<?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="0.19" DCC_Rfree="0.21" DCC_refinement_program="REFMAC" DataAnisotropy="0.016" DataCompleteness="99.06" EDS_R="0.19" EDS_resolution="1.70" EDS_resolution_low="32.29" Fo_Fc_correlation="0.953" IoverSigma="2.28(1.70A)" PDB-R="0.18" PDB-Rfree="0.20" PDB-deposition-date="2006-04-18" PDB-resolution="1.70" PDB-resolution-low="46.98" PDB-revision-date="2017-10-18" PDB-revision-number="4" RefmacVersion="5.8.0158" RestypesNotcheckedForBondAngleGeometry="OHT" TransNCS="The largest off-origin peak in the Patterson function is 3.97% of the height of the origin peak. No significant pseudotranslation is detected." TwinL="0.499" TwinL2="0.332" WilsonBaniso="[22.293,22.293,22.649,0.000,0.000,0.000]" WilsonBestimate="22.404" XMLcreationDate="Mar 10, 2018 -- 04:02 pm GMT" absolute-percentile-DCC_Rfree="77.8" absolute-percentile-clashscore="29.5" absolute-percentile-percent-RSRZ-outliers="7.1" absolute-percentile-percent-rama-outliers="100.0" absolute-percentile-percent-rota-outliers="78.1" acentric_outliers="0" angles_rmsz="0.64" attemptedValidationSteps="mogul,molprobity,validation-pack,xtriage,eds,percentiles,writexml" babinet_b="52.476" babinet_k="0.356" bonds_rmsz="0.53" bulk_solvent_b="59.407" bulk_solvent_k="0.339" centric_outliers="0" clashscore="10.22" high-resol-relative-percentile-DCC_Rfree="1.7" high-resol-relative-percentile-clashscore="1.7" high-resol-relative-percentile-percent-RSRZ-outliers="1.7" high-resol-relative-percentile-percent-rama-outliers="1.7" high-resol-relative-percentile-percent-rota-outliers="1.7" low-resol-relative-percentile-DCC_Rfree="1.7" low-resol-relative-percentile-clashscore="1.7" low-resol-relative-percentile-percent-RSRZ-outliers="1.7" low-resol-relative-percentile-percent-rama-outliers="1.7" low-resol-relative-percentile-percent-rota-outliers="1.7" num-H-reduce="1995" num-free-reflections="1025" numMillerIndices="32166" 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="3793" numPDBids-relative-percentile-clashscore="4167" numPDBids-relative-percentile-percent-RSRZ-outliers="3718" numPDBids-relative-percentile-percent-rama-outliers="4100" numPDBids-relative-percentile-percent-rota-outliers="4100" num_angles_rmsz="2673" num_bonds_rmsz="1981" pdbid="2GPU" percent-RSRZ-outliers="9.91" percent-free-reflections="3.19" percent-rama-outliers="0.00" percent-rota-outliers="1.02" percentilebins="all,1.7,xray" protein-DNA-RNA-entities="1" relative-percentile-DCC_Rfree="64.7" relative-percentile-clashscore="14.7" relative-percentile-percent-RSRZ-outliers="7.9" relative-percentile-percent-rama-outliers="100.0" relative-percentile-percent-rota-outliers="69.0" xtriage_input_columns="F_meas_au,F_meas_sigma_au"/>
	<ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="1" owab="34.000" resname="TYR" resnum="234" rscc="0.688" rsr="0.243" rsrz="4.182" said="A" seq="6"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="6" owab="26.790" phi="-73.0" psi="128.9" rama="Favored" resname="ASN" resnum="235" rota="t-20" rscc="0.884" rsr="0.105" rsrz="0.073" said="A" seq="7"/>
	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="13" owab="24.610" phi="-68.8" psi="-39.1" rama="Favored" resname="LYS" resnum="236" rota="tptt" rscc="0.931" rsr="0.093" rsrz="-0.582" said="A" seq="8"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="11" owab="19.270" phi="-60.5" psi="-44.6" rama="Favored" resname="ILE" resnum="237" rota="mt" rscc="0.966" rsr="0.108" rsrz="0.289" said="A" seq="9"/>
	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="9" owab="18.620" phi="-61.6" psi="-45.3" rama="Favored" resname="VAL" resnum="238" rota="t" rscc="0.940" rsr="0.097" rsrz="0.078" said="A" seq="10"/>
	<ModelledSubgroup NatomsEDS="6" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="5" owab="20.690" phi="-57.8" psi="-43.8" rama="Favored" resname="SER" resnum="239" rota="m" rscc="0.929" rsr="0.105" rsrz="0.169" said="A" seq="11"/>
	<ModelledSubgroup NatomsEDS="10" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="7" owab="18.980" phi="-62.4" psi="-45.5" rama="Favored" resname="HIS" resnum="240" rota="t60" rscc="0.963" rsr="0.065" rsrz="-0.578" said="A" seq="12"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="11" owab="17.690" phi="-62.5" psi="-35.5" rama="Favored" resname="LEU" resnum="241" rota="mt" rscc="0.931" rsr="0.147" rsrz="1.301" said="A" seq="13"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="11" owab="20.610" phi="-63.2" psi="-44.5" rama="Favored" resname="LEU" resnum="242" rota="mt" rscc="0.927" rsr="0.093" rsrz="-0.113" said="A" seq="14"/>
	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="9" owab="22.630" phi="-72.1" psi="-21.9" rama="Favored" resname="VAL" resnum="243" rota="m" rscc="0.947" rsr="0.086" rsrz="-0.209" said="A" seq="15"/>
	<ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="5" owab="21.570" phi="-79.9" psi="-7.3" rama="Favored" resname="ALA" resnum="244" rscc="0.973" rsr="0.069" rsrz="-0.459" said="A" seq="16"/>
	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="6" owab="24.080" phi="-63.4" psi="125.6" rama="Favored" resname="GLU" resnum="245" rota="tp10" rscc="0.908" rsr="0.112" rsrz="-0.225" said="A" seq="17"/>
	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="7" owab="25.080" phi="-61.4" psi="154.4" rama="Favored" resname="PRO" resnum="246" rota="Cg_exo" rscc="0.936" rsr="0.086" rsrz="-0.152" said="A" seq="18">
		<clash atom="HB3" cid="15" clashmag="0.67" dist="1.77"/>
		<clash atom="HB3" cid="24" clashmag="0.50" dist="2.41"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="6" owab="30.830" phi="-68.1" psi="156.9" rama="Favored" resname="GLU" resnum="247" rota="mm-40" rscc="0.885" rsr="0.150" rsrz="0.334" said="A" seq="19"/>
	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="13" owab="30.410" phi="-56.6" psi="147.1" rama="Favored" resname="LYS" resnum="248" rota="mttt" rscc="0.864" rsr="0.168" rsrz="0.592" said="A" seq="20">
		<clash atom="NZ" cid="35" clashmag="0.42" dist="2.53"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="11" owab="28.200" phi="-123.5" psi="128.7" rama="Favored" resname="ILE" resnum="249" rota="mt" rscc="0.828" rsr="0.168" rsrz="1.893" said="A" seq="21"/>
	<ModelledSubgroup NatomsEDS="12" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="9" owab="28.140" phi="-85.4" psi="145.9" rama="Favored" resname="TYR" resnum="250" rota="m-85" rscc="0.877" rsr="0.125" rsrz="0.984" said="A" seq="22"/>
	<ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="5" owab="20.860" phi="-79.5" psi="-32.9" rama="Favored" resname="ALA" resnum="251" rscc="0.859" rsr="0.133" rsrz="0.982" said="A" seq="23"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="9" owab="22.980" phi="51.1" psi="61.6" rama="Favored" resname="MET" resnum="252" rota="mtm" rscc="0.934" rsr="0.106" rsrz="0.217" said="A" seq="24"/>
	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="7" owab="21.720" phi="-61.3" psi="141.8" rama="Favored" resname="PRO" resnum="253" rota="Cg_endo" rscc="0.938" rsr="0.079" rsrz="-0.295" said="A" seq="25"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="4" owab="21.060" phi="-71.9" psi="114.9" rama="Favored" resname="ASP" resnum="254" rota="t0" rscc="0.963" rsr="0.075" rsrz="-0.512" said="A" seq="26"/>
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	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="7" owab="22.230" phi="-92.5" psi="-10.6" rama="Favored" resname="THR" resnum="256" rota="p" rscc="0.915" rsr="0.097" rsrz="0.113" said="A" seq="28"/>
	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="9" owab="19.860" phi="-97.1" psi="131.1" rama="Favored" resname="VAL" resnum="257" rota="t" rscc="0.931" rsr="0.095" rsrz="0.026" said="A" seq="29"/>
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	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="4" owab="26.790" phi="-60.7" psi="135.4" rama="Favored" resname="ASP" resnum="259" rota="m-20" rscc="0.877" rsr="0.154" rsrz="0.814" said="A" seq="31"/>
	<ModelledSubgroup NatomsEDS="6" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="5" owab="24.720" phi="-167.3" psi="169.3" rama="Favored" resname="SER" resnum="260" rota="p" rscc="0.911" rsr="0.105" rsrz="0.169" said="A" seq="32"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="4" owab="28.910" phi="-61.0" psi="-40.5" rama="Favored" resname="ASP" resnum="261" rota="p-10" rscc="0.921" rsr="0.124" rsrz="0.310" said="A" seq="33"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="11" owab="27.530" phi="-61.0" psi="-44.8" rama="Favored" resname="ILE" resnum="262" rota="mm" rscc="0.971" rsr="0.148" rsrz="1.358" said="A" seq="34"/>
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	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="7" owab="24.590" phi="-56.9" psi="-47.8" rama="Favored" resname="THR" resnum="266" rota="m" rscc="0.953" rsr="0.068" rsrz="-0.517" said="A" seq="38"/>
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	<ModelledSubgroup NatomsEDS="14" altcode="A" avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="9" owab="19.090" phi="-66.8" psi="-46.5" rama="Favored" resname="VAL" resnum="278" rota="m" rscc="0.952" rsr="0.105" rsrz="0.287" said="A" seq="50"/>
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		<clash atom="HG11" cid="15" clashmag="0.67" dist="1.77"/>
		<clash atom="CG1" cid="24" clashmag="0.50" dist="2.41"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="10" owab="19.720" phi="-52.4" psi="-45.0" rama="Favored" resname="ILE" resnum="279" rota="mt" rscc="0.958" rsr="0.099" rsrz="0.048" said="A" seq="51"/>
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		<clash atom="HD13" cid="34" clashmag="0.42" dist="2.02"/>
		<clash atom="HD13" cid="40" clashmag="0.40" dist="2.03"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="4" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="3" owab="21.860" phi="-65.2" psi="-40.7" rama="Favored" resname="GLY" resnum="281" rscc="0.955" rsr="0.089" rsrz="-0.010" said="A" seq="53"/>
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		<clash atom="HZ2" cid="26" clashmag="0.49" dist="1.95"/>
	</ModelledSubgroup>
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		<clash atom="HE21" cid="14" clashmag="0.69" dist="1.56"/>
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		<clash atom="HD3" cid="28" clashmag="0.46" dist="2.29"/>
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	<ModelledSubgroup NatomsEDS="10" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="6" owab="19.660" phi="-136.2" psi="59.0" rama="Allowed" resname="HIS" resnum="407" rota="m-70" rscc="0.960" rsr="0.060" rsrz="-0.672" said="A" seq="179"/>
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	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="0.600" chain="A" ent="1" icode=" " model="1" num-H-reduce="9" owab="50.880" phi="-106.9" psi="129.8" rama="Favored" resname="VAL" resnum="444" rota="p" rscc="0.519" rsr="0.237" rsrz="3.734" said="A" seq="216"/>
	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="0.600" chain="A" ent="1" icode=" " model="1" num-H-reduce="7" owab="52.310" phi="-63.3" psi="153.2" rama="Favored" resname="PRO" resnum="445" rota="Cg_exo" rscc="0.783" rsr="0.176" rsrz="1.677" said="A" seq="217"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="0.600" chain="A" ent="1" icode=" " model="1" num-H-reduce="9" owab="52.480" phi="-63.7" psi="-28.0" rama="Favored" resname="MET" resnum="446" rota="mmm" rscc="0.685" rsr="0.200" rsrz="2.234" said="A" seq="218"/>
	<ModelledSubgroup NatomsEDS="10" altcode=" " avgoccu="0.600" chain="A" ent="1" icode=" " model="1" num-H-reduce="7" owab="55.460" phi="-62.3" psi="-50.5" rama="Favored" resname="HIS" resnum="447" rota="OUTLIER" rscc="0.346" rsr="0.346" rsrz="4.664" said="A" seq="219"/>
	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="0.600" chain="A" ent="1" icode=" " model="1" num-H-reduce="13" owab="55.690" phi="-63.8" psi="-32.7" rama="Favored" resname="LYS" resnum="448" rota="OUTLIER" rscc="0.675" rsr="0.340" rsrz="3.283" said="A" seq="220">
		<clash atom="HA" cid="13" clashmag="0.70" dist="1.72"/>
		<clash atom="O" cid="8" clashmag="0.86" dist="1.93"/>
		<clash atom="C" cid="27" clashmag="0.49" dist="2.51"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="0.600" chain="A" ent="1" icode=" " model="1" num-H-reduce="11" owab="56.010" phi="-62.0" psi="-46.1" rama="Favored" resname="LEU" resnum="449" rota="mt" rscc="0.695" rsr="0.210" rsrz="2.950" said="A" seq="221"/>
	<ModelledSubgroup NatomsEDS="11" altcode=" " avgoccu="0.600" chain="A" ent="1" icode=" " model="1" num-H-reduce="9" owab="56.170" phi="-66.7" psi="-30.6" rama="Favored" resname="PHE" resnum="450" rota="m-85" rscc="0.462" rsr="0.313" rsrz="6.238" said="A" seq="222">
		<clash atom="CB" cid="31" clashmag="0.44" dist="2.96"/>
		<clash atom="HB2" cid="17" clashmag="0.61" dist="1.82"/>
		<clash atom="HB2" cid="18" clashmag="0.60" dist="2.31"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="16" altcode="A" avgoccu="0.600" chain="A" ent="1" icode=" " model="1" num-H-reduce="11" owab="56.820" phi="-66.2" psi="-55.5" rama="Favored" resname="LEU" resnum="451" rota="tp" rscc="0.804" rsr="0.326" rsrz="5.987" said="A" seq="223">
		<clash atom="HD12" cid="11" clashmag="0.75" dist="1.69"/>
		<clash atom="HD12" cid="12" clashmag="0.71" dist="2.21"/>
		<clash atom="CD1" cid="20" clashmag="0.54" dist="2.85"/>
		<clash atom="CD1" cid="23" clashmag="0.51" dist="2.40"/>
		<clash atom="O" cid="32" clashmag="0.43" dist="2.57"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="16" altcode="B" avgoccu="0.600" chain="A" ent="1" icode=" " model="1" num-H-reduce="11" owab="56.820" phi="-66.2" psi="-55.5" rama="Favored" resname="LEU" resnum="451" rota="tp" rscc="0.804" rsr="0.326" rsrz="5.987" said="A" seq="223">
		<clash atom="HD12" cid="13" clashmag="0.70" dist="1.72"/>
		<clash atom="HD23" cid="2" clashmag="1.20" dist="1.69"/>
		<clash atom="HD23" cid="3" clashmag="1.14" dist="1.14"/>
		<clash atom="CB" cid="38" clashmag="0.41" dist="2.44"/>
		<clash atom="CD2" cid="1" clashmag="1.21" dist="2.18"/>
		<clash atom="CD2" cid="5" clashmag="1.08" dist="1.80"/>
		<clash atom="CD2" cid="7" clashmag="0.92" dist="1.85"/>
		<clash atom="HD21" cid="19" clashmag="0.57" dist="2.26"/>
		<clash atom="HD21" cid="22" clashmag="0.51" dist="1.86"/>
		<clash atom="HG" cid="4" clashmag="1.09" dist="1.16"/>
		<clash atom="HG" cid="10" clashmag="0.83" dist="2.03"/>
		<clash atom="CG" cid="0" clashmag="1.25" dist="1.65"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="18" altcode="A" avgoccu="0.600" chain="A" ent="1" icode=" " model="1" num-H-reduce="6" owab="57.200" phi="-55.1" psi="-20.3" rama="Favored" resname="GLU" resnum="452" rota="tm-20" rscc="0.670" rsr="0.438" rsrz="4.576" said="A" seq="224">
		<clash atom="C" cid="32" clashmag="0.43" dist="2.57"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="18" altcode="B" avgoccu="0.600" chain="A" ent="1" icode=" " model="1" num-H-reduce="6" owab="57.200" phi="-55.1" psi="-20.3" rama="Favored" resname="GLU" resnum="452" rota="tm-20" rscc="0.670" rsr="0.438" rsrz="4.576" said="A" seq="224">
		<clash atom="OE2" cid="8" clashmag="0.86" dist="1.93"/>
		<clash atom="OE2" cid="27" clashmag="0.49" dist="2.51"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="16" altcode="A" avgoccu="0.600" chain="A" ent="1" icode=" " model="1" num-H-reduce="9" owab="57.390" phi="-103.6" psi="-23.6" rama="Favored" resname="MET" resnum="453" rota="mmt" rscc="0.549" rsr="0.322" rsrz="4.852" said="A" seq="225">
		<clash atom="HB3" cid="34" clashmag="0.42" dist="2.02"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="16" altcode="B" avgoccu="0.600" chain="A" ent="1" icode=" " model="1" num-H-reduce="9" owab="57.390" phi="-103.6" psi="-23.6" rama="Favored" resname="MET" resnum="453" rota="mmt" rscc="0.549" rsr="0.322" rsrz="4.852" said="A" seq="225">
		<clash atom="HB2" cid="40" clashmag="0.40" dist="2.03"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="0.600" chain="A" ent="1" icode=" " model="1" num-H-reduce="10" owab="57.200" phi="-89.2" psi="-44.7" rama="Favored" resname="LEU" resnum="454" rota="mt" rscc="0.069" rsr="0.338" rsrz="6.301" said="A" seq="226">
		<clash atom="HD12" cid="6" clashmag="1.06" dist="1.95"/>
		<clash atom="HD12" cid="21" clashmag="0.52" dist="1.92"/>
		<clash atom="CD1" cid="29" clashmag="0.45" dist="2.86"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="0.600" chain="A" ent="1" icode=" " model="1" num-H-reduce="6" owab="58.480" resname="GLU" resnum="455" rota="mm-40" rscc="0.296" rsr="0.432" rsrz="4.487" said="A" seq="227"/>
	<ModelledSubgroup NatomsEDS="29" altcode=" " avgoccu="1.000" chain="A" ent="2" icode=" " model="1" mogul_angles_rmsz="1.16" mogul_bonds_rmsz="0.69" mogul_rmsz_numangles="41" mogul_rmsz_numbonds="31" num-H-reduce="29" owab="24.330" resname="OHT" resnum="459" rscc="0.915" rsr="0.098" said="B" seq=".">
		<mog-angle-outlier Zscore="2.16" atoms="C9,C8,C7" mean="123.36" mindiff="0.72" numobs="45" obsval="125.60" stdev="1.04"/>
		<mog-angle-outlier Zscore="2.72" atoms="C16,C11,C8" mean="121.00" mindiff="0.00" numobs="1163" obsval="124.63" stdev="1.34"/>
		<mog-angle-outlier Zscore="-3.56" atoms="C12,C11,C8" mean="121.00" mindiff="0.10" numobs="1163" obsval="116.23" stdev="1.34"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="16.070" resname="HOH" resnum="460" rscc="0.986" rsr="0.303" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="17.140" resname="HOH" resnum="461" rscc="0.994" rsr="0.175" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="15.010" resname="HOH" resnum="462" rscc="0.983" rsr="0.189" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="22.930" resname="HOH" resnum="463" rscc="0.982" rsr="0.128" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="17.080" resname="HOH" resnum="464" rscc="0.985" rsr="0.255" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="17.250" resname="HOH" resnum="465" rscc="0.990" rsr="0.084" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="19.650" resname="HOH" resnum="466" rscc="0.964" rsr="0.135" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="17.330" resname="HOH" resnum="467" rscc="0.985" rsr="0.083" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="19.510" resname="HOH" resnum="468" rscc="0.987" rsr="0.136" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="19.990" resname="HOH" resnum="469" rscc="0.989" rsr="0.082" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="23.770" resname="HOH" resnum="470" rscc="0.981" rsr="0.086" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="17.090" resname="HOH" resnum="471" rscc="0.987" rsr="0.129" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="17.650" resname="HOH" resnum="472" rscc="0.983" rsr="0.209" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="24.350" resname="HOH" resnum="473" rscc="0.966" rsr="0.086" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="16.430" resname="HOH" resnum="474" rscc="0.987" rsr="0.228" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="18.180" resname="HOH" resnum="475" rscc="0.975" rsr="0.119" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="21.290" resname="HOH" resnum="476" rscc="0.980" rsr="0.093" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="25.640" resname="HOH" resnum="477" rscc="0.942" rsr="0.111" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="14.530" resname="HOH" resnum="478" rscc="0.985" rsr="0.209" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="25.160" resname="HOH" resnum="479" rscc="0.953" rsr="0.222" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="22.140" resname="HOH" resnum="480" rscc="0.964" rsr="0.085" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="23.730" resname="HOH" resnum="481" rscc="0.963" rsr="0.140" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="22.540" resname="HOH" resnum="482" rscc="0.990" rsr="0.046" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="26.310" resname="HOH" resnum="483" rscc="0.970" rsr="0.114" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="20.470" resname="HOH" resnum="484" rscc="0.985" rsr="0.097" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="23.900" resname="HOH" resnum="485" rscc="0.961" rsr="0.177" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="27.570" resname="HOH" resnum="486" rscc="0.990" rsr="0.068" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="19.370" resname="HOH" resnum="487" rscc="0.965" rsr="0.140" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="27.510" resname="HOH" resnum="488" rscc="0.910" rsr="0.170" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="21.760" resname="HOH" resnum="489" rscc="0.993" rsr="0.142" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="24.340" resname="HOH" resnum="490" rscc="0.958" rsr="0.161" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="25.960" resname="HOH" resnum="491" rscc="0.982" rsr="0.141" said="C" seq=".">
		<clash atom="O" cid="39" clashmag="0.41" dist="2.21"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="23.320" resname="HOH" resnum="492" rscc="0.987" rsr="0.101" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="22.000" resname="HOH" resnum="493" rscc="0.980" rsr="0.096" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="27.820" resname="HOH" resnum="494" rscc="0.951" rsr="0.085" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="25.850" resname="HOH" resnum="495" rscc="0.961" rsr="0.101" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="21.250" resname="HOH" resnum="496" rscc="0.965" rsr="0.071" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="28.920" resname="HOH" resnum="497" rscc="0.953" rsr="0.086" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="29.660" resname="HOH" resnum="498" rscc="0.968" rsr="0.064" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="21.200" resname="HOH" resnum="499" rscc="0.983" rsr="0.051" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="27.240" resname="HOH" resnum="500" rscc="0.943" rsr="0.098" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="28.660" resname="HOH" resnum="501" rscc="0.963" rsr="0.154" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="22.050" resname="HOH" resnum="502" rscc="0.967" rsr="0.067" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="25.250" resname="HOH" resnum="503" rscc="0.972" rsr="0.140" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="28.120" resname="HOH" resnum="504" rscc="0.939" rsr="0.115" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="22.240" resname="HOH" resnum="505" rscc="0.976" rsr="0.116" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="20.670" resname="HOH" resnum="506" rscc="0.984" rsr="0.078" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="29.050" resname="HOH" resnum="507" rscc="0.804" rsr="0.149" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="24.030" resname="HOH" resnum="508" rscc="0.986" rsr="0.203" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="29.060" resname="HOH" resnum="509" rscc="0.951" rsr="0.151" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="24.280" resname="HOH" resnum="510" rscc="0.938" rsr="0.161" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="19.840" resname="HOH" resnum="511" rscc="0.996" rsr="0.092" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="27.400" resname="HOH" resnum="512" rscc="0.980" rsr="0.137" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="34.130" resname="HOH" resnum="513" rscc="0.968" rsr="0.094" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="28.700" resname="HOH" resnum="514" rscc="0.974" rsr="0.094" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="21.690" resname="HOH" resnum="515" rscc="0.953" rsr="0.108" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="26.960" resname="HOH" resnum="516" rscc="0.939" rsr="0.162" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="25.110" resname="HOH" resnum="517" rscc="0.984" rsr="0.093" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="28.920" resname="HOH" resnum="518" rscc="0.974" rsr="0.066" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="25.980" resname="HOH" resnum="519" rscc="0.985" rsr="0.126" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="24.700" resname="HOH" resnum="520" rscc="0.957" rsr="0.167" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="26.320" resname="HOH" resnum="521" rscc="0.983" rsr="0.075" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="28.010" resname="HOH" resnum="522" rscc="0.968" rsr="0.098" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="30.100" resname="HOH" resnum="523" rscc="0.985" rsr="0.124" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="28.340" resname="HOH" resnum="524" rscc="0.964" rsr="0.098" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="30.640" resname="HOH" resnum="525" rscc="0.951" rsr="0.099" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="25.880" resname="HOH" resnum="526" rscc="0.967" rsr="0.166" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="25.080" resname="HOH" resnum="527" rscc="0.978" rsr="0.073" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="27.890" resname="HOH" resnum="528" rscc="0.970" rsr="0.099" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="33.750" resname="HOH" resnum="529" rscc="0.948" rsr="0.172" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="27.460" resname="HOH" resnum="530" rscc="0.976" rsr="0.068" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="29.740" resname="HOH" resnum="531" rscc="0.928" rsr="0.093" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="28.840" resname="HOH" resnum="532" rscc="0.960" rsr="0.193" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="21.260" resname="HOH" resnum="533" rscc="0.979" rsr="0.067" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="24.490" resname="HOH" resnum="534" rscc="0.971" rsr="0.158" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="32.960" resname="HOH" resnum="535" rscc="0.964" rsr="0.069" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="32.420" resname="HOH" resnum="536" rscc="0.934" rsr="0.074" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="25.260" resname="HOH" resnum="537" rscc="0.993" rsr="0.069" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="33.280" resname="HOH" resnum="538" rscc="0.949" rsr="0.092" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="27.520" resname="HOH" resnum="539" rscc="0.930" rsr="0.107" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="23.940" resname="HOH" resnum="540" rscc="0.979" rsr="0.090" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="28.600" resname="HOH" resnum="541" rscc="0.957" rsr="0.089" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="25.240" resname="HOH" resnum="542" rscc="0.976" rsr="0.122" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="27.370" resname="HOH" resnum="543" rscc="0.975" rsr="0.098" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="28.460" resname="HOH" resnum="544" rscc="0.990" rsr="0.177" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="24.470" resname="HOH" resnum="545" rscc="0.975" rsr="0.108" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="28.660" resname="HOH" resnum="546" rscc="0.974" rsr="0.083" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="30.150" resname="HOH" resnum="547" rscc="0.871" rsr="0.109" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="41.790" resname="HOH" resnum="548" rscc="0.936" rsr="0.147" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="31.230" resname="HOH" resnum="549" rscc="0.940" rsr="0.070" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="29.450" resname="HOH" resnum="550" rscc="0.915" rsr="0.118" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="29.790" resname="HOH" resnum="551" rscc="0.964" rsr="0.090" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="30.620" resname="HOH" resnum="552" rscc="0.936" rsr="0.104" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="31.160" resname="HOH" resnum="553" rscc="0.977" rsr="0.109" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="27.140" resname="HOH" resnum="554" rscc="0.963" rsr="0.083" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="31.790" resname="HOH" resnum="555" rscc="0.953" rsr="0.292" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="31.200" resname="HOH" resnum="556" rscc="0.856" rsr="0.222" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="36.230" resname="HOH" resnum="557" rscc="0.979" rsr="0.142" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="30.620" resname="HOH" resnum="558" rscc="0.953" rsr="0.238" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="31.770" resname="HOH" resnum="559" rscc="0.982" rsr="0.083" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="28.150" resname="HOH" resnum="560" rscc="0.963" rsr="0.117" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="41.180" resname="HOH" resnum="561" rscc="0.780" rsr="0.411" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="31.280" resname="HOH" resnum="562" rscc="0.953" rsr="0.104" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="25.460" resname="HOH" resnum="563" rscc="0.986" rsr="0.084" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="29.620" resname="HOH" resnum="564" rscc="0.964" rsr="0.098" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="29.790" resname="HOH" resnum="565" rscc="0.975" rsr="0.148" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="35.430" resname="HOH" resnum="566" rscc="0.889" rsr="0.081" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="39.740" resname="HOH" resnum="567" rscc="0.686" rsr="0.206" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="35.430" resname="HOH" resnum="568" rscc="0.852" rsr="0.214" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="37.110" resname="HOH" resnum="569" rscc="0.977" rsr="0.130" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="38.050" resname="HOH" resnum="570" rscc="0.894" rsr="0.130" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="39.280" resname="HOH" resnum="571" rscc="0.808" rsr="0.201" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="33.290" resname="HOH" resnum="572" rscc="0.919" rsr="0.141" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="37.770" resname="HOH" resnum="573" rscc="0.896" rsr="0.138" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="30.920" resname="HOH" resnum="574" rscc="0.938" rsr="0.081" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="32.160" resname="HOH" resnum="575" rscc="0.920" rsr="0.200" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="37.010" resname="HOH" resnum="576" rscc="0.953" rsr="0.100" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="34.360" resname="HOH" resnum="577" rscc="0.937" rsr="0.237" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="42.180" resname="HOH" resnum="578" rscc="0.970" rsr="0.104" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="38.730" resname="HOH" resnum="579" rscc="0.838" rsr="0.155" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="31.950" resname="HOH" resnum="580" rscc="0.902" rsr="0.147" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="31.200" resname="HOH" resnum="581" rscc="0.935" rsr="0.290" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="31.500" resname="HOH" resnum="582" rscc="0.978" rsr="0.249" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="34.970" resname="HOH" resnum="583" rscc="0.915" rsr="0.100" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="25.320" resname="HOH" resnum="584" rscc="0.968" rsr="0.086" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="32.670" resname="HOH" resnum="585" rscc="0.953" rsr="0.093" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="39.460" resname="HOH" resnum="586" rscc="0.951" rsr="0.077" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="36.450" resname="HOH" resnum="587" rscc="0.936" rsr="0.214" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="38.010" resname="HOH" resnum="588" rscc="0.885" rsr="0.325" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="32.290" resname="HOH" resnum="589" rscc="0.941" rsr="0.110" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="37.350" resname="HOH" resnum="590" rscc="0.871" rsr="0.094" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="31.730" resname="HOH" resnum="591" rscc="0.962" rsr="0.117" said="C" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="36.650" resname="HOH" resnum="593" rscc="0.921" rsr="0.250" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="43.730" resname="HOH" resnum="594" rscc="0.870" rsr="0.229" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="31.000" resname="HOH" resnum="595" rscc="0.947" rsr="0.060" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="45.860" resname="HOH" resnum="596" rscc="0.920" rsr="0.080" said="C" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="35.010" resname="HOH" resnum="599" rscc="0.924" rsr="0.180" said="C" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="40.080" resname="HOH" resnum="602" rscc="0.809" rsr="0.153" said="C" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="36.850" resname="HOH" resnum="604" rscc="0.947" rsr="0.120" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="41.100" resname="HOH" resnum="605" rscc="0.939" rsr="0.082" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="35.110" resname="HOH" resnum="606" rscc="0.934" rsr="0.196" said="C" seq="."/>
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		<symm-clash atom="O" clashmag="0.04" dist="2.16" scid="1" symop="1_555"/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="47.150" resname="HOH" resnum="701" rscc="0.887" rsr="0.210" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="45.270" resname="HOH" resnum="702" rscc="0.936" rsr="0.227" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="50.370" resname="HOH" resnum="703" rscc="0.897" rsr="0.201" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="39.160" resname="HOH" resnum="704" rscc="0.960" rsr="0.228" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="48.640" resname="HOH" resnum="705" rscc="0.583" rsr="0.189" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="41.740" resname="HOH" resnum="706" rscc="0.648" rsr="0.209" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="48.510" resname="HOH" resnum="707" rscc="0.834" rsr="0.159" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="44.930" resname="HOH" resnum="708" rscc="0.902" rsr="0.314" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="57.570" resname="HOH" resnum="709" rscc="0.689" rsr="0.287" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="45.940" resname="HOH" resnum="710" rscc="0.766" rsr="0.200" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="46.750" resname="HOH" resnum="711" rscc="0.838" rsr="0.132" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="51.260" resname="HOH" resnum="712" rscc="0.760" rsr="0.175" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="57.080" resname="HOH" resnum="713" rscc="0.571" rsr="0.189" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="47.790" resname="HOH" resnum="714" rscc="0.816" rsr="0.185" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="56.820" resname="HOH" resnum="715" rscc="0.792" rsr="0.373" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="51.450" resname="HOH" resnum="716" rscc="0.855" rsr="0.156" said="C" seq=".">
		<clash atom="O" cid="36" clashmag="0.42" dist="2.47"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="54.010" resname="HOH" resnum="717" rscc="0.704" rsr="0.103" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="56.380" resname="HOH" resnum="718" rscc="0.650" rsr="0.175" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="47.100" resname="HOH" resnum="719" rscc="0.845" rsr="0.213" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="48.830" resname="HOH" resnum="720" rscc="0.913" rsr="0.437" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="58.440" resname="HOH" resnum="721" rscc="0.799" rsr="0.277" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="47.420" resname="HOH" resnum="722" rscc="0.943" rsr="0.194" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="46.480" resname="HOH" resnum="723" rscc="0.918" rsr="0.267" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="42.200" resname="HOH" resnum="724" rscc="0.893" rsr="0.174" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="51.670" resname="HOH" resnum="725" rscc="0.866" rsr="0.110" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="59.780" resname="HOH" resnum="726" rscc="0.662" rsr="0.206" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="45.230" resname="HOH" resnum="727" rscc="0.883" rsr="0.318" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="41.700" resname="HOH" resnum="728" rscc="0.920" rsr="0.242" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="48.490" resname="HOH" resnum="729" rscc="0.877" rsr="0.168" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="47.710" resname="HOH" resnum="730" rscc="0.920" rsr="0.073" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="43.590" resname="HOH" resnum="731" rscc="0.850" rsr="0.111" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="40.040" resname="HOH" resnum="732" rscc="0.883" rsr="0.168" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="44.020" resname="HOH" resnum="733" rscc="0.870" rsr="0.287" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="50.600" resname="HOH" resnum="734" rscc="0.758" rsr="0.328" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="53.910" resname="HOH" resnum="735" rscc="0.948" rsr="0.206" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="50.850" resname="HOH" resnum="736" rscc="0.773" rsr="0.230" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="50.960" resname="HOH" resnum="737" rscc="0.894" rsr="0.276" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="53.440" resname="HOH" resnum="738" rscc="0.819" rsr="0.211" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="47.740" resname="HOH" resnum="739" rscc="0.926" rsr="0.299" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="50.060" resname="HOH" resnum="740" rscc="0.622" rsr="0.328" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="52.510" resname="HOH" resnum="741" rscc="0.763" rsr="0.196" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="53.100" resname="HOH" resnum="742" rscc="0.656" rsr="0.246" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="54.790" resname="HOH" resnum="743" rscc="0.944" rsr="0.121" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="46.320" resname="HOH" resnum="744" rscc="0.927" rsr="0.065" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="51.280" resname="HOH" resnum="745" rscc="0.686" rsr="0.252" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="55.260" resname="HOH" resnum="746" rscc="0.897" rsr="0.134" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="59.900" resname="HOH" resnum="747" rscc="0.863" rsr="0.241" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="48.670" resname="HOH" resnum="748" rscc="0.924" rsr="0.196" said="C" seq=".">
		<clash atom="O" cid="35" clashmag="0.42" dist="2.53"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="48.370" resname="HOH" resnum="749" rscc="0.732" rsr="0.109" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="47.010" resname="HOH" resnum="750" rscc="0.671" rsr="0.271" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="54.250" resname="HOH" resnum="751" rscc="0.869" rsr="0.221" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="44.010" resname="HOH" resnum="752" rscc="0.889" rsr="0.221" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="51.150" resname="HOH" resnum="753" rscc="0.829" rsr="0.147" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="43.640" resname="HOH" resnum="754" rscc="0.800" rsr="0.260" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="57.940" resname="HOH" resnum="755" rscc="0.797" rsr="0.146" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="40.880" resname="HOH" resnum="756" rscc="0.851" rsr="0.183" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="51.040" resname="HOH" resnum="757" rscc="0.928" rsr="0.590" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="43.470" resname="HOH" resnum="758" rscc="0.874" rsr="0.248" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="55.800" resname="HOH" resnum="759" rscc="0.718" rsr="0.162" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="51.980" resname="HOH" resnum="760" rscc="0.671" rsr="0.258" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="34.000" resname="HOH" resnum="761" rscc="0.932" rsr="0.120" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="32.010" resname="HOH" resnum="762" rscc="0.953" rsr="0.207" said="C" seq=".">
		<symm-clash atom="O" clashmag="0.04" dist="2.16" scid="0" symop="1_555"/>
		<symm-clash atom="O" clashmag="0.04" dist="2.16" scid="0" symop="8_775"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="42.820" resname="HOH" resnum="763" rscc="0.809" rsr="0.269" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="37.300" resname="HOH" resnum="764" rscc="0.933" rsr="0.195" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="43.190" resname="HOH" resnum="765" rscc="0.905" rsr="0.192" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="46.270" resname="HOH" resnum="766" rscc="0.835" rsr="0.255" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="58.840" resname="HOH" resnum="767" rscc="0.739" rsr="0.084" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="56.540" resname="HOH" resnum="768" rscc="0.882" rsr="0.143" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="49.150" resname="HOH" resnum="769" rscc="0.823" rsr="0.146" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="38.120" resname="HOH" resnum="770" rscc="0.752" rsr="0.352" said="C" seq=".">
		<clash atom="O" cid="26" clashmag="0.49" dist="1.95"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="51.720" resname="HOH" resnum="771" rscc="0.907" rsr="0.346" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="42.810" resname="HOH" resnum="772" rscc="0.822" rsr="0.424" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="57.290" resname="HOH" resnum="773" rscc="0.495" rsr="0.197" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="57.990" resname="HOH" resnum="774" rscc="0.681" rsr="0.261" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="46.490" resname="HOH" resnum="775" rscc="0.701" rsr="0.264" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="56.340" resname="HOH" resnum="776" rscc="0.569" rsr="0.207" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="60.110" resname="HOH" resnum="777" rscc="0.757" rsr="0.250" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="40.710" resname="HOH" resnum="778" rscc="0.748" rsr="0.212" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="49.550" resname="HOH" resnum="779" rscc="0.761" rsr="0.134" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="58.630" resname="HOH" resnum="780" rscc="0.478" rsr="0.253" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="47.850" resname="HOH" resnum="781" rscc="0.904" rsr="0.240" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="50.360" resname="HOH" resnum="782" rscc="0.792" rsr="0.254" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="54.510" resname="HOH" resnum="783" rscc="0.938" rsr="0.258" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="56.690" resname="HOH" resnum="784" rscc="0.718" rsr="0.094" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="53.890" resname="HOH" resnum="785" rscc="0.867" rsr="0.256" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="49.260" resname="HOH" resnum="786" rscc="0.822" rsr="0.145" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="63.940" resname="HOH" resnum="787" rscc="0.743" rsr="0.252" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="50.840" resname="HOH" resnum="788" rscc="0.905" rsr="0.118" said="C" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" owab="43.820" resname="HOH" resnum="789" rscc="0.795" rsr="0.600" said="C" seq=".">
		<symm-clash atom="O" clashmag="0.04" dist="2.16" scid="1" symop="8_675"/>
	</ModelledSubgroup>
	<ModelledEntityInstance absolute_RSRZ_percentile="7.11" absolute_rama_percentile="100.00" absolute_sidechain_percentile="80.57" angles_rmsz="0.64" bonds_rmsz="0.53" chain="A" ent="1" model="1" num_angles_rmsz="2673" num_bonds_rmsz="1981" relative_RSRZ_percentile="7.93" relative_rama_percentile="100.00" relative_sidechain_percentile="72.51" said="A"/>
	<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-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="validation-pack" properties="symm-clash" version="unknown"/>
		<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"/>
		<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>
