<?xml version="1.0" ?>
<wwPDB-validation-information xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="http://www.wwpdb.org/validation/schema/wwpdb_validation_v1.xsd http://www.wwpdb.org/validation/schema/wwpdb_validation_v1.xsd">
	<Entry B_factor_type="FULL" CCP4version="6.3.0 (Settle)" DCC_R="0.19" DCC_Rfree="0.22" DCC_refinement_program="REFMAC" DataAnisotropy="0.033" DataCompleteness="99.53" EDS_R="0.19" EDS_resolution="1.45" EDS_resolution_low="40.77" Fo_Fc_correlation="0.956" IoverSigma="3.82(1.45A)" PDB-revision-number="1" RefmacVersion="5.8.0049" RestypesNotcheckedForBondAngleGeometry="JKE,ZN,MBO,SO4" TransNCS="The largest off-origin peak in the Patterson function is 7.52% of the height of the origin peak. No significant pseudotranslation is detected." TwinFraction="h,-k,-h-l:0.016" TwinL="0.519" TwinL2="0.358" WilsonBaniso="[10.191,10.339,10.007,0.000,-0.093,0.000]" WilsonBestimate="10.179" XMLcreationDate="Feb 28, 2014 -- 01:52 AM GMT" absolute-percentile-DCC_Rfree="72.3" absolute-percentile-clashscore="62.4" absolute-percentile-percent-RSRZ-outliers="82.7" absolute-percentile-percent-rama-outliers="100.0" absolute-percentile-percent-rota-outliers="87.2" acentric_outliers="0" angles_rmsz="1.17" attemptedValidationSteps="mogul,xtriage,molprobity,eds,percentiles,writexml,writepdf" bonds_rmsz="1.27" bulk_solvent_b="32.156" bulk_solvent_k="0.402" centric_outliers="1" clashscore="5.61" high-resol-relative-percentile-DCC_Rfree="1.42" high-resol-relative-percentile-clashscore="1.42" high-resol-relative-percentile-percent-RSRZ-outliers="1.42" high-resol-relative-percentile-percent-rama-outliers="1.42" high-resol-relative-percentile-percent-rota-outliers="1.42" low-resol-relative-percentile-DCC_Rfree="1.5" low-resol-relative-percentile-clashscore="1.5" low-resol-relative-percentile-percent-RSRZ-outliers="1.5" low-resol-relative-percentile-percent-rama-outliers="1.5" low-resol-relative-percentile-percent-rota-outliers="1.5" num-H-reduce="2014" num-free-reflections="2152" numMillerIndices="42731" numPDBids-absolute-percentile-DCC_Rfree="66092" numPDBids-absolute-percentile-clashscore="79885" numPDBids-absolute-percentile-percent-RSRZ-outliers="66119" numPDBids-absolute-percentile-percent-rama-outliers="78287" numPDBids-absolute-percentile-percent-rota-outliers="78261" numPDBids-relative-percentile-DCC_Rfree="2476" numPDBids-relative-percentile-clashscore="2834" numPDBids-relative-percentile-percent-RSRZ-outliers="2477" numPDBids-relative-percentile-percent-rama-outliers="2769" numPDBids-relative-percentile-percent-rota-outliers="2767" num_angles_rmsz="2870" num_bonds_rmsz="2116" pdbid="4E4A" percent-RSRZ-outliers="0.77" percent-free-reflections="5.30" percent-rama-outliers="0.00" percent-rota-outliers="0.90" relative-percentile-DCC_Rfree="33.1" relative-percentile-clashscore="38.4" relative-percentile-percent-RSRZ-outliers="88.3" relative-percentile-percent-rama-outliers="100.0" relative-percentile-percent-rota-outliers="67.5" resol-high-from-reflectionsfile="1.45" resol-low-from-reflectionsfile="40.77" xtriage_input_columns="F_meas_au,F_meas_sigma_au"/>
	<ModelledSubgroup NatomsEDS="10" altcode=" " avgoccu="1.000" chain="A" ent="1" flippable-sidechain="1" icode=" " model="1" num-H-reduce="6" owab="33.600" resname="HIS" resnum="4" rota="OUTLIER" rscc="0.724" rsr="0.163" rsrz="1.374" said="A" seq="4"/>
	<ModelledSubgroup NatomsEDS="14" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="10" owab="12.870" phi="-69.7" psi="158.2" rama="Favored" resname="TRP" resnum="5" rota="p-90" rscc="0.966" rsr="0.075" rsrz="0.005" said="A" seq="5"/>
	<ModelledSubgroup NatomsEDS="4" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="3" owab="9.910" phi="-168.5" psi="-146.3" rama="Favored" resname="GLY" resnum="6" rscc="0.989" rsr="0.060" rsrz="-0.373" said="A" seq="6"/>
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		<bond-outlier atom0="CD" atom1="OE2" mean="1.252" obs="1.315" stdev="0.011" z="5.75"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="10" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="7" owab="12.550" phi="-98.3" psi="-16.1" rama="Favored" resname="HIS" resnum="15" rota="m-70" rscc="0.947" rsr="0.085" rsrz="-0.052" said="A" seq="15"/>
	<ModelledSubgroup NatomsEDS="14" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="10" owab="7.920" phi="-59.6" psi="-29.3" rama="Favored" resname="TRP" resnum="16" rota="m0" rscc="0.958" rsr="0.078" rsrz="0.102" said="A" seq="16"/>
	<ModelledSubgroup NatomsEDS="10" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="7" owab="9.670" phi="-60.5" psi="-24.3" rama="Favored" resname="HIS" resnum="17" rota="p80" rscc="0.942" rsr="0.094" rsrz="0.113" said="A" seq="17"/>
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	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="7" owab="12.290" phi="-57.5" psi="-21.1" rama="Favored" resname="PRO" resnum="21" rota="Cg_endo" rscc="0.972" rsr="0.092" rsrz="0.173" said="A" seq="21"/>
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		<clash atom="HA" cid="19" clashmag="0.49" dist="1.93"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="11" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="13" owab="11.850" phi="-146.4" psi="59.4" rama="Allowed" resname="ARG" resnum="27" rota="ptm180" rscc="0.967" rsr="0.084" rsrz="-0.401" said="A" seq="27">
		<angle-outlier atom0="NE" atom1="CZ" atom2="NH1" mean="120.300" obs="125.149" stdev="0.500" z="9.70"/>
		<clash atom="HD3" cid="18" clashmag="0.52" dist="2.08"/>
		<bond-outlier atom0="CZ" atom1="NH2" mean="1.326" obs="1.235" stdev="0.013" z="-7.02"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="8" owab="6.780" phi="-87.5" psi="154.2" rama="Favored" resname="GLN" resnum="28" rota="mm-40" rscc="0.983" rsr="0.064" rsrz="-0.696" said="A" seq="28"/>
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		<angle-outlier atom0="CB" atom1="CG" atom2="OD1" mean="118.300" obs="123.615" stdev="0.900" z="5.91"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="7" owab="11.450" phi="-66.5" psi="-29.3" rama="Favored" resname="THR" resnum="35" rota="p" rscc="0.941" rsr="0.082" rsrz="-0.004" said="A" seq="35"/>
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	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="7" owab="23.430" phi="-61.7" psi="139.8" rama="Favored" resname="PRO" resnum="237" rota="Cg_exo" rscc="0.857" rsr="0.116" rsrz="0.663" said="A" seq="236"/>
	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="6" owab="20.690" phi="-68.3" psi="125.2" rama="Favored" resname="GLU" resnum="238" rota="tt0" rscc="0.935" rsr="0.089" rsrz="-0.447" said="A" seq="237"/>
	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="6" owab="16.730" phi="-127.6" psi="110.7" rama="Favored" resname="GLU" resnum="239" rota="tp10" rscc="0.941" rsr="0.101" rsrz="-0.267" said="A" seq="238"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="11" owab="11.140" phi="-61.4" psi="140.1" rama="Favored" resname="LEU" resnum="240" rota="mt" rscc="0.963" rsr="0.088" rsrz="0.054" said="A" seq="239"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="9" owab="8.590" phi="-79.9" psi="93.7" rama="Favored" resname="MET" resnum="241" rota="ttm" rscc="0.984" rsr="0.075" rsrz="-0.277" said="A" seq="240"/>
	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="9" owab="7.820" phi="-145.1" psi="155.2" rama="Favored" resname="VAL" resnum="242" rota="m" rscc="0.967" rsr="0.085" rsrz="0.027" said="A" seq="241"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="4" owab="7.860" phi="57.4" psi="48.0" rama="Favored" resname="ASP" resnum="243" rota="m-20" rscc="0.983" rsr="0.058" rsrz="-0.641" said="A" seq="242"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="6" owab="6.830" phi="-100.5" psi="50.0" rama="Allowed" resname="ASN" resnum="244" rota="p30" rscc="0.988" rsr="0.064" rsrz="-0.498" said="A" seq="243"/>
	<ModelledSubgroup NatomsEDS="14" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="10" owab="6.870" phi="-119.7" psi="139.0" rama="Favored" resname="TRP" resnum="245" rota="p-90" rscc="0.986" rsr="0.071" rsrz="-0.124" said="A" seq="244"/>
	<ModelledSubgroup NatomsEDS="11" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="13" owab="6.150" phi="-83.5" psi="134.6" rama="Favored" resname="ARG" resnum="246" rota="ttt180" rscc="0.979" rsr="0.072" rsrz="-0.600" said="A" seq="245">
		<angle-outlier atom0="NE" atom1="CZ" atom2="NH2" mean="120.300" obs="117.710" stdev="0.500" z="-5.18"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="7" owab="7.360" phi="-78.2" psi="168.3" rama="Favored" resname="PRO" resnum="247" rota="Cg_endo" rscc="0.971" rsr="0.072" rsrz="-0.235" said="A" seq="246"/>
	<ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="5" owab="7.460" phi="-60.1" psi="139.6" rama="Favored" resname="ALA" resnum="248" rscc="0.981" rsr="0.061" rsrz="-0.400" said="A" seq="247"/>
	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="8" owab="7.730" phi="-110.0" psi="165.2" rama="Favored" resname="GLN" resnum="249" rota="mm-40" rscc="0.966" rsr="0.065" rsrz="-0.679" said="A" seq="248"/>
	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="7" owab="9.380" phi="-60.5" psi="135.4" rama="Favored" resname="PRO" resnum="250" rota="Cg_exo" rscc="0.968" rsr="0.075" rsrz="-0.174" said="A" seq="249"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="11" owab="9.210" phi="-68.7" psi="-32.4" rama="Favored" resname="LEU" resnum="251" rota="tp" rscc="0.980" rsr="0.061" rsrz="-0.707" said="A" seq="250"/>
	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="13" owab="14.950" phi="57.3" psi="-137.1" rama="Allowed" resname="LYS" resnum="252" rota="mttt" rscc="0.935" rsr="0.105" rsrz="-0.242" said="A" seq="251">
		<clash atom="HD2" cid="19" clashmag="0.49" dist="1.93"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" flippable-sidechain="1" icode=" " model="1" num-H-reduce="6" owab="18.470" phi="-90.9" psi="57.6" rama="Favored" resname="ASN" resnum="253" rota="t-20" rscc="0.854" rsr="0.268" rsrz="3.138" said="A" seq="252"/>
	<ModelledSubgroup NatomsEDS="11" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="13" owab="8.170" phi="-131.3" psi="154.8" rama="Favored" resname="ARG" resnum="254" rota="mtm180" rscc="0.960" rsr="0.083" rsrz="-0.417" said="A" seq="253"/>
	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="8" owab="13.550" phi="-124.5" psi="136.9" rama="Favored" resname="GLN" resnum="255" rota="mt-30" rscc="0.926" rsr="0.126" rsrz="0.350" said="A" seq="254"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="11" owab="9.690" phi="-90.6" psi="123.9" rama="Favored" resname="ILE" resnum="256" rota="mt" rscc="0.970" rsr="0.077" rsrz="-0.279" said="A" seq="255"/>
	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="13" owab="11.350" phi="-104.6" psi="147.2" rama="Favored" resname="LYS" resnum="257" rota="mmtt" rscc="0.965" rsr="0.091" rsrz="-0.469" said="A" seq="256"/>
	<ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="5" owab="7.310" phi="-107.4" psi="146.2" rama="Favored" resname="ALA" resnum="258" rscc="0.978" rsr="0.056" rsrz="-0.509" said="A" seq="257"/>
	<ModelledSubgroup NatomsEDS="6" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="5" owab="8.990" phi="-89.8" psi="-5.4" rama="Favored" resname="SER" resnum="259" rota="p" rscc="0.979" rsr="0.064" rsrz="-0.444" said="A" seq="258"/>
	<ModelledSubgroup NatomsEDS="11" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="9" owab="13.950" phi="-132.0" psi="155.7" rama="Favored" resname="PHE" resnum="260" rota="p90" rscc="0.930" rsr="0.084" rsrz="0.164" said="A" seq="259"/>
	<ModelledSubgroup NatomsEDS="10" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="13" owab="28.880" resname="LYS" resnum="261" rota="mtmm" rscc="0.847" rsr="0.246" rsrz="2.040" said="A" seq="260"/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="2" icode=" " ligRSRZ="-5.50" ligRSRnbrMean="0.07" ligRSRnbrStdev="0.01" ligRSRnumnbrs="5" model="1" mogul-ignore="yes" owab="7.100" resname="ZN" resnum="301" rscc="0.999" rsr="0.031" rsrz="-0.402" said="B" seq="."/>
	<ModelledSubgroup NatomsEDS="10" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " ligRSRZ="10.66" ligRSRnbrMean="0.07" ligRSRnbrStdev="0.01" ligRSRnumnbrs="9" ligand_density_outlier="yes" model="1" mogul_angles_rmsz="1.11" mogul_bonds_rmsz="1.96" mogul_rmsz_numangles="13" mogul_rmsz_numbonds="10" num-H-reduce="5" owab="22.890" resname="JKE" resnum="302" rscc="0.870" rsr="0.177" rsrz="1.000" said="C" seq=".">
		<clash atom="SD" cid="15" clashmag="0.63" dist="2.57"/>
		<clash atom="OD1" cid="15" clashmag="0.63" dist="2.57"/>
		<clash atom="CE2" cid="14" clashmag="0.94" dist="2.16"/>
		<clash atom="CE2" cid="16" clashmag="0.48" dist="2.23"/>
		<clash atom="HE2" cid="13" clashmag="1.11" dist="1.50"/>
		<mog-bond-outlier Zscore="-2.58" atoms="OD2,CG" mean="1.30" mindiff="0.00" numobs="9400" obsval="1.22" stdev="0.03"/>
		<mog-bond-outlier Zscore="-5.01" atoms="CZ,CE1" mean="1.40" mindiff="0.03" numobs="16" obsval="1.36" stdev="0.01"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="10" altcode=" " avgoccu="0.800" chain="A" ent="4" icode=" " ligRSRZ="-0.06" ligRSRnbrMean="0.09" ligRSRnbrStdev="0.04" ligRSRnumnbrs="14" model="1" mogul_angles_rmsz="2.71" mogul_bonds_rmsz="0.94" mogul_rmsz_numangles="11" mogul_rmsz_numbonds="9" num-H-reduce="4" owab="14.240" resname="MBO" resnum="303" rscc="0.987" rsr="0.089" rsrz="0.052" said="D" seq=".">
		<clash atom="OZ2" cid="10" clashmag="0.51" dist="2.49"/>
		<clash atom="OZ1" cid="11" clashmag="0.49" dist="2.50"/>
		<clash atom="CZ" cid="8" clashmag="0.75" dist="2.54"/>
		<clash atom="CZ" cid="12" clashmag="0.47" dist="2.80"/>
		<clash atom="CE6" cid="2" clashmag="1.22" dist="2.06"/>
		<clash atom="CE4" cid="1" clashmag="1.23" dist="2.05"/>
		<clash atom="CE4" cid="3" clashmag="1.21" dist="2.07"/>
		<clash atom="CE5" cid="4" clashmag="1.07" dist="0.97"/>
		<clash atom="CE2" cid="0" clashmag="1.24" dist="2.03"/>
		<clash atom="CE3" cid="5" clashmag="1.06" dist="0.97"/>
		<clash atom="HE5" cid="1" clashmag="1.23" dist="2.05"/>
		<clash atom="HE5" cid="2" clashmag="1.22" dist="2.06"/>
		<clash atom="HE5" cid="4" clashmag="1.07" dist="0.97"/>
		<clash atom="HE5" cid="6" clashmag="0.81" dist="2.36"/>
		<clash atom="HE5" cid="8" clashmag="0.75" dist="2.54"/>
		<clash atom="HE5" cid="10" clashmag="0.51" dist="2.49"/>
		<clash atom="HE6" cid="6" clashmag="0.81" dist="2.36"/>
		<clash atom="HE6" cid="9" clashmag="0.65" dist="2.33"/>
		<clash atom="HE3" cid="0" clashmag="1.24" dist="2.03"/>
		<clash atom="HE3" cid="3" clashmag="1.21" dist="2.07"/>
		<clash atom="HE3" cid="5" clashmag="1.06" dist="0.97"/>
		<clash atom="HE3" cid="7" clashmag="0.81" dist="2.37"/>
		<clash atom="HE3" cid="11" clashmag="0.49" dist="2.50"/>
		<clash atom="HE3" cid="12" clashmag="0.47" dist="2.80"/>
		<clash atom="HE2" cid="7" clashmag="0.81" dist="2.37"/>
		<mog-angle-outlier Zscore="-3.00" atoms="CE3,CE2,CE1" mean="121.52" mindiff="0.89" numobs="45" obsval="115.49" stdev="2.01"/>
		<mog-angle-outlier Zscore="2.95" atoms="CE3,CE4,CZ" mean="120.44" mindiff="0.01" numobs="5121" obsval="125.86" stdev="1.84"/>
		<mog-angle-outlier Zscore="-3.88" atoms="CE5,CE4,CZ" mean="120.44" mindiff="0.06" numobs="5121" obsval="113.31" stdev="1.84"/>
		<mog-angle-outlier Zscore="-2.27" atoms="CE6,CE5,CE4" mean="120.76" mindiff="0.08" numobs="10000" obsval="118.05" stdev="1.19"/>
		<mog-angle-outlier Zscore="-4.44" atoms="OZ1,CZ,CE4" mean="121.25" mindiff="0.04" numobs="4935" obsval="109.33" stdev="2.68"/>
		<mog-angle-outlier Zscore="4.36" atoms="OZ2,CZ,CE4" mean="115.01" mindiff="0.09" numobs="4893" obsval="126.53" stdev="2.65"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="0.500" chain="A" ent="5" icode=" " ligRSRZ="11.39" ligRSRnbrMean="0.08" ligRSRnbrStdev="0.01" ligRSRnumnbrs="4" ligand_density_outlier="yes" model="1" mogul_angles_rmsz="1.70" mogul_bonds_rmsz="0.62" mogul_rmsz_numangles="6" mogul_rmsz_numbonds="4" owab="19.540" resname="SO4" resnum="304" rscc="0.859" rsr="0.201" rsrz="0.481" said="E" seq=".">
		<mog-angle-outlier Zscore="-2.03" atoms="O2,S,O1" mean="109.53" mindiff="0.06" numobs="1022" obsval="102.81" stdev="3.31"/>
		<mog-angle-outlier Zscore="2.26" atoms="O4,S,O1" mean="110.12" mindiff="0.01" numobs="4349" obsval="130.63" stdev="9.08"/>
		<mog-angle-outlier Zscore="-2.46" atoms="O4,S,O2" mean="110.12" mindiff="0.07" numobs="4349" obsval="87.80" stdev="9.08"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="12.860" resname="HOH" resnum="401" rscc="0.983" rsr="0.113" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="6.360" resname="HOH" resnum="402" rscc="0.990" rsr="0.076" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="17.820" resname="HOH" resnum="403" rscc="0.985" rsr="0.252" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="7.810" resname="HOH" resnum="404" rscc="0.993" rsr="0.063" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="6.940" resname="HOH" resnum="405" rscc="0.989" rsr="0.094" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="6.770" resname="HOH" resnum="406" rscc="0.988" rsr="0.079" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="8.000" resname="HOH" resnum="407" rscc="0.991" rsr="0.105" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="9.270" resname="HOH" resnum="408" rscc="0.988" rsr="0.095" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="9.540" resname="HOH" resnum="409" rscc="0.987" rsr="0.105" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="16.030" resname="HOH" resnum="410" rscc="0.973" rsr="0.134" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="16.520" resname="HOH" resnum="411" rscc="0.978" rsr="0.055" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="13.610" resname="HOH" resnum="412" rscc="0.970" rsr="0.074" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="9.040" resname="HOH" resnum="413" rscc="0.983" rsr="0.107" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="9.770" resname="HOH" resnum="414" rscc="0.985" rsr="0.055" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="19.560" resname="HOH" resnum="415" rscc="0.953" rsr="0.094" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="13.250" resname="HOH" resnum="416" rscc="0.984" rsr="0.068" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="9.720" resname="HOH" resnum="417" rscc="0.993" rsr="0.062" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="8.670" resname="HOH" resnum="418" rscc="0.994" rsr="0.059" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="10.190" resname="HOH" resnum="419" rscc="0.995" rsr="0.047" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="12.480" resname="HOH" resnum="420" rscc="0.983" rsr="0.056" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="14.250" resname="HOH" resnum="421" rscc="0.982" rsr="0.079" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="12.000" resname="HOH" resnum="422" rscc="0.987" rsr="0.070" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="7.930" resname="HOH" resnum="423" rscc="0.994" rsr="0.096" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="12.170" resname="HOH" resnum="424" rscc="0.983" rsr="0.073" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="20.860" resname="HOH" resnum="425" rscc="0.941" rsr="0.108" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="20.650" resname="HOH" resnum="426" rscc="0.948" rsr="0.142" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="19.570" resname="HOH" resnum="427" rscc="0.931" rsr="0.159" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="16.130" resname="HOH" resnum="428" rscc="0.952" rsr="0.068" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="19.320" resname="HOH" resnum="429" rscc="0.956" rsr="0.152" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="10.300" resname="HOH" resnum="430" rscc="0.980" rsr="0.098" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="10.030" resname="HOH" resnum="431" rscc="0.985" rsr="0.074" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="7.000" resname="HOH" resnum="432" rscc="0.996" rsr="0.068" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="10.480" resname="HOH" resnum="433" rscc="0.992" rsr="0.062" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="14.500" resname="HOH" resnum="434" rscc="0.976" rsr="0.093" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="11.260" resname="HOH" resnum="435" rscc="0.984" rsr="0.057" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="25.570" resname="HOH" resnum="436" rscc="0.928" rsr="0.126" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="16.860" resname="HOH" resnum="437" rscc="0.966" rsr="0.095" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="13.440" resname="HOH" resnum="438" rscc="0.961" rsr="0.082" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="15.030" resname="HOH" resnum="439" rscc="0.956" rsr="0.109" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="19.700" resname="HOH" resnum="440" rscc="0.967" rsr="0.088" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="17.000" resname="HOH" resnum="441" rscc="0.971" rsr="0.076" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="14.140" resname="HOH" resnum="442" rscc="0.980" rsr="0.056" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="26.820" resname="HOH" resnum="443" rscc="0.918" rsr="0.066" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="13.570" resname="HOH" resnum="444" rscc="0.988" rsr="0.063" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="8.010" resname="HOH" resnum="445" rscc="0.992" rsr="0.067" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="12.830" resname="HOH" resnum="446" rscc="0.961" rsr="0.084" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="14.310" resname="HOH" resnum="447" rscc="0.986" rsr="0.139" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="14.950" resname="HOH" resnum="448" rscc="0.950" rsr="0.129" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="19.920" resname="HOH" resnum="449" rscc="0.967" rsr="0.069" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="16.680" resname="HOH" resnum="450" rscc="0.984" rsr="0.094" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="12.650" resname="HOH" resnum="451" rscc="0.984" rsr="0.050" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="15.050" resname="HOH" resnum="452" rscc="0.976" rsr="0.079" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="17.810" resname="HOH" resnum="453" rscc="0.974" rsr="0.077" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="20.430" resname="HOH" resnum="454" rscc="0.945" rsr="0.075" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="17.410" resname="HOH" resnum="455" rscc="0.988" rsr="0.079" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="19.520" resname="HOH" resnum="456" rscc="0.893" rsr="0.089" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="17.650" resname="HOH" resnum="457" rscc="0.932" rsr="0.108" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="19.460" resname="HOH" resnum="458" rscc="0.902" rsr="0.097" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="32.220" resname="HOH" resnum="459" rscc="0.845" rsr="0.292" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="18.820" resname="HOH" resnum="460" rscc="0.972" rsr="0.072" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="31.860" resname="HOH" resnum="461" rscc="0.891" rsr="0.079" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="22.140" resname="HOH" resnum="462" rscc="0.870" rsr="0.109" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="24.920" resname="HOH" resnum="463" rscc="0.892" rsr="0.178" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="15.890" resname="HOH" resnum="464" rscc="0.984" rsr="0.110" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="19.250" resname="HOH" resnum="465" rscc="0.967" rsr="0.073" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="25.010" resname="HOH" resnum="466" rscc="0.957" rsr="0.067" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="16.740" resname="HOH" resnum="467" rscc="0.947" rsr="0.098" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="13.800" resname="HOH" resnum="468" rscc="0.968" rsr="0.065" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="17.010" resname="HOH" resnum="469" rscc="0.957" rsr="0.105" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="16.440" resname="HOH" resnum="470" rscc="0.946" rsr="0.084" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="18.360" resname="HOH" resnum="471" rscc="0.960" rsr="0.082" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="14.740" resname="HOH" resnum="472" rscc="0.979" rsr="0.110" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="21.760" resname="HOH" resnum="473" rscc="0.939" rsr="0.072" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="15.800" resname="HOH" resnum="474" rscc="0.951" rsr="0.098" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="19.570" resname="HOH" resnum="475" rscc="0.871" rsr="0.117" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="20.080" resname="HOH" resnum="476" rscc="0.944" rsr="0.070" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="15.140" resname="HOH" resnum="477" rscc="0.970" rsr="0.087" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="19.730" resname="HOH" resnum="478" rscc="0.925" rsr="0.107" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="14.600" resname="HOH" resnum="479" rscc="0.992" rsr="0.038" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="16.160" resname="HOH" resnum="480" rscc="0.958" rsr="0.103" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="20.100" resname="HOH" resnum="481" rscc="0.964" rsr="0.086" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="18.920" resname="HOH" resnum="482" rscc="0.895" rsr="0.119" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="15.460" resname="HOH" resnum="483" rscc="0.945" rsr="0.104" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="13.670" resname="HOH" resnum="484" rscc="0.982" rsr="0.134" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="17.880" resname="HOH" resnum="485" rscc="0.976" rsr="0.055" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="25.300" resname="HOH" resnum="486" rscc="0.938" rsr="0.111" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="19.080" resname="HOH" resnum="487" rscc="0.987" rsr="0.044" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="14.590" resname="HOH" resnum="488" rscc="0.980" rsr="0.106" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="23.450" resname="HOH" resnum="489" rscc="0.839" rsr="0.120" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="16.650" resname="HOH" resnum="490" rscc="0.945" rsr="0.083" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="14.270" resname="HOH" resnum="491" rscc="0.972" rsr="0.064" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="22.170" resname="HOH" resnum="492" rscc="0.881" rsr="0.164" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="15.020" resname="HOH" resnum="493" rscc="0.922" rsr="0.103" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="18.610" resname="HOH" resnum="494" rscc="0.968" rsr="0.112" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="16.480" resname="HOH" resnum="495" rscc="0.980" rsr="0.078" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="17.310" resname="HOH" resnum="496" rscc="0.978" rsr="0.240" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="24.620" resname="HOH" resnum="497" rscc="0.815" rsr="0.137" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="34.740" resname="HOH" resnum="498" rscc="0.900" rsr="0.162" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="23.280" resname="HOH" resnum="499" rscc="0.919" rsr="0.080" said="F" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="23.390" resname="HOH" resnum="502" rscc="0.964" rsr="0.074" said="F" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="19.210" resname="HOH" resnum="522" rscc="0.952" rsr="0.092" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="16.510" resname="HOH" resnum="523" rscc="0.925" rsr="0.107" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="22.210" resname="HOH" resnum="524" rscc="0.929" rsr="0.092" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="14.120" resname="HOH" resnum="525" rscc="0.982" rsr="0.086" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="18.530" resname="HOH" resnum="526" rscc="0.958" rsr="0.092" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="23.110" resname="HOH" resnum="527" rscc="0.912" rsr="0.090" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="21.760" resname="HOH" resnum="528" rscc="0.943" rsr="0.092" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="21.910" resname="HOH" resnum="529" rscc="0.886" rsr="0.126" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="15.250" resname="HOH" resnum="530" rscc="0.959" rsr="0.162" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="24.200" resname="HOH" resnum="531" rscc="0.967" rsr="0.091" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="19.190" resname="HOH" resnum="532" rscc="0.910" rsr="0.128" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="28.640" resname="HOH" resnum="533" rscc="0.788" rsr="0.225" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="23.120" resname="HOH" resnum="534" rscc="0.946" rsr="0.098" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="20.150" resname="HOH" resnum="535" rscc="0.944" rsr="0.102" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="18.290" resname="HOH" resnum="536" rscc="0.949" rsr="0.131" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="19.800" resname="HOH" resnum="537" rscc="0.970" rsr="0.063" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="19.090" resname="HOH" resnum="538" rscc="0.975" rsr="0.066" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="19.230" resname="HOH" resnum="539" rscc="0.961" rsr="0.099" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="17.550" resname="HOH" resnum="540" rscc="0.971" rsr="0.110" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="22.520" resname="HOH" resnum="541" rscc="0.967" rsr="0.193" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="20.630" resname="HOH" resnum="542" rscc="0.947" rsr="0.082" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="20.240" resname="HOH" resnum="543" rscc="0.917" rsr="0.097" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="16.410" resname="HOH" resnum="544" rscc="0.930" rsr="0.088" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="20.210" resname="HOH" resnum="545" rscc="0.964" rsr="0.108" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="21.200" resname="HOH" resnum="546" rscc="0.901" rsr="0.139" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="20.660" resname="HOH" resnum="547" rscc="0.907" rsr="0.112" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="19.380" resname="HOH" resnum="548" rscc="0.929" rsr="0.088" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="22.570" resname="HOH" resnum="549" rscc="0.906" rsr="0.099" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="24.590" resname="HOH" resnum="550" rscc="0.863" rsr="0.133" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="22.340" resname="HOH" resnum="551" rscc="0.937" rsr="0.119" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="16.260" resname="HOH" resnum="552" rscc="0.963" rsr="0.118" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="23.340" resname="HOH" resnum="553" rscc="0.932" rsr="0.133" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="19.900" resname="HOH" resnum="554" rscc="0.908" rsr="0.106" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="22.820" resname="HOH" resnum="555" rscc="0.881" rsr="0.116" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="20.950" resname="HOH" resnum="556" rscc="0.906" rsr="0.164" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="25.880" resname="HOH" resnum="557" rscc="0.967" rsr="0.138" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="20.330" resname="HOH" resnum="558" rscc="0.971" rsr="0.111" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="26.130" resname="HOH" resnum="559" rscc="0.726" rsr="0.144" said="F" seq=".">
		<clash atom="O" cid="17" clashmag="0.82" dist="1.96"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="24.460" resname="HOH" resnum="560" rscc="0.882" rsr="0.159" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="25.780" resname="HOH" resnum="561" rscc="0.932" rsr="0.140" said="F" seq=".">
		<clash atom="O" cid="18" clashmag="0.52" dist="2.08"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="20.920" resname="HOH" resnum="562" rscc="0.735" rsr="0.199" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="22.680" resname="HOH" resnum="563" rscc="0.933" rsr="0.126" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="26.070" resname="HOH" resnum="564" rscc="0.841" rsr="0.146" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="24.270" resname="HOH" resnum="565" rscc="0.952" rsr="0.128" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="19.040" resname="HOH" resnum="566" rscc="0.938" rsr="0.085" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="25.460" resname="HOH" resnum="567" rscc="0.829" rsr="0.161" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="26.750" resname="HOH" resnum="568" rscc="0.974" rsr="0.110" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="15.390" resname="HOH" resnum="569" rscc="0.970" rsr="0.314" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="22.590" resname="HOH" resnum="570" rscc="0.927" rsr="0.130" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="25.040" resname="HOH" resnum="571" rscc="0.928" rsr="0.091" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="27.370" resname="HOH" resnum="572" rscc="0.869" rsr="0.108" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="25.820" resname="HOH" resnum="573" rscc="0.814" rsr="0.094" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="22.710" resname="HOH" resnum="574" rscc="0.918" rsr="0.176" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="28.080" resname="HOH" resnum="575" rscc="0.948" rsr="0.089" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="26.310" resname="HOH" resnum="576" rscc="0.909" rsr="0.133" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="19.270" resname="HOH" resnum="577" rscc="0.830" rsr="0.107" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="19.530" resname="HOH" resnum="578" rscc="0.973" rsr="0.265" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="22.820" resname="HOH" resnum="579" rscc="0.845" rsr="0.179" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="28.330" resname="HOH" resnum="580" rscc="0.772" rsr="0.127" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="20.660" resname="HOH" resnum="581" rscc="0.915" rsr="0.168" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="22.090" resname="HOH" resnum="582" rscc="0.985" rsr="0.054" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="25.500" resname="HOH" resnum="583" rscc="0.886" rsr="0.098" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="25.260" resname="HOH" resnum="584" rscc="0.886" rsr="0.116" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="29.840" resname="HOH" resnum="585" rscc="0.871" rsr="0.138" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="28.240" resname="HOH" resnum="586" rscc="0.856" rsr="0.133" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="26.520" resname="HOH" resnum="587" rscc="0.877" rsr="0.123" said="F" seq="."/>
	<ModelledEntityInstance absolute_RSRZ_percentile="82.72" absolute_rama_percentile="100.00" absolute_sidechain_percentile="87.25" angles_rmsz="1.17" bonds_rmsz="1.27" chain="A" ent="1" model="1" num_angles_rmsz="2870" num_bonds_rmsz="2116" relative_RSRZ_percentile="88.25" relative_rama_percentile="100.00" relative_sidechain_percentile="67.55" said="A"/>
	<programs>
		<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="21963"/>
		<program name="validation-pipeline" properties="resol-high-from-reflectionsfile,pdbid,PDB-revision-number,attemptedValidationSteps,XMLcreationDate,resol-low-from-reflectionsfile" version="stable22683"/>
		<program name="dcc" properties="DCC_refinement_program,num-free-reflections,DCC_R,B_factor_type,percent-free-reflections,DCC_Rfree" version="2.03"/>
		<program name="xtriage" properties="xtriage_input_columns,numMillerIndices,TwinFraction,DataAnisotropy,TransNCS,centric_outliers,TwinL,acentric_outliers,WilsonBestimate,TwinL2,IoverSigma,WilsonBaniso" version="dev-1323"/>
		<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="1.15 2013"/>
		<program name="eds" properties="rscc,ligRSRZ,owab,EDS_R,ligRSRnumnbrs,avgoccu,EDS_resolution_low,ligRSRnbrStdev,relative_RSRZ_percentile,rsrz,DataCompleteness,percent-RSRZ-outliers,bulk_solvent_b,RefmacVersion,bulk_solvent_k,CCP4version,EDS_resolution,Fo_Fc_correlation,rsr,ligand_density_outlier,NatomsEDS,absolute_RSRZ_percentile,ligRSRnbrMean" version="stable22639"/>
		<program name="molprobity" properties="bond-outlier,relative_rama_percentile,phi,psi,RestypesNotcheckedForBondAngleGeometry,clash,angle-outlier,percent-rota-outliers,num_bonds_rmsz,absolute_sidechain_percentile,relative_sidechain_percentile,clashscore,bonds_rmsz,percent-rama-outliers,num-H-reduce,rota,num_angles_rmsz,angles_rmsz,absolute_rama_percentile,rama,flippable-sidechain" version="4.02b-467"/>
	</programs>
</wwPDB-validation-information>
