<?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_v004.xsd">
	<Entry B_factor_type="FULL" CCP4version="7.0.044 (Gargrove)" DCC_R="0.15" DCC_Rfree="0.17" DCC_refinement_program="PHENIX" DataAnisotropy="0.123" DataCompleteness="100.00" EDS_R="0.15" EDS_resolution="1.50" EDS_resolution_low="22.60" Fo_Fc_correlation="0.964" IoverSigma="2.82(1.50A)" PDB-R="0.14" PDB-Rfree="0.16" PDB-deposition-date="2013-12-25" PDB-resolution="1.50" PDB-resolution-low="22.60" PDB-revision-date="2015-02-25" PDB-revision-number="2" RefmacVersion="5.8.0158" RestypesNotcheckedForBondAngleGeometry="LMR,SO4" TransNCS="The largest off-origin peak in the Patterson function is 3.61% of the height of the origin peak. No significant pseudotranslation is detected." TwinL="0.482" TwinL2="0.311" WilsonBaniso="[10.170,8.975,9.991,0.000,0.677,0.000]" WilsonBestimate="9.693" XMLcreationDate="May 19, 2020 -- 04:50 am BST" absolute-percentile-DCC_Rfree="96.2" absolute-percentile-clashscore="86.6" absolute-percentile-percent-RSRZ-outliers="83.9" absolute-percentile-percent-rama-outliers="100.0" absolute-percentile-percent-rota-outliers="83.6" acentric_outliers="0" angles_rmsz="0.60" attemptedValidationSteps="molprobity,validation-pack,xtriage,eds,mogul,buster-report,percentiles,writexml" bonds_rmsz="0.46" bulk_solvent_b="55.615" bulk_solvent_k="0.432" centric_outliers="0" clashscore="2.08" high-resol-relative-percentile-DCC_Rfree="1.5" high-resol-relative-percentile-clashscore="1.5" high-resol-relative-percentile-percent-RSRZ-outliers="1.5" high-resol-relative-percentile-percent-rama-outliers="1.5" high-resol-relative-percentile-percent-rota-outliers="1.5" low-resol-relative-percentile-DCC_Rfree="1.5" low-resol-relative-percentile-clashscore="1.5" low-resol-relative-percentile-percent-RSRZ-outliers="1.5" low-resol-relative-percentile-percent-rama-outliers="1.5" low-resol-relative-percentile-percent-rota-outliers="1.5" no-ligands-for-buster-report="yes" num-H-reduce="9583" num-free-reflections="13518" numMillerIndices="268492" numPDBids-absolute-percentile-DCC_Rfree="130704" numPDBids-absolute-percentile-clashscore="141614" numPDBids-absolute-percentile-percent-RSRZ-outliers="127900" numPDBids-absolute-percentile-percent-rama-outliers="138981" numPDBids-absolute-percentile-percent-rota-outliers="138945" numPDBids-relative-percentile-DCC_Rfree="2936" numPDBids-relative-percentile-clashscore="3144" numPDBids-relative-percentile-percent-RSRZ-outliers="2884" numPDBids-relative-percentile-percent-rama-outliers="3066" numPDBids-relative-percentile-percent-rota-outliers="3064" num_angles_rmsz="13343" num_bonds_rmsz="9907" pdbid="4O7M" percent-RSRZ-outliers="0.86" percent-free-reflections="5.03" percent-rama-outliers="0.00" percent-rota-outliers="0.68" percentilebins="all,1.5,xray" protein-DNA-RNA-entities="1" relative-percentile-DCC_Rfree="93.0" relative-percentile-clashscore="80.0" relative-percentile-percent-RSRZ-outliers="86.8" relative-percentile-percent-rama-outliers="100.0" relative-percentile-percent-rota-outliers="69.3" xtriage_input_columns="F_meas_au,F_meas_sigma_au"/>
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		<clash atom="CZ" cid="25" clashmag="0.46" dist="2.51"/>
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		<clash atom="HE2" cid="24" clashmag="0.48" dist="1.95"/>
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		<clash atom="CB" cid="22" clashmag="0.49" dist="3.07"/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="12.990" resname="HOH" resnum="582" rscc="0.989" rsr="0.053" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="16.850" resname="HOH" resnum="583" rscc="0.937" rsr="0.127" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="16.040" resname="HOH" resnum="584" rscc="0.991" rsr="0.049" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="15.420" resname="HOH" resnum="585" rscc="0.969" rsr="0.072" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="15.110" resname="HOH" resnum="586" rscc="0.991" rsr="0.040" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="15.640" resname="HOH" resnum="587" rscc="0.981" rsr="0.039" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="16.240" resname="HOH" resnum="588" rscc="0.981" rsr="0.127" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="15.030" resname="HOH" resnum="589" rscc="0.987" rsr="0.081" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="16.890" resname="HOH" resnum="590" rscc="0.980" rsr="0.065" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="14.010" resname="HOH" resnum="591" rscc="0.979" rsr="0.065" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="21.770" resname="HOH" resnum="592" rscc="0.972" rsr="0.078" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="14.500" resname="HOH" resnum="593" rscc="0.968" rsr="0.074" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="18.010" resname="HOH" resnum="594" rscc="0.976" rsr="0.049" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="14.440" resname="HOH" resnum="595" rscc="0.987" rsr="0.050" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="17.210" resname="HOH" resnum="596" rscc="0.963" rsr="0.081" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="13.060" resname="HOH" resnum="597" rscc="0.977" rsr="0.058" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="14.390" resname="HOH" resnum="598" rscc="0.986" rsr="0.078" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="15.280" resname="HOH" resnum="599" rscc="0.972" rsr="0.084" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="12.500" resname="HOH" resnum="600" rscc="0.959" rsr="0.108" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="14.080" resname="HOH" resnum="601" rscc="0.984" rsr="0.065" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="22.610" resname="HOH" resnum="602" rscc="0.932" rsr="0.115" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="14.460" resname="HOH" resnum="603" rscc="0.990" rsr="0.034" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="17.630" resname="HOH" resnum="604" rscc="0.973" rsr="0.064" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="17.050" resname="HOH" resnum="605" rscc="0.989" rsr="0.068" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="17.810" resname="HOH" resnum="606" rscc="0.962" rsr="0.066" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="17.390" resname="HOH" resnum="607" rscc="0.958" rsr="0.094" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="15.570" resname="HOH" resnum="608" rscc="0.975" rsr="0.058" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="20.210" resname="HOH" resnum="609" rscc="0.960" rsr="0.067" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="14.980" resname="HOH" resnum="610" rscc="0.991" rsr="0.037" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="16.380" resname="HOH" resnum="611" rscc="0.994" rsr="0.068" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="19.310" resname="HOH" resnum="612" rscc="0.990" rsr="0.068" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="17.480" resname="HOH" resnum="613" rscc="0.967" rsr="0.058" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="22.320" resname="HOH" resnum="614" rscc="0.941" rsr="0.078" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="14.820" resname="HOH" resnum="615" rscc="0.974" rsr="0.078" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="20.170" resname="HOH" resnum="616" rscc="0.978" rsr="0.057" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="21.890" resname="HOH" resnum="617" rscc="0.944" rsr="0.102" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="15.900" resname="HOH" resnum="618" rscc="0.989" rsr="0.046" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="14.900" resname="HOH" resnum="619" rscc="0.990" rsr="0.039" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="16.210" resname="HOH" resnum="620" rscc="0.986" rsr="0.048" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="16.410" resname="HOH" resnum="621" rscc="0.971" rsr="0.103" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="17.410" resname="HOH" resnum="622" rscc="0.978" rsr="0.074" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="21.250" resname="HOH" resnum="623" rscc="0.909" rsr="0.099" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="18.650" resname="HOH" resnum="624" rscc="0.973" rsr="0.048" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="16.010" resname="HOH" resnum="625" rscc="0.950" rsr="0.085" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="17.390" resname="HOH" resnum="626" rscc="0.985" rsr="0.057" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="21.970" resname="HOH" resnum="627" rscc="0.958" rsr="0.088" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="16.400" resname="HOH" resnum="628" rscc="0.958" rsr="0.057" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="19.250" resname="HOH" resnum="629" rscc="0.976" rsr="0.081" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="17.030" resname="HOH" resnum="630" rscc="0.973" rsr="0.105" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="18.570" resname="HOH" resnum="631" rscc="0.972" rsr="0.081" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="22.240" resname="HOH" resnum="632" rscc="0.927" rsr="0.097" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="16.880" resname="HOH" resnum="633" rscc="0.975" rsr="0.054" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="17.580" resname="HOH" resnum="634" rscc="0.976" rsr="0.053" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="18.070" resname="HOH" resnum="635" rscc="0.989" rsr="0.050" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="17.350" resname="HOH" resnum="636" rscc="0.982" rsr="0.051" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="17.690" resname="HOH" resnum="637" rscc="0.973" rsr="0.057" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="19.070" resname="HOH" resnum="638" rscc="0.953" rsr="0.119" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="17.560" resname="HOH" resnum="639" rscc="0.960" rsr="0.140" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="22.170" resname="HOH" resnum="640" rscc="0.963" rsr="0.059" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="21.350" resname="HOH" resnum="641" rscc="0.935" rsr="0.103" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="18.930" resname="HOH" resnum="642" rscc="0.957" rsr="0.068" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="17.750" resname="HOH" resnum="643" rscc="0.956" rsr="0.087" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="19.470" resname="HOH" resnum="644" rscc="0.976" rsr="0.054" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="17.800" resname="HOH" resnum="645" rscc="0.984" rsr="0.070" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="15.580" resname="HOH" resnum="646" rscc="0.992" rsr="0.100" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="18.130" resname="HOH" resnum="647" rscc="0.980" rsr="0.073" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="17.370" resname="HOH" resnum="648" rscc="0.939" rsr="0.137" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="18.750" resname="HOH" resnum="649" rscc="0.978" rsr="0.037" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="17.770" resname="HOH" resnum="650" rscc="0.994" rsr="0.109" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="18.410" resname="HOH" resnum="651" rscc="0.969" rsr="0.084" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="18.520" resname="HOH" resnum="652" rscc="0.976" rsr="0.123" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="16.850" resname="HOH" resnum="653" rscc="0.981" rsr="0.058" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="23.840" resname="HOH" resnum="654" rscc="0.910" rsr="0.182" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="19.260" resname="HOH" resnum="655" rscc="0.981" rsr="0.108" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="18.090" resname="HOH" resnum="656" rscc="0.962" rsr="0.066" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="27.440" resname="HOH" resnum="657" rscc="0.863" rsr="0.094" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="22.230" resname="HOH" resnum="658" rscc="0.975" rsr="0.071" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="21.600" resname="HOH" resnum="659" rscc="0.872" rsr="0.093" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="24.820" resname="HOH" resnum="660" rscc="0.968" rsr="0.081" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="19.160" resname="HOH" resnum="661" rscc="0.959" rsr="0.088" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="18.310" resname="HOH" resnum="662" rscc="0.935" rsr="0.112" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="22.160" resname="HOH" resnum="663" rscc="0.975" rsr="0.064" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="18.840" resname="HOH" resnum="664" rscc="0.974" rsr="0.072" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="29.780" resname="HOH" resnum="665" rscc="0.933" rsr="0.141" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="17.960" resname="HOH" resnum="666" rscc="0.981" rsr="0.048" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="20.710" resname="HOH" resnum="667" rscc="0.983" rsr="0.053" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="17.770" resname="HOH" resnum="668" rscc="0.982" rsr="0.123" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="18.040" resname="HOH" resnum="669" rscc="0.976" rsr="0.076" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="24.470" resname="HOH" resnum="670" rscc="0.963" rsr="0.080" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="20.160" resname="HOH" resnum="671" rscc="0.983" rsr="0.143" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="19.300" resname="HOH" resnum="672" rscc="0.976" rsr="0.108" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="19.870" resname="HOH" resnum="673" rscc="0.979" rsr="0.051" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="18.550" resname="HOH" resnum="674" rscc="0.972" rsr="0.080" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="23.380" resname="HOH" resnum="675" rscc="0.953" rsr="0.073" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="32.410" resname="HOH" resnum="676" rscc="0.915" rsr="0.106" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="18.280" resname="HOH" resnum="677" rscc="0.983" rsr="0.065" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="19.760" resname="HOH" resnum="678" rscc="0.944" rsr="0.107" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="22.430" resname="HOH" resnum="679" rscc="0.961" rsr="0.115" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="23.630" resname="HOH" resnum="680" rscc="0.924" rsr="0.108" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="22.010" resname="HOH" resnum="681" rscc="0.935" rsr="0.149" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="26.820" resname="HOH" resnum="682" rscc="0.931" rsr="0.117" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="23.920" resname="HOH" resnum="683" rscc="0.974" rsr="0.077" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="19.710" resname="HOH" resnum="684" rscc="0.945" rsr="0.100" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="18.330" resname="HOH" resnum="685" rscc="0.983" rsr="0.054" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="23.230" resname="HOH" resnum="686" rscc="0.905" rsr="0.085" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="19.870" resname="HOH" resnum="687" rscc="0.969" rsr="0.055" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="20.980" resname="HOH" resnum="688" rscc="0.920" rsr="0.100" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="22.480" resname="HOH" resnum="689" rscc="0.971" rsr="0.227" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="22.060" resname="HOH" resnum="690" rscc="0.954" rsr="0.072" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="22.630" resname="HOH" resnum="691" rscc="0.978" rsr="0.050" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="25.160" resname="HOH" resnum="692" rscc="0.937" rsr="0.073" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="17.630" resname="HOH" resnum="693" rscc="0.979" rsr="0.048" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="19.390" resname="HOH" resnum="694" rscc="0.975" rsr="0.057" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="18.030" resname="HOH" resnum="695" rscc="0.981" rsr="0.061" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="23.580" resname="HOH" resnum="696" rscc="0.952" rsr="0.173" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="22.250" resname="HOH" resnum="697" rscc="0.938" rsr="0.270" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="24.920" resname="HOH" resnum="698" rscc="0.957" rsr="0.193" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="21.590" resname="HOH" resnum="699" rscc="0.965" rsr="0.076" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="26.520" resname="HOH" resnum="700" rscc="0.959" rsr="0.065" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="20.940" resname="HOH" resnum="701" rscc="0.930" rsr="0.104" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="21.990" resname="HOH" resnum="702" rscc="0.961" rsr="0.081" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="28.670" resname="HOH" resnum="703" rscc="0.793" rsr="0.108" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="25.400" resname="HOH" resnum="704" rscc="0.956" rsr="0.080" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="24.310" resname="HOH" resnum="705" rscc="0.916" rsr="0.130" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="22.460" resname="HOH" resnum="706" rscc="0.965" rsr="0.102" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="17.390" resname="HOH" resnum="707" rscc="0.955" rsr="0.104" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="22.800" resname="HOH" resnum="708" rscc="0.938" rsr="0.124" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="21.730" resname="HOH" resnum="709" rscc="0.953" rsr="0.060" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="35.250" resname="HOH" resnum="710" rscc="0.910" rsr="0.136" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="28.130" resname="HOH" resnum="711" rscc="0.969" rsr="0.131" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="22.760" resname="HOH" resnum="712" rscc="0.979" rsr="0.186" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="23.660" resname="HOH" resnum="713" rscc="0.957" rsr="0.067" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="24.450" resname="HOH" resnum="714" rscc="0.957" rsr="0.101" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="25.560" resname="HOH" resnum="715" rscc="0.962" rsr="0.126" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="29.660" resname="HOH" resnum="716" rscc="0.926" rsr="0.107" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="24.200" resname="HOH" resnum="717" rscc="0.946" rsr="0.080" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="26.290" resname="HOH" resnum="718" rscc="0.954" rsr="0.098" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="24.120" resname="HOH" resnum="719" rscc="0.974" rsr="0.116" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="33.680" resname="HOH" resnum="720" rscc="0.828" rsr="0.122" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="28.970" resname="HOH" resnum="721" rscc="0.957" rsr="0.260" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="22.290" resname="HOH" resnum="722" rscc="0.938" rsr="0.137" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="24.260" resname="HOH" resnum="723" rscc="0.953" rsr="0.081" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="22.490" resname="HOH" resnum="724" rscc="0.961" rsr="0.079" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="35.340" resname="HOH" resnum="725" rscc="0.865" rsr="0.169" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="21.610" resname="HOH" resnum="726" rscc="0.953" rsr="0.096" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="39.650" resname="HOH" resnum="727" rscc="0.842" rsr="0.097" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="27.560" resname="HOH" resnum="728" rscc="0.891" rsr="0.069" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="21.710" resname="HOH" resnum="729" rscc="0.980" rsr="0.081" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="27.770" resname="HOH" resnum="730" rscc="0.836" rsr="0.094" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="26.550" resname="HOH" resnum="731" rscc="0.935" rsr="0.092" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="32.620" resname="HOH" resnum="732" rscc="0.814" rsr="0.161" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="22.490" resname="HOH" resnum="733" rscc="0.978" rsr="0.179" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="21.210" resname="HOH" resnum="734" rscc="0.976" rsr="0.183" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="30.210" resname="HOH" resnum="735" rscc="0.932" rsr="0.082" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="29.450" resname="HOH" resnum="736" rscc="0.965" rsr="0.102" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="24.360" resname="HOH" resnum="737" rscc="0.971" rsr="0.063" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="26.700" resname="HOH" resnum="738" rscc="0.943" rsr="0.086" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="28.000" resname="HOH" resnum="739" rscc="0.954" rsr="0.097" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="25.140" resname="HOH" resnum="740" rscc="0.924" rsr="0.121" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="34.150" resname="HOH" resnum="741" rscc="0.906" rsr="0.119" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="19.590" resname="HOH" resnum="742" rscc="0.977" rsr="0.071" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="24.570" resname="HOH" resnum="743" rscc="0.948" rsr="0.072" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="27.990" resname="HOH" resnum="744" rscc="0.953" rsr="0.074" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="26.280" resname="HOH" resnum="745" rscc="0.938" rsr="0.122" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="25.730" resname="HOH" resnum="746" rscc="0.917" rsr="0.093" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="33.400" resname="HOH" resnum="747" rscc="0.979" rsr="0.220" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="26.910" resname="HOH" resnum="748" rscc="0.983" rsr="0.073" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="24.780" resname="HOH" resnum="749" rscc="0.937" rsr="0.144" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="37.690" resname="HOH" resnum="750" rscc="0.855" rsr="0.315" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="28.490" resname="HOH" resnum="751" rscc="0.934" rsr="0.094" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="25.690" resname="HOH" resnum="752" rscc="0.958" rsr="0.113" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="35.650" resname="HOH" resnum="753" rscc="0.939" rsr="0.199" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="28.630" resname="HOH" resnum="754" rscc="0.959" rsr="0.064" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="28.800" resname="HOH" resnum="755" rscc="0.915" rsr="0.201" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="33.690" resname="HOH" resnum="756" rscc="0.960" rsr="0.159" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="29.030" resname="HOH" resnum="757" rscc="0.953" rsr="0.150" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="29.440" resname="HOH" resnum="758" rscc="0.939" rsr="0.179" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="31.100" resname="HOH" resnum="759" rscc="0.932" rsr="0.074" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="24.860" resname="HOH" resnum="760" rscc="0.965" rsr="0.061" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="28.130" resname="HOH" resnum="761" rscc="0.938" rsr="0.093" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="33.120" resname="HOH" resnum="762" rscc="0.901" rsr="0.275" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="30.630" resname="HOH" resnum="763" rscc="0.919" rsr="0.099" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="22.580" resname="HOH" resnum="764" rscc="0.879" rsr="0.107" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="24.880" resname="HOH" resnum="765" rscc="0.964" rsr="0.103" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="34.050" resname="HOH" resnum="766" rscc="0.861" rsr="0.102" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="33.550" resname="HOH" resnum="767" rscc="0.911" rsr="0.280" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="36.740" resname="HOH" resnum="768" rscc="0.917" rsr="0.128" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="37.870" resname="HOH" resnum="769" rscc="0.804" rsr="0.177" said="J" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="22.450" resname="HOH" resnum="798" rscc="0.977" rsr="0.079" said="J" seq="."/>
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		<clash atom="O" cid="3" clashmag="0.90" dist="2.04"/>
	</ModelledSubgroup>
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		<symm-clash atom="O" clashmag="0.03" dist="2.17" scid="1" symop="1_555"/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="35.170" resname="HOH" resnum="905" rscc="0.911" rsr="0.159" said="J" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="37.810" resname="HOH" resnum="957" rscc="0.835" rsr="0.177" said="J" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="31.950" resname="HOH" resnum="959" rscc="0.789" rsr="0.133" said="J" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="41.850" resname="HOH" resnum="961" rscc="0.810" rsr="0.305" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="43.020" resname="HOH" resnum="962" rscc="0.764" rsr="0.338" said="J" seq=".">
		<clash atom="O" cid="21" clashmag="0.49" dist="2.45"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="39.100" resname="HOH" resnum="963" rscc="0.823" rsr="0.155" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="39.440" resname="HOH" resnum="964" rscc="0.901" rsr="0.314" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="34.370" resname="HOH" resnum="965" rscc="0.800" rsr="0.131" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="43.910" resname="HOH" resnum="966" rscc="0.820" rsr="0.080" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="39.510" resname="HOH" resnum="967" rscc="0.882" rsr="0.294" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="37.310" resname="HOH" resnum="968" rscc="0.896" rsr="0.121" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="40.130" resname="HOH" resnum="969" rscc="0.932" rsr="0.184" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="36.090" resname="HOH" resnum="970" rscc="0.872" rsr="0.254" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="34.540" resname="HOH" resnum="971" rscc="0.891" rsr="0.220" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="30.530" resname="HOH" resnum="972" rscc="0.926" rsr="0.169" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="34.480" resname="HOH" resnum="973" rscc="0.808" rsr="0.240" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="33.240" resname="HOH" resnum="974" rscc="0.950" rsr="0.412" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="31.170" resname="HOH" resnum="975" rscc="0.874" rsr="0.165" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="38.240" resname="HOH" resnum="976" rscc="0.856" rsr="0.255" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="38.020" resname="HOH" resnum="977" rscc="0.865" rsr="0.148" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="34.570" resname="HOH" resnum="978" rscc="0.927" rsr="0.111" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="39.830" resname="HOH" resnum="979" rscc="0.858" rsr="0.162" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="39.400" resname="HOH" resnum="980" rscc="0.954" rsr="0.259" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="24.670" resname="HOH" resnum="981" rscc="0.862" rsr="0.141" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="35.980" resname="HOH" resnum="982" rscc="0.717" rsr="0.330" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="41.450" resname="HOH" resnum="983" rscc="0.824" rsr="0.335" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="40.490" resname="HOH" resnum="984" rscc="0.758" rsr="0.267" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="41.730" resname="HOH" resnum="985" rscc="0.904" rsr="0.413" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="38.430" resname="HOH" resnum="986" rscc="0.949" rsr="0.418" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="35.100" resname="HOH" resnum="987" rscc="0.913" rsr="0.176" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="35.520" resname="HOH" resnum="988" rscc="0.862" rsr="0.298" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="39.210" resname="HOH" resnum="989" rscc="0.918" rsr="0.100" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="45.330" resname="HOH" resnum="990" rscc="0.681" rsr="0.133" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="37.680" resname="HOH" resnum="991" rscc="0.902" rsr="0.214" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="44.120" resname="HOH" resnum="992" rscc="0.884" rsr="0.124" said="J" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="42.430" resname="HOH" resnum="994" rscc="0.706" rsr="0.136" said="J" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="31.710" resname="HOH" resnum="998" rscc="0.884" rsr="0.123" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="36.530" resname="HOH" resnum="999" rscc="0.865" rsr="0.186" said="J" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="41.040" resname="HOH" resnum="1008" rscc="0.915" rsr="0.124" said="J" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="34.490" resname="HOH" resnum="1010" rscc="0.839" rsr="0.442" said="J" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="42.800" resname="HOH" resnum="1012" rscc="0.865" rsr="0.218" said="J" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="22.970" resname="HOH" resnum="1017" rscc="0.985" rsr="0.058" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="22.530" resname="HOH" resnum="1018" rscc="0.917" rsr="0.107" said="J" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="41.420" resname="HOH" resnum="1020" rscc="0.785" rsr="0.099" said="J" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="39.230" resname="HOH" resnum="1022" rscc="0.893" rsr="0.329" said="J" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="42.020" resname="HOH" resnum="1024" rscc="0.785" rsr="0.099" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="32.890" resname="HOH" resnum="1025" rscc="0.883" rsr="0.113" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="38.360" resname="HOH" resnum="1026" rscc="0.763" rsr="0.199" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="29.290" resname="HOH" resnum="1027" rscc="0.878" rsr="0.120" said="J" seq=".">
		<clash atom="O" cid="12" clashmag="0.60" dist="2.00"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="26.400" resname="HOH" resnum="1028" rscc="0.924" rsr="0.165" said="J" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="33.830" resname="HOH" resnum="1044" rscc="0.911" rsr="0.295" said="J" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="33.230" resname="HOH" resnum="1046" rscc="0.906" rsr="0.365" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="30.150" resname="HOH" resnum="1047" rscc="0.844" rsr="0.157" said="J" seq="."/>
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	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="11" owab="13.720" phi="-63.3" psi="-46.6" rama="Favored" resname="LEU" resnum="327" rota="mt" rscc="0.976" rsr="0.085" rsrz="-0.117" said="B" seq="319"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="11" owab="11.160" phi="-62.6" psi="-40.5" rama="Favored" resname="ILE" resnum="328" rota="mt" rscc="0.987" rsr="0.075" rsrz="-0.424" said="B" seq="320"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="4" owab="13.180" phi="-61.2" psi="-38.7" rama="Favored" resname="ASP" resnum="329" rota="m-20" rscc="0.974" rsr="0.063" rsrz="-0.607" said="B" seq="321"/>
	<ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="5" owab="9.820" phi="-66.6" psi="-41.5" rama="Favored" resname="ALA" resnum="330" rscc="0.980" rsr="0.063" rsrz="-0.473" said="B" seq="322"/>
	<ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="5" owab="9.520" phi="-63.8" psi="-42.7" rama="Favored" resname="ALA" resnum="331" rscc="0.991" rsr="0.096" rsrz="0.336" said="B" seq="323"/>
	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="9" owab="11.060" phi="-58.7" psi="-44.7" rama="Favored" resname="VAL" resnum="332" rota="t" rscc="0.977" rsr="0.059" rsrz="-0.811" said="B" seq="324"/>
	<ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="5" owab="10.590" phi="-59.7" psi="-25.4" rama="Favored" resname="ALA" resnum="333" rscc="0.981" rsr="0.055" rsrz="-0.669" said="B" seq="325"/>
	<ModelledSubgroup NatomsEDS="6" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="5" owab="10.310" phi="-67.6" psi="-15.6" rama="Favored" resname="SER" resnum="334" rota="p" rscc="0.984" rsr="0.041" rsrz="-0.944" said="B" seq="326"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="6" owab="13.410" phi="-72.5" psi="-23.2" rama="Favored" resname="ASN" resnum="335" rota="m-20" rscc="0.977" rsr="0.063" rsrz="-0.563" said="B" seq="327">
		<clash atom="O" cid="30" clashmag="0.43" dist="2.19"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="6" owab="37.890" resname="GLU" resnum="336" rota="mt-10" rscc="0.788" rsr="0.379" rsrz="4.042" said="B" seq="328">
		<clash atom="HB2" cid="30" clashmag="0.43" dist="2.19"/>
		<clash atom="HG2" cid="26" clashmag="0.46" dist="2.15"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="B" ent="3" icode=" " model="1" mogul_angles_rmsz="0.11" mogul_bonds_rmsz="0.18" mogul_rmsz_numangles="6" mogul_rmsz_numbonds="4" owab="35.350" resname="SO4" resnum="401" rscc="0.951" rsr="0.208" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="B" ent="2" icode=" " model="1" mogul_angles_rmsz="0.79" mogul_bonds_rmsz="2.14" mogul_rmsz_numangles="3" mogul_rmsz_numbonds="2" num-H-reduce="4" owab="4.790" resname="LMR" resnum="402" rscc="0.992" rsr="0.059" said="G" seq=".">
		<mog-bond-outlier Zscore="-2.61" atoms="C3,C2" mean="1.53" mindiff="0.01" numobs="25" obsval="1.49" stdev="0.01"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="4.590" resname="HOH" resnum="501" rscc="0.997" rsr="0.064" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="4.830" resname="HOH" resnum="502" rscc="0.998" rsr="0.097" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="3.880" resname="HOH" resnum="503" rscc="0.997" rsr="0.098" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="4.830" resname="HOH" resnum="504" rscc="0.998" rsr="0.117" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="4.060" resname="HOH" resnum="505" rscc="0.997" rsr="0.042" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="4.570" resname="HOH" resnum="506" rscc="0.997" rsr="0.086" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="6.570" resname="HOH" resnum="507" rscc="0.996" rsr="0.073" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="5.620" resname="HOH" resnum="508" rscc="0.996" rsr="0.110" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="6.880" resname="HOH" resnum="509" rscc="0.998" rsr="0.120" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="7.470" resname="HOH" resnum="510" rscc="0.994" rsr="0.105" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="7.300" resname="HOH" resnum="511" rscc="0.997" rsr="0.069" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="4.640" resname="HOH" resnum="512" rscc="0.995" rsr="0.076" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="7.470" resname="HOH" resnum="513" rscc="0.993" rsr="0.058" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="5.620" resname="HOH" resnum="514" rscc="0.997" rsr="0.102" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="3.940" resname="HOH" resnum="515" rscc="0.992" rsr="0.086" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="6.210" resname="HOH" resnum="516" rscc="0.995" rsr="0.071" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="6.040" resname="HOH" resnum="517" rscc="0.996" rsr="0.097" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="8.270" resname="HOH" resnum="518" rscc="0.994" rsr="0.080" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="8.020" resname="HOH" resnum="519" rscc="0.997" rsr="0.036" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="6.350" resname="HOH" resnum="520" rscc="0.991" rsr="0.066" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="8.940" resname="HOH" resnum="521" rscc="0.991" rsr="0.120" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="12.000" resname="HOH" resnum="522" rscc="0.995" rsr="0.073" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="6.200" resname="HOH" resnum="523" rscc="0.994" rsr="0.078" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="7.390" resname="HOH" resnum="524" rscc="0.999" rsr="0.047" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="6.750" resname="HOH" resnum="525" rscc="0.994" rsr="0.106" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="6.260" resname="HOH" resnum="526" rscc="0.997" rsr="0.074" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="7.740" resname="HOH" resnum="527" rscc="0.995" rsr="0.115" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="6.690" resname="HOH" resnum="528" rscc="0.994" rsr="0.088" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="7.000" resname="HOH" resnum="529" rscc="0.995" rsr="0.076" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="7.490" resname="HOH" resnum="530" rscc="0.997" rsr="0.044" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="6.230" resname="HOH" resnum="531" rscc="0.997" rsr="0.066" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="9.320" resname="HOH" resnum="532" rscc="0.994" rsr="0.054" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="8.650" resname="HOH" resnum="533" rscc="0.997" rsr="0.062" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="8.420" resname="HOH" resnum="534" rscc="0.986" rsr="0.066" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="9.090" resname="HOH" resnum="535" rscc="0.992" rsr="0.095" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="10.360" resname="HOH" resnum="536" rscc="0.990" rsr="0.042" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="8.230" resname="HOH" resnum="537" rscc="0.996" rsr="0.124" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="10.090" resname="HOH" resnum="538" rscc="0.992" rsr="0.033" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="10.790" resname="HOH" resnum="539" rscc="0.982" rsr="0.108" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="8.700" resname="HOH" resnum="540" rscc="0.978" rsr="0.074" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="8.310" resname="HOH" resnum="541" rscc="0.992" rsr="0.099" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="8.600" resname="HOH" resnum="542" rscc="0.995" rsr="0.038" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="10.640" resname="HOH" resnum="543" rscc="0.993" rsr="0.103" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="10.740" resname="HOH" resnum="544" rscc="0.984" rsr="0.047" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="9.410" resname="HOH" resnum="545" rscc="0.991" rsr="0.050" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="10.340" resname="HOH" resnum="546" rscc="0.988" rsr="0.061" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="8.160" resname="HOH" resnum="547" rscc="0.996" rsr="0.052" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="10.290" resname="HOH" resnum="548" rscc="0.995" rsr="0.033" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="11.570" resname="HOH" resnum="549" rscc="0.984" rsr="0.107" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="10.270" resname="HOH" resnum="550" rscc="0.991" rsr="0.126" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="10.700" resname="HOH" resnum="551" rscc="0.994" rsr="0.076" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="10.230" resname="HOH" resnum="552" rscc="0.995" rsr="0.058" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="10.780" resname="HOH" resnum="553" rscc="0.991" rsr="0.099" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="9.900" resname="HOH" resnum="554" rscc="0.994" rsr="0.098" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="12.420" resname="HOH" resnum="555" rscc="0.992" rsr="0.035" said="K" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="13.170" resname="HOH" resnum="557" rscc="0.963" rsr="0.096" said="K" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="13.550" resname="HOH" resnum="559" rscc="0.990" rsr="0.060" said="K" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="10.840" resname="HOH" resnum="561" rscc="0.991" rsr="0.079" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="9.980" resname="HOH" resnum="562" rscc="0.989" rsr="0.059" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="11.830" resname="HOH" resnum="563" rscc="0.988" rsr="0.046" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="11.840" resname="HOH" resnum="564" rscc="0.991" rsr="0.045" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="11.710" resname="HOH" resnum="565" rscc="0.989" rsr="0.064" said="K" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="11.700" resname="HOH" resnum="567" rscc="0.981" rsr="0.065" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="14.970" resname="HOH" resnum="568" rscc="0.956" rsr="0.094" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="13.960" resname="HOH" resnum="569" rscc="0.993" rsr="0.077" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="13.850" resname="HOH" resnum="570" rscc="0.982" rsr="0.043" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="14.140" resname="HOH" resnum="571" rscc="0.986" rsr="0.064" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="12.010" resname="HOH" resnum="572" rscc="0.994" rsr="0.033" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="13.940" resname="HOH" resnum="573" rscc="0.983" rsr="0.054" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="10.960" resname="HOH" resnum="574" rscc="0.988" rsr="0.064" said="K" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="13.700" resname="HOH" resnum="582" rscc="0.965" rsr="0.111" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="13.380" resname="HOH" resnum="583" rscc="0.981" rsr="0.072" said="K" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="14.820" resname="HOH" resnum="588" rscc="0.985" rsr="0.066" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="15.170" resname="HOH" resnum="589" rscc="0.973" rsr="0.086" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="11.160" resname="HOH" resnum="590" rscc="0.982" rsr="0.067" said="K" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="15.210" resname="HOH" resnum="597" rscc="0.989" rsr="0.051" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="16.860" resname="HOH" resnum="598" rscc="0.984" rsr="0.096" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="17.100" resname="HOH" resnum="599" rscc="0.956" rsr="0.081" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="15.500" resname="HOH" resnum="600" rscc="0.978" rsr="0.071" said="K" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="16.280" resname="HOH" resnum="602" rscc="0.986" rsr="0.048" said="K" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="16.340" resname="HOH" resnum="605" rscc="0.981" rsr="0.089" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="16.040" resname="HOH" resnum="606" rscc="0.905" rsr="0.084" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="17.350" resname="HOH" resnum="607" rscc="0.983" rsr="0.058" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="16.380" resname="HOH" resnum="608" rscc="0.989" rsr="0.071" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="17.820" resname="HOH" resnum="609" rscc="0.952" rsr="0.088" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="15.680" resname="HOH" resnum="610" rscc="0.993" rsr="0.070" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="15.630" resname="HOH" resnum="611" rscc="0.980" rsr="0.059" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="15.080" resname="HOH" resnum="612" rscc="0.987" rsr="0.036" said="K" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="17.680" resname="HOH" resnum="615" rscc="0.981" rsr="0.074" said="K" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="19.240" resname="HOH" resnum="618" rscc="0.979" rsr="0.060" said="K" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="15.180" resname="HOH" resnum="621" rscc="0.962" rsr="0.061" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="17.320" resname="HOH" resnum="622" rscc="0.994" rsr="0.031" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="19.330" resname="HOH" resnum="623" rscc="0.972" rsr="0.087" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="16.220" resname="HOH" resnum="624" rscc="0.990" rsr="0.050" said="K" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="15.440" resname="HOH" resnum="629" rscc="0.972" rsr="0.062" said="K" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="19.210" resname="HOH" resnum="692" rscc="0.992" rsr="0.044" said="K" seq="."/>
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		<clash atom="O" cid="26" clashmag="0.46" dist="2.15"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="20.360" resname="HOH" resnum="694" rscc="0.964" rsr="0.087" said="K" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="24.590" resname="HOH" resnum="696" rscc="0.961" rsr="0.052" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="22.440" resname="HOH" resnum="697" rscc="0.947" rsr="0.078" said="K" seq="."/>
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		<clash atom="O" cid="9" clashmag="0.70" dist="2.24"/>
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		<clash atom="O" cid="15" clashmag="0.54" dist="2.18"/>
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		<clash atom="O" cid="32" clashmag="0.42" dist="2.48"/>
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		<symm-clash atom="O" clashmag="0.04" dist="2.16" scid="0" symop="1_555"/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="33.610" resname="HOH" resnum="971" rscc="0.880" rsr="0.138" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="39.800" resname="HOH" resnum="972" rscc="0.776" rsr="0.119" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="36.120" resname="HOH" resnum="973" rscc="0.882" rsr="0.463" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="38.620" resname="HOH" resnum="974" rscc="0.829" rsr="0.176" said="K" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="40.330" resname="HOH" resnum="978" rscc="0.868" rsr="0.096" said="K" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="37.560" resname="HOH" resnum="980" rscc="0.862" rsr="0.125" said="K" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="40.330" resname="HOH" resnum="982" rscc="0.830" rsr="0.189" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="34.680" resname="HOH" resnum="983" rscc="0.886" rsr="0.074" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="37.190" resname="HOH" resnum="984" rscc="0.925" rsr="0.276" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="34.590" resname="HOH" resnum="985" rscc="0.895" rsr="0.144" said="K" seq="."/>
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		<clash atom="O" cid="4" clashmag="0.81" dist="2.13"/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="31.120" resname="HOH" resnum="987" rscc="0.887" rsr="0.152" said="K" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="37.320" resname="HOH" resnum="1002" rscc="0.933" rsr="0.141" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="38.950" resname="HOH" resnum="1003" rscc="0.900" rsr="0.368" said="K" seq=".">
		<clash atom="O" cid="7" clashmag="0.77" dist="2.18"/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="41.470" resname="HOH" resnum="1004" rscc="0.773" rsr="0.213" said="K" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="37.430" resname="HOH" resnum="1011" rscc="0.840" rsr="0.108" said="K" seq="."/>
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		<clash atom="O" cid="5" clashmag="0.79" dist="2.16"/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="26.760" resname="HOH" resnum="1042" rscc="0.900" rsr="0.271" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="42.900" resname="HOH" resnum="1043" rscc="0.747" rsr="0.194" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="35.040" resname="HOH" resnum="1044" rscc="0.774" rsr="0.169" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="37.060" resname="HOH" resnum="1045" rscc="0.787" rsr="0.179" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="32.030" resname="HOH" resnum="1046" rscc="0.965" rsr="0.092" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="36.990" resname="HOH" resnum="1047" rscc="0.804" rsr="0.136" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="33.500" resname="HOH" resnum="1048" rscc="0.910" rsr="0.155" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="39.760" resname="HOH" resnum="1049" rscc="0.762" rsr="0.197" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="42.250" resname="HOH" resnum="1050" rscc="0.911" rsr="0.135" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="37.780" resname="HOH" resnum="1051" rscc="0.836" rsr="0.141" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="33.440" resname="HOH" resnum="1052" rscc="0.909" rsr="0.137" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="36.800" resname="HOH" resnum="1053" rscc="0.843" rsr="0.119" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="45.240" resname="HOH" resnum="1054" rscc="0.821" rsr="0.264" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="32.150" resname="HOH" resnum="1055" rscc="0.858" rsr="0.131" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="36.480" resname="HOH" resnum="1056" rscc="0.834" rsr="0.250" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="44.520" resname="HOH" resnum="1057" rscc="0.517" rsr="0.278" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="37.910" resname="HOH" resnum="1058" rscc="0.841" rsr="0.524" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="37.590" resname="HOH" resnum="1059" rscc="0.858" rsr="0.176" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="42.550" resname="HOH" resnum="1060" rscc="0.861" rsr="0.254" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="40.570" resname="HOH" resnum="1061" rscc="0.818" rsr="0.175" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="33.980" resname="HOH" resnum="1062" rscc="0.934" rsr="0.244" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="34.790" resname="HOH" resnum="1063" rscc="0.822" rsr="0.141" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="33.990" resname="HOH" resnum="1064" rscc="0.869" rsr="0.293" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="33.970" resname="HOH" resnum="1065" rscc="0.832" rsr="0.271" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="33.550" resname="HOH" resnum="1066" rscc="0.816" rsr="0.361" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="35.220" resname="HOH" resnum="1067" rscc="0.816" rsr="0.372" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="35.400" resname="HOH" resnum="1068" rscc="0.657" rsr="0.275" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="34.830" resname="HOH" resnum="1069" rscc="0.823" rsr="0.246" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="34.140" resname="HOH" resnum="1070" rscc="0.951" rsr="0.206" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="33.260" resname="HOH" resnum="1071" rscc="0.865" rsr="0.262" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="33.420" resname="HOH" resnum="1072" rscc="0.936" rsr="0.082" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="35.150" resname="HOH" resnum="1073" rscc="0.874" rsr="0.123" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="34.500" resname="HOH" resnum="1074" rscc="0.927" rsr="0.335" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="30.220" resname="HOH" resnum="1075" rscc="0.912" rsr="0.125" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="33.490" resname="HOH" resnum="1076" rscc="0.912" rsr="0.242" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="27.820" resname="HOH" resnum="1077" rscc="0.902" rsr="0.141" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="32.680" resname="HOH" resnum="1078" rscc="0.921" rsr="0.235" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="32.580" resname="HOH" resnum="1079" rscc="0.947" rsr="0.140" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="31.850" resname="HOH" resnum="1080" rscc="0.850" rsr="0.097" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="31.900" resname="HOH" resnum="1081" rscc="0.929" rsr="0.283" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="16.810" resname="HOH" resnum="1082" rscc="0.962" rsr="0.082" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="C" ent="1" icode=" " model="1" num-H-reduce="4" owab="32.130" resname="ALA" resnum="32" rscc="0.890" rsr="0.203" rsrz="2.958" said="C" seq="24"/>
	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="C" ent="1" icode=" " model="1" num-H-reduce="7" owab="22.150" phi="-69.4" psi="150.3" rama="Favored" resname="PRO" resnum="33" rota="Cg_endo" rscc="0.962" rsr="0.105" rsrz="0.415" said="C" seq="25"/>
	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="C" ent="1" icode=" " model="1" num-H-reduce="7" owab="15.730" phi="-73.8" psi="123.9" rama="Favored" resname="THR" resnum="34" rota="m" rscc="0.976" rsr="0.080" rsrz="-0.088" said="C" seq="26"/>
	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="C" ent="1" icode=" " model="1" num-H-reduce="6" owab="16.270" phi="-94.0" psi="131.2" rama="Favored" resname="GLU" resnum="35" rota="mt-10" rscc="0.939" rsr="0.102" rsrz="-0.246" said="C" seq="27"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="C" ent="1" icode=" " model="1" num-H-reduce="11" owab="11.060" phi="-126.1" psi="137.1" rama="Favored" resname="ILE" resnum="36" rota="pt" rscc="0.959" rsr="0.118" rsrz="0.937" said="C" seq="28"/>
	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="C" ent="1" icode=" " model="1" num-H-reduce="13" owab="5.920" phi="-104.8" psi="138.6" rama="Favored" resname="LYS" resnum="37" rota="mttt" rscc="0.989" rsr="0.066" rsrz="-0.908" said="C" seq="29"/>
	<ModelledSubgroup NatomsEDS="11" altcode=" " avgoccu="1.000" chain="C" ent="1" icode=" " model="1" num-H-reduce="9" owab="8.840" phi="-120.5" psi="122.1" rama="Favored" resname="PHE" resnum="38" rota="t80" rscc="0.986" rsr="0.084" rsrz="0.086" said="C" seq="30">
		<clash atom="HZ" cid="35" clashmag="0.41" dist="1.85"/>
		<clash atom="CZ" cid="13" clashmag="0.58" dist="2.38"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="12" altcode="A" avgoccu="1.000" chain="C" ent="1" icode=" " model="1" num-H-reduce="5" owab="4.600" phi="-117.4" psi="140.8" rama="Favored" resname="SER" resnum="39" rota="p" rscc="0.986" rsr="0.064" rsrz="-0.482" said="C" seq="31"/>
	<ModelledSubgroup NatomsEDS="12" altcode="B" avgoccu="1.000" chain="C" ent="1" icode=" " model="1" num-H-reduce="5" owab="4.600" phi="-117.4" psi="140.8" rama="Favored" resname="SER" resnum="39" rota="p" rscc="0.986" rsr="0.064" rsrz="-0.482" said="C" seq="31"/>
	<ModelledSubgroup NatomsEDS="10" altcode="A" avgoccu="1.000" chain="C" ent="1" icode=" " model="1" owab="5.320" phi="-155.6" psi="173.8" rama="Favored" resname="HIS" resnum="40" rota="p80" rscc="0.991" rsr="0.043" rsrz="-0.909" said="C" seq="32"/>
	<ModelledSubgroup NatomsEDS="10" altcode="B" avgoccu="1.000" chain="C" ent="1" icode=" " model="1" owab="5.320" phi="-155.6" psi="173.8" rama="Favored" resname="HIS" resnum="40" rota="p80" rscc="0.991" rsr="0.043" rsrz="-0.909" said="C" seq="32"/>
	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="C" ent="1" icode=" " model="1" num-H-reduce="9" owab="4.670" phi="-105.4" psi="-5.2" rama="Favored" resname="VAL" resnum="41" rota="m" rscc="0.991" rsr="0.043" rsrz="-1.291" said="C" seq="33"/>
	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="C" ent="1" icode=" " model="1" num-H-reduce="9" owab="4.640" phi="-97.0" psi="169.3" rama="Allowed" resname="VAL" resnum="42" rota="m" rscc="0.995" rsr="0.037" rsrz="-1.471" said="C" seq="34"/>
	<ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="C" ent="1" icode=" " model="1" num-H-reduce="5" owab="7.050" phi="-67.7" psi="162.2" rama="Favored" resname="ALA" resnum="43" rscc="0.989" rsr="0.037" rsrz="-1.110" said="C" seq="35"/>
	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="C" ent="1" icode=" " model="1" num-H-reduce="6" owab="13.250" phi="-68.1" psi="-38.3" rama="Favored" resname="GLU" resnum="44" rota="mt-10" rscc="0.963" rsr="0.093" rsrz="-0.385" said="C" seq="36"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="C" ent="1" icode=" " model="1" num-H-reduce="6" owab="9.620" phi="-89.9" psi="68.0" rama="Favored" resname="ASN" resnum="45" rota="t30" rscc="0.981" rsr="0.068" rsrz="-0.467" said="C" seq="37"/>
	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="C" ent="1" icode=" " model="1" num-H-reduce="7" owab="6.280" phi="-151.0" psi="167.4" rama="Favored" resname="THR" resnum="46" rota="p" rscc="0.994" rsr="0.038" rsrz="-1.088" said="C" seq="38"/>
	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="C" ent="1" icode=" " model="1" num-H-reduce="7" owab="6.570" phi="-59.8" psi="-44.4" rama="Favored" resname="PRO" resnum="47" rota="Cg_endo" rscc="0.988" rsr="0.046" rsrz="-0.887" said="C" seq="39"/>
	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="C" ent="1" icode=" " model="1" num-H-reduce="13" owab="4.810" phi="-71.8" psi="-38.4" rama="Favored" resname="LYS" resnum="48" rota="ttpt" rscc="0.988" rsr="0.047" rsrz="-1.226" said="C" seq="40"/>
	<ModelledSubgroup NatomsEDS="4" altcode=" " avgoccu="1.000" chain="C" ent="1" icode=" " model="1" num-H-reduce="3" owab="5.860" phi="-61.0" psi="-43.0" rama="Favored" resname="GLY" resnum="49" rscc="0.987" rsr="0.050" rsrz="-0.666" said="C" seq="41"/>
	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="C" ent="1" icode=" " model="1" num-H-reduce="8" owab="10.090" phi="-73.7" psi="-36.7" rama="Favored" resname="GLN" resnum="50" rota="mm-40" rscc="0.969" rsr="0.069" rsrz="-0.630" said="C" seq="42"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="C" ent="1" icode=" " model="1" num-H-reduce="9" owab="9.520" phi="-55.8" psi="-46.3" rama="Favored" resname="MSE" resnum="51" rota="tmm?" rscc="0.993" rsr="0.054" said="C" seq="43">
		<clash atom="HE1" cid="13" clashmag="0.58" dist="2.38"/>
		<clash atom="HE1" cid="35" clashmag="0.41" dist="1.85"/>
		<clash atom="HE2" cid="36" clashmag="0.41" dist="2.03"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="C" ent="1" icode=" " model="1" num-H-reduce="5" owab="5.890" phi="-68.4" psi="-40.7" rama="Favored" resname="ALA" resnum="52" rscc="0.987" rsr="0.058" rsrz="-0.596" said="C" seq="44"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="C" ent="1" icode=" " model="1" num-H-reduce="11" owab="9.120" phi="-66.0" psi="-37.3" rama="Favored" resname="LEU" resnum="53" rota="mt" rscc="0.976" rsr="0.054" rsrz="-1.051" said="C" seq="45"/>
	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="C" ent="1" icode=" " model="1" num-H-reduce="13" owab="10.720" phi="-68.2" psi="-38.8" rama="Favored" resname="LYS" resnum="54" rota="tppt?" rscc="0.978" rsr="0.050" rsrz="-1.176" said="C" seq="46"/>
	<ModelledSubgroup NatomsEDS="11" altcode=" " avgoccu="1.000" chain="C" ent="1" icode=" " model="1" num-H-reduce="9" owab="8.420" phi="-57.3" psi="-48.4" rama="Favored" resname="PHE" resnum="55" rota="t80" rscc="0.981" rsr="0.103" rsrz="0.689" said="C" seq="47"/>
	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="C" ent="1" icode=" " model="1" num-H-reduce="13" owab="10.300" phi="-55.7" psi="-48.4" rama="Favored" resname="LYS" resnum="56" rota="tttp" rscc="0.984" rsr="0.054" rsrz="-1.109" said="C" seq="48"/>
	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="C" ent="1" icode=" " model="1" num-H-reduce="8" owab="13.600" phi="-57.9" psi="-47.3" rama="Favored" resname="GLN" resnum="57" rota="tt0" rscc="0.966" rsr="0.080" rsrz="-0.438" said="C" seq="49"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="C" ent="1" icode=" " model="1" num-H-reduce="11" owab="10.880" phi="-71.7" psi="-44.9" rama="Favored" resname="LEU" resnum="58" rota="mt" rscc="0.988" rsr="0.042" rsrz="-1.413" said="C" seq="50"/>
	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="C" ent="1" icode=" " model="1" num-H-reduce="9" owab="10.810" phi="-56.0" psi="-44.6" rama="Favored" resname="VAL" resnum="59" rota="t" rscc="0.985" rsr="0.053" rsrz="-0.991" said="C" seq="51"/>
	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="C" ent="1" icode=" " model="1" num-H-reduce="6" owab="13.850" phi="-74.6" psi="-25.0" rama="Favored" resname="GLU" resnum="60" rota="mt-10" rscc="0.979" rsr="0.050" rsrz="-1.051" said="C" seq="52"/>
	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="C" ent="1" icode=" " model="1" num-H-reduce="6" owab="17.230" phi="-71.7" psi="-38.4" rama="Favored" resname="GLU" resnum="61" rota="mt-10" rscc="0.971" rsr="0.075" rsrz="-0.664" said="C" seq="53"/>
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	<ModelledSubgroup NatomsEDS="14" altcode=" " avgoccu="1.000" chain="C" ent="1" icode=" " model="1" num-H-reduce="10" owab="9.980" phi="-65.7" psi="-43.2" rama="Favored" resname="TRP" resnum="308" rota="m95" rscc="0.985" rsr="0.066" rsrz="-0.418" said="C" seq="300"/>
	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="C" ent="1" icode=" " model="1" num-H-reduce="9" owab="11.950" phi="-57.3" psi="-48.4" rama="Favored" resname="VAL" resnum="309" rota="t" rscc="0.981" rsr="0.048" rsrz="-1.141" said="C" seq="301"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="C" ent="1" icode=" " model="1" num-H-reduce="6" owab="16.940" phi="-59.5" psi="-39.1" rama="Favored" resname="ASN" resnum="310" rota="t30" rscc="0.952" rsr="0.120" rsrz="0.529" said="C" seq="302"/>
	<ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="C" ent="1" icode=" " model="1" num-H-reduce="5" owab="10.990" phi="-69.5" psi="-24.8" rama="Favored" resname="ALA" resnum="311" rscc="0.988" rsr="0.045" rsrz="-0.914" said="C" seq="303"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="C" ent="1" icode=" " model="1" num-H-reduce="9" owab="16.760" phi="-102.7" psi="-0.8" rama="Favored" resname="MSE" resnum="312" rota="mtt" rscc="0.792" rsr="0.193" said="C" seq="304">
		<angle-outlier atom0="CB" atom1="CA" atom2="C" mean="110.400" obs="124.254" stdev="2.000" z="6.93"/>
		<clash atom="SE" cid="1" clashmag="1.42" dist="2.17"/>
		<clash atom="SE" cid="28" clashmag="0.44" dist="3.08"/>
		<clash atom="CG" cid="1" clashmag="1.42" dist="2.17"/>
		<clash atom="CB" cid="28" clashmag="0.44" dist="3.08"/>
		<bond-outlier atom0="CG" atom1="SE" mean="1.950" obs="2.169" stdev="0.034" z="6.45"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="C" ent="1" icode=" " model="1" num-H-reduce="2" owab="32.570" phi="-55.0" psi="-43.6" rama="Favored" resname="LYS" resnum="313" rscc="0.881" rsr="0.154" rsrz="0.566" said="C" seq="305"/>
	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="C" ent="1" icode=" " model="1" num-H-reduce="7" owab="26.360" resname="PRO" resnum="314" rota="Cg_exo" rscc="0.828" rsr="0.224" rsrz="3.042" said="C" seq="306">
		<bond-outlier atom0="N" atom1="CD" mean="1.474" obs="1.546" stdev="0.014" z="5.11"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="C" ent="2" icode=" " model="1" mogul_angles_rmsz="1.09" mogul_bonds_rmsz="1.80" mogul_rmsz_numangles="3" mogul_rmsz_numbonds="2" num-H-reduce="4" owab="5.400" resname="LMR" resnum="401" rscc="0.991" rsr="0.069" said="H" seq=".">
		<mog-bond-outlier Zscore="-2.40" atoms="C3,C2" mean="1.53" mindiff="0.01" numobs="25" obsval="1.50" stdev="0.01"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="4.130" resname="HOH" resnum="501" rscc="0.995" rsr="0.076" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="3.460" resname="HOH" resnum="502" rscc="0.996" rsr="0.089" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="4.470" resname="HOH" resnum="503" rscc="0.994" rsr="0.098" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="4.400" resname="HOH" resnum="504" rscc="0.997" rsr="0.053" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="7.040" resname="HOH" resnum="505" rscc="0.995" rsr="0.074" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="7.040" resname="HOH" resnum="506" rscc="0.996" rsr="0.103" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="6.280" resname="HOH" resnum="507" rscc="0.996" rsr="0.088" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="8.080" resname="HOH" resnum="508" rscc="0.989" rsr="0.098" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="6.530" resname="HOH" resnum="509" rscc="0.996" rsr="0.115" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="6.230" resname="HOH" resnum="510" rscc="0.992" rsr="0.083" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="4.870" resname="HOH" resnum="511" rscc="0.993" rsr="0.090" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="5.830" resname="HOH" resnum="512" rscc="0.996" rsr="0.071" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="6.590" resname="HOH" resnum="513" rscc="0.994" rsr="0.075" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="7.590" resname="HOH" resnum="514" rscc="0.994" rsr="0.084" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="6.470" resname="HOH" resnum="515" rscc="0.994" rsr="0.109" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="6.030" resname="HOH" resnum="516" rscc="0.997" rsr="0.041" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="8.320" resname="HOH" resnum="517" rscc="0.996" rsr="0.084" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="6.910" resname="HOH" resnum="518" rscc="0.998" rsr="0.070" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="8.340" resname="HOH" resnum="519" rscc="0.993" rsr="0.099" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="5.390" resname="HOH" resnum="520" rscc="0.996" rsr="0.050" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="8.070" resname="HOH" resnum="521" rscc="0.981" rsr="0.092" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="7.020" resname="HOH" resnum="522" rscc="0.994" rsr="0.122" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="7.090" resname="HOH" resnum="523" rscc="0.995" rsr="0.070" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="7.350" resname="HOH" resnum="524" rscc="0.990" rsr="0.083" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="6.300" resname="HOH" resnum="525" rscc="0.991" rsr="0.124" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="8.830" resname="HOH" resnum="526" rscc="0.990" rsr="0.120" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="8.150" resname="HOH" resnum="527" rscc="0.995" rsr="0.102" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="9.350" resname="HOH" resnum="528" rscc="0.987" rsr="0.059" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="9.510" resname="HOH" resnum="529" rscc="0.988" rsr="0.068" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="11.410" resname="HOH" resnum="530" rscc="0.984" rsr="0.103" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="7.950" resname="HOH" resnum="531" rscc="0.992" rsr="0.056" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="8.410" resname="HOH" resnum="532" rscc="0.993" rsr="0.054" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="6.660" resname="HOH" resnum="533" rscc="0.996" rsr="0.093" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="10.580" resname="HOH" resnum="534" rscc="0.989" rsr="0.041" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="11.560" resname="HOH" resnum="535" rscc="0.981" rsr="0.072" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="8.430" resname="HOH" resnum="536" rscc="0.994" rsr="0.069" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="11.720" resname="HOH" resnum="537" rscc="0.991" rsr="0.104" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="9.470" resname="HOH" resnum="538" rscc="0.990" rsr="0.078" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="9.780" resname="HOH" resnum="539" rscc="0.988" rsr="0.046" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="10.860" resname="HOH" resnum="540" rscc="0.989" rsr="0.048" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="9.110" resname="HOH" resnum="541" rscc="0.991" rsr="0.078" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="8.880" resname="HOH" resnum="542" rscc="0.995" rsr="0.068" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="7.970" resname="HOH" resnum="543" rscc="0.991" rsr="0.099" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="11.560" resname="HOH" resnum="544" rscc="0.990" rsr="0.054" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="9.660" resname="HOH" resnum="545" rscc="0.992" rsr="0.054" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="12.060" resname="HOH" resnum="546" rscc="0.986" rsr="0.130" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="11.240" resname="HOH" resnum="547" rscc="0.985" rsr="0.074" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="12.790" resname="HOH" resnum="548" rscc="0.990" rsr="0.102" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="10.440" resname="HOH" resnum="549" rscc="0.990" rsr="0.042" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="9.330" resname="HOH" resnum="550" rscc="0.993" rsr="0.050" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="10.920" resname="HOH" resnum="551" rscc="0.991" rsr="0.037" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="9.490" resname="HOH" resnum="552" rscc="0.996" rsr="0.032" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="8.990" resname="HOH" resnum="553" rscc="0.992" rsr="0.088" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="13.600" resname="HOH" resnum="554" rscc="0.991" rsr="0.044" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="10.800" resname="HOH" resnum="555" rscc="0.988" rsr="0.053" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="11.310" resname="HOH" resnum="556" rscc="0.991" rsr="0.106" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="13.780" resname="HOH" resnum="557" rscc="0.988" rsr="0.063" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="11.460" resname="HOH" resnum="558" rscc="0.994" rsr="0.062" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="8.780" resname="HOH" resnum="559" rscc="0.993" rsr="0.076" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="10.680" resname="HOH" resnum="560" rscc="0.989" rsr="0.053" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="11.900" resname="HOH" resnum="561" rscc="0.987" rsr="0.069" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="11.650" resname="HOH" resnum="562" rscc="0.988" rsr="0.057" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="12.510" resname="HOH" resnum="563" rscc="0.970" rsr="0.156" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="11.710" resname="HOH" resnum="564" rscc="0.991" rsr="0.136" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="11.630" resname="HOH" resnum="565" rscc="0.988" rsr="0.046" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="11.430" resname="HOH" resnum="566" rscc="0.994" rsr="0.030" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="13.370" resname="HOH" resnum="567" rscc="0.979" rsr="0.038" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="11.580" resname="HOH" resnum="568" rscc="0.983" rsr="0.052" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="11.310" resname="HOH" resnum="569" rscc="0.989" rsr="0.068" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="15.070" resname="HOH" resnum="570" rscc="0.986" rsr="0.063" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="15.380" resname="HOH" resnum="571" rscc="0.981" rsr="0.057" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="12.450" resname="HOH" resnum="572" rscc="0.959" rsr="0.099" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="12.620" resname="HOH" resnum="573" rscc="0.977" rsr="0.079" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="11.840" resname="HOH" resnum="574" rscc="0.994" rsr="0.086" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="17.330" resname="HOH" resnum="575" rscc="0.982" rsr="0.050" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="15.920" resname="HOH" resnum="576" rscc="0.978" rsr="0.085" said="L" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="13.450" resname="HOH" resnum="578" rscc="0.994" rsr="0.083" said="L" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="18.410" resname="HOH" resnum="620" rscc="0.971" rsr="0.048" said="L" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="17.680" resname="HOH" resnum="626" rscc="0.965" rsr="0.072" said="L" seq="."/>
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		<clash atom="O" cid="18" clashmag="0.51" dist="2.11"/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="32.690" resname="HOH" resnum="774" rscc="0.827" rsr="0.120" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="23.990" resname="HOH" resnum="775" rscc="0.972" rsr="0.221" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="26.860" resname="HOH" resnum="776" rscc="0.957" rsr="0.138" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="27.390" resname="HOH" resnum="777" rscc="0.972" rsr="0.076" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="29.250" resname="HOH" resnum="778" rscc="0.953" rsr="0.092" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="29.690" resname="HOH" resnum="779" rscc="0.954" rsr="0.068" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="41.600" resname="HOH" resnum="780" rscc="0.861" rsr="0.418" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="30.010" resname="HOH" resnum="781" rscc="0.952" rsr="0.122" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="29.590" resname="HOH" resnum="782" rscc="0.853" rsr="0.137" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="21.970" resname="HOH" resnum="783" rscc="0.948" rsr="0.185" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="36.200" resname="HOH" resnum="784" rscc="0.825" rsr="0.245" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="29.740" resname="HOH" resnum="785" rscc="0.955" rsr="0.160" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="36.060" resname="HOH" resnum="786" rscc="0.895" rsr="0.225" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="25.800" resname="HOH" resnum="787" rscc="0.922" rsr="0.116" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="22.990" resname="HOH" resnum="788" rscc="0.911" rsr="0.082" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="23.910" resname="HOH" resnum="789" rscc="0.947" rsr="0.153" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="35.010" resname="HOH" resnum="790" rscc="0.860" rsr="0.168" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="26.240" resname="HOH" resnum="791" rscc="0.943" rsr="0.120" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="27.630" resname="HOH" resnum="792" rscc="0.847" rsr="0.108" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="23.510" resname="HOH" resnum="793" rscc="0.966" rsr="0.132" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="27.480" resname="HOH" resnum="794" rscc="0.951" rsr="0.155" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="25.900" resname="HOH" resnum="795" rscc="0.920" rsr="0.116" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="28.290" resname="HOH" resnum="796" rscc="0.884" rsr="0.142" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="26.290" resname="HOH" resnum="797" rscc="0.954" rsr="0.181" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="24.580" resname="HOH" resnum="798" rscc="0.935" rsr="0.129" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="28.230" resname="HOH" resnum="799" rscc="0.932" rsr="0.105" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="37.150" resname="HOH" resnum="800" rscc="0.893" rsr="0.073" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="29.480" resname="HOH" resnum="801" rscc="0.889" rsr="0.116" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="24.370" resname="HOH" resnum="802" rscc="0.946" rsr="0.091" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="33.300" resname="HOH" resnum="803" rscc="0.967" rsr="0.226" said="L" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="29.660" resname="HOH" resnum="805" rscc="0.914" rsr="0.113" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="36.850" resname="HOH" resnum="806" rscc="0.731" rsr="0.317" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="36.330" resname="HOH" resnum="807" rscc="0.859" rsr="0.074" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="26.100" resname="HOH" resnum="808" rscc="0.960" rsr="0.230" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="31.030" resname="HOH" resnum="809" rscc="0.962" rsr="0.149" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="39.050" resname="HOH" resnum="810" rscc="0.917" rsr="0.160" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="27.210" resname="HOH" resnum="811" rscc="0.970" rsr="0.083" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="32.030" resname="HOH" resnum="812" rscc="0.949" rsr="0.126" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="32.360" resname="HOH" resnum="813" rscc="0.979" rsr="0.047" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="36.130" resname="HOH" resnum="814" rscc="0.874" rsr="0.139" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="30.270" resname="HOH" resnum="815" rscc="0.943" rsr="0.099" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="29.250" resname="HOH" resnum="816" rscc="0.951" rsr="0.110" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="28.570" resname="HOH" resnum="817" rscc="0.940" rsr="0.193" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="39.810" resname="HOH" resnum="818" rscc="0.779" rsr="0.286" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="32.030" resname="HOH" resnum="819" rscc="0.958" rsr="0.110" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="30.420" resname="HOH" resnum="820" rscc="0.928" rsr="0.154" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="30.300" resname="HOH" resnum="821" rscc="0.830" rsr="0.117" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="36.300" resname="HOH" resnum="822" rscc="0.970" rsr="0.171" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="29.390" resname="HOH" resnum="823" rscc="0.941" rsr="0.143" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="35.760" resname="HOH" resnum="824" rscc="0.903" rsr="0.112" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="24.920" resname="HOH" resnum="825" rscc="0.932" rsr="0.111" said="L" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="34.000" resname="HOH" resnum="828" rscc="0.917" rsr="0.140" said="L" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="29.250" resname="HOH" resnum="830" rscc="0.915" rsr="0.211" said="L" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="30.960" resname="HOH" resnum="833" rscc="0.915" rsr="0.130" said="L" seq="."/>
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		<clash atom="O" cid="8" clashmag="0.75" dist="2.18"/>
	</ModelledSubgroup>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="35.360" resname="HOH" resnum="961" rscc="0.887" rsr="0.257" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="34.010" resname="HOH" resnum="962" rscc="0.918" rsr="0.092" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="38.490" resname="HOH" resnum="963" rscc="0.946" rsr="0.123" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="37.830" resname="HOH" resnum="964" rscc="0.835" rsr="0.166" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="34.450" resname="HOH" resnum="965" rscc="0.912" rsr="0.272" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="32.510" resname="HOH" resnum="966" rscc="0.852" rsr="0.135" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="34.360" resname="HOH" resnum="967" rscc="0.959" rsr="0.129" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="39.630" resname="HOH" resnum="968" rscc="0.833" rsr="0.187" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="42.240" resname="HOH" resnum="969" rscc="0.911" rsr="0.182" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="34.280" resname="HOH" resnum="970" rscc="0.899" rsr="0.096" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="36.950" resname="HOH" resnum="971" rscc="0.856" rsr="0.126" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="36.660" resname="HOH" resnum="972" rscc="0.775" rsr="0.394" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="37.380" resname="HOH" resnum="973" rscc="0.761" rsr="0.125" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="39.560" resname="HOH" resnum="974" rscc="0.808" rsr="0.211" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="37.560" resname="HOH" resnum="975" rscc="0.924" rsr="0.129" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="35.130" resname="HOH" resnum="976" rscc="0.925" rsr="0.282" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="36.500" resname="HOH" resnum="977" rscc="0.943" rsr="0.163" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="39.510" resname="HOH" resnum="978" rscc="0.736" rsr="0.508" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="33.510" resname="HOH" resnum="979" rscc="0.951" rsr="0.161" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="36.830" resname="HOH" resnum="980" rscc="0.928" rsr="0.549" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="40.670" resname="HOH" resnum="981" rscc="0.816" rsr="0.299" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="37.100" resname="HOH" resnum="982" rscc="0.749" rsr="0.320" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="41.090" resname="HOH" resnum="983" rscc="0.863" rsr="0.163" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="36.200" resname="HOH" resnum="984" rscc="0.853" rsr="0.269" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="38.430" resname="HOH" resnum="985" rscc="0.829" rsr="0.229" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="42.580" resname="HOH" resnum="986" rscc="0.801" rsr="0.265" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="36.580" resname="HOH" resnum="987" rscc="0.917" rsr="0.183" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="34.800" resname="HOH" resnum="988" rscc="0.890" rsr="0.206" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="37.190" resname="HOH" resnum="989" rscc="0.851" rsr="0.263" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="33.970" resname="HOH" resnum="990" rscc="0.926" rsr="0.149" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="35.900" resname="HOH" resnum="991" rscc="0.875" rsr="0.133" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="41.320" resname="HOH" resnum="992" rscc="0.757" rsr="0.221" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="34.490" resname="HOH" resnum="993" rscc="0.874" rsr="0.222" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="42.040" resname="HOH" resnum="994" rscc="0.839" rsr="0.642" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="41.700" resname="HOH" resnum="995" rscc="0.865" rsr="0.337" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="36.800" resname="HOH" resnum="996" rscc="0.846" rsr="0.168" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="40.100" resname="HOH" resnum="997" rscc="0.962" rsr="0.210" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="33.270" resname="HOH" resnum="998" rscc="0.895" rsr="0.295" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="36.580" resname="HOH" resnum="999" rscc="0.889" rsr="0.179" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="38.720" resname="HOH" resnum="1000" rscc="0.881" rsr="0.195" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="39.840" resname="HOH" resnum="1001" rscc="0.864" rsr="0.347" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="37.630" resname="HOH" resnum="1002" rscc="0.894" rsr="0.157" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="39.520" resname="HOH" resnum="1003" rscc="0.895" rsr="0.259" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="38.430" resname="HOH" resnum="1004" rscc="0.898" rsr="0.321" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="37.110" resname="HOH" resnum="1005" rscc="0.833" rsr="0.291" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="42.920" resname="HOH" resnum="1006" rscc="0.933" rsr="0.072" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="36.610" resname="HOH" resnum="1007" rscc="0.777" rsr="0.187" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="41.900" resname="HOH" resnum="1008" rscc="0.858" rsr="0.220" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="41.770" resname="HOH" resnum="1009" rscc="0.838" rsr="0.125" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="39.000" resname="HOH" resnum="1010" rscc="0.927" rsr="0.178" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="39.250" resname="HOH" resnum="1011" rscc="0.844" rsr="0.224" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="40.410" resname="HOH" resnum="1012" rscc="0.895" rsr="0.148" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="38.650" resname="HOH" resnum="1013" rscc="0.956" rsr="0.123" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="41.770" resname="HOH" resnum="1014" rscc="0.835" rsr="0.197" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="43.520" resname="HOH" resnum="1015" rscc="0.804" rsr="0.411" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="37.990" resname="HOH" resnum="1016" rscc="0.891" rsr="0.200" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="36.700" resname="HOH" resnum="1017" rscc="0.876" rsr="0.193" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="34.880" resname="HOH" resnum="1018" rscc="0.804" rsr="0.171" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="42.430" resname="HOH" resnum="1019" rscc="0.768" rsr="0.418" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="37.530" resname="HOH" resnum="1020" rscc="0.921" rsr="0.486" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="39.560" resname="HOH" resnum="1021" rscc="0.822" rsr="0.245" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="36.560" resname="HOH" resnum="1022" rscc="0.878" rsr="0.155" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="45.740" resname="HOH" resnum="1023" rscc="0.850" rsr="0.105" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="40.900" resname="HOH" resnum="1024" rscc="0.633" rsr="0.160" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="46.300" resname="HOH" resnum="1025" rscc="0.929" rsr="0.247" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="41.160" resname="HOH" resnum="1026" rscc="0.846" rsr="0.222" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="43.400" resname="HOH" resnum="1027" rscc="0.825" rsr="0.372" said="L" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="44.370" resname="HOH" resnum="1028" rscc="0.871" rsr="0.367" said="L" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="C" ent="4" icode=" " model="1" owab="39.920" resname="HOH" resnum="1030" rscc="0.874" rsr="0.114" said="L" seq="."/>
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		<clash atom="OE1" cid="6" clashmag="0.77" dist="2.02"/>
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	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="D" ent="1" icode=" " model="1" num-H-reduce="11" owab="11.540" phi="-66.1" psi="-44.2" rama="Favored" resname="LEU" resnum="327" rota="tp" rscc="0.954" rsr="0.104" rsrz="0.455" said="D" seq="319"/>
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		<mog-bond-outlier Zscore="-2.20" atoms="C3,C2" mean="1.53" mindiff="0.01" numobs="25" obsval="1.50" stdev="0.01"/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="9.770" resname="HOH" resnum="517" rscc="0.990" rsr="0.131" said="M" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="7.840" resname="HOH" resnum="519" rscc="0.989" rsr="0.103" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="10.430" resname="HOH" resnum="520" rscc="0.990" rsr="0.081" said="M" seq="."/>
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		<clash atom="O" cid="23" clashmag="0.48" dist="2.13"/>
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		<clash atom="O" cid="17" clashmag="0.52" dist="2.42"/>
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		<clash atom="O" cid="20" clashmag="0.50" dist="2.44"/>
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		<clash atom="O" cid="38" clashmag="0.40" dist="2.22"/>
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		<symm-clash atom="O" clashmag="0.04" dist="2.16" scid="0" symop="2_656"/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="34.380" resname="HOH" resnum="874" rscc="0.923" rsr="0.157" said="M" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="28.920" resname="HOH" resnum="879" rscc="0.924" rsr="0.107" said="M" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="40.360" resname="HOH" resnum="886" rscc="0.955" rsr="0.289" said="M" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="32.870" resname="HOH" resnum="888" rscc="0.841" rsr="0.124" said="M" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="37.920" resname="HOH" resnum="891" rscc="0.924" rsr="0.280" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="38.270" resname="HOH" resnum="892" rscc="0.857" rsr="0.222" said="M" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="34.070" resname="HOH" resnum="894" rscc="0.946" rsr="0.279" said="M" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="40.080" resname="HOH" resnum="904" rscc="0.859" rsr="0.181" said="M" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="34.350" resname="HOH" resnum="909" rscc="0.938" rsr="0.254" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="38.500" resname="HOH" resnum="910" rscc="0.804" rsr="0.093" said="M" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="32.060" resname="HOH" resnum="912" rscc="0.929" rsr="0.186" said="M" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="36.540" resname="HOH" resnum="914" rscc="0.910" rsr="0.080" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="39.170" resname="HOH" resnum="915" rscc="0.855" rsr="0.376" said="M" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="38.920" resname="HOH" resnum="917" rscc="0.924" rsr="0.135" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="35.030" resname="HOH" resnum="918" rscc="0.857" rsr="0.209" said="M" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="41.550" resname="HOH" resnum="954" rscc="0.843" rsr="0.142" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="41.630" resname="HOH" resnum="955" rscc="0.838" rsr="0.253" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="37.900" resname="HOH" resnum="956" rscc="0.742" rsr="0.170" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="40.650" resname="HOH" resnum="957" rscc="0.732" rsr="0.301" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="38.640" resname="HOH" resnum="958" rscc="0.761" rsr="0.103" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="35.650" resname="HOH" resnum="959" rscc="0.912" rsr="0.089" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="33.130" resname="HOH" resnum="960" rscc="0.927" rsr="0.456" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="33.600" resname="HOH" resnum="961" rscc="0.940" rsr="0.086" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="35.810" resname="HOH" resnum="962" rscc="0.857" rsr="0.115" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="42.020" resname="HOH" resnum="963" rscc="0.842" rsr="0.225" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="42.040" resname="HOH" resnum="964" rscc="0.843" rsr="0.141" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="36.600" resname="HOH" resnum="965" rscc="0.809" rsr="0.401" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="41.690" resname="HOH" resnum="966" rscc="0.835" rsr="0.328" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="33.640" resname="HOH" resnum="967" rscc="0.927" rsr="0.443" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="36.840" resname="HOH" resnum="968" rscc="0.934" rsr="0.068" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="36.160" resname="HOH" resnum="969" rscc="0.926" rsr="0.134" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="39.210" resname="HOH" resnum="970" rscc="0.907" rsr="0.400" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="37.660" resname="HOH" resnum="971" rscc="0.822" rsr="0.176" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="38.660" resname="HOH" resnum="972" rscc="0.885" rsr="0.115" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="39.590" resname="HOH" resnum="973" rscc="0.864" rsr="0.139" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="41.530" resname="HOH" resnum="974" rscc="0.530" rsr="0.320" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="40.800" resname="HOH" resnum="975" rscc="0.911" rsr="0.230" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="41.480" resname="HOH" resnum="976" rscc="0.803" rsr="0.197" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="36.550" resname="HOH" resnum="977" rscc="0.930" rsr="0.132" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="36.520" resname="HOH" resnum="978" rscc="0.955" rsr="0.075" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="39.340" resname="HOH" resnum="979" rscc="0.945" rsr="0.422" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="41.910" resname="HOH" resnum="980" rscc="0.934" rsr="0.224" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="39.270" resname="HOH" resnum="981" rscc="0.842" rsr="0.452" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="47.980" resname="HOH" resnum="982" rscc="0.874" rsr="0.187" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="45.800" resname="HOH" resnum="983" rscc="0.841" rsr="0.383" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="37.470" resname="HOH" resnum="984" rscc="0.907" rsr="0.264" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="36.670" resname="HOH" resnum="985" rscc="0.919" rsr="0.159" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="37.350" resname="HOH" resnum="986" rscc="0.831" rsr="0.206" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="39.630" resname="HOH" resnum="987" rscc="0.813" rsr="0.171" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="37.340" resname="HOH" resnum="988" rscc="0.926" rsr="0.387" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="26.930" resname="HOH" resnum="989" rscc="0.936" rsr="0.173" said="M" seq=".">
		<clash atom="O" cid="14" clashmag="0.57" dist="2.03"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="10.880" resname="HOH" resnum="990" rscc="0.989" rsr="0.066" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="23.700" resname="HOH" resnum="991" rscc="0.915" rsr="0.183" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="21.820" resname="HOH" resnum="992" rscc="0.949" rsr="0.372" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="39.290" resname="HOH" resnum="993" rscc="0.928" rsr="0.141" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="36.300" resname="HOH" resnum="994" rscc="0.921" rsr="0.217" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="33.200" resname="HOH" resnum="995" rscc="0.905" rsr="0.059" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="41.270" resname="HOH" resnum="996" rscc="0.783" rsr="0.293" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="29.720" resname="HOH" resnum="997" rscc="0.900" rsr="0.103" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="26.190" resname="HOH" resnum="998" rscc="0.936" rsr="0.276" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="31.000" resname="HOH" resnum="999" rscc="0.952" rsr="0.314" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="29.960" resname="HOH" resnum="1000" rscc="0.925" rsr="0.073" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="42.930" resname="HOH" resnum="1001" rscc="0.672" rsr="0.169" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="42.980" resname="HOH" resnum="1002" rscc="0.713" rsr="0.446" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="33.920" resname="HOH" resnum="1003" rscc="0.857" rsr="0.156" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="34.980" resname="HOH" resnum="1004" rscc="0.753" rsr="0.244" said="M" seq=".">
		<clash atom="O" cid="6" clashmag="0.77" dist="2.02"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="24.760" resname="HOH" resnum="1005" rscc="0.957" rsr="0.085" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="41.700" resname="HOH" resnum="1006" rscc="0.916" rsr="0.106" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="45.190" resname="HOH" resnum="1007" rscc="0.828" rsr="0.114" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="36.600" resname="HOH" resnum="1008" rscc="0.973" rsr="0.218" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="41.360" resname="HOH" resnum="1009" rscc="0.693" rsr="0.265" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="40.620" resname="HOH" resnum="1010" rscc="0.925" rsr="0.300" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="30.550" resname="HOH" resnum="1011" rscc="0.937" rsr="0.097" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="32.880" resname="HOH" resnum="1012" rscc="0.910" rsr="0.123" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="32.950" resname="HOH" resnum="1013" rscc="0.934" rsr="0.078" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="8.210" resname="HOH" resnum="1014" rscc="0.995" rsr="0.136" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="33.450" resname="HOH" resnum="1015" rscc="0.792" rsr="0.139" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="34.230" resname="HOH" resnum="1016" rscc="0.913" rsr="0.416" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="36.280" resname="HOH" resnum="1017" rscc="0.715" rsr="0.112" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="34.940" resname="HOH" resnum="1018" rscc="0.858" rsr="0.337" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="34.310" resname="HOH" resnum="1019" rscc="0.841" rsr="0.157" said="M" seq=".">
		<symm-clash atom="O" clashmag="0.03" dist="2.17" scid="1" symop="2_756"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="34.050" resname="HOH" resnum="1020" rscc="0.871" rsr="0.320" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="33.490" resname="HOH" resnum="1021" rscc="0.891" rsr="0.088" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="33.050" resname="HOH" resnum="1022" rscc="0.900" rsr="0.358" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="29.500" resname="HOH" resnum="1023" rscc="0.925" rsr="0.105" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="35.330" resname="HOH" resnum="1024" rscc="0.928" rsr="0.225" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="35.360" resname="HOH" resnum="1025" rscc="0.706" rsr="0.247" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="33.090" resname="HOH" resnum="1026" rscc="0.877" rsr="0.116" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="31.980" resname="HOH" resnum="1027" rscc="0.951" rsr="0.261" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="37.310" resname="HOH" resnum="1028" rscc="0.907" rsr="0.080" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="33.250" resname="HOH" resnum="1029" rscc="0.908" rsr="0.110" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="33.630" resname="HOH" resnum="1030" rscc="0.781" rsr="0.223" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="34.400" resname="HOH" resnum="1031" rscc="0.882" rsr="0.085" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="34.870" resname="HOH" resnum="1032" rscc="0.875" rsr="0.231" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="34.110" resname="HOH" resnum="1033" rscc="0.898" rsr="0.200" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="33.260" resname="HOH" resnum="1034" rscc="0.853" rsr="0.202" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="33.190" resname="HOH" resnum="1035" rscc="0.839" rsr="0.388" said="M" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="34.230" resname="HOH" resnum="1036" rscc="0.886" rsr="0.138" said="M" seq="."/>
	<ModelledEntityInstance absolute_RSRZ_percentile="87.36" absolute_rama_percentile="100.00" absolute_sidechain_percentile="90.76" angles_rmsz="0.61" bonds_rmsz="0.48" chain="A" ent="1" model="1" num_angles_rmsz="3362" num_bonds_rmsz="2497" relative_RSRZ_percentile="90.19" relative_rama_percentile="100.00" relative_sidechain_percentile="81.85" said="A"/>
	<ModelledEntityInstance absolute_RSRZ_percentile="82.03" absolute_rama_percentile="100.00" absolute_sidechain_percentile="83.60" angles_rmsz="0.59" bonds_rmsz="0.44" chain="B" ent="1" model="1" num_angles_rmsz="3445" num_bonds_rmsz="2558" relative_RSRZ_percentile="85.12" relative_rama_percentile="100.00" relative_sidechain_percentile="69.29" said="B"/>
	<ModelledEntityInstance absolute_RSRZ_percentile="75.07" absolute_rama_percentile="100.00" absolute_sidechain_percentile="81.28" angles_rmsz="0.62" bonds_rmsz="0.49" chain="C" ent="1" model="1" num_angles_rmsz="3150" num_bonds_rmsz="2339" relative_RSRZ_percentile="79.30" relative_rama_percentile="100.00" relative_sidechain_percentile="65.86" said="C"/>
	<ModelledEntityInstance absolute_RSRZ_percentile="93.62" absolute_rama_percentile="100.00" absolute_sidechain_percentile="83.60" angles_rmsz="0.59" bonds_rmsz="0.45" chain="D" ent="1" model="1" num_angles_rmsz="3386" num_bonds_rmsz="2513" relative_RSRZ_percentile="94.63" relative_rama_percentile="100.00" relative_sidechain_percentile="69.29" said="D"/>
	<programs>
		<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="20191225.v01 (using entries in the PDB archive December 25th 2019)"/>
		<program name="dcc" properties="DCC_R,DCC_refinement_program,B_factor_type,DCC_Rfree" version="2.26  (2020-01-20)"/>
		<program name="eds" properties="percent-RSRZ-outliers,num-free-reflections,rscc,rsr,NatomsEDS,relative_RSRZ_percentile,rsrz,owab,EDS_R,bulk_solvent_k,percent-free-reflections,DataCompleteness,avgoccu,EDS_resolution_low,EDS_resolution,RefmacVersion,absolute_RSRZ_percentile,Fo_Fc_correlation,CCP4version,bulk_solvent_b" version="2.11"/>
		<program name="mogul" properties="mogul_rmsz_numangles,mogul_angles_rmsz,mogul-torsion-outlier,mogul-angle-outlier,mogul-bond-outlier,mogul_bonds_rmsz,mogul_rmsz_numbonds" version="1.8.5 (274361), CSD as541be (2020)"/>
		<program name="buster-report" properties="no-ligands-for-buster-report" version="unknown"/>
		<program name="validation-pack" properties="symm-clash" version="unknown"/>
		<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="2.11"/>
		<program name="xtriage" properties="xtriage_input_columns,numMillerIndices,DataAnisotropy,TransNCS,centric_outliers,TwinL,acentric_outliers,WilsonBestimate,TwinL2,IoverSigma,WilsonBaniso" version="1.13"/>
	</programs>
</wwPDB-validation-information>
