000 2 B 94.478 1
ATOM 2228 C CD2 . PHE 198 198 ? B 3.146 -1.457 -7.724 1.000 2 B 94.478 1
ATOM 2229 C CE1 . PHE 198 198 ? B 4.186 -3.555 -6.243 1.000 2 B 94.478 1
ATOM 2230 C CE2 . PHE 198 198 ? B 3.677 -1.221 -6.459 1.000 2 B 94.478 1
ATOM 2231 C CZ . PHE 198 198 ? B 4.196 -2.272 -5.720 1.000 2 B 94.478 1
ATOM 2232 N N . VAL 199 199 ? B 5.050 -4.358 -10.710 1.000 2 B 93.100 1
ATOM 2233 C CA . VAL 199 199 ? B 6.336 -5.019 -10.516 1.000 2 B 93.100 1
ATOM 2234 C C . VAL 199 199 ? B 7.374 -4.421 -11.463 1.000 2 B 93.100 1
ATOM 2235 O O . VAL 199 199 ? B 8.525 -4.205 -11.076 1.000 2 B 93.100 1
ATOM 2236 C CB . VAL 199 199 ? B 6.230 -6.545 -10.737 1.000 2 B 93.100 1
ATOM 2237 C CG1 . VAL 199 199 ? B 7.616 -7.187 -10.749 1.000 2 B 93.100 1
ATOM 2238 C CG2 . VAL 199 199 ? B 5.352 -7.180 -9.661 1.000 2 B 93.100 1
ATOM 2239 N N . GLU 200 200 ? B 6.957 -4.188 -12.609 1.000 2 B 91.959 1
ATOM 2240 C CA . GLU 200 200 ? B 7.851 -3.593 -13.598 1.000 2 B 91.959 1
ATOM 2241 C C . GLU 200 200 ? B 8.301 -2.200 -13.167 1.000 2 B 91.959 1
ATOM 2242 O O . GLU 200 200 ? B 9.470 -1.842 -13.328 1.000 2 B 91.959 1
ATOM 2243 C CB . GLU 200 200 ? B 7.170 -3.526 -14.967 1.000 2 B 91.959 1
ATOM 2244 C CG . GLU 200 200 ? B 8.085 -3.050 -16.086 1.000 2 B 91.959 1
ATOM 2245 C CD . GLU 200 200 ? B 7.419 -3.062 -17.452 1.000 2 B 91.959 1
ATOM 2246 O OE1 . GLU 200 200 ? B 8.037 -2.590 -18.434 1.000 2 B 91.959 1
ATOM 2247 O OE2 . GLU 200 200 ? B 6.268 -3.546 -17.542 1.000 2 B 91.959 1
ATOM 2248 N N . LEU 201 201 ? B 7.346 -1.475 -12.601 1.000 2 B 91.986 1
ATOM 2249 C CA . LEU 201 201 ? B 7.616 -0.096 -12.208 1.000 2 B 91.986 1
ATOM 2250 C C . LEU 201 201 ? B 8.467 -0.048 -10.943 1.000 2 B 91.986 1
ATOM 2251 O O . LEU 201 201 ? B 9.418 0.732 -10.859 1.000 2 B 91.986 1
ATOM 2252 C CB . LEU 201 201 ? B 6.306 0.664 -11.985 1.000 2 B 91.986 1
ATOM 2253 C CG . LEU 201 201 ? B 6.432 2.158 -11.684 1.000 2 B 91.986 1
ATOM 2254 C CD1 . LEU 201 201 ? B 7.132 2.874 -12.835 1.000 2 B 91.986 1
ATOM 2255 C CD2 . LEU 201 201 ? B 5.059 2.769 -11.424 1.000 2 B 91.986 1
ATOM 2256 N N . TYR 202 202 ? B 8.259 -0.907 -9.997 1.000 2 B 91.832 1
ATOM 2257 C CA . TYR 202 202 ? B 8.912 -0.815 -8.696 1.000 2 B 91.832 1
ATOM 2258 C C . TYR 202 202 ? B 9.950 -1.919 -8.528 1.000 2 B 91.832 1
ATOM 2259 O O . TYR 202 202 ? B 10.727 -1.908 -7.571 1.000 2 B 91.832 1
ATOM 2260 C CB . TYR 202 202 ? B 7.878 -0.895 -7.569 1.000 2 B 91.832 1
ATOM 2261 C CG . TYR 202 202 ? B 7.113 0.388 -7.355 1.000 2 B 91.832 1
ATOM 2262 C CD1 . TYR 202 202 ? B 7.647 1.421 -6.587 1.000 2 B 91.832 1
ATOM 2263 C CD2 . TYR 202 202 ? B 5.855 0.571 -7.919 1.000 2 B 91.832 1
ATOM 2264 C CE1 . TYR 202 202 ? B 6.945 2.605 -6.386 1.000 2 B 91.832 1
ATOM 2265 C CE2 . TYR 202 202 ? B 5.144 1.750 -7.724 1.000 2 B 91.832 1
ATOM 2266 C CZ . TYR 202 202 ? B 5.696 2.760 -6.958 1.000 2 B 91.832 1
ATOM 2267 O OH . TYR 202 202 ? B 4.996 3.929 -6.762 1.000 2 B 91.832 1
ATOM 2268 N N . GLY 203 203 ? B 9.855 -2.892 -9.318 1.000 2 B 86.426 1
ATOM 2269 C CA . GLY 203 203 ? B 10.817 -3.978 -9.216 1.000 2 B 86.426 1
ATOM 2270 C C . GLY 203 203 ? B 12.243 -3.539 -9.488 1.000 2 B 86.426 1
ATOM 2271 O O . GLY 203 203 ? B 12.473 -2.444 -10.006 1.000 2 B 86.426 1
ATOM 2272 N N . PRO 204 204 ? B 13.198 -4.083 -8.759 1.000 2 B 75.146 1
ATOM 2273 C CA . PRO 204 204 ? B 14.597 -3.749 -9.036 1.000 2 B 75.146 1
ATOM 2274 C C . PRO 204 204 ? B 14.926 -3.776 -10.527 1.000 2 B 75.146 1
ATOM 2275 O O . PRO 204 204 ? B 14.371 -4.589 -11.271 1.000 2 B 75.146 1
ATOM 2276 C CB . PRO 204 204 ? B 15.374 -4.835 -8.286 1.000 2 B 75.146 1
ATOM 2277 C CG . PRO 204 204 ? B 14.323 -5.701 -7.671 1.000 2 B 75.146 1
ATOM 2278 C CD . PRO 204 204 ? B 12.975 -5.188 -8.092 1.000 2 B 75.146 1
ATOM 2279 N N . SER 205 205 ? B 15.049 -2.532 -11.095 1.000 2 B 60.419 1
ATOM 2280 C CA . SER 205 205 ? B 15.557 -2.423 -12.458 1.000 2 B 60.419 1
ATOM 2281 C C . SER 205 205 ? B 16.671 -3.431 -12.717 1.000 2 B 60.419 1
ATOM 2282 O O . SER 205 205 ? B 17.197 -3.512 -13.829 1.000 2 B 60.419 1
ATOM 2283 C CB . SER 205 205 ? B 16.067 -1.006 -12.728 1.000 2 B 60.419 1
ATOM 2284 O OG . SER 205 205 ? B 15.083 -0.044 -12.391 1.000 2 B 60.419 1
ATOM 2285 N N . MET 206 206 ? B 16.972 -4.218 -11.611 1.000 2 B 48.093 1
ATOM 2286 C CA . MET 206 206 ? B 18.139 -5.004 -12.002 1.000 2 B 48.093 1
ATOM 2287 C C . MET 206 206 ? B 17.766 -6.047 -13.050 1.000 2 B 48.093 1
ATOM 2288 O O . MET 206 206 ? B 16.811 -6.805 -12.866 1.000 2 B 48.093 1
ATOM 2289 C CB . MET 206 206 ? B 18.761 -5.687 -10.783 1.000 2 B 48.093 1
ATOM 2290 C CG . MET 206 206 ? B 19.646 -4.771 -9.953 1.000 2 B 48.093 1
ATOM 2291 S SD . MET 206 206 ? B 21.356 -5.414 -9.779 1.000 2 B 48.093 1
ATOM 2292 C CE . MET 206 206 ? B 21.970 -4.334 -8.457 1.000 2 B 48.093 1
ATOM 2293 N N . ARG 207 207 ? B 17.335 -5.652 -14.182 1.000 2 B 49.100 1
ATOM 2294 C CA . ARG 207 207 ? B 17.755 -6.679 -15.130 1.000 2 B 49.100 1
ATOM 2295 C C . ARG 207 207 ? B 18.644 -7.718 -14.455 1.000 2 B 49.100 1
ATOM 2296 O O . ARG 207 207 ? B 19.551 -7.367 -13.697 1.000 2 B 49.100 1
ATOM 2297 C CB . ARG 207 207 ? B 18.491 -6.049 -16.315 1.000 2 B 49.100 1
ATOM 2298 C CG . ARG 207 207 ? B 17.580 -5.317 -17.287 1.000 2 B 49.100 1
ATOM 2299 C CD . ARG 207 207 ? B 18.358 -4.730 -18.456 1.000 2 B 49.100 1
ATOM 2300 N NE . ARG 207 207 ? B 17.467 -4.205 -19.488 1.000 2 B 49.100 1
ATOM 2301 C CZ . ARG 207 207 ? B 17.862 -3.490 -20.537 1.000 2 B 49.100 1
ATOM 2302 N NH1 . ARG 207 207 ? B 19.145 -3.198 -20.716 1.000 2 B 49.100 1
ATOM 2303 N NH2 . ARG 207 207 ? B 16.966 -3.062 -21.415 1.000 2 B 49.100 1
ATOM 2304 N N . PRO 208 208 ? B 18.167 -8.691 -13.736 1.000 2 B 44.537 1
ATOM 2305 C CA . PRO 208 208 ? B 19.137 -9.578 -13.087 1.000 2 B 44.537 1
ATOM 2306 C C . PRO 208 208 ? B 20.509 -9.540 -13.755 1.000 2 B 44.537 1
ATOM 2307 O O . PRO 208 208 ? B 20.668 -10.029 -14.877 1.000 2 B 44.537 1
ATOM 2308 C CB . PRO 208 208 ? B 18.498 -10.962 -13.229 1.000 2 B 44.537 1
ATOM 2309 C CG . PRO 208 208 ? B 17.476 -10.802 -14.308 1.000 2 B 44.537 1
ATOM 2310 C CD . PRO 208 208 ? B 17.477 -9.370 -14.758 1.000 2 B 44.537 1
ATOM 2311 N N . LEU 209 209 ? B 21.165 -8.453 -14.045 1.000 2 B 46.923 1
ATOM 2312 C CA . LEU 209 209 ? B 22.540 -8.804 -14.380 1.000 2 B 46.923 1
ATOM 2313 C C . LEU 209 209 ? B 23.154 -9.690 -13.301 1.000 2 B 46.923 1
ATOM 2314 O O . LEU 209 209 ? B 24.056 -10.482 -13.580 1.000 2 B 46.923 1
ATOM 2315 C CB . LEU 209 209 ? B 23.387 -7.541 -14.562 1.000 2 B 46.923 1
ATOM 2316 C CG . LEU 209 209 ? B 23.057 -6.673 -15.777 1.000 2 B 46.923 1
ATOM 2317 C CD1 . LEU 209 209 ? B 23.811 -5.350 -15.704 1.000 2 B 46.923 1
ATOM 2318 C CD2 . LEU 209 209 ? B 23.388 -7.413 -17.069 1.000 2 B 46.923 1
ATOM 2319 N N . PHE 210 210 ? B 22.317 -10.010 -12.288 1.000 2 B 43.799 1
ATOM 2320 C CA . PHE 210 210 ? B 23.017 -10.981 -11.455 1.000 2 B 43.799 1
ATOM 2321 C C . PHE 210 210 ? B 22.031 -11.930 -10.785 1.000 2 B 43.799 1
ATOM 2322 O O . PHE 210 210 ? B 21.416 -11.583 -9.774 1.000 2 B 43.799 1
ATOM 2323 C CB . PHE 210 210 ? B 23.865 -10.270 -10.395 1.000 2 B 43.799 1
ATOM 2324 C CG . PHE 210 210 ? B 25.100 -9.611 -10.948 1.000 2 B 43.799 1
ATOM 2325 C CD1 . PHE 210 210 ? B 26.224 -10.364 -11.264 1.000 2 B 43.799 1
ATOM 2326 C CD2 . PHE 210 210 ? B 25.136 -8.237 -11.151 1.000 2 B 43.799 1
ATOM 2327 C CE1 . PHE 210 210 ? B 27.368 -9.756 -11.775 1.000 2 B 43.799 1
ATOM 2328 C CE2 . PHE 210 210 ? B 26.276 -7.623 -11.662 1.000 2 B 43.799 1
ATOM 2329 C CZ . PHE 210 210 ? B 27.392 -8.384 -11.972 1.000 2 B 43.799 1
ATOM 2330 N N . ASP 211 211 ? B 20.827 -12.417 -11.445 1.000 2 B 44.570 1
ATOM 2331 C CA . ASP 211 211 ? B 20.410 -13.720 -10.936 1.000 2 B 44.570 1
ATOM 2332 C C . ASP 211 211 ? B 21.611 -14.530 -10.452 1.000 2 B 44.570 1
ATOM 2333 O O . ASP 211 211 ? B 22.369 -15.070 -11.261 1.000 2 B 44.570 1
ATOM 2334 C CB . ASP 211 211 ? B 19.649 -14.498 -12.012 1.000 2 B 44.570 1
ATOM 2335 C CG . ASP 211 211 ? B 18.180 -14.121 -12.088 1.000 2 B 44.570 1
ATOM 2336 O OD1 . ASP 211 211 ? B 17.628 -13.612 -11.089 1.000 2 B 44.570 1
ATOM 2337 O OD2 . ASP 211 211 ? B 17.568 -14.339 -13.157 1.000 2 B 44.570 1
ATOM 2338 N N . PHE 212 212 ? B 22.547 -14.131 -9.622 1.000 2 B 47.089 1
ATOM 2339 C CA . PHE 212 212 ? B 23.504 -14.984 -8.927 1.000 2 B 47.089 1
ATOM 2340 C C . PHE 212 212 ? B 22.785 -16.003 -8.051 1.000 2 B 47.089 1
ATOM 2341 O O . PHE 212 212 ? B 23.417 -16.895 -7.481 1.000 2 B 47.089 1
ATOM 2342 C CB . PHE 212 212 ? B 24.458 -14.141 -8.076 1.000 2 B 47.089 1
ATOM 2343 C CG . PHE 212 212 ? B 25.500 -13.407 -8.878 1.000 2 B 47.089 1
ATOM 2344 C CD1 . PHE 212 212 ? B 26.605 -14.078 -9.387 1.000 2 B 47.089 1
ATOM 2345 C CD2 . PHE 212 212 ? B 25.373 -12.046 -9.122 1.000 2 B 47.089 1
ATOM 2346 C CE1 . PHE 212 212 ? B 27.570 -13.401 -10.129 1.000 2 B 47.089 1
ATOM 2347 C CE2 . PHE 212 212 ? B 26.333 -11.363 -9.863 1.000 2 B 47.089 1
ATOM 2348 C CZ . PHE 212 212 ? B 27.431 -12.043 -10.365 1.000 2 B 47.089 1
ATOM 2349 N N . SER 213 213 ? B 21.428 -15.945 -7.966 1.000 2 B 51.960 1
ATOM 2350 C CA . SER 213 213 ? B 20.928 -17.165 -7.340 1.000 2 B 51.960 1
ATOM 2351 C C . SER 213 213 ? B 20.906 -18.325 -8.329 1.000 2 B 51.960 1
ATOM 2352 O O . SER 213 213 ? B 20.891 -19.491 -7.927 1.000 2 B 51.960 1
ATOM 2353 C CB . SER 213 213 ? B 19.526 -16.941 -6.773 1.000 2 B 51.960 1
ATOM 2354 O OG . SER 213 213 ? B 19.536 -15.915 -5.795 1.000 2 B 51.960 1
ATOM 2355 N N . TRP 214 214 ? B 21.318 -18.198 -9.696 1.000 2 B 45.593 1
ATOM 2356 C CA . TRP 214 214 ? B 21.492 -19.211 -10.731 1.000 2 B 45.593 1
ATOM 2357 C C . TRP 214 214 ? B 22.964 -19.575 -10.896 1.000 2 B 45.593 1
ATOM 2358 O O . TRP 214 214 ? B 23.292 -20.636 -11.430 1.000 2 B 45.593 1
ATOM 2359 C CB . TRP 214 214 ? B 20.923 -18.721 -12.066 1.000 2 B 45.593 1
ATOM 2360 C CG . TRP 214 214 ? B 20.866 -19.776 -13.129 1.000 2 B 45.593 1
ATOM 2361 C CD1 . TRP 214 214 ? B 21.765 -19.976 -14.140 1.000 2 B 45.593 1
ATOM 2362 C CD2 . TRP 214 214 ? B 19.854 -20.775 -13.288 1.000 2 B 45.593 1
ATOM 2363 N NE1 . TRP 214 214 ? B 21.372 -21.040 -14.918 1.000 2 B 45.593 1
ATOM 2364 C CE2 . TRP 214 214 ? B 20.203 -21.548 -14.417 1.000 2 B 45.593 1
ATOM 2365 C CE3 . TRP 214 214 ? B 18.684 -21.092 -12.584 1.000 2 B 45.593 1
ATOM 2366 C CZ2 . TRP 214 214 ? B 19.423 -22.619 -14.859 1.000 2 B 45.593 1
ATOM 2367 C CZ3 . TRP 214 214 ? B 17.909 -22.158 -13.025 1.000 2 B 45.593 1
ATOM 2368 C CH2 . TRP 214 214 ? B 18.284 -22.908 -14.153 1.000 2 B 45.593 1
ATOM 2369 N N . LEU 215 215 ? B 23.953 -18.871 -10.452 1.000 2 B 51.287 1
ATOM 2370 C CA . LEU 215 215 ? B 25.218 -19.595 -10.370 1.000 2 B 51.287 1
ATOM 2371 C C . LEU 215 215 ? B 25.250 -20.494 -9.139 1.000 2 B 51.287 1
ATOM 2372 O O . LEU 215 215 ? B 25.268 -20.005 -8.007 1.000 2 B 51.287 1
ATOM 2373 C CB . LEU 215 215 ? B 26.394 -18.616 -10.332 1.000 2 B 51.287 1
ATOM 2374 C CG . LEU 215 215 ? B 26.916 -18.131 -11.686 1.000 2 B 51.287 1
ATOM 2375 C CD1 . LEU 215 215 ? B 27.333 -16.667 -11.599 1.000 2 B 51.287 1
ATOM 2376 C CD2 . LEU 215 215 ? B 28.080 -18.997 -12.153 1.000 2 B 51.287 1
ATOM 2377 N N . SER 216 216 ? B 24.243 -21.350 -8.862 1.000 2 B 51.111 1
ATOM 2378 C CA . SER 216 216 ? B 24.241 -22.543 -8.022 1.000 2 B 51.111 1
ATOM 2379 C C . SER 216 216 ? B 25.494 -22.611 -7.156 1.000 2 B 51.111 1
ATOM 2380 O O . SER 216 216 ? B 26.607 -22.411 -7.648 1.000 2 B 51.111 1
ATOM 2381 C CB . SER 216 216 ? B 24.135 -23.804 -8.880 1.000 2 B 51.111 1
ATOM 2382 O OG . SER 216 216 ? B 24.363 -24.965 -8.100 1.000 2 B 51.111 1
ATOM 2383 N N . LEU 217 217 ? B 25.624 -21.763 -6.225 1.000 2 B 67.169 1
ATOM 2384 C CA . LEU 217 217 ? B 26.636 -22.210 -5.273 1.000 2 B 67.169 1
ATOM 2385 C C . LEU 217 217 ? B 27.463 -23.352 -5.855 1.000 2 B 67.169 1
ATOM 2386 O O . LEU 217 217 ? B 28.684 -23.388 -5.687 1.000 2 B 67.169 1
ATOM 2387 C CB . LEU 217 217 ? B 25.979 -22.656 -3.963 1.000 2 B 67.169 1
ATOM 2388 C CG . LEU 217 217 ? B 26.921 -22.905 -2.784 1.000 2 B 67.169 1
ATOM 2389 C CD1 . LEU 217 217 ? B 27.468 -21.584 -2.254 1.000 2 B 67.169 1
ATOM 2390 C CD2 . LEU 217 217 ? B 26.203 -23.674 -1.680 1.000 2 B 67.169 1
ATOM 2391 N N . LYS 218 218 ? B 26.853 -24.199 -6.745 1.000 2 B 68.379 1
ATOM 2392 C CA . LYS 218 218 ? B 27.577 -25.311 -7.354 1.000 2 B 68.379 1
ATOM 2393 C C . LYS 218 218 ? B 28.569 -24.814 -8.401 1.000 2 B 68.379 1
ATOM 2394 O O . LYS 218 218 ? B 29.694 -25.311 -8.483 1.000 2 B 68.379 1
ATOM 2395 C CB . LYS 218 218 ? B 26.601 -26.305 -7.986 1.000 2 B 68.379 1
ATOM 2396 C CG . LYS 218 218 ? B 26.058 -27.343 -7.014 1.000 2 B 68.379 1
ATOM 2397 C CD . LYS 218 218 ? B 25.102 -28.308 -7.704 1.000 2 B 68.379 1
ATOM 2398 C CE . LYS 218 218 ? B 24.722 -29.467 -6.792 1.000 2 B 68.379 1
ATOM 2399 N NZ . LYS 218 218 ? B 23.322 -29.925 -7.034 1.000 2 B 68.379 1
ATOM 2400 N N . THR 219 219 ? B 28.117 -23.787 -9.105 1.000 2 B 72.250 1
ATOM 2401 C CA . THR 219 219 ? B 28.989 -23.266 -10.153 1.000 2 B 72.250 1
ATOM 2402 C C . THR 219 219 ? B 30.168 -22.510 -9.548 1.000 2 B 72.250 1
ATOM 2403 O O . THR 219 219 ? B 31.299 -22.630 -10.024 1.000 2 B 72.250 1
ATOM 2404 C CB . THR 219 219 ? B 28.218 -22.340 -11.111 1.000 2 B 72.250 1
ATOM 2405 O OG1 . THR 219 219 ? B 26.840 -22.295 -10.719 1.000 2 B 72.250 1
ATOM 2406 C CG2 . THR 219 219 ? B 28.308 -22.839 -12.550 1.000 2 B 72.250 1
ATOM 2407 N N . LEU 220 220 ? B 29.831 -21.684 -8.518 1.000 2 B 73.397 1
ATOM 2408 C CA . LEU 220 220 ? B 30.916 -20.991 -7.831 1.000 2 B 73.397 1
ATOM 2409 C C . LEU 220 220 ? B 31.898 -21.986 -7.223 1.000 2 B 73.397 1
ATOM 2410 O O . LEU 220 220 ? B 33.114 -21.804 -7.323 1.000 2 B 73.397 1
ATOM 2411 C CB . LEU 220 220 ? B 30.359 -20.073 -6.739 1.000 2 B 73.397 1
ATOM 2412 C CG . LEU 220 220 ? B 30.180 -18.602 -7.116 1.000 2 B 73.397 1
ATOM 2413 C CD1 . LEU 220 220 ? B 29.032 -17.987 -6.322 1.000 2 B 73.397 1
ATOM 2414 C CD2 . LEU 220 220 ? B 31.473 -17.828 -6.882 1.000 2 B 73.397 1
ATOM 2415 N N . LEU 221 221 ? B 31.301 -23.072 -6.653 1.000 2 B 77.085 1
ATOM 2416 C CA . LEU 221 221 ? B 32.164 -24.104 -6.087 1.000 2 B 77.085 1
ATOM 2417 C C . LEU 221 221 ? B 32.919 -24.843 -7.185 1.000 2 B 77.085 1
ATOM 2418 O O . LEU 221 221 ? B 34.102 -25.156 -7.029 1.000 2 B 77.085 1
ATOM 2419 C CB . LEU 221 221 ? B 31.342 -25.096 -5.259 1.000 2 B 77.085 1
ATOM 2420 C CG . LEU 221 221 ? B 31.510 -25.015 -3.741 1.000 2 B 77.085 1
ATOM 2421 C CD1 . LEU 221 221 ? B 30.148 -25.022 -3.056 1.000 2 B 77.085 1
ATOM 2422 C CD2 . LEU 221 221 ? B 32.373 -26.167 -3.237 1.000 2 B 77.085 1
ATOM 2423 N N . SER 222 222 ? B 32.284 -25.008 -8.365 1.000 2 B 79.932 1
ATOM 2424 C CA . SER 222 222 ? B 32.957 -25.676 -9.474 1.000 2 B 79.932 1
ATOM 2425 C C . SER 222 222 ? B 34.060 -24.801 -10.060 1.000 2 B 79.932 1
ATOM 2426 O O . SER 222 222 ? B 35.133 -25.297 -10.411 1.000 2 B 79.932 1
ATOM 2427 C CB . SER 222 222 ? B 31.952 -26.044 -10.567 1.000 2 B 79.932 1
ATOM 2428 O OG . SER 222 222 ? B 32.320 -25.461 -11.805 1.000 2 B 79.932 1
ATOM 2429 N N . LEU 223 223 ? B 33.807 -23.591 -10.122 1.000 2 B 80.809 1
ATOM 2430 C CA . LEU 223 223 ? B 34.810 -22.660 -10.626 1.000 2 B 80.809 1
ATOM 2431 C C . LEU 223 223 ? B 35.982 -22.548 -9.657 1.000 2 B 80.809 1
ATOM 2432 O O . LEU 223 223 ? B 37.138 -22.472 -10.080 1.000 2 B 80.809 1
ATOM 2433 C CB . LEU 223 223 ? B 34.192 -21.280 -10.859 1.000 2 B 80.809 1
ATOM 2434 C CG . LEU 223 223 ? B 34.711 -20.500 -12.068 1.000 2 B 80.809 1
ATOM 2435 C CD1 . LEU 223 223 ? B 33.839 -20.771 -13.289 1.000 2 B 80.809 1
ATOM 2436 C CD2 . LEU 223 223 ? B 34.760 -19.007 -11.760 1.000 2 B 80.809 1
ATOM 2437 N N . ALA 224 224 ? B 35.544 -22.434 -8.305 1.000 2 B 83.031 1
ATOM 2438 C CA . ALA 224 224 ? B 36.596 -22.428 -7.292 1.000 2 B 83.031 1
ATOM 2439 C C . ALA 224 224 ? B 37.441 -23.696 -7.372 1.000 2 B 83.031 1
ATOM 2440 O O . ALA 224 224 ? B 38.666 -23.642 -7.239 1.000 2 B 83.031 1
ATOM 2441 C CB . ALA 224 224 ? B 35.992 -22.281 -5.898 1.000 2 B 83.031 1
ATOM 2442 N N . LEU 225 225 ? B 36.874 -24.817 -7.708 1.000 2 B 87.187 1
ATOM 2443 C CA . LEU 225 225 ? B 37.568 -26.092 -7.849 1.000 2 B 87.187 1
ATOM 2444 C C . LEU 225 225 ? B 38.451 -26.096 -9.093 1.000 2 B 87.187 1
ATOM 2445 O O . LEU 225 225 ? B 39.598 -26.544 -9.044 1.000 2 B 87.187 1
ATOM 2446 C CB . LEU 225 225 ? B 36.563 -27.245 -7.919 1.000 2 B 87.187 1
ATOM 2447 C CG . LEU 225 225 ? B 37.140 -28.656 -7.789 1.000 2 B 87.187 1
ATOM 2448 C CD1 . LEU 225 225 ? B 37.161 -29.087 -6.326 1.000 2 B 87.187 1
ATOM 2449 C CD2 . LEU 225 225 ? B 36.336 -29.642 -8.630 1.000 2 B 87.187 1
ATOM 2450 N N . VAL 226 226 ? B 37.968 -25.585 -10.157 1.000 2 B 86.728 1
ATOM 2451 C CA . VAL 226 226 ? B 38.741 -25.525 -11.392 1.000 2 B 86.728 1
ATOM 2452 C C . VAL 226 226 ? B 39.930 -24.584 -11.214 1.000 2 B 86.728 1
ATOM 2453 O O . VAL 226 226 ? B 41.043 -24.890 -11.646 1.000 2 B 86.728 1
ATOM 2454 C CB . VAL 226 226 ? B 37.872 -25.067 -12.585 1.000 2 B 86.728 1
ATOM 2455 C CG1 . VAL 226 226 ? B 38.730 -24.868 -13.833 1.000 2 B 86.728 1
ATOM 2456 C CG2 . VAL 226 226 ? B 36.758 -26.077 -12.852 1.000 2 B 86.728 1
ATOM 2457 N N . GLY 227 227 ? B 39.668 -23.433 -10.542 1.000 2 B 86.345 1
ATOM 2458 C CA . GLY 227 227 ? B 40.751 -22.515 -10.224 1.000 2 B 86.345 1
ATOM 2459 C C . GLY 227 227 ? B 41.814 -23.132 -9.335 1.000 2 B 86.345 1
ATOM 2460 O O . GLY 227 227 ? B 43.010 -22.945 -9.567 1.000 2 B 86.345 1
ATOM 2461 N N . ALA 228 228 ? B 41.370 -23.950 -8.377 1.000 2 B 87.979 1
ATOM 2462 C CA . ALA 228 228 ? B 42.298 -24.633 -7.480 1.000 2 B 87.979 1
ATOM 2463 C C . ALA 228 228 ? B 43.074 -25.720 -8.218 1.000 2 B 87.979 1
ATOM 2464 O O . ALA 228 228 ? B 44.272 -25.902 -7.987 1.000 2 B 87.979 1
ATOM 2465 C CB . ALA 228 228 ? B 41.547 -25.233 -6.293 1.000 2 B 87.979 1
ATOM 2466 N N . CYS 229 229 ? B 42.503 -26.376 -9.165 1.000 2 B 86.328 1
ATOM 2467 C CA . CYS 229 229 ? B 43.155 -27.443 -9.917 1.000 2 B 86.328 1
ATOM 2468 C C . CYS 229 229 ? B 44.209 -26.879 -10.861 1.000 2 B 86.328 1
ATOM 2469 O O . CYS 229 229 ? B 45.283 -27.462 -11.020 1.000 2 B 86.328 1
ATOM 2470 C CB . CYS 229 229 ? B 42.125 -28.247 -10.709 1.000 2 B 86.328 1
ATOM 2471 S SG . CYS 229 229 ? B 41.138 -29.368 -9.693 1.000 2 B 86.328 1
ATOM 2472 N N . ILE 230 230 ? B 43.928 -25.757 -11.444 1.000 2 B 85.761 1
ATOM 2473 C CA . ILE 230 230 ? B 44.878 -25.129 -12.357 1.000 2 B 85.761 1
ATOM 2474 C C . ILE 230 230 ? B 46.102 -24.651 -11.580 1.000 2 B 85.761 1
ATOM 2475 O O . ILE 230 230 ? B 47.238 -24.837 -12.024 1.000 2 B 85.761 1
ATOM 2476 C CB . ILE 230 230 ? B 44.233 -23.949 -13.119 1.000 2 B 85.761 1
ATOM 2477 C CG1 . ILE 230 230 ? B 43.106 -24.453 -14.028 1.000 2 B 85.761 1
ATOM 2478 C CG2 . ILE 230 230 ? B 45.288 -23.187 -13.927 1.000 2 B 85.761 1
ATOM 2479 C CD1 . ILE 230 230 ? B 42.364 -23.346 -14.764 1.000 2 B 85.761 1
ATOM 2480 N N . THR 231 231 ? B 45.839 -24.068 -10.387 1.000 2 B 84.290 1
ATOM 2481 C CA . THR 231 231 ? B 46.936 -23.601 -9.546 1.000 2 B 84.290 1
ATOM 2482 C C . THR 231 231 ? B 47.770 -24.776 -9.042 1.000 2 B 84.290 1
ATOM 2483 O O . THR 231 231 ? B 49.001 -24.711 -9.032 1.000 2 B 84.290 1
ATOM 2484 C CB . THR 231 231 ? B 46.413 -22.788 -8.347 1.000 2 B 84.290 1
ATOM 2485 O OG1 . THR 231 231 ? B 45.310 -21.977 -8.772 1.000 2 B 84.290 1
ATOM 2486 C CG2 . THR 231 231 ? B 47.503 -21.885 -7.778 1.000 2 B 84.290 1
ATOM 2487 N N . LEU 232 232 ? B 47.091 -25.867 -8.777 1.000 2 B 84.242 1
ATOM 2488 C CA . LEU 232 232 ? B 47.818 -27.047 -8.320 1.000 2 B 84.242 1
ATOM 2489 C C . LEU 232 232 ? B 48.550 -27.717 -9.477 1.000 2 B 84.242 1
ATOM 2490 O O . LEU 232 232 ? B 49.668 -28.209 -9.309 1.000 2 B 84.242 1
ATOM 2491 C CB . LEU 232 232 ? B 46.861 -28.043 -7.660 1.000 2 B 84.242 1
ATOM 2492 C CG . LEU 232 232 ? B 47.000 -28.216 -6.147 1.000 2 B 84.242 1
ATOM 2493 C CD1 . LEU 232 232 ? B 45.647 -28.040 -5.466 1.000 2 B 84.242 1
ATOM 2494 C CD2 . LEU 232 232 ? B 47.597 -29.580 -5.816 1.000 2 B 84.242 1
ATOM 2495 N N . GLY 233 233 ? B 48.001 -27.764 -10.686 1.000 2 B 82.206 1
ATOM 2496 C CA . GLY 233 233 ? B 48.660 -28.319 -11.857 1.000 2 B 82.206 1
ATOM 2497 C C . GLY 233 233 ? B 49.893 -27.539 -12.274 1.000 2 B 82.206 1
ATOM 2498 O O . GLY 233 233 ? B 50.905 -28.127 -12.660 1.000 2 B 82.206 1
ATOM 2499 N N . ALA 234 234 ? B 49.787 -26.252 -12.068 1.000 2 B 83.833 1
ATOM 2500 C CA . ALA 234 234 ? B 50.939 -25.414 -12.390 1.000 2 B 83.833 1
ATOM 2501 C C . ALA 234 234 ? B 52.058 -25.602 -11.370 1.000 2 B 83.833 1
ATOM 2502 O O . ALA 234 234 ? B 53.239 -25.597 -11.725 1.000 2 B 83.833 1
ATOM 2503 C CB . ALA 234 234 ? B 50.526 -23.945 -12.457 1.000 2 B 83.833 1
ATOM 2504 N N . TYR 235 235 ? B 51.700 -25.781 -10.145 1.000 2 B 83.180 1
ATOM 2505 C CA . TYR 235 235 ? B 52.690 -25.967 -9.089 1.000 2 B 83.180 1
ATOM 2506 C C . TYR 235 235 ? B 53.363 -27.328 -9.207 1.000 2 B 83.180 1
ATOM 2507 O O . TYR 235 235 ? B 54.578 -27.444 -9.030 1.000 2 B 83.180 1
ATOM 2508 C CB . TYR 235 235 ? B 52.038 -25.824 -7.711 1.000 2 B 83.180 1
ATOM 2509 C CG . TYR 235 235 ? B 53.030 -25.737 -6.576 1.000 2 B 83.180 1
ATOM 2510 C CD1 . TYR 235 235 ? B 53.318 -26.850 -5.790 1.000 2 B 83.180 1
ATOM 2511 C CD2 . TYR 235 235 ? B 53.681 -24.542 -6.288 1.000 2 B 83.180 1
ATOM 2512 C CE1 . TYR 235 235 ? B 54.230 -26.775 -4.743 1.000 2 B 83.180 1
ATOM 2513 C CE2 . TYR 235 235 ? B 54.595 -24.455 -5.243 1.000 2 B 83.180 1
ATOM 2514 C CZ . TYR 235 235 ? B 54.863 -25.575 -4.478 1.000 2 B 83.180 1
ATOM 2515 O OH . TYR 235 235 ? B 55.767 -25.494 -3.442 1.000 2 B 83.180 1
ATOM 2516 N N . LEU 236 236 ? B 52.712 -28.345 -9.691 1.000 2 B 81.990 1
ATOM 2517 C CA . LEU 236 236 ? B 53.302 -29.675 -9.799 1.000 2 B 81.990 1
ATOM 2518 C C . LEU 236 236 ? B 54.093 -29.816 -11.095 1.000 2 B 81.990 1
ATOM 2519 O O . LEU 236 236 ? B 55.063 -30.574 -11.155 1.000 2 B 81.990 1
ATOM 2520 C CB . LEU 236 236 ? B 52.215 -30.751 -9.731 1.000 2 B 81.990 1
ATOM 2521 C CG . LEU 236 236 ? B 51.570 -30.978 -8.363 1.000 2 B 81.990 1
ATOM 2522 C CD1 . LEU 236 236 ? B 50.273 -31.767 -8.513 1.000 2 B 81.990 1
ATOM 2523 C CD2 . LEU 236 236 ? B 52.536 -31.700 -7.430 1.000 2 B 81.990 1
ATOM 2524 N N . GLY 237 237 ? B 53.865 -29.091 -12.142 1.000 2 B 77.656 1
ATOM 2525 C CA . GLY 237 237 ? B 54.645 -29.137 -13.369 1.000 2 B 77.656 1
ATOM 2526 C C . GLY 237 237 ? B 55.956 -28.381 -13.271 1.000 2 B 77.656 1
ATOM 2527 O O . GLY 237 237 ? B 56.915 -28.694 -13.980 1.000 2 B 77.656 1
ATOM 2528 N N . HIS 238 238 ? B 56.088 -27.514 -12.289 1.000 2 B 65.161 1
ATOM 2529 C CA . HIS 238 238 ? B 57.308 -26.748 -12.067 1.000 2 B 65.161 1
ATOM 2530 C C . HIS 238 238 ? B 58.286 -27.514 -11.182 1.000 2 B 65.161 1
ATOM 2531 O O . HIS 238 238 ? B 59.501 -27.328 -11.287 1.000 2 B 65.161 1
ATOM 2532 C CB . HIS 238 238 ? B 56.983 -25.392 -11.438 1.000 2 B 65.161 1
ATOM 2533 C CG . HIS 238 238 ? B 58.051 -24.365 -11.641 1.000 2 B 65.161 1
ATOM 2534 N ND1 . HIS 238 238 ? B 59.122 -24.226 -10.785 1.000 2 B 65.161 1
ATOM 2535 C CD2 . HIS 238 238 ? B 58.212 -23.428 -12.605 1.000 2 B 65.161 1
ATOM 2536 C CE1 . HIS 238 238 ? B 59.898 -23.245 -11.214 1.000 2 B 65.161 1
ATOM 2537 N NE2 . HIS 238 238 ? B 59.368 -22.744 -12.317 1.000 2 B 65.161 1
ATOM 2538 N N . LYS 239 239 ? B 57.919 -28.612 -10.530 1.000 2 B 55.270 1
ATOM 2539 C CA . LYS 239 239 ? B 58.885 -29.437 -9.809 1.000 2 B 55.270 1
ATOM 2540 C C . LYS 239 239 ? B 59.280 -30.662 -10.628 1.000 2 B 55.270 1
ATOM 2541 O O . LYS 239 239 ? B 60.443 -31.071 -10.621 1.000 2 B 55.270 1
ATOM 2542 C CB . LYS 239 239 ? B 58.316 -29.871 -8.458 1.000 2 B 55.270 1
ATOM 2543 C CG . LYS 239 239 ? B 58.687 -28.949 -7.305 1.000 2 B 55.270 1
ATOM 2544 C CD . LYS 239 239 ? B 58.299 -29.551 -5.961 1.000 2 B 55.270 1
ATOM 2545 C CE . LYS 239 239 ? B 58.678 -28.633 -4.806 1.000 2 B 55.270 1
ATOM 2546 N NZ . LYS 239 239 ? B 58.049 -29.068 -3.523 1.000 2 B 55.270 1

loop_
_atom_type.symbol
C
N
O
S

loop_
_ma_entry_associated_files.id
_ma_entry_associated_files.entry_id
_ma_entry_associated_files.file_url
_ma_entry_associated_files.file_type
_ma_entry_associated_files.file_format
_ma_entry_associated_files.file_content
_ma_entry_associated_files.details
1 ma-t3vr3-008 https://modelarchive.org/api/projects/ma-t3vr3-008?type=materials_procedures__accompanying_data_file_name archive zip 'archive with multiple files' .

loop_
_ma_associated_archive_file_details.id
_ma_associated_archive_file_details.archive_file_id
_ma_associated_archive_file_details.file_path
_ma_associated_archive_file_details.file_format
_ma_associated_archive_file_details.file_content
_ma_associated_archive_file_details.description
_ma_associated_archive_file_details.data_id
1 1 ma-t3vr3-008_predicted_aligned_error_v1.cif cif 'local pairwise QA scores' 'Predicted aligned error and contact probability' .
2 1 O00198_P10415.i95.fas fasta 'multiple sequence alignments' 'Paired MSAs' 4

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 . .
3 PAE 'Predicted aligned error (in Angstroms)' PAE local-pairwise . .
4 'contact probability' 'Contact probability of a pairwise interaction in [0,1]' 'contact probability' local-pairwise . .

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 75.675

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 45.411
2 1 A 2 CYS 2 50.665
3 1 A 3 PRO 2 53.608
4 1 A 4 CYS 2 57.673
5 1 A 5 PRO 2 56.588
6 1 A 6 LEU 2 53.515
7 1 A 7 HIS 2 48.122
8 1 A 8 ARG 2 52.605
9 1 A 9 GLY 2 53.524
10 1 A 10 ARG 2 52.884
11 1 A 11 GLY 2 54.813
12 1 A 12 PRO 2 50.704
13 1 A 13 PRO 2 50.719
14 1 A 14 ALA 2 50.479
15 1 A 15 VAL 2 53.086
16 1 A 16 CYS 2 53.332
17 1 A 17 ALA 2 51.312
18 1 A 18 CYS 2 51.667
19 1 A 19 SER 2 47.362
20 1 A 20 ALA 2 47.076
21 1 A 21 GLY 2 44.088
22 1 A 22 ARG 2 42.611
23 1 A 23 LEU 2 41.536
24 1 A 24 GLY 2 46.494
25 1 A 25 LEU 2 46.102
26 1 A 26 ARG 2 47.118
27 1 A 27 SER 2 53.951
28 1 A 28 SER 2 71.588
29 1 A 29 ALA 2 81.206
30 1 A 30 ALA 2 85.105
31 1 A 31 GLN 2 87.051
32 1 A 32 LEU 2 88.701
33 1 A 33 THR 2 89.234
34 1 A 34 ALA 2 91.901
35 1 A 35 ALA 2 91.943
36 1 A 36 ARG 2 91.847
37 1 A 37 LEU 2 94.009
38 1 A 38 LYS 2 94.790
39 1 A 39 ALA 2 94.992
40 1 A 40 LEU 2 94.205
41 1 A 41 GLY 2 95.777
42 1 A 42 ASP 2 96.595
43 1 A 43 GLU 2 95.408
44 1 A 44 LEU 2 93.673
45 1 A 45 HIS 2 94.950
46 1 A 46 GLN 2 95.328
47 1 A 47 ARG 2 92.655
48 1 A 48 THR 2 92.103
49 1 A 49 MET 2 92.134
50 1 A 50 TRP 2 91.989
51 1 A 51 ARG 2 89.161
52 1 A 52 ARG 2 87.058
53 1 A 53 ARG 2 89.068
54 1 A 54 ALA 2 88.356
55 1 A 55 ARG 2 82.080
56 1 A 56 SER 2 80.842
57 1 A 57 ARG 2 81.301
58 1 A 58 ARG 2 73.307
59 1 A 59 ALA 2 62.187
60 1 A 60 PRO 2 59.919
61 1 A 61 ALA 2 58.339
62 1 A 62 PRO 2 54.215
63 1 A 63 GLY 2 53.335
64 1 A 64 ALA 2 53.075
65 1 A 65 LEU 2 57.527
66 1 A 66 PRO 2 57.716
67 1 A 67 THR 2 62.255
68 1 A 68 TYR 2 66.537
69 1 A 69 TRP 2 74.646
70 1 A 70 PRO 2 76.512
71 1 A 71 TRP 2 81.142
72 1 A 72 LEU 2 81.979
73 1 A 73 CYS 2 85.618
74 1 A 74 ALA 2 84.356
75 1 A 75 ALA 2 85.321
76 1 A 76 ALA 2 88.869
77 1 A 77 GLN 2 90.370
78 1 A 78 VAL 2 90.296
79 1 A 79 ALA 2 88.662
80 1 A 80 ALA 2 89.137
81 1 A 81 LEU 2 90.587
82 1 A 82 ALA 2 86.531
83 1 A 83 ALA 2 86.850
84 1 A 84 TRP 2 90.217
85 1 A 85 LEU 2 87.099
86 1 A 86 LEU 2 85.976
87 1 A 87 GLY 2 85.592
88 1 A 88 ARG 2 81.219
89 1 A 89 ARG 2 73.086
90 1 A 90 ASN 2 65.948
91 1 A 91 LEU 2 52.603
92 1 B 1 MET 2 37.138
93 1 B 2 ALA 2 45.966
94 1 B 3 HIS 2 44.133
95 1 B 4 ALA 2 48.156
96 1 B 5 GLY 2 46.136
97 1 B 6 ARG 2 50.587
98 1 B 7 THR 2 56.886
99 1 B 8 GLY 2 69.784
100 1 B 9 TYR 2 82.168
101 1 B 10 ASP 2 90.617
102 1 B 11 ASN 2 93.531
103 1 B 12 ARG 2 94.917
104 1 B 13 GLU 2 93.311
105 1 B 14 ILE 2 94.988
106 1 B 15 VAL 2 96.805
107 1 B 16 MET 2 95.671
108 1 B 17 LYS 2 95.065
109 1 B 18 TYR 2 96.669
110 1 B 19 ILE 2 96.966
111 1 B 20 HIS 2 96.125
112 1 B 21 TYR 2 96.024
113 1 B 22 LYS 2 96.318
114 1 B 23 LEU 2 96.732
115 1 B 24 SER 2 96.455
116 1 B 25 GLN 2 95.401
117 1 B 26 ARG 2 95.214
118 1 B 27 GLY 2 96.299
119 1 B 28 TYR 2 95.665
120 1 B 29 GLU 2 91.865
121 1 B 30 TRP 2 89.972
122 1 B 31 ASP 2 83.855
123 1 B 32 ALA 2 71.579
124 1 B 33 GLY 2 66.663
125 1 B 34 ASP 2 54.858
126 1 B 35 VAL 2 55.634
127 1 B 36 GLY 2 52.514
128 1 B 37 ALA 2 45.439
129 1 B 38 ALA 2 48.487
130 1 B 39 PRO 2 45.829
131 1 B 40 PRO 2 45.659
132 1 B 41 GLY 2 45.203
133 1 B 42 ALA 2 45.101
134 1 B 43 ALA 2 40.538
135 1 B 44 PRO 2 48.237
136 1 B 45 ALA 2 52.793
137 1 B 46 PRO 2 53.827
138 1 B 47 GLY 2 58.893
139 1 B 48 ILE 2 62.263
140 1 B 49 PHE 2 61.924
141 1 B 50 SER 2 61.524
142 1 B 51 SER 2 47.107
143 1 B 52 GLN 2 40.671
144 1 B 53 PRO 2 37.680
145 1 B 54 GLY 2 31.135
146 1 B 55 HIS 2 30.645
147 1 B 56 THR 2 34.633
148 1 B 57 PRO 2 41.907
149 1 B 58 HIS 2 35.499
150 1 B 59 PRO 2 39.434
151 1 B 60 ALA 2 33.533
152 1 B 61 ALA 2 40.414
153 1 B 62 SER 2 35.805
154 1 B 63 ARG 2 41.427
155 1 B 64 ASP 2 42.504
156 1 B 65 PRO 2 46.361
157 1 B 66 VAL 2 43.575
158 1 B 67 ALA 2 35.288
159 1 B 68 ARG 2 42.480
160 1 B 69 THR 2 38.401
161 1 B 70 SER 2 32.751
162 1 B 71 PRO 2 39.728
163 1 B 72 LEU 2 37.718
164 1 B 73 GLN 2 42.337
165 1 B 74 THR 2 37.856
166 1 B 75 PRO 2 48.256
167 1 B 76 ALA 2 39.043
168 1 B 77 ALA 2 40.394
169 1 B 78 PRO 2 48.452
170 1 B 79 GLY 2 42.200
171 1 B 80 ALA 2 44.992
172 1 B 81 ALA 2 43.947
173 1 B 82 ALA 2 47.442
174 1 B 83 GLY 2 50.342
175 1 B 84 PRO 2 53.070
176 1 B 85 ALA 2 56.198
177 1 B 86 LEU 2 56.880
178 1 B 87 SER 2 62.251
179 1 B 88 PRO 2 67.954
180 1 B 89 VAL 2 62.944
181 1 B 90 PRO 2 78.792
182 1 B 91 PRO 2 85.393
183 1 B 92 VAL 2 89.507
184 1 B 93 VAL 2 92.378
185 1 B 94 HIS 2 92.883
186 1 B 95 LEU 2 93.185
187 1 B 96 THR 2 94.692
188 1 B 97 LEU 2 96.149
189 1 B 98 ARG 2 95.345
190 1 B 99 GLN 2 94.780
191 1 B 100 ALA 2 95.438
192 1 B 101 GLY 2 96.069
193 1 B 102 ASP 2 95.297
194 1 B 103 ASP 2 94.001
195 1 B 104 PHE 2 94.245
196 1 B 105 SER 2 93.755
197 1 B 106 ARG 2 93.685
198 1 B 107 ARG 2 90.542
199 1 B 108 TYR 2 88.703
200 1 B 109 ARG 2 89.211
201 1 B 110 ARG 2 90.208
202 1 B 111 ASP 2 88.791
203 1 B 112 PHE 2 85.109
204 1 B 113 ALA 2 86.432
205 1 B 114 GLU 2 87.520
206 1 B 115 MET 2 82.931
207 1 B 116 SER 2 81.439
208 1 B 117 SER 2 85.022
209 1 B 118 GLN 2 82.866
210 1 B 119 LEU 2 81.987
211 1 B 120 HIS 2 82.498
212 1 B 121 LEU 2 85.577
213 1 B 122 THR 2 87.560
214 1 B 123 PRO 2 87.033
215 1 B 124 PHE 2 88.964
216 1 B 125 THR 2 89.593
217 1 B 126 ALA 2 91.407
218 1 B 127 ARG 2 92.160
219 1 B 128 GLY 2 91.705
220 1 B 129 ARG 2 91.329
221 1 B 130 PHE 2 93.505
222 1 B 131 ALA 2 94.123
223 1 B 132 THR 2 93.113
224 1 B 133 VAL 2 94.104
225 1 B 134 VAL 2 95.452
226 1 B 135 GLU 2 95.595
227 1 B 136 GLU 2 94.675
228 1 B 137 LEU 2 95.768
229 1 B 138 PHE 2 97.294
230 1 B 139 ARG 2 95.542
231 1 B 140 ASP 2 95.279
232 1 B 141 GLY 2 96.339
233 1 B 142 VAL 2 97.869
234 1 B 143 ASN 2 97.256
235 1 B 144 TRP 2 97.225
236 1 B 145 GLY 2 97.226
237 1 B 146 ARG 2 97.922
238 1 B 147 ILE 2 97.985
239 1 B 148 VAL 2 97.655
240 1 B 149 ALA 2 97.062
241 1 B 150 PHE 2 97.780
242 1 B 151 PHE 2 97.975
243 1 B 152 GLU 2 97.031
244 1 B 153 PHE 2 95.787
245 1 B 154 GLY 2 96.219
246 1 B 155 GLY 2 95.960
247 1 B 156 VAL 2 94.072
248 1 B 157 MET 2 93.829
249 1 B 158 CYS 2 95.536
250 1 B 159 VAL 2 94.925
251 1 B 160 GLU 2 93.516
252 1 B 161 SER 2 93.928
253 1 B 162 VAL 2 94.714
254 1 B 163 ASN 2 93.949
255 1 B 164 ARG 2 93.353
256 1 B 165 GLU 2 92.646
257 1 B 166 MET 2 93.447
258 1 B 167 SER 2 91.868
259 1 B 168 PRO 2 91.726
260 1 B 169 LEU 2 93.234
261 1 B 170 VAL 2 95.646
262 1 B 171 ASP 2 94.944
263 1 B 172 ASN 2 94.871
264 1 B 173 ILE 2 95.528
265 1 B 174 ALA 2 96.475
266 1 B 175 LEU 2 96.093
267 1 B 176 TRP 2 96.608
268 1 B 177 MET 2 97.785
269 1 B 178 THR 2 96.853
270 1 B 179 GLU 2 96.454
271 1 B 180 TYR 2 96.917
272 1 B 181 LEU 2 96.479
273 1 B 182 ASN 2 95.529
274 1 B 183 ARG 2 94.832
275 1 B 184 HIS 2 95.186
276 1 B 185 LEU 2 96.453
277 1 B 186 HIS 2 94.846
278 1 B 187 THR 2 94.462
279 1 B 188 TRP 2 95.828
280 1 B 189 ILE 2 95.111
281 1 B 190 GLN 2 93.771
282 1 B 191 ASP 2 94.951
283 1 B 192 ASN 2 94.385
284 1 B 193 GLY 2 92.462
285 1 B 194 GLY 2 92.990
286 1 B 195 TRP 2 93.646
287 1 B 196 ASP 2 91.956
288 1 B 197 ALA 2 92.595
289 1 B 198 PHE 2 94.478
290 1 B 199 VAL 2 93.100
291 1 B 200 GLU 2 91.959
292 1 B 201 LEU 2 91.986
293 1 B 202 TYR 2 91.832
294 1 B 203 GLY 2 86.426
295 1 B 204 PRO 2 75.146
296 1 B 205 SER 2 60.419
297 1 B 206 MET 2 48.093
298 1 B 207 ARG 2 49.100
299 1 B 208 PRO 2 44.537
300 1 B 209 LEU 2 46.923
301 1 B 210 PHE 2 43.799
302 1 B 211 ASP 2 44.570
303 1 B 212 PHE 2 47.089
304 1 B 213 SER 2 51.960
305 1 B 214 TRP 2 45.593
306 1 B 215 LEU 2 51.287
307 1 B 216 SER 2 51.111
308 1 B 217 LEU 2 67.169
309 1 B 218 LYS 2 68.379
310 1 B 219 THR 2 72.250
311 1 B 220 LEU 2 73.397
312 1 B 221 LEU 2 77.085
313 1 B 222 SER 2 79.932
314 1 B 223 LEU 2 80.809
315 1 B 224 ALA 2 83.031
316 1 B 225 LEU 2 87.187
317 1 B 226 VAL 2 86.728
318 1 B 227 GLY 2 86.345
319 1 B 228 ALA 2 87.979
320 1 B 229 CYS 2 86.328
321 1 B 230 ILE 2 85.761
322 1 B 231 THR 2 84.290
323 1 B 232 LEU 2 84.242
324 1 B 233 GLY 2 82.206
325 1 B 234 ALA 2 83.833
326 1 B 235 TYR 2 83.180
327 1 B 236 LEU 2 81.990
328 1 B 237 GLY 2 77.656
329 1 B 238 HIS 2 65.161
330 1 B 239 LYS 2 55.270

_database_2.database_id ModelArchive
_database_2.database_code ma-t3vr3-008
_database_2.pdbx_DOI 10.5452/ma-t3vr3-008

_pdbx_database_status.entry_id ma-t3vr3-008
_pdbx_database_status.date_coordinates 2022-09-28:22:27
_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
5 Prof. Qian Cong . Qian.Cong@UTSouthwestern.edu 'University of Texas Southwestern Medical Center' . .

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 2022-12-21
2 'Structure model' 1 1 2023-07-19
3 'Structure model' 1 2 2023-07-25

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 'Format compliance 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' Other
2 3 'Structure model' Other
3 3 'Structure model' 'Version format compliance'

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' exptl
2 3 'Structure model' ma_data
3 3 'Structure model' ma_associated_archive_file_details
4 3 'Structure model' audit_conform

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' '_exptl.entry_id'
2 2 'Structure model' '_exptl.method'
3 3 'Structure model' '_ma_data.content_type'
4 3 'Structure model' '_ma_data.content_type_other_details'
5 3 'Structure model' '_ma_associated_archive_file_details.data_id'
6 3 'Structure model' '_audit_conform.dict_location'
7 3 'Structure model' '_audit_conform.dict_version'