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	<ModelledSubgroup num-H-reduce="3" model="1" chain="B" resnum="457" said="B" ent="1" seq="457" icode=" " resname="GLY" altcode=" "/>
	<ModelledSubgroup num-H-reduce="30" mogul_bonds_rmsz="1.35" mogul_rmsz_numangles="67" mogul_rmsz_numbonds="50" mogul_angles_rmsz="1.13" model="1" chain="B" resnum="472" said="D" ent="2" seq="." icode=" " resname="HEM" altcode=" ">
		<clash atom="NA" dist="2.15" clashmag="0.61" cid="6"/>
		<clash atom="C1A" dist="2.50" clashmag="0.46" cid="7"/>
		<mog-angle-outlier atoms="C2B,C1B,NB" numobs="59" mean="109.84" stdev="1.15" mindiff="0.15" Zscore="2.33" obsval="112.51"/>
		<mog-angle-outlier atoms="C3B,C2B,C1B" numobs="28" mean="106.41" stdev="0.75" mindiff="0.11" Zscore="-2.61" obsval="104.45"/>
		<mog-angle-outlier atoms="C3B,C4B,NB" numobs="24" mean="109.47" stdev="0.72" mindiff="1.31" Zscore="3.54" obsval="112.01"/>
		<mog-angle-outlier atoms="C3C,C2C,C1C" numobs="25" mean="107.05" stdev="0.95" mindiff="0.46" Zscore="-2.63" obsval="104.55"/>
		<mog-torsion-outlier atoms="C2B,C3B,CAB,CBB" numobs="103" mean="55.07" stdev="33.03" mindiff="4.29" local_density="1.94" obsval="57.76"/>
		<mog-torsion-outlier atoms="C2C,C3C,CAC,CBC" numobs="103" mean="54.01" stdev="35.59" mindiff="1.33" local_density="1.94" obsval="-54.80"/>
		<mog-torsion-outlier atoms="CAD,CBD,CGD,O1D" numobs="4071" mean="100.07" stdev="42.79" mindiff="0.01" local_density="4.25" obsval="137.16"/>
		<mog-torsion-outlier atoms="CAD,CBD,CGD,O2D" numobs="4071" mean="101.87" stdev="43.78" mindiff="0.02" local_density="4.50" obsval="-41.05"/>
		<mog-bond-outlier atoms="O2A,CGA" numobs="10681" mean="1.30" stdev="0.03" mindiff="0.00" Zscore="-2.63" obsval="1.22"/>
		<mog-bond-outlier atoms="C1B,C2B" numobs="853" mean="1.44" stdev="0.02" mindiff="0.00" Zscore="2.04" obsval="1.48"/>
		<mog-bond-outlier atoms="CMB,C2B" numobs="10571" mean="1.50" stdev="0.02" mindiff="0.00" Zscore="2.06" obsval="1.55"/>
		<mog-bond-outlier atoms="CAB,C3B" numobs="151" mean="1.47" stdev="0.03" mindiff="0.04" Zscore="-3.18" obsval="1.38"/>
		<mog-bond-outlier atoms="CBB,CAB" numobs="915" mean="1.30" stdev="0.05" mindiff="0.00" Zscore="2.55" obsval="1.42"/>
		<mog-bond-outlier atoms="CMC,C2C" numobs="10571" mean="1.50" stdev="0.02" mindiff="0.00" Zscore="2.28" obsval="1.55"/>
		<mog-bond-outlier atoms="CAC,C3C" numobs="151" mean="1.47" stdev="0.03" mindiff="0.03" Zscore="-2.93" obsval="1.39"/>
		<mog-bond-outlier atoms="CBC,CAC" numobs="915" mean="1.30" stdev="0.05" mindiff="0.00" Zscore="2.99" obsval="1.44"/>
		<mog-bond-outlier atoms="O2D,CGD" numobs="10681" mean="1.30" stdev="0.03" mindiff="0.00" Zscore="-2.74" obsval="1.21"/>
		<mog-bond-outlier atoms="FE,NB" numobs="72" mean="1.94" stdev="0.03" mindiff="0.04" Zscore="3.20" obsval="2.04"/>
	</ModelledSubgroup>
	<ModelledSubgroup model="1" chain="B" resnum="2182" said="F" ent="3" seq="." icode=" " resname="HOH" altcode=" ">
		<clash atom="O" dist="1.81" clashmag="0.62" cid="5"/>
	</ModelledSubgroup>
	<ModelledSubgroup model="1" chain="B" resnum="2333" said="F" ent="3" seq="." icode=" " resname="HOH" altcode=" ">
		<clash atom="O" dist="1.86" clashmag="0.57" cid="14"/>
	</ModelledSubgroup>
	<ModelledEntityInstance bonds_rmsz="1.16" num_bonds_rmsz="3763" angles_rmsz="1.89" num_angles_rmsz="5087" absolute_sidechain_percentile="15.30" relative_sidechain_percentile="12.05" absolute_rama_percentile="14.01" relative_rama_percentile="9.41" said="A" model="1" chain="A" ent="1"/>
	<ModelledEntityInstance bonds_rmsz="1.17" num_bonds_rmsz="3763" angles_rmsz="1.85" num_angles_rmsz="5087" absolute_sidechain_percentile="17.10" relative_sidechain_percentile="13.90" absolute_rama_percentile="43.15" relative_rama_percentile="41.91" said="B" model="1" chain="B" ent="1"/>
	<programs>
		<program name="validation-pipeline" version="2.49" properties="percentilebins,PDB-revision-date,extended_pdbid,pdbid,PDB-deposition-date,PDB-revision-number,PDB-resolution,protein-DNA-RNA-entities,PDB-resolution-low,attemptedValidationSteps,PDB-R,PDB-Rfree,XMLcreationDate"/>
		<program name="validation-pack" version="unknown" properties="plane-outlier"/>
		<program name="molprobity" version="4-5-2 with Phenix2.0" properties="num_angles_rmsz,clash,angle-outlier,relative_rama_percentile,psi,num-H-reduce,phi,angles_rmsz,RestypesNotcheckedForBondAngleGeometry,num_bonds_rmsz,percent-rama-outliers,absolute_sidechain_percentile,relative_sidechain_percentile,bonds_rmsz,flippable-sidechain,clashscore,rota,rama,percent-rota-outliers,absolute_rama_percentile,bond-outlier"/>
		<program name="mogul" version="2022.3.0, CSD as543be (2022)" properties="mogul-bond-outlier,mogul-angle-outlier,mogul_bonds_rmsz,mogul-torsion-outlier,mogul_rmsz_numangles,mogul_rmsz_numbonds,mogul_angles_rmsz"/>
		<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="high-resol-relative-percentile-percent-rama-outliers,numPDBids-absolute-percentile-clashscore,high-resol-relative-percentile-percent-rota-outliers,numPDBids-relative-percentile-clashscore,relative-percentile-percent-rama-outliers,relative-percentile-percent-rota-outliers,high-resol-relative-percentile-clashscore,absolute-percentile-percent-rota-outliers,numPDBids-absolute-percentile-percent-rota-outliers,numPDBids-relative-percentile-percent-rota-outliers,low-resol-relative-percentile-percent-rama-outliers,relative-percentile-clashscore,low-resol-relative-percentile-percent-rota-outliers,low-resol-relative-percentile-clashscore,absolute-percentile-clashscore,absolute-percentile-percent-rama-outliers,numPDBids-absolute-percentile-percent-rama-outliers,numPDBids-relative-percentile-percent-rama-outliers"/>
	</programs>
</wwPDB-validation-information>
