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	<ModelledSubgroup num-H-reduce="14" mogul_rmsz_numbonds="18" mogul_rmsz_numangles="21" mogul_angles_rmsz="0.63" mogul_bonds_rmsz="0.71" model="1" chain="A" resnum="1183" said="C" ent="3" seq="." icode=" " resname="GSH" altcode="A">
		<mog-torsion-outlier atoms="O11,C1,CA1,N1" numobs="781" mean="87.87" stdev="20.65" mindiff="1.41" local_density="0.38" obsval="-71.33"/>
		<mog-torsion-outlier atoms="O12,C1,CA1,N1" numobs="61" mean="77.95" stdev="24.50" mindiff="16.14" local_density="0.00" obsval="108.15"/>
		<mog-torsion-outlier atoms="O2,C2,CA2,N2" numobs="4035" mean="106.03" stdev="53.52" mindiff="0.08" local_density="1.66" obsval="2.86"/>
		<mog-torsion-outlier atoms="N3,C2,CA2,N2" numobs="3922" mean="105.29" stdev="53.22" mindiff="0.03" local_density="2.22" obsval="-176.21"/>
		<mog-torsion-outlier atoms="N2,CA2,CB2,SG2" numobs="124" mean="22.85" stdev="18.13" mindiff="2.10" local_density="2.42" obsval="-44.40"/>
	</ModelledSubgroup>
	<ModelledSubgroup num-H-reduce="14" mogul_rmsz_numbonds="18" mogul_rmsz_numangles="21" mogul_angles_rmsz="0.70" mogul_bonds_rmsz="0.70" model="1" chain="A" resnum="1183" said="C" ent="3" seq="." icode=" " resname="GSH" altcode="B">
		<clash atom="SG2" dist="2.33" clashmag="0.69" cid="5"/>
		<mog-torsion-outlier atoms="O11,C1,CA1,N1" numobs="781" mean="52.40" stdev="25.85" mindiff="0.54" local_density="1.02" obsval="124.91"/>
		<mog-torsion-outlier atoms="O12,C1,CA1,N1" numobs="61" mean="54.69" stdev="30.51" mindiff="8.45" local_density="1.64" obsval="-54.84"/>
		<mog-torsion-outlier atoms="CA1,CB1,CG1,CD1" numobs="410" mean="63.70" stdev="34.34" mindiff="0.90" local_density="2.44" obsval="153.57"/>
		<mog-torsion-outlier atoms="OE1,CD1,CG1,CB1" numobs="2579" mean="121.80" stdev="32.07" mindiff="0.13" local_density="0.54" obsval="-166.84"/>
		<mog-torsion-outlier atoms="N2,CD1,CG1,CB1" numobs="2424" mean="120.68" stdev="32.68" mindiff="0.59" local_density="0.45" obsval="14.71"/>
	</ModelledSubgroup>
	<ModelledSubgroup num-H-reduce="14" mogul_rmsz_numbonds="18" mogul_rmsz_numangles="21" mogul_angles_rmsz="1.27" mogul_bonds_rmsz="0.78" model="1" chain="A" resnum="1188" said="D" ent="3" seq="." icode=" " resname="GSH" altcode=" ">
		<clash atom="HA2" dist="1.90" clashmag="0.54" cid="7"/>
		<mog-angle-outlier atoms="C2,CA2,N2" numobs="3959" mean="111.11" stdev="2.71" mindiff="0.01" Zscore="2.44" obsval="117.72"/>
		<mog-angle-outlier atoms="CA2,CB2,SG2" numobs="35" mean="114.16" stdev="1.13" mindiff="1.71" Zscore="-4.24" obsval="109.38"/>
		<mog-torsion-outlier atoms="O12,C1,CA1,N1" numobs="61" mean="124.25" stdev="62.62" mindiff="1.58" local_density="3.28" obsval="179.91"/>
		<mog-torsion-outlier atoms="OE1,CD1,CG1,CB1" numobs="2579" mean="59.20" stdev="27.04" mindiff="0.17" local_density="4.73" obsval="101.59"/>
		<mog-torsion-outlier atoms="O2,C2,CA2,N2" numobs="4035" mean="96.16" stdev="53.13" mindiff="0.07" local_density="3.84" obsval="12.95"/>
		<mog-torsion-outlier atoms="N3,C2,CA2,N2" numobs="3922" mean="99.41" stdev="52.96" mindiff="0.05" local_density="3.90" obsval="-170.20"/>
		<mog-torsion-outlier atoms="O2,C2,CA2,CB2" numobs="117" mean="71.94" stdev="30.99" mindiff="3.33" local_density="0.85" obsval="142.54"/>
		<mog-torsion-outlier atoms="N3,C2,CA2,CB2" numobs="97" mean="71.62" stdev="34.04" mindiff="5.85" local_density="2.06" obsval="-40.61"/>
		<mog-torsion-outlier atoms="C2,CA2,CB2,SG2" numobs="123" mean="71.68" stdev="31.59" mindiff="14.99" local_density="0.00" obsval="150.22"/>
		<mog-torsion-outlier atoms="O31,C3,CA3,N3" numobs="329" mean="69.03" stdev="13.69" mindiff="8.00" local_density="0.30" obsval="104.58"/>
		<mog-torsion-outlier atoms="O32,C3,CA3,N3" numobs="329" mean="81.85" stdev="14.12" mindiff="3.50" local_density="0.61" obsval="-96.98"/>
	</ModelledSubgroup>
	<ModelledSubgroup model="1" chain="A" resnum="268" said="E" ent="4" seq="." icode=" " resname="HOH" altcode=" ">
		<clash atom="O" dist="2.14" clashmag="0.48" cid="10"/>
	</ModelledSubgroup>
	<ModelledSubgroup model="1" chain="A" resnum="309" said="E" ent="4" seq="." icode=" " resname="HOH" altcode=" ">
		<clash atom="O" dist="2.19" clashmag="0.42" cid="20"/>
	</ModelledSubgroup>
	<ModelledSubgroup model="1" chain="A" resnum="320" said="E" ent="4" seq="." icode=" " resname="HOH" altcode=" ">
		<clash atom="O" dist="2.19" clashmag="0.42" cid="18"/>
	</ModelledSubgroup>
	<ModelledSubgroup model="1" chain="A" resnum="423" said="E" ent="4" seq="." icode=" " resname="HOH" altcode=" ">
		<clash atom="O" dist="2.17" clashmag="0.44" cid="16"/>
	</ModelledSubgroup>
	<ModelledSubgroup model="1" chain="A" resnum="443" said="E" ent="4" seq="." icode=" " resname="HOH" altcode=" ">
		<clash atom="O" dist="2.20" clashmag="0.41" cid="23"/>
	</ModelledSubgroup>
	<ModelledSubgroup model="1" chain="A" resnum="448" said="E" ent="4" seq="." icode=" " resname="HOH" altcode=" ">
		<clash atom="O" dist="2.07" clashmag="0.55" cid="6"/>
	</ModelledSubgroup>
	<ModelledEntityInstance bonds_rmsz="0.56" num_bonds_rmsz="2156" angles_rmsz="1.00" num_angles_rmsz="2931" absolute_sidechain_percentile="35.04" relative_sidechain_percentile="22.51" absolute_rama_percentile="100.00" relative_rama_percentile="100.00" said="A" model="1" chain="A" ent="1"/>
	<programs>
		<program name="validation-pipeline" version="2.49" properties="attemptedValidationSteps,PDB-revision-date,PDB-resolution,PDB-R,PDB-Rfree,PDB-deposition-date,PDB-resolution-low,protein-DNA-RNA-entities,extended_pdbid,PDB-revision-number,XMLcreationDate,pdbid,percentilebins"/>
		<program name="molprobity" version="4-5-2 with Phenix2.0" properties="angle-outlier,bond-outlier,absolute_rama_percentile,bonds_rmsz,psi,phi,rama,absolute_sidechain_percentile,angles_rmsz,flippable-sidechain,relative_rama_percentile,cis_peptide,clashscore,percent-rama-outliers,num-H-reduce,rota,relative_sidechain_percentile,num_angles_rmsz,clash,RestypesNotcheckedForBondAngleGeometry,num_bonds_rmsz,percent-rota-outliers"/>
		<program name="mogul" version="2022.3.0, CSD as543be (2022)" properties="mogul-angle-outlier,mogul_rmsz_numbonds,mogul_rmsz_numangles,mogul_angles_rmsz,mogul_bonds_rmsz,mogul-ignore,mogul-bond-outlier,mogul-torsion-outlier"/>
		<program name="buster-report" version="wwPDB partial adaption of 1.1.7 (2018)" properties="ligands-for-buster-report"/>
		<program name="percentiles" version="20250101.v01 (using entries in the PDB archive January 1st 2025)" properties="numPDBids-relative-percentile-clashscore,numPDBids-relative-percentile-percent-rama-outliers,relative-percentile-percent-rota-outliers,numPDBids-absolute-percentile-percent-rota-outliers,high-resol-relative-percentile-percent-rota-outliers,numPDBids-absolute-percentile-clashscore,absolute-percentile-percent-rama-outliers,high-resol-relative-percentile-percent-rama-outliers,numPDBids-relative-percentile-percent-rota-outliers,low-resol-relative-percentile-clashscore,low-resol-relative-percentile-percent-rota-outliers,relative-percentile-clashscore,absolute-percentile-percent-rota-outliers,low-resol-relative-percentile-percent-rama-outliers,absolute-percentile-clashscore,high-resol-relative-percentile-clashscore,relative-percentile-percent-rama-outliers,numPDBids-absolute-percentile-percent-rama-outliers"/>
	</programs>
</wwPDB-validation-information>
