<?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="FULL" CCP4version="7.0 (Gargrove)" DCC_R="0.20" DCC_Rfree="0.25" DCC_refinement_program="REFMAC" DataAnisotropy="0.061" DataCompleteness="98.75" EDS_R="0.20" EDS_resolution="2.20" EDS_resolution_low="28.90" Fo_Fc_correlation="0.932" IoverSigma="2.15(2.20A)" PDB-R="0.19" PDB-Rfree="0.25" PDB-deposition-date="2017-01-14" PDB-resolution="2.20" PDB-resolution-low="50.00" PDB-revision-date="2018-01-03" PDB-revision-number="3" RefmacVersion="5.8.0158" RestypesNotcheckedForBondAngleGeometry="TYD,NA,FON,CL" TransNCS="The largest off-origin peak in the Patterson function is 5.51% of the height of the origin peak. No significant pseudotranslation is detected." TwinL="0.479" TwinL2="0.310" WilsonBaniso="[18.974,17.947,17.863,0.000,-0.432,0.000]" WilsonBestimate="18.262" XMLcreationDate="Mar  8, 2018 -- 11:07 pm GMT" absolute-percentile-DCC_Rfree="37.9" absolute-percentile-clashscore="83.5" absolute-percentile-percent-RSRZ-outliers="83.8" absolute-percentile-percent-rama-outliers="100.0" absolute-percentile-percent-rota-outliers="21.0" acentric_outliers="1" angles_rmsz="0.93" attemptedValidationSteps="mogul,molprobity,validation-pack,xtriage,eds,percentiles,writexml" babinet_b="84.843" babinet_k="0.329" bonds_rmsz="0.57" bulk_solvent_b="49.606" bulk_solvent_k="0.374" centric_outliers="1" clashscore="2.58" high-resol-relative-percentile-DCC_Rfree="2.2" high-resol-relative-percentile-clashscore="2.2" high-resol-relative-percentile-percent-RSRZ-outliers="2.2" high-resol-relative-percentile-percent-rama-outliers="2.2" high-resol-relative-percentile-percent-rota-outliers="2.2" low-resol-relative-percentile-DCC_Rfree="2.2" low-resol-relative-percentile-clashscore="2.2" low-resol-relative-percentile-percent-RSRZ-outliers="2.2" low-resol-relative-percentile-percent-rama-outliers="2.2" low-resol-relative-percentile-percent-rota-outliers="2.2" num-H-reduce="6594" num-free-reflections="2321" numMillerIndices="45956" 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="4343" numPDBids-relative-percentile-clashscore="5027" numPDBids-relative-percentile-percent-RSRZ-outliers="4245" numPDBids-relative-percentile-percent-rama-outliers="4952" numPDBids-relative-percentile-percent-rota-outliers="4953" num_angles_rmsz="8896" num_bonds_rmsz="6596" pdbid="5UIN" percent-RSRZ-outliers="0.88" percent-free-reflections="5.05" percent-rama-outliers="0.00" percent-rota-outliers="6.03" percentilebins="all,2.2,xray" protein-DNA-RNA-entities="1" relative-percentile-DCC_Rfree="46.3" relative-percentile-clashscore="88.2" relative-percentile-percent-RSRZ-outliers="82.8" relative-percentile-percent-rama-outliers="100.0" relative-percentile-percent-rota-outliers="24.2" xtriage_input_columns="F_meas_au,F_meas_sigma_au"/>
	<ModelledSubgroup NatomsEDS="4" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="3" owab="33.060" resname="HIS" resnum="0" rscc="0.853" rsr="0.219" rsrz="1.342" said="A" seq="7"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="9" owab="34.720" phi="-81.7" psi="157.1" rama="Favored" resname="MET" resnum="1" rota="mtt" rscc="0.960" rsr="0.152" rsrz="0.305" said="A" seq="8"/>
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		<clash atom="NE2" cid="19" clashmag="0.44" dist="2.50"/>
	</ModelledSubgroup>
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		<clash atom="OH" cid="19" clashmag="0.44" dist="2.50"/>
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		<mog-angle-outlier Zscore="2.42" atoms="O2A,PA,O1A" mean="112.14" mindiff="0.04" numobs="102" obsval="124.42" stdev="5.08"/>
		<mog-angle-outlier Zscore="-3.44" atoms="PA,O3A,PB" mean="132.63" mindiff="6.56" numobs="24" obsval="121.07" stdev="3.36"/>
		<mog-angle-outlier Zscore="-2.12" atoms="O3A,PB,O1B" mean="111.48" mindiff="3.68" numobs="27" obsval="98.70" stdev="6.03"/>
		<mog-angle-outlier Zscore="-2.03" atoms="O5',C5',C4'" mean="109.00" mindiff="0.08" numobs="456" obsval="101.95" stdev="3.48"/>
		<mog-angle-outlier Zscore="-2.47" atoms="C2',C1',N1" mean="115.61" mindiff="0.29" numobs="31" obsval="112.59" stdev="1.22"/>
		<mog-angle-outlier Zscore="-3.30" atoms="O2,C2,N1" mean="123.12" mindiff="0.07" numobs="81" obsval="119.05" stdev="1.23"/>
		<mog-angle-outlier Zscore="3.38" atoms="N3,C2,N1" mean="116.73" mindiff="1.69" numobs="58" obsval="120.07" stdev="0.99"/>
		<mog-angle-outlier Zscore="-3.37" atoms="C4,N3,C2" mean="126.86" mindiff="1.38" numobs="30" obsval="122.75" stdev="1.22"/>
		<mog-angle-outlier Zscore="2.29" atoms="C6,C5,C4" mean="111.53" mindiff="0.48" numobs="29" obsval="118.11" stdev="2.87"/>
		<mog-angle-outlier Zscore="3.92" atoms="C5M,C5,C6" mean="112.41" mindiff="1.98" numobs="24" obsval="120.86" stdev="2.15"/>
		<clash atom="O1B" cid="6" clashmag="0.54" dist="2.25"/>
		<mog-bond-outlier Zscore="3.80" atoms="C2,N1" mean="1.35" mindiff="0.02" numobs="81" obsval="1.41" stdev="0.01"/>
		<mog-bond-outlier Zscore="-9.16" atoms="C6,N1" mean="1.46" mindiff="0.08" numobs="347" obsval="1.34" stdev="0.01"/>
		<mog-bond-outlier Zscore="-2.12" atoms="C2,N3" mean="1.38" mindiff="0.00" numobs="2283" obsval="1.34" stdev="0.02"/>
		<mog-bond-outlier Zscore="-2.04" atoms="C4,N3" mean="1.37" mindiff="0.00" numobs="276" obsval="1.33" stdev="0.02"/>
		<mog-bond-outlier Zscore="-4.11" atoms="C6,C5" mean="1.51" mindiff="0.04" numobs="24" obsval="1.38" stdev="0.03"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" mogul-ignore="yes" owab="22.300" resname="CL" resnum="402" rscc="0.990" rsr="0.049" said="D" seq="."/>
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		<mog-angle-outlier Zscore="-2.63" atoms="N3,C2,N1" mean="125.43" mindiff="0.12" numobs="2001" obsval="121.25" stdev="1.59"/>
		<mog-angle-outlier Zscore="3.89" atoms="C4,N3,C2" mean="116.06" mindiff="0.28" numobs="91" obsval="121.65" stdev="1.44"/>
		<mog-angle-outlier Zscore="-2.73" atoms="C4A,C4,N3" mean="123.34" mindiff="0.05" numobs="91" obsval="119.08" stdev="1.56"/>
		<mog-angle-outlier Zscore="2.65" atoms="C4,C4A,C8A" mean="114.43" mindiff="0.42" numobs="49" obsval="116.54" stdev="0.80"/>
		<clash atom="HCP1" cid="26" clashmag="0.42" dist="2.19"/>
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		<clash atom="HN1" cid="2" clashmag="0.74" dist="1.34"/>
		<mog-bond-outlier Zscore="4.74" atoms="O4,C4" mean="1.24" mindiff="0.06" numobs="47" obsval="1.36" stdev="0.03"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="5" icode=" " model="1" mogul-ignore="yes" owab="31.520" resname="NA" resnum="404" rscc="0.897" rsr="0.068" said="F" seq="."/>
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		<clash atom="O" cid="0" clashmag="0.85" dist="2.01"/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="17.670" resname="HOH" resnum="553" rscc="0.966" rsr="0.093" said="N" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="27.750" resname="HOH" resnum="554" rscc="0.716" rsr="0.215" said="N" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="17.330" resname="HOH" resnum="555" rscc="0.948" rsr="0.154" said="N" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="12.660" resname="HOH" resnum="556" rscc="0.965" rsr="0.076" said="N" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="21.240" resname="HOH" resnum="566" rscc="0.831" rsr="0.158" said="N" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="6" icode=" " model="1" owab="15.750" resname="HOH" resnum="567" rscc="0.960" rsr="0.119" said="N" seq="."/>
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		<clash atom="O" cid="7" clashmag="0.54" dist="2.07"/>
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	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="6" owab="17.530" phi="74.7" psi="-175.9" rama="Allowed" resname="ASN" resnum="9" rota="m-20" rscc="0.964" rsr="0.093" rsrz="-0.767" said="B" seq="16"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="4" owab="22.240" phi="-58.7" psi="-35.3" rama="Favored" resname="ASP" resnum="10" rota="OUTLIER" rscc="0.967" rsr="0.098" rsrz="-0.713" said="B" seq="17">
		<angle-outlier atom0="CB" atom1="CG" atom2="OD1" mean="118.300" obs="123.408" stdev="0.900" z="5.67"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="11" owab="16.730" phi="-63.4" psi="-41.5" rama="Favored" resname="ILE" resnum="11" rota="tt" rscc="0.961" rsr="0.116" rsrz="-0.547" said="B" seq="18"/>
	<ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="5" owab="14.470" phi="-64.5" psi="-44.2" rama="Favored" resname="ALA" resnum="12" rscc="0.974" rsr="0.082" rsrz="-0.863" said="B" seq="19"/>
	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="9" owab="14.920" phi="-58.2" psi="-47.2" rama="Favored" resname="VAL" resnum="13" rota="t" rscc="0.962" rsr="0.086" rsrz="-1.011" said="B" seq="20"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="6" owab="18.070" phi="-67.2" psi="-45.5" rama="Favored" resname="ASN" resnum="14" rota="m-20" rscc="0.962" rsr="0.099" rsrz="-0.674" said="B" seq="21"/>
	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="9" owab="15.380" phi="-63.6" psi="-44.8" rama="Favored" resname="VAL" resnum="15" rota="t" rscc="0.962" rsr="0.111" rsrz="-0.541" said="B" seq="22"/>
	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="7" owab="18.660" phi="-60.0" psi="-54.1" rama="Favored" resname="THR" resnum="16" rota="m" rscc="0.943" rsr="0.094" rsrz="-0.703" said="B" seq="23"/>
	<ModelledSubgroup NatomsEDS="11" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="13" owab="28.300" phi="-46.7" psi="-51.1" rama="Favored" resname="ARG" resnum="17" rota="mtm105" rscc="0.918" rsr="0.138" rsrz="-0.353" said="B" seq="24">
		<clash atom="HG2" cid="27" clashmag="0.42" dist="2.20"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="14" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="10" owab="22.050" phi="-59.6" psi="-43.6" rama="Favored" resname="TRP" resnum="18" rota="t90" rscc="0.960" rsr="0.099" rsrz="-0.616" said="B" seq="25"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="11" owab="19.450" phi="-61.2" psi="-44.7" rama="Favored" resname="LEU" resnum="19" rota="mt" rscc="0.937" rsr="0.119" rsrz="-0.495" said="B" seq="26"/>
	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="8" owab="29.580" phi="-61.7" psi="-31.1" rama="Favored" resname="GLN" resnum="20" rota="mt-30" rscc="0.922" rsr="0.149" rsrz="-0.118" said="B" seq="27"/>
	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="13" owab="47.140" phi="-80.7" psi="-55.0" rama="Favored" resname="LYS" resnum="21" rota="ttmm" rscc="0.898" rsr="0.255" rsrz="1.041" said="B" seq="28"/>
	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="13" owab="43.600" phi="-92.8" psi="-5.7" rama="Favored" resname="LYS" resnum="22" rota="mmtm" rscc="0.937" rsr="0.229" rsrz="0.694" said="B" seq="29"/>
	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="13" owab="38.910" phi="-148.8" psi="57.4" rama="Allowed" resname="LYS" resnum="23" rota="mmtm" rscc="0.939" rsr="0.149" rsrz="-0.374" said="B" seq="30">
		<clash atom="HB3" cid="10" clashmag="0.49" dist="1.93"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="13" owab="44.570" phi="-66.4" psi="-16.1" rama="Favored" resname="LYS" resnum="24" rota="ptmt" rscc="0.826" rsr="0.290" rsrz="1.509" said="B" seq="31"/>
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	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="11" owab="35.180" phi="-76.8" psi="134.3" rama="Favored" resname="ILE" resnum="26" rota="mm" rscc="0.902" rsr="0.209" rsrz="1.188" said="B" seq="33">
		<clash atom="HG12" cid="10" clashmag="0.49" dist="1.93"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="6" owab="31.410" phi="-86.8" psi="134.9" rama="Favored" resname="GLU" resnum="27" rota="mt-10" rscc="0.899" rsr="0.177" rsrz="0.091" said="B" seq="34"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="11" owab="19.690" phi="-117.9" psi="134.0" rama="Favored" resname="ILE" resnum="28" rota="mt" rscc="0.970" rsr="0.090" rsrz="-1.032" said="B" seq="35"/>
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	<ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="5" owab="15.890" phi="-120.8" psi="152.8" rama="Favored" resname="ALA" resnum="30" rscc="0.973" rsr="0.072" rsrz="-1.041" said="B" seq="37"/>
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	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="6" owab="22.040" phi="-71.7" psi="145.9" rama="Favored" resname="ASN" resnum="33" rota="m-20" rscc="0.937" rsr="0.096" rsrz="-0.721" said="B" seq="40"/>
	<ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="5" owab="25.880" phi="-55.6" psi="-42.0" rama="Favored" resname="ALA" resnum="34" rscc="0.980" rsr="0.123" rsrz="-0.133" said="B" seq="41"/>
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	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="4" owab="22.920" phi="-70.7" psi="119.8" rama="Favored" resname="ASP" resnum="36" rota="t0" rscc="0.941" rsr="0.109" rsrz="-0.549" said="B" seq="43"/>
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	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="11" owab="23.420" phi="-120.1" psi="128.7" rama="Favored" resname="ILE" resnum="39" rota="mt" rscc="0.959" rsr="0.089" rsrz="-1.050" said="B" seq="46"/>
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		<clash atom="CE1" cid="22" clashmag="0.43" dist="2.54"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="8" owab="28.870" phi="-107.2" psi="141.2" rama="Favored" resname="GLN" resnum="43" rota="mt-30" rscc="0.955" rsr="0.112" rsrz="-0.653" said="B" seq="50">
		<clash atom="HG3" cid="22" clashmag="0.43" dist="2.54"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="11" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="13" owab="24.870" phi="-68.6" psi="146.9" rama="Favored" resname="ARG" resnum="44" rota="mmm-85" rscc="0.924" rsr="0.128" rsrz="-0.497" said="B" seq="51">
		<angle-outlier atom0="NE" atom1="CZ" atom2="NH2" mean="120.300" obs="122.855" stdev="0.500" z="5.11"/>
		<angle-outlier atom0="CG" atom1="CD" atom2="NE" mean="111.800" obs="123.212" stdev="2.100" z="5.43"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="6" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="5" owab="17.710" phi="-81.4" psi="119.5" rama="Favored" resname="SER" resnum="45" rota="t" rscc="0.980" rsr="0.082" rsrz="-0.873" said="B" seq="52"/>
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	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="13" owab="21.490" phi="-58.5" psi="-46.5" rama="Favored" resname="LYS" resnum="48" rota="tttt" rscc="0.973" rsr="0.099" rsrz="-1.041" said="B" seq="55"/>
	<ModelledSubgroup NatomsEDS="12" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="9" owab="22.190" phi="-61.8" psi="-44.5" rama="Favored" resname="TYR" resnum="49" rota="t80" rscc="0.927" rsr="0.139" rsrz="0.117" said="B" seq="56">
		<clash atom="OH" cid="27" clashmag="0.42" dist="2.20"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="6" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="5" owab="17.470" phi="-60.1" psi="-46.4" rama="Favored" resname="CYS" resnum="50" rota="m" rscc="0.951" rsr="0.099" rsrz="-0.415" said="B" seq="57"/>
	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="13" owab="20.190" phi="-64.4" psi="-35.5" rama="Favored" resname="LYS" resnum="51" rota="mttt" rscc="0.936" rsr="0.131" rsrz="-0.614" said="B" seq="58"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="4" owab="20.800" phi="-76.0" psi="-26.1" rama="Favored" resname="ASP" resnum="52" rota="m-20" rscc="0.980" rsr="0.136" rsrz="-0.146" said="B" seq="59"/>
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	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="11" owab="23.320" phi="58.7" psi="38.0" rama="Favored" resname="LEU" resnum="54" rota="mt" rscc="0.920" rsr="0.211" rsrz="1.199" said="B" seq="61"/>
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	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="11" owab="17.220" phi="-104.5" psi="121.6" rama="Favored" resname="ILE" resnum="57" rota="mt" rscc="0.960" rsr="0.096" rsrz="-0.920" said="B" seq="64"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="11" owab="16.280" phi="-125.7" psi="175.4" rama="Favored" resname="ILE" resnum="58" rota="pt" rscc="0.952" rsr="0.097" rsrz="-0.901" said="B" seq="65"/>
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	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="11" owab="14.320" phi="-48.1" psi="-46.0" rama="Favored" resname="LEU" resnum="60" rota="tp" rscc="0.947" rsr="0.126" rsrz="-0.366" said="B" seq="67"/>
	<ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="5" owab="15.550" phi="-56.4" psi="-43.0" rama="Favored" resname="ALA" resnum="61" rscc="0.953" rsr="0.090" rsrz="-0.721" said="B" seq="68"/>
	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="6" owab="15.350" phi="-66.8" psi="-41.9" rama="Favored" resname="GLU" resnum="62" rota="mt-10" rscc="0.966" rsr="0.097" rsrz="-0.967" said="B" seq="69"/>
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		<clash atom="H" cid="3" clashmag="0.65" dist="1.44"/>
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		<clash atom="HG3" cid="8" clashmag="0.53" dist="1.89"/>
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	<ModelledSubgroup NatomsEDS="6" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="5" owab="13.770" phi="-141.5" psi="158.8" rama="Favored" resname="SER" resnum="186" rota="p" rscc="0.963" rsr="0.126" rsrz="-0.145" said="B" seq="193"/>
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	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="11" owab="23.190" phi="-66.4" psi="142.6" rama="Favored" resname="LEU" resnum="200" rota="mt" rscc="0.911" rsr="0.132" rsrz="-0.256" said="B" seq="207"/>
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	<ModelledSubgroup NatomsEDS="6" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="5" owab="16.320" phi="-80.2" psi="60.7" rama="Favored" resname="SER" resnum="203" rota="m" rscc="0.982" rsr="0.065" rsrz="-1.154" said="B" seq="210"/>
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		<clash atom="HD12" cid="14" clashmag="0.46" dist="1.98"/>
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		<angle-outlier atom0="NE" atom1="CZ" atom2="NH2" mean="120.300" obs="125.171" stdev="0.500" z="9.74"/>
	</ModelledSubgroup>
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	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="7" owab="15.070" phi="-97.5" psi="93.3" rama="Favored" resname="THR" resnum="217" rota="m" rscc="0.960" rsr="0.120" rsrz="-0.246" said="B" seq="224"/>
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	<ModelledSubgroup NatomsEDS="12" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="9" owab="20.820" phi="-97.8" psi="-59.5" rama="Allowed" resname="TYR" resnum="221" rota="m-85" rscc="0.968" rsr="0.092" rsrz="-0.801" said="B" seq="228"/>
	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="8" owab="13.940" phi="-166.3" psi="165.2" rama="Favored" resname="GLN" resnum="222" rota="pm0" rscc="0.959" rsr="0.103" rsrz="-0.783" said="B" seq="229"/>
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	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="13" owab="31.620" phi="-127.8" psi="138.9" rama="Favored" resname="LYS" resnum="225" rota="mttp" rscc="0.928" rsr="0.190" rsrz="0.174" said="B" seq="232"/>
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	<ModelledSubgroup NatomsEDS="4" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="3" owab="40.950" phi="61.6" psi="2.1" rama="Favored" resname="GLY" resnum="228" rscc="0.944" rsr="0.217" rsrz="1.423" said="B" seq="235"/>
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	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="9" owab="22.380" phi="-90.7" psi="135.7" rama="Favored" resname="VAL" resnum="236" rota="t" rscc="0.963" rsr="0.112" rsrz="-0.523" said="B" seq="243">
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	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="11" owab="24.060" phi="-103.5" psi="158.0" rama="Favored" resname="LEU" resnum="237" rota="mt" rscc="0.946" rsr="0.114" rsrz="-0.587" said="B" seq="244"/>
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	</ModelledSubgroup>
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	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="7" owab="21.500" phi="-51.1" psi="140.4" rama="Favored" resname="PRO" resnum="245" rota="Cg_exo" rscc="0.947" rsr="0.122" rsrz="-0.147" said="B" seq="252"/>
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		<angle-outlier atom0="NE" atom1="CZ" atom2="NH2" mean="120.300" obs="117.530" stdev="0.500" z="-5.54"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="6" owab="32.150" phi="-144.7" psi="-162.6" rama="Allowed" resname="ASN" resnum="252" rota="p30" rscc="0.928" rsr="0.179" rsrz="0.560" said="B" seq="259"/>
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	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="11" owab="20.100" phi="-49.0" psi="-38.9" rama="Favored" resname="ILE" resnum="261" rota="mm" rscc="0.940" rsr="0.106" rsrz="-0.733" said="B" seq="268"/>
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		<angle-outlier atom0="CB" atom1="CG" atom2="OD1" mean="118.300" obs="122.829" stdev="0.900" z="5.03"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="12" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="9" owab="24.770" phi="-91.3" psi="140.7" rama="Favored" resname="TYR" resnum="263" rota="m-85" rscc="0.969" rsr="0.147" rsrz="0.273" said="B" seq="270"/>
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		<clash atom="NZ" cid="33" clashmag="0.40" dist="2.51"/>
	</ModelledSubgroup>
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		<mog-bond-outlier Zscore="5.01" atoms="C2,N1" mean="1.35" mindiff="0.04" numobs="81" obsval="1.42" stdev="0.01"/>
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		<mog-angle-outlier Zscore="4.55" atoms="C4,C4A,C8A" mean="114.43" mindiff="1.93" numobs="49" obsval="118.05" stdev="0.80"/>
		<mog-angle-outlier Zscore="2.79" atoms="C9,C6,N5" mean="110.94" mindiff="0.52" numobs="26" obsval="116.65" stdev="2.05"/>
		<mog-angle-outlier Zscore="11.65" atoms="CB,CA,N" mean="110.19" mindiff="14.37" numobs="39" obsval="127.25" stdev="1.46"/>
		<mog-angle-outlier Zscore="-3.77" atoms="CT,CA,N" mean="112.39" mindiff="3.65" numobs="20" obsval="104.22" stdev="2.17"/>
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		<clash atom="HN1" cid="3" clashmag="0.65" dist="1.44"/>
		<mog-bond-outlier Zscore="4.61" atoms="O4,C4" mean="1.24" mindiff="0.05" numobs="47" obsval="1.36" stdev="0.03"/>
		<mog-bond-outlier Zscore="2.02" atoms="C7,C6" mean="1.52" mindiff="0.00" numobs="21" obsval="1.54" stdev="0.01"/>
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		<clash atom="O" cid="1" clashmag="0.78" dist="1.57"/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="18.680" resname="HOH" resnum="622" rscc="0.938" rsr="0.221" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="17.160" resname="HOH" resnum="623" rscc="0.930" rsr="0.112" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="29.320" resname="HOH" resnum="624" rscc="0.955" rsr="0.185" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="18.850" resname="HOH" resnum="625" rscc="0.916" rsr="0.125" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="15.330" resname="HOH" resnum="626" rscc="0.978" rsr="0.109" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="16.500" resname="HOH" resnum="627" rscc="0.985" rsr="0.113" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="19.100" resname="HOH" resnum="628" rscc="0.903" rsr="0.128" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="23.190" resname="HOH" resnum="629" rscc="0.933" rsr="0.119" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="15.640" resname="HOH" resnum="630" rscc="0.952" rsr="0.210" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="24.990" resname="HOH" resnum="631" rscc="0.970" rsr="0.233" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="28.150" resname="HOH" resnum="632" rscc="0.965" rsr="0.213" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="28.470" resname="HOH" resnum="633" rscc="0.930" rsr="0.095" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="21.870" resname="HOH" resnum="634" rscc="0.907" rsr="0.118" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="13.590" resname="HOH" resnum="635" rscc="0.918" rsr="0.168" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="18.070" resname="HOH" resnum="636" rscc="0.941" rsr="0.103" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="20.660" resname="HOH" resnum="637" rscc="0.874" rsr="0.186" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="22.450" resname="HOH" resnum="638" rscc="0.937" rsr="0.160" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="16.810" resname="HOH" resnum="639" rscc="0.943" rsr="0.170" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="22.410" resname="HOH" resnum="640" rscc="0.742" rsr="0.139" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="26.120" resname="HOH" resnum="641" rscc="0.908" rsr="0.155" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="24.560" resname="HOH" resnum="642" rscc="0.917" rsr="0.147" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="22.970" resname="HOH" resnum="643" rscc="0.951" rsr="0.129" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="29.970" resname="HOH" resnum="644" rscc="0.893" rsr="0.197" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="38.090" resname="HOH" resnum="645" rscc="0.765" rsr="0.300" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="12.210" resname="HOH" resnum="646" rscc="0.978" rsr="0.196" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="33.230" resname="HOH" resnum="647" rscc="0.878" rsr="0.161" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="32.080" resname="HOH" resnum="648" rscc="0.860" rsr="0.158" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="19.980" resname="HOH" resnum="649" rscc="0.949" rsr="0.151" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="35.130" resname="HOH" resnum="650" rscc="0.781" rsr="0.144" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="14.120" resname="HOH" resnum="651" rscc="0.942" rsr="0.149" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="19.630" resname="HOH" resnum="652" rscc="0.925" rsr="0.123" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="18.880" resname="HOH" resnum="653" rscc="0.939" rsr="0.159" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="2.000" resname="HOH" resnum="654" rscc="0.990" rsr="0.130" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="24.190" resname="HOH" resnum="655" rscc="0.946" rsr="0.119" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="4.450" resname="HOH" resnum="656" rscc="0.990" rsr="0.116" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="8.730" resname="HOH" resnum="657" rscc="0.961" rsr="0.192" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="30.390" resname="HOH" resnum="658" rscc="0.813" rsr="0.251" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="30.340" resname="HOH" resnum="659" rscc="0.929" rsr="0.162" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="23.940" resname="HOH" resnum="660" rscc="0.940" rsr="0.104" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="12.180" resname="HOH" resnum="661" rscc="0.906" rsr="0.159" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="23.700" resname="HOH" resnum="662" rscc="0.958" rsr="0.144" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="20.120" resname="HOH" resnum="663" rscc="0.855" rsr="0.192" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="39.250" resname="HOH" resnum="664" rscc="0.939" rsr="0.217" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="18.600" resname="HOH" resnum="665" rscc="0.959" rsr="0.105" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="31.310" resname="HOH" resnum="666" rscc="0.893" rsr="0.340" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="23.240" resname="HOH" resnum="667" rscc="0.805" rsr="0.259" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="27.090" resname="HOH" resnum="668" rscc="0.925" rsr="0.165" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="19.750" resname="HOH" resnum="669" rscc="0.893" rsr="0.185" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="3.180" resname="HOH" resnum="670" rscc="0.976" rsr="0.215" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="16.760" resname="HOH" resnum="671" rscc="0.948" rsr="0.231" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="20.450" resname="HOH" resnum="672" rscc="0.918" rsr="0.231" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="22.360" resname="HOH" resnum="673" rscc="0.986" rsr="0.099" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="24.840" resname="HOH" resnum="674" rscc="0.959" rsr="0.189" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="30.190" resname="HOH" resnum="675" rscc="0.573" rsr="0.525" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="18.300" resname="HOH" resnum="676" rscc="0.972" rsr="0.206" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="28.390" resname="HOH" resnum="677" rscc="0.895" rsr="0.348" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="25.020" resname="HOH" resnum="678" rscc="0.876" rsr="0.232" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="24.480" resname="HOH" resnum="679" rscc="0.890" rsr="0.153" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="30.980" resname="HOH" resnum="680" rscc="0.921" rsr="0.165" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="17.850" resname="HOH" resnum="681" rscc="0.923" rsr="0.259" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="30.990" resname="HOH" resnum="682" rscc="0.948" rsr="0.557" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="22.230" resname="HOH" resnum="683" rscc="0.936" rsr="0.166" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="30.890" resname="HOH" resnum="684" rscc="0.872" rsr="0.160" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="18.120" resname="HOH" resnum="685" rscc="0.941" rsr="0.194" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="24.760" resname="HOH" resnum="686" rscc="0.769" rsr="0.227" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="20.620" resname="HOH" resnum="687" rscc="0.967" rsr="0.187" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="21.210" resname="HOH" resnum="688" rscc="0.853" rsr="0.162" said="O" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="6" icode=" " model="1" owab="17.690" resname="HOH" resnum="689" rscc="0.957" rsr="0.095" said="O" seq="."/>
	<ModelledEntityInstance absolute_RSRZ_percentile="81.96" absolute_rama_percentile="100.00" absolute_sidechain_percentile="21.47" angles_rmsz="0.92" bonds_rmsz="0.57" chain="A" ent="1" model="1" num_angles_rmsz="4454" num_bonds_rmsz="3303" relative_RSRZ_percentile="80.66" relative_rama_percentile="100.00" relative_sidechain_percentile="24.91" said="A"/>
	<ModelledEntityInstance absolute_RSRZ_percentile="85.58" absolute_rama_percentile="100.00" absolute_sidechain_percentile="20.02" angles_rmsz="0.94" bonds_rmsz="0.57" chain="B" ent="1" model="1" num_angles_rmsz="4442" num_bonds_rmsz="3293" relative_RSRZ_percentile="84.71" relative_rama_percentile="100.00" relative_sidechain_percentile="22.47" said="B"/>
	<programs>
		<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="trunk30967"/>
		<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="1.7.3 (157068), CSD as539be (2018)"/>
		<program name="dcc" properties="DCC_R,DCC_refinement_program,B_factor_type,DCC_Rfree" version="2.23  (2018-02-06)"/>
		<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="trunk30967"/>
		<program name="xtriage" properties="xtriage_input_columns,numMillerIndices,DataAnisotropy,TransNCS,centric_outliers,TwinL,acentric_outliers,WilsonBestimate,TwinL2,IoverSigma,WilsonBaniso" version="1.13"/>
		<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,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>
