<?xml version="1.0" ?>
<wwPDB-validation-information xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="http://wwpdb.org/validation/schema/wwpdb_validation_v002.xsd">
	<Entry B_factor_type="PARTIAL" CCP4version="7.0 (Gargrove)" DCC_R="0.20" DCC_Rfree="0.22" DCC_refinement_program="REFMAC" DataAnisotropy="0.564" DataCompleteness="93.85" EDS_R="0.20" EDS_resolution="1.60" EDS_resolution_low="29.99" Fo_Fc_correlation="0.958" IoverSigma="1.61(1.60A)" PDB-R="0.19" PDB-Rfree="0.21" PDB-deposition-date="2006-02-20" PDB-resolution="1.60" PDB-resolution-low="29.99" PDB-revision-date="2019-05-08" PDB-revision-number="3" RefmacVersion="5.8.0158" RestypesNotcheckedForBondAngleGeometry="GOL,R4A,NA,SO4,TPQ,CU" TransNCS="The analyses of the Patterson function reveals a significant off-origin peak that is 77.91 % of the origin peak, indicating pseudo-translational symmetry.  The chance of finding a peak of this or larger height by random in a structure without pseudo-translational symmetry is equal to 7.7218e-07. The detected translational NCS is most likely also responsible for the elevated intensity ratio.  See the relevant section of the logfile for more details." TwinL="0.435" TwinL2="0.261" WilsonBaniso="[18.764,29.489,17.179,0.000,-0.268,0.000]" WilsonBestimate="21.691" XMLcreationDate="May  3, 2019 -- 07:59 AM EDT" absolute-percentile-DCC_Rfree="69.2" absolute-percentile-clashscore="92.7" absolute-percentile-percent-RSRZ-outliers="21.5" absolute-percentile-percent-rama-outliers="53.3" absolute-percentile-percent-rota-outliers="69.4" acentric_outliers="0" angles_rmsz="0.82" attemptedValidationSteps="mogul,molprobity,validation-pack,xtriage,eds,percentiles,writexml" babinet_b="47.466" babinet_k="0.409" bonds_rmsz="0.55" bulk_solvent_b="44.552" bulk_solvent_k="0.444" centric_outliers="0" clashscore="1.64" high-resol-relative-percentile-DCC_Rfree="1.6" high-resol-relative-percentile-clashscore="1.6" high-resol-relative-percentile-percent-RSRZ-outliers="1.6" high-resol-relative-percentile-percent-rama-outliers="1.6" high-resol-relative-percentile-percent-rota-outliers="1.6" low-resol-relative-percentile-DCC_Rfree="1.6" low-resol-relative-percentile-clashscore="1.6" low-resol-relative-percentile-percent-RSRZ-outliers="1.6" low-resol-relative-percentile-percent-rama-outliers="1.6" low-resol-relative-percentile-percent-rota-outliers="1.6" num-H-reduce="9567" num-free-reflections="10383" numMillerIndices="206734" numPDBids-absolute-percentile-DCC_Rfree="111664" numPDBids-absolute-percentile-clashscore="122126" numPDBids-absolute-percentile-percent-RSRZ-outliers="108989" numPDBids-absolute-percentile-percent-rama-outliers="120053" numPDBids-absolute-percentile-percent-rota-outliers="120020" numPDBids-relative-percentile-DCC_Rfree="2957" numPDBids-relative-percentile-clashscore="3202" numPDBids-relative-percentile-percent-RSRZ-outliers="2883" numPDBids-relative-percentile-percent-rama-outliers="3117" numPDBids-relative-percentile-percent-rota-outliers="3116" num_angles_rmsz="13608" num_bonds_rmsz="9996" pdbid="2CFD" percent-RSRZ-outliers="5.99" percent-free-reflections="5.02" percent-rama-outliers="0.08" percent-rota-outliers="1.37" percentilebins="all,1.6,xray" protein-DNA-RNA-entities="1" relative-percentile-DCC_Rfree="40.9" relative-percentile-clashscore="89.5" relative-percentile-percent-RSRZ-outliers="19.7" relative-percentile-percent-rama-outliers="29.6" relative-percentile-percent-rota-outliers="49.6" xtriage_input_columns="F_meas_au,F_meas_sigma_au"/>
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		<clash atom="O" cid="19" clashmag="0.48" dist="2.14"/>
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		<clash atom="HD22" cid="12" clashmag="0.51" dist="2.26"/>
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		<clash atom="HA" cid="28" clashmag="0.41" dist="2.01"/>
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	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="6" owab="21.230" phi="-135.4" psi="91.5" rama="Favored" resname="GLU" resnum="614" rota="tp10" rscc="0.927" rsr="0.090" rsrz="-0.549" said="A" seq="612"/>
	<ModelledSubgroup NatomsEDS="4" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="3" owab="15.720" phi="64.0" psi="21.3" rama="Favored" resname="GLY" resnum="615" rscc="0.977" rsr="0.071" rsrz="-0.361" said="A" seq="613"/>
	<ModelledSubgroup NatomsEDS="11" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="9" owab="16.060" phi="-71.2" psi="-42.1" rama="Favored" resname="PHE" resnum="616" rota="t80" rscc="0.971" rsr="0.072" rsrz="-0.513" said="A" seq="614"/>
	<ModelledSubgroup NatomsEDS="11" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="9" owab="15.990" phi="-96.7" psi="166.8" rama="Favored" resname="PHE" resnum="617" rota="m-85" rscc="0.970" rsr="0.068" rsrz="-0.625" said="A" seq="615"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="4" owab="18.030" phi="-91.4" psi="-6.0" rama="Favored" resname="ASP" resnum="618" rota="m-20" rscc="0.933" rsr="0.092" rsrz="-0.227" said="A" seq="616"/>
	<ModelledSubgroup NatomsEDS="11" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="13" owab="19.000" phi="-178.4" psi="177.9" rama="Allowed" resname="ARG" resnum="619" rota="ptp85" rscc="0.967" rsr="0.053" rsrz="-1.045" said="A" seq="617"/>
	<ModelledSubgroup NatomsEDS="6" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="5" owab="16.870" phi="-48.7" psi="130.5" rama="Favored" resname="SER" resnum="620" rota="t" rscc="0.970" rsr="0.099" rsrz="0.054" said="A" seq="618"/>
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	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="9" owab="16.600" phi="-122.7" psi="25.5" rama="Favored" resname="VAL" resnum="622" rota="m" rscc="0.989" rsr="0.100" rsrz="0.157" said="A" seq="620"/>
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	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="4" owab="18.190" phi="-95.2" psi="5.1" rama="Favored" resname="ASP" resnum="624" rota="p-10" rscc="0.957" rsr="0.047" rsrz="-0.982" said="A" seq="622"/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" mogul-ignore="yes" owab="28.950" resname="NA" resnum="703" rscc="0.983" rsr="0.079" said="D" seq="."/>
	<ModelledSubgroup NatomsEDS="53" altcode=" " avgoccu="0.762" chain="A" ent="4" icode=" " ligand_chirality_outlier="yes" model="1" mogul_angles_rmsz="2.79" mogul_bonds_rmsz="3.79" mogul_rmsz_numangles="46" mogul_rmsz_numbonds="53" num-H-reduce="56" owab="37.510" resname="R4A" resnum="705" rscc="0.961" rsr="0.112" said="E" seq=".">
		<chiral-outlier atom="CAK" problem="PLANAR"/>
		<chiral-outlier atom="CBG" problem="PLANAR"/>
		<chiral-outlier atom="CCF" problem="PLANAR"/>
		<chiral-outlier atom="CBF" problem="PLANAR"/>
		<chiral-outlier atom="CCG" problem="PLANAR"/>
		<clash atom="HNF" cid="25" clashmag="0.43" dist="1.86"/>
		<clash atom="HBD1" cid="8" clashmag="0.53" dist="1.91"/>
		<clash atom="HM23" cid="25" clashmag="0.43" dist="1.86"/>
		<mog-bond-outlier Zscore="2.07" atoms="CNE,NNG" mean="1.37" mindiff="0.00" numobs="6643" obsval="1.42" stdev="0.02"/>
		<mog-bond-outlier Zscore="-4.31" atoms="CAK,CAL" mean="1.54" mindiff="0.02" numobs="20" obsval="1.48" stdev="0.01"/>
		<mog-bond-outlier Zscore="3.86" atoms="CAM,CAL" mean="1.33" mindiff="0.00" numobs="326" obsval="1.41" stdev="0.02"/>
		<mog-bond-outlier Zscore="-2.48" atoms="CAK,CAJ" mean="1.51" mindiff="0.00" numobs="22" obsval="1.41" stdev="0.04"/>
		<mog-bond-outlier Zscore="5.28" atoms="CAI,CAJ" mean="1.33" mindiff="0.01" numobs="328" obsval="1.41" stdev="0.02"/>
		<mog-bond-outlier Zscore="4.60" atoms="CAC,CAB" mean="1.39" mindiff="0.03" numobs="26" obsval="1.45" stdev="0.01"/>
		<mog-bond-outlier Zscore="3.90" atoms="CAC,CAH" mean="1.42" mindiff="0.01" numobs="56" obsval="1.46" stdev="0.01"/>
		<mog-bond-outlier Zscore="-2.06" atoms="CAN,CAM" mean="1.48" mindiff="0.00" numobs="119" obsval="1.40" stdev="0.04"/>
		<mog-bond-outlier Zscore="-7.17" atoms="CCK,NCL" mean="1.49" mindiff="0.09" numobs="64" obsval="1.35" stdev="0.02"/>
		<mog-bond-outlier Zscore="-4.06" atoms="CCK,CCJ" mean="1.51" mindiff="0.00" numobs="322" obsval="1.40" stdev="0.03"/>
		<mog-bond-outlier Zscore="-2.29" atoms="CCJ,CCI" mean="1.48" mindiff="0.00" numobs="593" obsval="1.40" stdev="0.04"/>
		<mog-bond-outlier Zscore="2.68" atoms="CCH,CCI" mean="1.32" mindiff="0.00" numobs="804" obsval="1.39" stdev="0.03"/>
		<mog-bond-outlier Zscore="-3.08" atoms="CCG,CCF" mean="1.54" mindiff="0.00" numobs="45" obsval="1.50" stdev="0.01"/>
		<mog-bond-outlier Zscore="-2.55" atoms="CCE,CCF" mean="1.53" mindiff="0.00" numobs="2202" obsval="1.47" stdev="0.02"/>
		<mog-bond-outlier Zscore="-7.70" atoms="CCD,CCE" mean="1.53" mindiff="0.00" numobs="10000" obsval="1.32" stdev="0.03"/>
		<mog-bond-outlier Zscore="-4.67" atoms="CCB,CCC" mean="1.51" mindiff="0.00" numobs="10000" obsval="1.34" stdev="0.04"/>
		<mog-bond-outlier Zscore="-10.88" atoms="CCB,NCA" mean="1.49" mindiff="0.16" numobs="64" obsval="1.27" stdev="0.02"/>
		<mog-bond-outlier Zscore="-7.39" atoms="CBK,NBL" mean="1.49" mindiff="0.09" numobs="64" obsval="1.34" stdev="0.02"/>
		<mog-bond-outlier Zscore="-2.99" atoms="CBK,CBJ" mean="1.51" mindiff="0.00" numobs="10000" obsval="1.40" stdev="0.04"/>
		<mog-bond-outlier Zscore="-2.97" atoms="CBI,CBJ" mean="1.51" mindiff="0.00" numobs="10000" obsval="1.39" stdev="0.04"/>
		<mog-bond-outlier Zscore="-5.06" atoms="CBI,CBH" mean="1.53" mindiff="0.00" numobs="10000" obsval="1.39" stdev="0.03"/>
		<mog-bond-outlier Zscore="-6.35" atoms="CBH,CBG" mean="1.53" mindiff="0.00" numobs="2202" obsval="1.39" stdev="0.02"/>
		<mog-bond-outlier Zscore="-7.40" atoms="CBD,CBE" mean="1.53" mindiff="0.00" numobs="10000" obsval="1.33" stdev="0.03"/>
		<mog-bond-outlier Zscore="-4.64" atoms="CBB,CBC" mean="1.51" mindiff="0.00" numobs="10000" obsval="1.34" stdev="0.04"/>
		<mog-bond-outlier Zscore="-10.48" atoms="CBB,NBA" mean="1.49" mindiff="0.15" numobs="64" obsval="1.28" stdev="0.02"/>
		<mog-angle-outlier Zscore="2.08" atoms="CL4,OL5,CNA" mean="117.91" mindiff="0.05" numobs="7899" obsval="123.33" stdev="2.60"/>
		<mog-angle-outlier Zscore="2.73" atoms="CAK,CAL,CAM" mean="112.14" mindiff="0.10" numobs="22" obsval="118.02" stdev="2.15"/>
		<mog-angle-outlier Zscore="4.71" atoms="CAJ,CAK,CAB" mean="108.47" mindiff="6.60" numobs="43" obsval="118.47" stdev="2.12"/>
		<mog-angle-outlier Zscore="-3.29" atoms="CAC,CAH,CAI" mean="124.13" mindiff="0.64" numobs="97" obsval="118.49" stdev="1.71"/>
		<mog-angle-outlier Zscore="-3.50" atoms="CAG,CAH,CAC" mean="118.58" mindiff="1.28" numobs="62" obsval="116.09" stdev="0.71"/>
		<mog-angle-outlier Zscore="2.15" atoms="CAG,CAH,CAI" mean="121.43" mindiff="0.05" numobs="102" obsval="125.42" stdev="1.86"/>
		<mog-angle-outlier Zscore="2.35" atoms="CAE,CAF,CAG" mean="119.43" mindiff="0.03" numobs="10000" obsval="122.91" stdev="1.48"/>
		<mog-angle-outlier Zscore="2.22" atoms="CCJ,CCK,NCL" mean="111.94" mindiff="0.04" numobs="21" obsval="119.59" stdev="3.45"/>
		<mog-angle-outlier Zscore="-2.05" atoms="CCJ,CCI,CCH" mean="123.66" mindiff="0.09" numobs="300" obsval="120.04" stdev="1.77"/>
		<mog-angle-outlier Zscore="5.17" atoms="CCF,CCG,NCL" mean="107.68" mindiff="3.14" numobs="21" obsval="113.27" stdev="1.08"/>
		<mog-angle-outlier Zscore="4.44" atoms="CCD,CCE,CCF" mean="111.22" mindiff="0.10" numobs="2159" obsval="119.22" stdev="1.80"/>
		<mog-angle-outlier Zscore="2.36" atoms="CCC,CCD,CCE" mean="111.42" mindiff="0.11" numobs="10000" obsval="116.26" stdev="2.05"/>
		<mog-angle-outlier Zscore="4.75" atoms="CCB,CCC,CCD" mean="111.46" mindiff="0.04" numobs="1523" obsval="119.58" stdev="1.71"/>
		<mog-angle-outlier Zscore="6.08" atoms="CCC,CCB,NCA" mean="113.00" mindiff="6.03" numobs="41" obsval="122.91" stdev="1.63"/>
		<mog-angle-outlier Zscore="4.20" atoms="CBJ,CBK,NBL" mean="113.00" mindiff="2.98" numobs="41" obsval="119.86" stdev="1.63"/>
		<mog-angle-outlier Zscore="4.96" atoms="CBK,CBJ,CBI" mean="111.46" mindiff="0.08" numobs="1523" obsval="119.96" stdev="1.71"/>
		<mog-angle-outlier Zscore="4.17" atoms="CBJ,CBI,CBH" mean="111.42" mindiff="0.11" numobs="10000" obsval="119.99" stdev="2.05"/>
		<mog-angle-outlier Zscore="4.40" atoms="CBI,CBH,CBG" mean="111.22" mindiff="0.03" numobs="2159" obsval="119.15" stdev="1.80"/>
		<mog-angle-outlier Zscore="3.62" atoms="CBD,CBE,CBF" mean="111.22" mindiff="0.11" numobs="2159" obsval="117.74" stdev="1.80"/>
		<mog-angle-outlier Zscore="2.92" atoms="CBC,CBD,CBE" mean="111.42" mindiff="0.03" numobs="10000" obsval="117.41" stdev="2.05"/>
		<mog-angle-outlier Zscore="4.82" atoms="CBB,CBC,CBD" mean="111.46" mindiff="0.08" numobs="1523" obsval="119.71" stdev="1.71"/>
		<mog-angle-outlier Zscore="5.57" atoms="CBC,CBB,NBA" mean="113.00" mindiff="5.20" numobs="41" obsval="122.08" stdev="1.63"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="A" ent="5" icode=" " model="1" mogul_angles_rmsz="0.49" mogul_bonds_rmsz="0.20" mogul_rmsz_numangles="6" mogul_rmsz_numbonds="4" owab="56.470" resname="SO4" resnum="710" rscc="0.837" rsr="0.224" said="F" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="7" icode=" " model="1" owab="43.820" resname="HOH" resnum="2004" rscc="0.923" rsr="0.103" said="R" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="7" icode=" " model="1" owab="41.360" resname="HOH" resnum="2005" rscc="0.948" rsr="0.149" said="R" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="7" icode=" " model="1" owab="37.010" resname="HOH" resnum="2006" rscc="0.958" rsr="0.103" said="R" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="7" icode=" " model="1" owab="33.530" resname="HOH" resnum="2007" rscc="0.970" rsr="0.121" said="R" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="7" icode=" " model="1" owab="40.770" resname="HOH" resnum="2008" rscc="0.924" rsr="0.075" said="R" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="7" icode=" " model="1" owab="35.290" resname="HOH" resnum="2009" rscc="0.850" rsr="0.144" said="R" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="7" icode=" " model="1" owab="38.770" resname="HOH" resnum="2010" rscc="0.960" rsr="0.077" said="R" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="7" icode=" " model="1" owab="38.070" resname="HOH" resnum="2013" rscc="0.979" rsr="0.065" said="R" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="7" icode=" " model="1" owab="37.110" resname="HOH" resnum="2015" rscc="0.957" rsr="0.203" said="R" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="7" icode=" " model="1" owab="34.860" resname="HOH" resnum="2023" rscc="0.973" rsr="0.099" said="R" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="0.500" chain="A" ent="7" icode=" " model="1" owab="33.650" resname="HOH" resnum="2024" rscc="0.980" rsr="0.049" said="R" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="7" icode=" " model="1" owab="38.990" resname="HOH" resnum="2025" rscc="0.943" rsr="0.103" said="R" seq="."/>
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		<clash atom="O" cid="22" clashmag="0.46" dist="2.48"/>
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		<angle-outlier atom0="CB" atom1="CG" atom2="OD2" mean="118.300" obs="123.149" stdev="0.900" z="5.39"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="11" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="13" owab="22.180" phi="-76.3" psi="110.7" rama="Favored" resname="ARG" resnum="58" rota="mmm180" rscc="0.953" rsr="0.072" rsrz="-0.729" said="B" seq="56"/>
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		<angle-outlier atom0="NE" atom1="CZ" atom2="NH2" mean="120.300" obs="115.942" stdev="0.500" z="-8.72"/>
		<clash atom="HH22" cid="6" clashmag="0.55" dist="2.09"/>
		<clash atom="NH2" cid="15" clashmag="0.50" dist="2.41"/>
	</ModelledSubgroup>
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		<angle-outlier atom0="CB" atom1="CG" atom2="OD2" mean="118.300" obs="122.844" stdev="0.900" z="5.05"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="9" owab="22.700" phi="-77.9" psi="-9.0" rama="Favored" resname="VAL" resnum="67" rota="m" rscc="0.941" rsr="0.130" rsrz="0.940" said="B" seq="65"/>
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		<clash atom="CD2" cid="1" clashmag="0.60" dist="2.36"/>
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		<chiral-outlier atom="CAK" problem="PLANAR"/>
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		<chiral-outlier atom="CCF" problem="PLANAR"/>
		<chiral-outlier atom="CBF" problem="PLANAR"/>
		<chiral-outlier atom="CCG" problem="PLANAR"/>
		<clash atom="HCD1" cid="0" clashmag="0.66" dist="2.11"/>
		<clash atom="HM23" cid="26" clashmag="0.42" dist="1.77"/>
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		<clash atom="HNF" cid="26" clashmag="0.42" dist="1.77"/>
		<mog-bond-outlier Zscore="-4.26" atoms="CAK,CAL" mean="1.54" mindiff="0.02" numobs="20" obsval="1.48" stdev="0.01"/>
		<mog-bond-outlier Zscore="3.50" atoms="CAM,CAL" mean="1.33" mindiff="0.00" numobs="326" obsval="1.40" stdev="0.02"/>
		<mog-bond-outlier Zscore="-2.67" atoms="CAK,CAJ" mean="1.51" mindiff="0.00" numobs="22" obsval="1.40" stdev="0.04"/>
		<mog-bond-outlier Zscore="5.15" atoms="CAI,CAJ" mean="1.33" mindiff="0.01" numobs="328" obsval="1.41" stdev="0.02"/>
		<mog-bond-outlier Zscore="4.42" atoms="CAC,CAB" mean="1.39" mindiff="0.03" numobs="26" obsval="1.45" stdev="0.01"/>
		<mog-bond-outlier Zscore="3.97" atoms="CAC,CAH" mean="1.42" mindiff="0.01" numobs="56" obsval="1.46" stdev="0.01"/>
		<mog-bond-outlier Zscore="2.30" atoms="CAC,NAD" mean="1.37" mindiff="0.00" numobs="42" obsval="1.40" stdev="0.01"/>
		<mog-bond-outlier Zscore="-7.07" atoms="CCK,NCL" mean="1.49" mindiff="0.09" numobs="64" obsval="1.35" stdev="0.02"/>
		<mog-bond-outlier Zscore="-3.99" atoms="CCK,CCJ" mean="1.51" mindiff="0.00" numobs="322" obsval="1.40" stdev="0.03"/>
		<mog-bond-outlier Zscore="-2.33" atoms="CCJ,CCI" mean="1.48" mindiff="0.00" numobs="593" obsval="1.40" stdev="0.04"/>
		<mog-bond-outlier Zscore="2.81" atoms="CCH,CCI" mean="1.32" mindiff="0.00" numobs="804" obsval="1.39" stdev="0.03"/>
		<mog-bond-outlier Zscore="-2.88" atoms="CCG,CCF" mean="1.54" mindiff="0.00" numobs="45" obsval="1.50" stdev="0.01"/>
		<mog-bond-outlier Zscore="-2.41" atoms="CCE,CCF" mean="1.53" mindiff="0.00" numobs="2202" obsval="1.47" stdev="0.02"/>
		<mog-bond-outlier Zscore="-7.58" atoms="CCD,CCE" mean="1.53" mindiff="0.00" numobs="10000" obsval="1.33" stdev="0.03"/>
		<mog-bond-outlier Zscore="-4.77" atoms="CCB,CCC" mean="1.51" mindiff="0.00" numobs="10000" obsval="1.34" stdev="0.04"/>
		<mog-bond-outlier Zscore="-11.14" atoms="CCB,NCA" mean="1.49" mindiff="0.17" numobs="64" obsval="1.27" stdev="0.02"/>
		<mog-bond-outlier Zscore="-6.84" atoms="CBK,NBL" mean="1.49" mindiff="0.08" numobs="64" obsval="1.35" stdev="0.02"/>
		<mog-bond-outlier Zscore="-3.00" atoms="CBK,CBJ" mean="1.51" mindiff="0.00" numobs="10000" obsval="1.40" stdev="0.04"/>
		<mog-bond-outlier Zscore="-2.81" atoms="CBI,CBJ" mean="1.51" mindiff="0.00" numobs="10000" obsval="1.40" stdev="0.04"/>
		<mog-bond-outlier Zscore="-5.06" atoms="CBI,CBH" mean="1.53" mindiff="0.00" numobs="10000" obsval="1.39" stdev="0.03"/>
		<mog-bond-outlier Zscore="-5.84" atoms="CBH,CBG" mean="1.53" mindiff="0.00" numobs="2202" obsval="1.40" stdev="0.02"/>
		<mog-bond-outlier Zscore="-7.76" atoms="CBD,CBE" mean="1.53" mindiff="0.00" numobs="10000" obsval="1.32" stdev="0.03"/>
		<mog-bond-outlier Zscore="-4.51" atoms="CBB,CBC" mean="1.51" mindiff="0.00" numobs="10000" obsval="1.35" stdev="0.04"/>
		<mog-bond-outlier Zscore="-10.54" atoms="CBB,NBA" mean="1.49" mindiff="0.15" numobs="64" obsval="1.28" stdev="0.02"/>
		<mog-angle-outlier Zscore="2.97" atoms="CL4,OL5,CNA" mean="117.91" mindiff="0.03" numobs="7899" obsval="125.66" stdev="2.60"/>
		<mog-angle-outlier Zscore="2.39" atoms="CAK,CAL,CAM" mean="112.14" mindiff="0.10" numobs="22" obsval="117.27" stdev="2.15"/>
		<mog-angle-outlier Zscore="4.78" atoms="CAJ,CAK,CAB" mean="108.47" mindiff="6.74" numobs="43" obsval="118.62" stdev="2.12"/>
		<mog-angle-outlier Zscore="-3.18" atoms="CAC,CAH,CAI" mean="124.13" mindiff="0.45" numobs="97" obsval="118.68" stdev="1.71"/>
		<mog-angle-outlier Zscore="-3.62" atoms="CAG,CAH,CAC" mean="118.58" mindiff="1.37" numobs="62" obsval="116.00" stdev="0.71"/>
		<mog-angle-outlier Zscore="2.09" atoms="CAG,CAH,CAI" mean="121.43" mindiff="0.06" numobs="102" obsval="125.31" stdev="1.86"/>
		<mog-angle-outlier Zscore="2.50" atoms="CAE,CAF,CAG" mean="119.43" mindiff="0.01" numobs="10000" obsval="123.13" stdev="1.48"/>
		<mog-angle-outlier Zscore="-2.12" atoms="CAF,CAE,NAD" mean="122.70" mindiff="0.07" numobs="28" obsval="119.95" stdev="1.30"/>
		<mog-angle-outlier Zscore="2.18" atoms="CCJ,CCK,NCL" mean="111.94" mindiff="0.10" numobs="21" obsval="119.48" stdev="3.45"/>
		<mog-angle-outlier Zscore="5.63" atoms="CCF,CCG,NCL" mean="107.68" mindiff="3.64" numobs="21" obsval="113.77" stdev="1.08"/>
		<mog-angle-outlier Zscore="3.57" atoms="CCD,CCE,CCF" mean="111.22" mindiff="0.02" numobs="2159" obsval="117.64" stdev="1.80"/>
		<mog-angle-outlier Zscore="3.01" atoms="CCC,CCD,CCE" mean="111.42" mindiff="0.02" numobs="10000" obsval="117.60" stdev="2.05"/>
		<mog-angle-outlier Zscore="4.59" atoms="CCB,CCC,CCD" mean="111.46" mindiff="0.06" numobs="1523" obsval="119.31" stdev="1.71"/>
		<mog-angle-outlier Zscore="5.63" atoms="CCC,CCB,NCA" mean="113.00" mindiff="5.30" numobs="41" obsval="122.18" stdev="1.63"/>
		<mog-angle-outlier Zscore="4.31" atoms="CBJ,CBK,NBL" mean="113.00" mindiff="3.15" numobs="41" obsval="120.02" stdev="1.63"/>
		<mog-angle-outlier Zscore="5.30" atoms="CBK,CBJ,CBI" mean="111.46" mindiff="0.09" numobs="1523" obsval="120.53" stdev="1.71"/>
		<mog-angle-outlier Zscore="3.91" atoms="CBJ,CBI,CBH" mean="111.42" mindiff="0.07" numobs="10000" obsval="119.45" stdev="2.05"/>
		<mog-angle-outlier Zscore="4.34" atoms="CBI,CBH,CBG" mean="111.22" mindiff="0.09" numobs="2159" obsval="119.04" stdev="1.80"/>
		<mog-angle-outlier Zscore="3.68" atoms="CBD,CBE,CBF" mean="111.22" mindiff="0.02" numobs="2159" obsval="117.86" stdev="1.80"/>
		<mog-angle-outlier Zscore="2.79" atoms="CBC,CBD,CBE" mean="111.42" mindiff="0.03" numobs="10000" obsval="117.15" stdev="2.05"/>
		<mog-angle-outlier Zscore="4.94" atoms="CBB,CBC,CBD" mean="111.46" mindiff="0.04" numobs="1523" obsval="119.92" stdev="1.71"/>
		<mog-angle-outlier Zscore="5.68" atoms="CBC,CBB,NBA" mean="113.00" mindiff="5.38" numobs="41" obsval="122.26" stdev="1.63"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="B" ent="5" icode=" " model="1" mogul_angles_rmsz="0.36" mogul_bonds_rmsz="0.15" mogul_rmsz_numangles="6" mogul_rmsz_numbonds="4" owab="65.480" resname="SO4" resnum="710" rscc="0.887" rsr="0.202" said="L" seq="."/>
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	<ModelledSubgroup NatomsEDS="6" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" mogul_angles_rmsz="0.21" mogul_bonds_rmsz="0.37" mogul_rmsz_numangles="5" mogul_rmsz_numbonds="5" num-H-reduce="8" owab="48.440" resname="GOL" resnum="725" rscc="0.679" rsr="0.157" said="P" seq="."/>
	<ModelledSubgroup NatomsEDS="6" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" mogul_angles_rmsz="0.73" mogul_bonds_rmsz="0.29" mogul_rmsz_numangles="5" mogul_rmsz_numbonds="5" num-H-reduce="8" owab="41.520" resname="GOL" resnum="726" rscc="0.856" rsr="0.130" said="Q" seq=".">
		<clash atom="H32" cid="17" clashmag="0.48" dist="2.13"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="35.960" resname="HOH" resnum="2001" rscc="0.971" rsr="0.124" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="31.910" resname="HOH" resnum="2002" rscc="0.973" rsr="0.161" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="39.970" resname="HOH" resnum="2003" rscc="0.943" rsr="0.088" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="26.160" resname="HOH" resnum="2004" rscc="0.983" rsr="0.106" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="40.140" resname="HOH" resnum="2005" rscc="0.896" rsr="0.176" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="29.760" resname="HOH" resnum="2006" rscc="0.955" rsr="0.183" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="30.090" resname="HOH" resnum="2007" rscc="0.938" rsr="0.083" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="25.540" resname="HOH" resnum="2008" rscc="0.986" rsr="0.100" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="37.370" resname="HOH" resnum="2009" rscc="0.852" rsr="0.159" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="31.520" resname="HOH" resnum="2010" rscc="0.986" rsr="0.148" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="38.660" resname="HOH" resnum="2011" rscc="0.923" rsr="0.084" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="39.250" resname="HOH" resnum="2012" rscc="0.943" rsr="0.097" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="37.680" resname="HOH" resnum="2013" rscc="0.956" rsr="0.116" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="48.100" resname="HOH" resnum="2014" rscc="0.812" rsr="0.085" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="27.860" resname="HOH" resnum="2015" rscc="0.987" rsr="0.090" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="27.560" resname="HOH" resnum="2016" rscc="0.982" rsr="0.077" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="34.090" resname="HOH" resnum="2017" rscc="0.956" rsr="0.101" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="39.770" resname="HOH" resnum="2018" rscc="0.947" rsr="0.142" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="40.210" resname="HOH" resnum="2019" rscc="0.980" rsr="0.114" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="34.690" resname="HOH" resnum="2020" rscc="0.949" rsr="0.111" said="S" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="27.860" resname="HOH" resnum="2022" rscc="0.989" rsr="0.096" said="S" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="29.120" resname="HOH" resnum="2073" rscc="0.986" rsr="0.227" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="28.870" resname="HOH" resnum="2074" rscc="0.992" rsr="0.156" said="S" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="30.180" resname="HOH" resnum="2076" rscc="0.971" rsr="0.089" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="35.250" resname="HOH" resnum="2077" rscc="0.961" rsr="0.195" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="37.080" resname="HOH" resnum="2078" rscc="0.940" rsr="0.086" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="36.690" resname="HOH" resnum="2079" rscc="0.972" rsr="0.061" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="45.650" resname="HOH" resnum="2080" rscc="0.919" rsr="0.059" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="33.400" resname="HOH" resnum="2081" rscc="0.966" rsr="0.070" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="40.350" resname="HOH" resnum="2082" rscc="0.915" rsr="0.115" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="38.690" resname="HOH" resnum="2083" rscc="0.926" rsr="0.085" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="31.980" resname="HOH" resnum="2084" rscc="0.975" rsr="0.067" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="34.040" resname="HOH" resnum="2085" rscc="0.953" rsr="0.122" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="31.740" resname="HOH" resnum="2086" rscc="0.983" rsr="0.051" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="27.570" resname="HOH" resnum="2087" rscc="0.981" rsr="0.076" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="27.420" resname="HOH" resnum="2088" rscc="0.970" rsr="0.110" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="0.500" chain="B" ent="7" icode=" " model="1" owab="26.850" resname="HOH" resnum="2089" rscc="0.980" rsr="0.106" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="33.980" resname="HOH" resnum="2090" rscc="0.955" rsr="0.080" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="39.700" resname="HOH" resnum="2091" rscc="0.938" rsr="0.137" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="35.910" resname="HOH" resnum="2092" rscc="0.977" rsr="0.064" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="31.790" resname="HOH" resnum="2093" rscc="0.963" rsr="0.095" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="37.520" resname="HOH" resnum="2094" rscc="0.965" rsr="0.206" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="37.180" resname="HOH" resnum="2095" rscc="0.929" rsr="0.144" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="27.210" resname="HOH" resnum="2096" rscc="0.994" rsr="0.261" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="24.710" resname="HOH" resnum="2097" rscc="0.982" rsr="0.205" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="36.610" resname="HOH" resnum="2098" rscc="0.976" rsr="0.121" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="33.550" resname="HOH" resnum="2099" rscc="0.951" rsr="0.103" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="41.020" resname="HOH" resnum="2100" rscc="0.934" rsr="0.167" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="39.410" resname="HOH" resnum="2101" rscc="0.911" rsr="0.079" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="27.820" resname="HOH" resnum="2102" rscc="0.985" rsr="0.158" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="32.610" resname="HOH" resnum="2103" rscc="0.963" rsr="0.065" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="36.890" resname="HOH" resnum="2104" rscc="0.962" rsr="0.095" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="20.350" resname="HOH" resnum="2105" rscc="0.996" rsr="0.193" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="33.290" resname="HOH" resnum="2106" rscc="0.958" rsr="0.078" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="37.000" resname="HOH" resnum="2107" rscc="0.916" rsr="0.085" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="23.500" resname="HOH" resnum="2108" rscc="0.987" rsr="0.079" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="23.700" resname="HOH" resnum="2109" rscc="0.986" rsr="0.170" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="46.720" resname="HOH" resnum="2110" rscc="0.729" rsr="0.098" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="26.080" resname="HOH" resnum="2111" rscc="0.993" rsr="0.258" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="25.470" resname="HOH" resnum="2112" rscc="0.987" rsr="0.241" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="27.240" resname="HOH" resnum="2113" rscc="0.993" rsr="0.109" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="26.150" resname="HOH" resnum="2114" rscc="0.983" rsr="0.124" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="34.950" resname="HOH" resnum="2115" rscc="0.950" rsr="0.137" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="25.310" resname="HOH" resnum="2116" rscc="0.990" rsr="0.063" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="23.810" resname="HOH" resnum="2117" rscc="0.976" rsr="0.046" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="35.850" resname="HOH" resnum="2118" rscc="0.961" rsr="0.052" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="28.890" resname="HOH" resnum="2119" rscc="0.978" rsr="0.205" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="44.550" resname="HOH" resnum="2120" rscc="0.885" rsr="0.087" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="39.780" resname="HOH" resnum="2121" rscc="0.974" rsr="0.048" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="30.140" resname="HOH" resnum="2122" rscc="0.987" rsr="0.070" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="40.890" resname="HOH" resnum="2123" rscc="0.893" rsr="0.101" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="31.200" resname="HOH" resnum="2124" rscc="0.960" rsr="0.064" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="33.820" resname="HOH" resnum="2125" rscc="0.924" rsr="0.082" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="30.280" resname="HOH" resnum="2126" rscc="0.971" rsr="0.181" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="29.060" resname="HOH" resnum="2127" rscc="0.981" rsr="0.115" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="32.910" resname="HOH" resnum="2128" rscc="0.966" rsr="0.071" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="32.660" resname="HOH" resnum="2129" rscc="0.954" rsr="0.068" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="26.430" resname="HOH" resnum="2130" rscc="0.979" rsr="0.121" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="34.490" resname="HOH" resnum="2131" rscc="0.917" rsr="0.112" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="39.410" resname="HOH" resnum="2132" rscc="0.918" rsr="0.082" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="27.820" resname="HOH" resnum="2133" rscc="0.978" rsr="0.060" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="31.460" resname="HOH" resnum="2134" rscc="0.971" rsr="0.082" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="25.910" resname="HOH" resnum="2135" rscc="0.980" rsr="0.071" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="31.170" resname="HOH" resnum="2136" rscc="0.985" rsr="0.117" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="31.440" resname="HOH" resnum="2137" rscc="0.960" rsr="0.095" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="41.280" resname="HOH" resnum="2138" rscc="0.931" rsr="0.155" said="S" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="39.330" resname="HOH" resnum="2140" rscc="0.938" rsr="0.096" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="42.800" resname="HOH" resnum="2141" rscc="0.928" rsr="0.101" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="39.760" resname="HOH" resnum="2142" rscc="0.973" rsr="0.067" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="35.210" resname="HOH" resnum="2143" rscc="0.954" rsr="0.091" said="S" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="29.880" resname="HOH" resnum="2161" rscc="0.968" rsr="0.273" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="21.370" resname="HOH" resnum="2162" rscc="0.996" rsr="0.218" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="22.980" resname="HOH" resnum="2163" rscc="0.979" rsr="0.157" said="S" seq="."/>
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		<clash atom="O" cid="17" clashmag="0.48" dist="2.13"/>
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		<clash atom="O" cid="16" clashmag="0.49" dist="2.19"/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="40.530" resname="HOH" resnum="2350" rscc="0.885" rsr="0.108" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="27.190" resname="HOH" resnum="2351" rscc="0.988" rsr="0.044" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="39.840" resname="HOH" resnum="2352" rscc="0.972" rsr="0.047" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="32.450" resname="HOH" resnum="2353" rscc="0.983" rsr="0.067" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="19.880" resname="HOH" resnum="2354" rscc="0.991" rsr="0.136" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="19.770" resname="HOH" resnum="2355" rscc="0.995" rsr="0.172" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="36.480" resname="HOH" resnum="2356" rscc="0.918" rsr="0.137" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="32.420" resname="HOH" resnum="2357" rscc="0.974" rsr="0.123" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="24.620" resname="HOH" resnum="2358" rscc="0.996" rsr="0.091" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="19.580" resname="HOH" resnum="2359" rscc="0.993" rsr="0.187" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="30.580" resname="HOH" resnum="2360" rscc="0.968" rsr="0.114" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="33.680" resname="HOH" resnum="2361" rscc="0.877" rsr="0.254" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="34.260" resname="HOH" resnum="2362" rscc="0.951" rsr="0.107" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="39.810" resname="HOH" resnum="2363" rscc="0.949" rsr="0.265" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="36.890" resname="HOH" resnum="2364" rscc="0.757" rsr="0.204" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="17.050" resname="HOH" resnum="2365" rscc="0.997" rsr="0.156" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="32.880" resname="HOH" resnum="2366" rscc="0.985" rsr="0.151" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="36.390" resname="HOH" resnum="2367" rscc="0.894" rsr="0.132" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="37.060" resname="HOH" resnum="2368" rscc="0.968" rsr="0.220" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="24.760" resname="HOH" resnum="2369" rscc="0.992" rsr="0.071" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="42.150" resname="HOH" resnum="2370" rscc="0.887" rsr="0.106" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="29.540" resname="HOH" resnum="2371" rscc="0.966" rsr="0.177" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="33.320" resname="HOH" resnum="2372" rscc="0.928" rsr="0.085" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="44.350" resname="HOH" resnum="2373" rscc="0.848" rsr="0.112" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="38.660" resname="HOH" resnum="2374" rscc="0.931" rsr="0.092" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="23.040" resname="HOH" resnum="2375" rscc="0.990" rsr="0.129" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="27.440" resname="HOH" resnum="2376" rscc="0.978" rsr="0.178" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="32.590" resname="HOH" resnum="2377" rscc="0.967" rsr="0.057" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="36.920" resname="HOH" resnum="2378" rscc="0.968" rsr="0.114" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="26.320" resname="HOH" resnum="2379" rscc="0.979" rsr="0.115" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="36.350" resname="HOH" resnum="2380" rscc="0.891" rsr="0.119" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="34.240" resname="HOH" resnum="2381" rscc="0.976" rsr="0.045" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="46.570" resname="HOH" resnum="2382" rscc="0.925" rsr="0.081" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="41.010" resname="HOH" resnum="2383" rscc="0.966" rsr="0.154" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="39.690" resname="HOH" resnum="2384" rscc="0.953" rsr="0.117" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="24.520" resname="HOH" resnum="2385" rscc="0.982" rsr="0.212" said="S" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="7" icode=" " model="1" owab="33.770" resname="HOH" resnum="2386" rscc="0.988" rsr="0.144" said="S" seq="."/>
	<ModelledEntityInstance absolute_RSRZ_percentile="12.46" absolute_rama_percentile="49.47" absolute_sidechain_percentile="65.48" angles_rmsz="0.79" bonds_rmsz="0.51" chain="A" ent="1" model="1" num_angles_rmsz="6793" num_bonds_rmsz="4990" relative_RSRZ_percentile="10.93" relative_rama_percentile="26.82" relative_sidechain_percentile="43.55" said="A"/>
	<ModelledEntityInstance absolute_RSRZ_percentile="37.97" absolute_rama_percentile="100.00" absolute_sidechain_percentile="73.53" angles_rmsz="0.85" bonds_rmsz="0.59" chain="B" ent="1" model="1" num_angles_rmsz="6815" num_bonds_rmsz="5006" relative_RSRZ_percentile="35.52" relative_rama_percentile="100.00" relative_sidechain_percentile="56.42" said="B"/>
	<programs>
		<program name="dcc" properties="DCC_R,DCC_refinement_program,B_factor_type,DCC_Rfree" version="2.24  (2018-06-26)"/>
		<program name="eds" properties="rscc,owab,EDS_R,avgoccu,babinet_k,CCP4version,babinet_b,num-free-reflections,relative_RSRZ_percentile,rsrz,DataCompleteness,percent-RSRZ-outliers,bulk_solvent_b,RefmacVersion,bulk_solvent_k,percent-free-reflections,EDS_resolution,Fo_Fc_correlation,rsr,NatomsEDS,EDS_resolution_low,absolute_RSRZ_percentile" version="rb-20031633"/>
		<program name="mogul" properties="mogul_rmsz_numangles,mogul_angles_rmsz,mogul-torsion-outlier,mogul-angle-outlier,mogul-bond-outlier,mogul_bonds_rmsz,mogul-ignore,mogul-ring-outlier,mogul_rmsz_numbonds" version="1.8.0 (224370), CSD as540be (2019)"/>
		<program name="validation-pipeline" properties="PDB-revision-date,PDB-resolution,protein-DNA-RNA-entities,PDB-Rfree,PDB-R,percentilebins,PDB-resolution-low,pdbid,PDB-revision-number,attemptedValidationSteps,XMLcreationDate,PDB-deposition-date" version="rb-20031633"/>
		<program name="xtriage" properties="xtriage_input_columns,numMillerIndices,DataAnisotropy,TransNCS,centric_outliers,TwinL,acentric_outliers,WilsonBestimate,TwinL2,IoverSigma,WilsonBaniso" version="1.13"/>
		<program name="validation-pack" properties="chiral-outlier" version="unknown"/>
		<program name="molprobity" properties="relative_rama_percentile,clash,absolute_sidechain_percentile,angles_rmsz,absolute_rama_percentile,phi,psi,num-H-reduce,cis_peptide,relative_sidechain_percentile,clashscore,bonds_rmsz,percent-rama-outliers,percent-rota-outliers,flippable-sidechain,bond-outlier,angle-outlier,num_bonds_rmsz,ligand_chirality_outlier,RestypesNotcheckedForBondAngleGeometry,rota,num_angles_rmsz,rama" version="4.02b-467"/>
		<program name="percentiles" properties="numPDBids-absolute-percentile-percent-rota-outliers,high-resol-relative-percentile-percent-rota-outliers,absolute-percentile-percent-RSRZ-outliers,relative-percentile-percent-rama-outliers,absolute-percentile-percent-rama-outliers,absolute-percentile-clashscore,absolute-percentile-percent-rota-outliers,relative-percentile-clashscore,high-resol-relative-percentile-percent-rama-outliers,numPDBids-relative-percentile-percent-RSRZ-outliers,numPDBids-relative-percentile-DCC_Rfree,absolute-percentile-DCC_Rfree,relative-percentile-DCC_Rfree,relative-percentile-percent-RSRZ-outliers,low-resol-relative-percentile-percent-RSRZ-outliers,numPDBids-relative-percentile-percent-rama-outliers,numPDBids-relative-percentile-clashscore,high-resol-relative-percentile-clashscore,numPDBids-absolute-percentile-percent-RSRZ-outliers,low-resol-relative-percentile-clashscore,numPDBids-relative-percentile-percent-rota-outliers,low-resol-relative-percentile-percent-rama-outliers,low-resol-relative-percentile-percent-rota-outliers,numPDBids-absolute-percentile-clashscore,numPDBids-absolute-percentile-percent-rama-outliers,low-resol-relative-percentile-DCC_Rfree,high-resol-relative-percentile-percent-RSRZ-outliers,numPDBids-absolute-percentile-DCC_Rfree,relative-percentile-percent-rota-outliers,high-resol-relative-percentile-DCC_Rfree" version="20171227.v01 (using entries in the PDB archive December 27th 2017)"/>
	</programs>
</wwPDB-validation-information>
