<?xml version="1.0" ?>
<wwPDB-validation-information xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:noNamespaceSchemaLocation="http://wwpdb.org/validation/schema/wwpdb_validation_v002.xsd">
	<Entry B_factor_type="FULL" CCP4version="7.0 (Gargrove)" DCC_R="0.17" DCC_Rfree="0.20" DCC_refinement_program="REFMAC" DataAnisotropy="0.309" DataCompleteness="96.49" EDS_R="0.17" EDS_resolution="1.65" EDS_resolution_low="19.86" Fo_Fc_correlation="0.968" IoverSigma="2.20(1.65A)" PDB-R="0.17" PDB-Rfree="0.20" PDB-deposition-date="2009-11-08" PDB-resolution="1.65" PDB-resolution-low="20.00" PDB-revision-date="2011-07-13" PDB-revision-number="2" RefmacVersion="5.8.0158" RestypesNotcheckedForBondAngleGeometry="GOL,CA" TransNCS="The largest off-origin peak in the Patterson function is 6.27% of the height of the origin peak. No significant pseudotranslation is detected." TwinL="0.491" TwinL2="0.323" WilsonBaniso="[22.300,20.152,16.257,-2.959,2.119,0.981]" WilsonBestimate="19.128" XMLcreationDate="Mar 13, 2018 -- 07:29 pm GMT" absolute-percentile-DCC_Rfree="85.1" absolute-percentile-clashscore="55.7" absolute-percentile-percent-RSRZ-outliers="55.6" absolute-percentile-percent-rama-outliers="43.0" absolute-percentile-percent-rota-outliers="65.5" acentric_outliers="0" angles_rmsz="0.74" attemptedValidationSteps="mogul,molprobity,validation-pack,xtriage,eds,percentiles,writexml" bonds_rmsz="0.74" bulk_solvent_b="47.187" bulk_solvent_k="0.393" centric_outliers="0" clashscore="5.50" high-resol-relative-percentile-DCC_Rfree="1.66" high-resol-relative-percentile-clashscore="1.66" high-resol-relative-percentile-percent-RSRZ-outliers="1.66" high-resol-relative-percentile-percent-rama-outliers="1.66" high-resol-relative-percentile-percent-rota-outliers="1.66" low-resol-relative-percentile-DCC_Rfree="1.66" low-resol-relative-percentile-clashscore="1.66" low-resol-relative-percentile-percent-RSRZ-outliers="1.66" low-resol-relative-percentile-percent-rama-outliers="1.66" low-resol-relative-percentile-percent-rota-outliers="1.66" num-H-reduce="7600" num-free-reflections="6715" numMillerIndices="133797" numPDBids-absolute-percentile-DCC_Rfree="111664" numPDBids-absolute-percentile-clashscore="122126" numPDBids-absolute-percentile-percent-RSRZ-outliers="108989" numPDBids-absolute-percentile-percent-rama-outliers="120053" numPDBids-absolute-percentile-percent-rota-outliers="120020" numPDBids-relative-percentile-DCC_Rfree="1521" numPDBids-relative-percentile-clashscore="1616" numPDBids-relative-percentile-percent-RSRZ-outliers="1487" numPDBids-relative-percentile-percent-rama-outliers="1584" numPDBids-relative-percentile-percent-rota-outliers="1584" num_angles_rmsz="11114" num_bonds_rmsz="8170" pdbid="3KLK" percent-RSRZ-outliers="2.58" percent-free-reflections="5.02" percent-rama-outliers="0.30" percent-rota-outliers="1.64" percentilebins="all,1.65,xray" protein-DNA-RNA-entities="1" relative-percentile-DCC_Rfree="73.4" relative-percentile-clashscore="39.5" relative-percentile-percent-RSRZ-outliers="56.4" relative-percentile-percent-rama-outliers="22.3" relative-percentile-percent-rota-outliers="42.9" xtriage_input_columns="F_meas_au,F_meas_sigma_au"/>
	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="A" ent="1" flippable-sidechain="1" icode=" " model="1" num-H-reduce="7" owab="47.810" resname="GLN" resnum="746" rota="mt-30" rscc="0.871" rsr="0.148" rsrz="0.575" said="A" seq="7">
		<clash atom="NE2" cid="78" clashmag="0.41" dist="2.53"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="12" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="9" owab="30.300" phi="-131.0" psi="151.4" rama="Favored" resname="TYR" resnum="747" rota="m-85" rscc="0.923" rsr="0.077" rsrz="-0.317" said="A" seq="8"/>
	<ModelledSubgroup NatomsEDS="12" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="9" owab="27.450" phi="-113.1" psi="102.5" rama="Favored" resname="TYR" resnum="748" rota="t80" rscc="0.929" rsr="0.096" rsrz="0.198" said="A" seq="9"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="11" owab="40.020" phi="-106.6" psi="150.5" rama="Favored" resname="ILE" resnum="749" rota="OUTLIER" rscc="0.960" rsr="0.096" rsrz="-0.032" said="A" seq="10">
		<clash atom="HD12" cid="23" clashmag="0.67" dist="2.14"/>
		<clash atom="HD12" cid="42" clashmag="0.52" dist="2.28"/>
		<clash atom="HD12" cid="76" clashmag="0.42" dist="2.35"/>
		<clash atom="C" cid="23" clashmag="0.67" dist="2.14"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="4" owab="46.170" phi="-87.3" psi="108.3" rama="Favored" resname="ASP" resnum="750" rota="t0" rscc="0.893" rsr="0.094" rsrz="-0.193" said="A" seq="11">
		<clash atom="C" cid="42" clashmag="0.52" dist="2.28"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="7" owab="39.310" phi="-63.1" psi="-14.5" rama="Favored" resname="PRO" resnum="751" rota="Cg_endo" rscc="0.923" rsr="0.093" rsrz="-0.010" said="A" seq="12">
		<clash atom="N" cid="76" clashmag="0.42" dist="2.35"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="7" owab="66.710" phi="-97.5" psi="10.7" rama="Favored" resname="THR" resnum="752" rota="p" rscc="0.798" rsr="0.142" rsrz="1.091" said="A" seq="13"/>
	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="7" owab="64.970" phi="-156.3" psi="3.5" rama="Allowed" resname="THR" resnum="753" rota="p" rscc="0.791" rsr="0.160" rsrz="1.483" said="A" seq="14">
		<clash atom="O" cid="39" clashmag="0.54" dist="2.07"/>
		<clash atom="O" cid="44" clashmag="0.52" dist="2.42"/>
		<clash atom="C" cid="36" clashmag="0.55" dist="2.08"/>
		<clash atom="C" cid="48" clashmag="0.50" dist="2.65"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="4" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="3" owab="52.020" phi="51.8" psi="2.2" rama="OUTLIER" resname="GLY" resnum="754" rscc="0.891" rsr="0.090" rsrz="0.010" said="A" seq="15"/>
	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="8" owab="60.540" phi="-77.5" psi="128.2" rama="Favored" resname="GLN" resnum="755" rota="mm100" rscc="0.806" rsr="0.183" rsrz="1.161" said="A" seq="16">
		<clash atom="N" cid="44" clashmag="0.52" dist="2.42"/>
		<clash atom="N" cid="48" clashmag="0.50" dist="2.65"/>
		<clash atom="HG2" cid="39" clashmag="0.54" dist="2.07"/>
		<clash atom="H" cid="36" clashmag="0.55" dist="2.08"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="7" owab="47.200" phi="-80.7" psi="138.1" rama="Favored" resname="PRO" resnum="756" rota="Cg_endo" rscc="0.822" rsr="0.127" rsrz="0.681" said="A" seq="17"/>
	<ModelledSubgroup NatomsEDS="11" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="13" owab="31.950" phi="-81.3" psi="126.5" rama="Favored" resname="ARG" resnum="757" rota="mtt180" rscc="0.931" rsr="0.113" rsrz="-0.047" said="A" seq="18"/>
	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="13" owab="30.440" phi="-112.7" psi="151.0" rama="Favored" resname="LYS" resnum="758" rota="mttt" rscc="0.963" rsr="0.109" rsrz="-0.332" said="A" seq="19"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="6" owab="18.640" phi="51.4" psi="62.2" rama="Favored" resname="ASN" resnum="759" rota="t30" rscc="0.962" rsr="0.059" rsrz="-0.748" said="A" seq="20">
		<clash atom="HB2" cid="40" clashmag="0.54" dist="1.89"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="11" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="9" owab="21.230" phi="-135.7" psi="128.0" rama="Favored" resname="PHE" resnum="760" rota="t80" rscc="0.933" rsr="0.098" rsrz="0.216" said="A" seq="21"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="11" owab="17.730" phi="-107.2" psi="122.7" rama="Favored" resname="LEU" resnum="761" rota="tp" rscc="0.971" rsr="0.095" rsrz="-0.060" said="A" seq="22"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="11" owab="20.380" phi="-124.6" psi="124.8" rama="Favored" resname="LEU" resnum="762" rota="tp" rscc="0.961" rsr="0.064" rsrz="-0.872" said="A" seq="23"/>
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		<clash atom="HB2" cid="58" clashmag="0.46" dist="2.51"/>
		<clash atom="HB2" cid="73" clashmag="0.42" dist="2.53"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="6" owab="38.870" phi="-134.0" psi="96.0" rama="Favored" resname="ASN" resnum="764" rota="t30" rscc="0.968" rsr="0.182" rsrz="1.448" said="A" seq="25"/>
	<ModelledSubgroup NatomsEDS="4" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="3" owab="36.860" phi="61.0" psi="-128.2" rama="Favored" resname="GLY" resnum="765" rscc="0.970" rsr="0.133" rsrz="0.850" said="A" seq="26"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="6" owab="49.830" phi="-84.0" psi="-8.3" rama="Favored" resname="ASN" resnum="766" rota="m-20" rscc="0.932" rsr="0.248" rsrz="2.627" said="A" seq="27"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="4" owab="36.760" phi="-86.9" psi="146.5" rama="Favored" resname="ASP" resnum="767" rota="m-20" rscc="0.932" rsr="0.146" rsrz="0.680" said="A" seq="28"/>
	<ModelledSubgroup NatomsEDS="14" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="10" owab="25.820" phi="-123.7" psi="133.9" rama="Favored" resname="TRP" resnum="768" rota="m95" rscc="0.914" rsr="0.080" rsrz="-0.183" said="A" seq="29">
		<clash atom="CZ3" cid="73" clashmag="0.42" dist="2.53"/>
		<clash atom="CH2" cid="58" clashmag="0.46" dist="2.51"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="11" owab="19.590" phi="-120.3" psi="132.0" rama="Favored" resname="ILE" resnum="769" rota="mt" rscc="0.968" rsr="0.063" rsrz="-0.914" said="A" seq="30"/>
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	<ModelledSubgroup NatomsEDS="11" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="9" owab="18.730" phi="-100.3" psi="121.1" rama="Favored" resname="PHE" resnum="771" rota="m-85" rscc="0.943" rsr="0.074" rsrz="-0.457" said="A" seq="32"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="4" owab="17.930" phi="-75.1" psi="173.1" rama="Favored" resname="ASP" resnum="772" rota="p-10" rscc="0.970" rsr="0.070" rsrz="-0.596" said="A" seq="33"/>
	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="13" owab="32.470" phi="-72.6" psi="-39.0" rama="Favored" resname="LYS" resnum="773" rota="OUTLIER" rscc="0.958" rsr="0.132" rsrz="0.028" said="A" seq="34">
		<clash atom="HG3" cid="40" clashmag="0.54" dist="1.89"/>
		<clash atom="HG2" cid="12" clashmag="0.75" dist="1.85"/>
		<clash atom="CG" cid="19" clashmag="0.69" dist="2.37"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="4" owab="27.800" phi="-77.5" psi="-47.6" rama="Favored" resname="ASP" resnum="774" rota="m-20" rscc="0.923" rsr="0.125" rsrz="0.327" said="A" seq="35"/>
	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="7" owab="24.400" phi="-126.5" psi="3.6" rama="Favored" resname="THR" resnum="775" rota="p" rscc="0.968" rsr="0.064" rsrz="-0.604" said="A" seq="36"/>
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	<ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="5" owab="18.090" phi="-70.1" psi="135.1" rama="Favored" resname="ALA" resnum="777" rscc="0.976" rsr="0.057" rsrz="-0.730" said="A" seq="38"/>
	<ModelledSubgroup NatomsEDS="4" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="3" owab="25.900" phi="-86.8" psi="146.5" rama="Favored" resname="GLY" resnum="778" rscc="0.968" rsr="0.047" rsrz="-0.830" said="A" seq="39"/>
	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="7" owab="23.120" phi="-143.9" psi="158.2" rama="Favored" resname="THR" resnum="779" rota="t" rscc="0.962" rsr="0.060" rsrz="-0.691" said="A" seq="40"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="6" owab="25.610" phi="-61.0" psi="109.8" rama="Allowed" resname="ASN" resnum="780" rota="t-20" rscc="0.948" rsr="0.109" rsrz="0.145" said="A" seq="41"/>
	<ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="5" owab="20.770" phi="-58.5" psi="-29.1" rama="Favored" resname="ALA" resnum="781" rscc="0.932" rsr="0.080" rsrz="-0.212" said="A" seq="42"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="11" owab="32.160" phi="-77.6" psi="-13.5" rama="Favored" resname="LEU" resnum="782" rota="mt" rscc="0.958" rsr="0.088" rsrz="-0.243" said="A" seq="43"/>
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	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="A" ent="1" flippable-sidechain="1" icode=" " model="1" num-H-reduce="8" owab="40.380" phi="-127.0" psi="144.7" rama="Favored" resname="GLN" resnum="785" rota="mm-40" rscc="0.939" rsr="0.164" rsrz="0.843" said="A" seq="46"/>
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	<ModelledSubgroup NatomsEDS="4" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="3" owab="37.050" phi="-94.9" psi="5.2" rama="Favored" resname="GLY" resnum="789" rscc="0.874" rsr="0.135" rsrz="0.889" said="A" seq="50"/>
	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="7" owab="24.280" phi="-57.7" psi="136.9" rama="Favored" resname="THR" resnum="790" rota="m" rscc="0.859" rsr="0.111" rsrz="0.417" said="A" seq="51"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="11" owab="24.670" phi="-129.0" psi="154.0" rama="Favored" resname="ILE" resnum="791" rota="pt" rscc="0.950" rsr="0.092" rsrz="-0.139" said="A" seq="52"/>
	<ModelledSubgroup NatomsEDS="6" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="5" owab="28.680" phi="-73.4" psi="157.2" rama="Favored" resname="SER" resnum="792" rota="p" rscc="0.884" rsr="0.095" rsrz="-0.023" said="A" seq="53"/>
	<ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="5" owab="28.500" phi="-52.8" psi="-41.4" rama="Favored" resname="ALA" resnum="793" rscc="0.951" rsr="0.081" rsrz="-0.189" said="A" seq="54"/>
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	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="6" owab="39.510" phi="-65.6" psi="-44.1" rama="Favored" resname="GLU" resnum="795" rota="tp10" rscc="0.854" rsr="0.101" rsrz="-0.387" said="A" seq="56"/>
	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="8" owab="32.260" phi="-53.2" psi="-47.4" rama="Favored" resname="GLN" resnum="796" rota="tt0" rscc="0.903" rsr="0.137" rsrz="0.390" said="A" seq="57"/>
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	<ModelledSubgroup NatomsEDS="11" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="13" owab="48.650" phi="-64.5" psi="-41.9" rama="Favored" resname="ARG" resnum="798" rota="OUTLIER" rscc="0.944" rsr="0.118" rsrz="0.037" said="A" seq="59">
		<clash atom="HG3" cid="27" clashmag="0.64" dist="2.13"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="11" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="13" owab="33.350" phi="-64.5" psi="-36.6" rama="Favored" resname="ARG" resnum="799" rota="mtt180" rscc="0.938" rsr="0.077" rsrz="-0.646" said="A" seq="60">
		<clash atom="N" cid="27" clashmag="0.64" dist="2.13"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="4" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="3" owab="24.680" phi="-58.3" psi="-32.6" rama="Favored" resname="GLY" resnum="800" rscc="0.934" rsr="0.070" rsrz="-0.381" said="A" seq="61"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="6" owab="30.540" phi="-88.2" psi="-7.2" rama="Favored" resname="ASN" resnum="801" rota="m-20" rscc="0.969" rsr="0.105" rsrz="0.073" said="A" seq="62"/>
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	<ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="5" owab="31.340" phi="-61.5" psi="141.9" rama="Favored" resname="ALA" resnum="803" rscc="0.912" rsr="0.086" rsrz="-0.077" said="A" seq="64"/>
	<ModelledSubgroup NatomsEDS="12" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="9" owab="37.030" phi="-62.3" psi="-39.1" rama="Favored" resname="TYR" resnum="804" rota="t80" rscc="0.910" rsr="0.086" rsrz="-0.073" said="A" seq="65"/>
	<ModelledSubgroup NatomsEDS="6" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="5" owab="38.750" phi="-166.7" psi="-177.3" rama="Favored" resname="SER" resnum="805" rota="p" rscc="0.943" rsr="0.078" rsrz="-0.350" said="A" seq="66"/>
	<ModelledSubgroup NatomsEDS="12" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="9" owab="66.280" phi="-100.8" psi="12.1" rama="Favored" resname="TYR" resnum="806" rota="m-85" rscc="0.928" rsr="0.139" rsrz="1.363" said="A" seq="67">
		<clash atom="HE2" cid="2" clashmag="0.92" dist="1.34"/>
		<clash atom="HE2" cid="20" clashmag="0.68" dist="2.05"/>
		<clash atom="CE2" cid="22" clashmag="0.67" dist="2.24"/>
		<clash atom="CE2" cid="29" clashmag="0.60" dist="2.85"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="4" owab="64.600" phi="-55.0" psi="144.1" rama="Favored" resname="ASP" resnum="807" rota="OUTLIER" rscc="0.803" rsr="0.135" rsrz="0.495" said="A" seq="68"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="4" owab="72.380" phi="-50.5" psi="-44.7" rama="Favored" resname="ASP" resnum="808" rota="t70" rscc="0.674" rsr="0.208" rsrz="1.720" said="A" seq="69"/>
	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="13" owab="66.940" phi="-57.4" psi="-30.1" rama="Favored" resname="LYS" resnum="809" rota="ttpt" rscc="0.834" rsr="0.232" rsrz="1.593" said="A" seq="70">
		<clash atom="HE2" cid="18" clashmag="0.70" dist="1.90"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="6" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="5" owab="40.580" phi="-75.3" psi="-41.0" rama="Favored" resname="SER" resnum="810" rota="m" rscc="0.738" rsr="0.144" rsrz="0.919" said="A" seq="71"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="11" owab="42.980" phi="-131.7" psi="113.5" rama="Favored" resname="ILE" resnum="811" rota="mt" rscc="0.878" rsr="0.168" rsrz="1.893" said="A" seq="72"/>
	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="6" owab="58.380" phi="-55.6" psi="129.5" rama="Favored" resname="GLU" resnum="812" rota="mt-10" rscc="0.742" rsr="0.173" rsrz="0.673" said="A" seq="73"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="6" owab="64.460" phi="-155.6" psi="171.8" rama="Favored" resname="ASN" resnum="813" rota="p30" rscc="0.834" rsr="0.315" rsrz="3.823" said="A" seq="74"/>
	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="9" owab="65.480" phi="-136.1" psi="115.3" rama="Favored" resname="VAL" resnum="814" rota="t" rscc="0.720" rsr="0.307" rsrz="5.561" said="A" seq="75"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="6" owab="74.370" phi="52.2" psi="29.9" rama="Favored" resname="ASN" resnum="815" rota="m120" rscc="0.777" rsr="0.311" rsrz="3.752" said="A" seq="76"/>
	<ModelledSubgroup NatomsEDS="4" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="3" owab="15.360" phi="91.6" psi="-10.9" rama="Favored" resname="GLY" resnum="816" rscc="0.949" rsr="0.070" rsrz="-0.381" said="A" seq="77"/>
	<ModelledSubgroup NatomsEDS="12" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="9" owab="18.170" phi="-81.4" psi="151.4" rama="Favored" resname="TYR" resnum="817" rota="m-85" rscc="0.977" rsr="0.115" rsrz="0.713" said="A" seq="78"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="11" owab="21.020" phi="-100.0" psi="152.6" rama="Favored" resname="LEU" resnum="818" rota="mp" rscc="0.986" rsr="0.132" rsrz="0.908" said="A" seq="79"/>
	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="7" owab="16.470" phi="-127.1" psi="170.6" rama="Favored" resname="THR" resnum="819" rota="p" rscc="0.983" rsr="0.060" rsrz="-0.691" said="A" seq="80"/>
	<ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="5" owab="19.310" phi="-60.5" psi="-21.3" rama="Favored" resname="ALA" resnum="820" rscc="0.967" rsr="0.067" rsrz="-0.505" said="A" seq="81"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="4" owab="21.410" phi="-90.5" psi="1.9" rama="Favored" resname="ASP" resnum="821" rota="m-20" rscc="0.977" rsr="0.039" rsrz="-1.116" said="A" seq="82"/>
	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="7" owab="20.370" phi="-61.5" psi="130.6" rama="Favored" resname="THR" resnum="822" rota="m" rscc="0.979" rsr="0.048" rsrz="-0.952" said="A" seq="83"/>
	<ModelledSubgroup NatomsEDS="14" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="10" owab="25.420" phi="-111.8" psi="158.1" rama="Favored" resname="TRP" resnum="823" rota="m0" rscc="0.960" rsr="0.058" rsrz="-0.841" said="A" seq="84"/>
	<ModelledSubgroup NatomsEDS="12" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="9" owab="25.350" phi="-148.0" psi="163.8" rama="Favored" resname="TYR" resnum="824" rota="p90" rscc="0.930" rsr="0.132" rsrz="1.173" said="A" seq="85"/>
	<ModelledSubgroup NatomsEDS="11" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="13" owab="31.760" phi="-92.0" psi="105.8" rama="Favored" resname="ARG" resnum="825" rota="ttt180" rscc="0.838" rsr="0.131" rsrz="0.253" said="A" seq="86"/>
	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="7" owab="33.950" phi="-67.7" psi="166.1" rama="Favored" resname="PRO" resnum="826" rota="Cg_endo" rscc="0.891" rsr="0.129" rsrz="0.722" said="A" seq="87">
		<clash atom="HG2" cid="1" clashmag="0.96" dist="1.95"/>
		<clash atom="HG2" cid="8" clashmag="0.78" dist="1.64"/>
		<clash atom="CG" cid="5" clashmag="0.87" dist="2.52"/>
		<clash atom="CG" cid="26" clashmag="0.64" dist="2.27"/>
		<clash atom="CG" cid="52" clashmag="0.49" dist="2.37"/>
		<clash atom="HG3" cid="24" clashmag="0.65" dist="2.25"/>
		<clash atom="HG3" cid="34" clashmag="0.56" dist="1.87"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="13" owab="40.410" phi="-67.6" psi="-43.9" rama="Favored" resname="LYS" resnum="827" rota="mttp" rscc="0.922" rsr="0.100" rsrz="-0.473" said="A" seq="88"/>
	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="8" owab="47.980" phi="-127.1" psi="165.4" rama="Favored" resname="GLN" resnum="828" rota="mt-30" rscc="0.818" rsr="0.162" rsrz="0.809" said="A" seq="89"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="11" owab="45.310" phi="-124.6" psi="132.0" rama="Favored" resname="ILE" resnum="829" rota="OUTLIER" rscc="0.882" rsr="0.183" rsrz="2.294" said="A" seq="90">
		<clash atom="CD1" cid="1" clashmag="0.96" dist="1.95"/>
		<clash atom="CD1" cid="5" clashmag="0.87" dist="2.52"/>
		<clash atom="CD1" cid="24" clashmag="0.65" dist="2.25"/>
		<clash atom="HD11" cid="26" clashmag="0.64" dist="2.27"/>
		<clash atom="HD11" cid="34" clashmag="0.56" dist="1.87"/>
		<clash atom="HD13" cid="8" clashmag="0.78" dist="1.64"/>
		<clash atom="HD12" cid="52" clashmag="0.49" dist="2.37"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="11" owab="41.580" phi="-71.2" psi="66.9" rama="Allowed" resname="LEU" resnum="830" rota="tp" rscc="0.862" rsr="0.158" rsrz="1.589" said="A" seq="91">
		<clash atom="HB3" cid="49" clashmag="0.50" dist="1.94"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="13" owab="65.370" phi="-35.4" psi="118.4" rama="Allowed" resname="LYS" resnum="831" rota="OUTLIER" rscc="0.631" rsr="0.324" rsrz="3.033" said="A" seq="92">
		<clash atom="HB3" cid="56" clashmag="0.48" dist="2.14"/>
		<clash atom="CB" cid="51" clashmag="0.49" dist="2.61"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="4" owab="55.830" phi="51.5" psi="33.6" rama="Favored" resname="ASP" resnum="832" rota="t0" rscc="0.769" rsr="0.175" rsrz="1.166" said="A" seq="93"/>
	<ModelledSubgroup NatomsEDS="4" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="3" owab="53.450" phi="65.2" psi="0.5" rama="Favored" resname="GLY" resnum="833" rscc="0.744" rsr="0.222" rsrz="2.588" said="A" seq="94"/>
	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="7" owab="57.250" phi="-124.4" psi="-27.0" rama="Favored" resname="THR" resnum="834" rota="p" rscc="0.822" rsr="0.128" rsrz="0.787" said="A" seq="95"/>
	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="7" owab="63.080" phi="-130.3" psi="113.1" rama="Favored" resname="THR" resnum="835" rota="m" rscc="0.874" rsr="0.136" rsrz="0.961" said="A" seq="96">
		<clash atom="O" cid="51" clashmag="0.49" dist="2.61"/>
		<clash atom="O" cid="56" clashmag="0.48" dist="2.14"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="14" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="10" owab="46.670" phi="-63.3" psi="116.0" rama="Favored" resname="TRP" resnum="836" rota="m95" rscc="0.759" rsr="0.190" rsrz="3.111" said="A" seq="97"/>
	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="7" owab="48.720" phi="-136.0" psi="131.7" rama="Favored" resname="THR" resnum="837" rota="m" rscc="0.540" rsr="0.242" rsrz="3.265" said="A" seq="98"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="4" owab="53.590" phi="-34.9" psi="122.3" rama="Allowed" resname="ASP" resnum="838" rota="m-20" rscc="0.720" rsr="0.153" rsrz="0.797" said="A" seq="99"/>
	<ModelledSubgroup NatomsEDS="6" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="5" owab="46.090" phi="-63.7" psi="151.7" rama="Favored" resname="SER" resnum="839" rota="p" rscc="0.771" rsr="0.127" rsrz="0.592" said="A" seq="100"/>
	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="13" owab="53.980" phi="-96.4" psi="164.8" rama="Favored" resname="LYS" resnum="840" rota="mtmt" rscc="0.946" rsr="0.139" rsrz="0.138" said="A" seq="101"/>
	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="6" owab="35.440" phi="-67.3" psi="-20.4" rama="Favored" resname="GLU" resnum="841" rota="pt-20" rscc="0.857" rsr="0.105" rsrz="-0.328" said="A" seq="102"/>
	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="7" owab="37.790" phi="-87.9" psi="-7.5" rama="Favored" resname="THR" resnum="842" rota="p" rscc="0.943" rsr="0.089" rsrz="-0.061" said="A" seq="103"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="4" owab="37.720" phi="-77.7" psi="51.0" rama="Allowed" resname="ASP" resnum="843" rota="m-20" rscc="0.869" rsr="0.137" rsrz="0.529" said="A" seq="104"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="9" owab="27.580" phi="-68.0" psi="137.1" rama="Favored" resname="MET" resnum="844" rota="mmm" rscc="0.937" rsr="0.123" rsrz="0.582" said="A" seq="105"/>
	<ModelledSubgroup NatomsEDS="11" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="13" owab="27.160" phi="-131.1" psi="146.4" rama="Favored" resname="ARG" resnum="845" rota="mmt-85" rscc="0.840" rsr="0.198" rsrz="1.368" said="A" seq="106">
		<clash atom="NE" cid="25" clashmag="0.64" dist="2.22"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="7" owab="23.250" phi="-72.7" psi="141.0" rama="Favored" resname="PRO" resnum="846" rota="Cg_endo" rscc="0.968" rsr="0.061" rsrz="-0.661" said="A" seq="107"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="11" owab="26.130" phi="-62.4" psi="-28.8" rama="Favored" resname="ILE" resnum="847" rota="tt" rscc="0.977" rsr="0.076" rsrz="-0.567" said="A" seq="108"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="11" owab="26.920" phi="-71.1" psi="-4.2" rama="Favored" resname="LEU" resnum="848" rota="mt" rscc="0.969" rsr="0.107" rsrz="0.254" said="A" seq="109"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="9" owab="32.220" phi="-79.3" psi="-20.4" rama="Favored" resname="MET" resnum="849" rota="ttp" rscc="0.948" rsr="0.137" rsrz="0.882" said="A" seq="110"/>
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	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="6" owab="32.790" phi="-169.4" psi="174.2" rama="Favored" resname="ASN" resnum="854" rota="p30" rscc="0.969" rsr="0.056" rsrz="-0.802" said="A" seq="115"/>
	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="7" owab="35.170" phi="-72.0" psi="-32.9" rama="Favored" resname="THR" resnum="855" rota="p" rscc="0.960" rsr="0.081" rsrz="-0.235" said="A" seq="116"/>
	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="9" owab="33.140" phi="-59.4" psi="-43.5" rama="Favored" resname="VAL" resnum="856" rota="t" rscc="0.970" rsr="0.063" rsrz="-0.809" said="A" seq="117"/>
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	<ModelledSubgroup NatomsEDS="12" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="9" owab="28.740" phi="-69.5" psi="-40.3" rama="Favored" resname="TYR" resnum="860" rota="t80" rscc="0.952" rsr="0.117" rsrz="0.767" said="A" seq="121"/>
	<ModelledSubgroup NatomsEDS="12" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="9" owab="29.840" phi="-55.7" psi="-48.2" rama="Favored" resname="TYR" resnum="861" rota="t80" rscc="0.953" rsr="0.113" rsrz="0.659" said="A" seq="122"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="11" owab="34.580" phi="-58.4" psi="-51.5" rama="Favored" resname="LEU" resnum="862" rota="mt" rscc="0.926" rsr="0.149" rsrz="1.353" said="A" seq="123"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="6" owab="36.210" phi="-55.0" psi="-39.7" rama="Favored" resname="ASN" resnum="863" rota="m-20" rscc="0.954" rsr="0.088" rsrz="-0.230" said="A" seq="124"/>
	<ModelledSubgroup NatomsEDS="12" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="9" owab="33.640" phi="-74.3" psi="-40.1" rama="Favored" resname="TYR" resnum="864" rota="t80" rscc="0.929" rsr="0.080" rsrz="-0.236" said="A" seq="125">
		<clash atom="HE1" cid="17" clashmag="0.72" dist="1.52"/>
		<clash atom="HE1" cid="31" clashmag="0.58" dist="2.15"/>
		<clash atom="CE1" cid="7" clashmag="0.81" dist="2.16"/>
		<clash atom="OH" cid="14" clashmag="0.74" dist="1.87"/>
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	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="9" owab="33.530" phi="-71.3" psi="-33.2" rama="Favored" resname="MET" resnum="865" rota="mmt" rscc="0.964" rsr="0.098" rsrz="0.045" said="A" seq="126"/>
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	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="A" ent="1" flippable-sidechain="1" icode=" " model="1" num-H-reduce="8" owab="51.950" phi="-71.7" psi="-43.1" rama="Favored" resname="GLN" resnum="867" rota="tt0" rscc="0.905" rsr="0.151" rsrz="0.625" said="A" seq="128"/>
	<ModelledSubgroup NatomsEDS="12" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="9" owab="44.760" phi="-104.2" psi="-22.2" rama="Favored" resname="TYR" resnum="868" rota="m-85" rscc="0.928" rsr="0.121" rsrz="0.875" said="A" seq="129"/>
	<ModelledSubgroup NatomsEDS="4" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="3" owab="40.140" phi="-93.9" psi="-21.1" rama="Favored" resname="GLY" resnum="869" rscc="0.891" rsr="0.062" rsrz="-0.537" said="A" seq="130"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="6" owab="49.170" phi="52.3" psi="38.1" rama="Favored" resname="ASN" resnum="870" rota="m120" rscc="0.908" rsr="0.158" rsrz="1.020" said="A" seq="131"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="11" owab="41.080" phi="-100.4" psi="7.4" rama="Favored" resname="LEU" resnum="871" rota="mt" rscc="0.906" rsr="0.142" rsrz="1.170" said="A" seq="132"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="11" owab="45.120" phi="-148.8" psi="158.2" rama="Favored" resname="LEU" resnum="872" rota="mt" rscc="0.786" rsr="0.157" rsrz="1.563" said="A" seq="133"/>
	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="7" owab="52.450" phi="-52.6" psi="137.7" rama="Favored" resname="PRO" resnum="873" rota="Cg_exo" rscc="0.830" rsr="0.130" rsrz="0.742" said="A" seq="134"/>
	<ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="5" owab="59.510" phi="-62.4" psi="-22.0" rama="Favored" resname="ALA" resnum="874" rscc="0.941" rsr="0.189" rsrz="2.243" said="A" seq="135"/>
	<ModelledSubgroup NatomsEDS="6" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="5" owab="57.470" phi="-96.7" psi="4.0" rama="Favored" resname="SER" resnum="875" rota="p" rscc="0.827" rsr="0.153" rsrz="1.092" said="A" seq="136"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="11" owab="45.620" phi="-73.1" psi="138.6" rama="Favored" resname="LEU" resnum="876" rota="tp" rscc="0.844" rsr="0.150" rsrz="1.380" said="A" seq="137">
		<clash atom="HA" cid="80" clashmag="0.41" dist="1.91"/>
		<clash atom="HD21" cid="53" clashmag="0.49" dist="2.48"/>
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	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="7" owab="54.910" phi="-69.5" psi="145.4" rama="Favored" resname="PRO" resnum="877" rota="Cg_exo" rscc="0.777" rsr="0.137" rsrz="0.884" said="A" seq="138">
		<clash atom="HD3" cid="80" clashmag="0.41" dist="1.91"/>
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	<ModelledSubgroup NatomsEDS="6" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="5" owab="48.140" phi="-52.9" psi="149.1" rama="Favored" resname="SER" resnum="878" rota="m" rscc="0.892" rsr="0.094" rsrz="-0.042" said="A" seq="139"/>
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	<ModelledSubgroup NatomsEDS="6" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="5" owab="51.850" phi="-106.0" psi="156.4" rama="Favored" resname="SER" resnum="880" rota="p" rscc="0.888" rsr="0.119" rsrz="0.438" said="A" seq="141">
		<clash atom="O" cid="54" clashmag="0.49" dist="2.45"/>
		<clash atom="O" cid="59" clashmag="0.46" dist="2.49"/>
		<clash atom="C" cid="69" clashmag="0.43" dist="2.70"/>
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	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="7" owab="59.290" phi="-44.8" psi="-18.3" rama="OUTLIER" resname="THR" resnum="881" rota="p" rscc="0.819" rsr="0.189" rsrz="2.113" said="A" seq="142"/>
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		<clash atom="N" cid="59" clashmag="0.46" dist="2.49"/>
		<clash atom="N" cid="69" clashmag="0.43" dist="2.70"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="5" owab="61.850" phi="-69.3" psi="134.8" rama="Favored" resname="ALA" resnum="883" rscc="0.894" rsr="0.153" rsrz="1.432" said="A" seq="144">
		<clash atom="N" cid="54" clashmag="0.49" dist="2.45"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="4" owab="66.200" phi="-65.6" psi="144.8" rama="Favored" resname="ASP" resnum="884" rota="t0" rscc="0.772" rsr="0.267" rsrz="2.710" said="A" seq="145">
		<clash atom="C" cid="64" clashmag="0.45" dist="2.55"/>
		<clash atom="OD1" cid="21" clashmag="0.68" dist="2.27"/>
		<clash atom="OD1" cid="64" clashmag="0.45" dist="2.55"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="6" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="5" owab="56.320" phi="-70.3" psi="-45.7" rama="Favored" resname="SER" resnum="885" rota="p" rscc="0.832" rsr="0.198" rsrz="1.958" said="A" seq="146">
		<clash atom="N" cid="21" clashmag="0.68" dist="2.27"/>
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	<ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="5" owab="52.280" phi="-54.1" psi="-41.6" rama="Favored" resname="ALA" resnum="886" rscc="0.962" rsr="0.230" rsrz="3.167" said="A" seq="147"/>
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	<ModelledSubgroup NatomsEDS="12" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="9" owab="42.800" phi="-62.2" psi="-21.8" rama="Favored" resname="TYR" resnum="891" rota="m-85" rscc="0.818" rsr="0.132" rsrz="1.173" said="A" seq="152">
		<clash atom="CE1" cid="53" clashmag="0.49" dist="2.48"/>
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	<ModelledSubgroup NatomsEDS="6" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="5" owab="38.390" phi="-72.3" psi="-43.8" rama="Favored" resname="SER" resnum="892" rota="m" rscc="0.903" rsr="0.089" rsrz="-0.138" said="A" seq="153"/>
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		<bond-outlier atom0="C" atom1="N" link="yes" mean="1.336" obs="1.468" stdev="0.023" z="5.73"/>
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	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="11" owab="40.280" phi="-51.6" psi="-49.0" rama="Favored" resname="LEU" resnum="894" rota="tp" rscc="0.923" rsr="0.103" rsrz="0.149" said="A" seq="155"/>
	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="9" owab="37.580" phi="-56.6" psi="-34.6" rama="Favored" resname="VAL" resnum="895" rota="t" rscc="0.844" rsr="0.224" rsrz="3.394" said="A" seq="156">
		<clash atom="O" cid="30" clashmag="0.59" dist="2.02"/>
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	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="8" owab="44.510" phi="-70.3" psi="-46.4" rama="Favored" resname="GLN" resnum="896" rota="tt0" rscc="0.812" rsr="0.222" rsrz="1.814" said="A" seq="157"/>
	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="8" owab="49.370" phi="-55.1" psi="-39.6" rama="Favored" resname="GLN" resnum="897" rota="mt-30" rscc="0.754" rsr="0.161" rsrz="0.792" said="A" seq="158">
		<clash atom="O" cid="37" clashmag="0.55" dist="2.07"/>
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	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="6" owab="48.930" phi="-73.6" psi="-38.7" rama="Favored" resname="ASN" resnum="898" rota="m-20" rscc="0.859" rsr="0.179" rsrz="1.395" said="A" seq="159"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="11" owab="37.700" phi="-55.3" psi="-42.7" rama="Favored" resname="ILE" resnum="899" rota="mt" rscc="0.729" rsr="0.238" rsrz="3.765" said="A" seq="160">
		<clash atom="HG13" cid="30" clashmag="0.59" dist="2.02"/>
		<clash atom="O" cid="13" clashmag="0.75" dist="1.87"/>
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	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="6" owab="44.010" phi="-75.8" psi="-35.2" rama="Favored" resname="GLU" resnum="900" rota="mm-40" rscc="0.859" rsr="0.146" rsrz="0.275" said="A" seq="161">
		<clash atom="HG3" cid="49" clashmag="0.50" dist="1.94"/>
		<clash atom="OE2" cid="25" clashmag="0.64" dist="2.22"/>
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	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="13" owab="50.640" phi="-58.5" psi="-44.6" rama="Favored" resname="LYS" resnum="901" rota="mttt" rscc="0.902" rsr="0.131" rsrz="0.013" said="A" seq="162">
		<clash atom="HG3" cid="37" clashmag="0.55" dist="2.07"/>
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	<ModelledSubgroup NatomsEDS="11" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="13" owab="44.760" phi="-64.5" psi="-39.4" rama="Favored" resname="ARG" resnum="902" rota="ttm180" rscc="0.871" rsr="0.122" rsrz="0.103" said="A" seq="163">
		<clash atom="O" cid="83" clashmag="0.41" dist="2.20"/>
		<clash atom="HA" cid="10" clashmag="0.77" dist="1.65"/>
		<clash atom="HA" cid="85" clashmag="0.40" dist="2.42"/>
		<clash atom="CA" cid="57" clashmag="0.47" dist="2.39"/>
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	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="11" owab="45.710" phi="-63.5" psi="-42.5" rama="Favored" resname="ILE" resnum="903" rota="mt" rscc="0.672" rsr="0.203" rsrz="2.829" said="A" seq="164">
		<clash atom="HG13" cid="13" clashmag="0.75" dist="1.87"/>
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		<clash atom="HG2" cid="57" clashmag="0.47" dist="2.39"/>
		<clash atom="HG2" cid="83" clashmag="0.41" dist="2.20"/>
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		<clash atom="HD2" cid="17" clashmag="0.72" dist="1.52"/>
		<clash atom="HE2" cid="14" clashmag="0.74" dist="1.87"/>
		<clash atom="CD" cid="31" clashmag="0.58" dist="2.15"/>
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		<clash atom="CD1" cid="45" clashmag="0.51" dist="2.46"/>
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	<ModelledSubgroup NatomsEDS="12" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="9" owab="21.670" phi="-69.1" psi="150.2" rama="Favored" resname="TYR" resnum="1618" rota="m-85" rscc="0.962" rsr="0.071" rsrz="-0.480" said="A" seq="879"/>
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		<clash atom="CD2" cid="20" clashmag="0.68" dist="2.05"/>
		<clash atom="CD2" cid="29" clashmag="0.60" dist="2.85"/>
		<clash atom="HD23" cid="2" clashmag="0.92" dist="1.34"/>
		<clash atom="HD23" cid="22" clashmag="0.67" dist="2.24"/>
		<clash atom="HD22" cid="38" clashmag="0.54" dist="2.27"/>
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	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="7" owab="30.430" phi="-51.7" psi="142.2" rama="Favored" resname="PRO" resnum="1629" rota="Cg_exo" rscc="0.931" rsr="0.071" rsrz="-0.457" said="A" seq="890"/>
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		<clash atom="CD" cid="16" clashmag="0.72" dist="1.92"/>
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		<clash atom="H" cid="16" clashmag="0.72" dist="1.92"/>
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	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="A" ent="1" icode=" " model="1" num-H-reduce="6" owab="42.380" resname="GLU" resnum="1751" rota="pt-20" rscc="0.865" rsr="0.185" rsrz="0.850" said="A" seq="1012"/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="2" icode=" " model="1" mogul-ignore="yes" owab="9.940" resname="CA" resnum="1" rscc="0.992" rsr="0.052" said="B" seq="."/>
	<ModelledSubgroup NatomsEDS="6" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " ligand_clashes_outlier="yes" ligand_num_clashes="8" ligand_num_symm_clashes="0" model="1" mogul_angles_rmsz="0.82" mogul_bonds_rmsz="0.22" mogul_rmsz_numangles="5" mogul_rmsz_numbonds="5" num-H-reduce="8" owab="34.030" resname="GOL" resnum="1779" rscc="0.844" rsr="0.128" said="C" seq=".">
		<clash atom="C3" cid="9" clashmag="0.77" dist="1.97"/>
		<clash atom="C3" cid="15" clashmag="0.72" dist="2.52"/>
		<clash atom="O1" cid="67" clashmag="0.44" dist="2.26"/>
		<clash atom="O3" cid="67" clashmag="0.44" dist="2.26"/>
		<clash atom="C2" cid="55" clashmag="0.48" dist="2.26"/>
		<clash atom="H31" cid="3" clashmag="0.90" dist="1.87"/>
		<clash atom="H31" cid="4" clashmag="0.87" dist="2.04"/>
		<clash atom="H31" cid="6" clashmag="0.85" dist="1.42"/>
		<clash atom="H31" cid="11" clashmag="0.77" dist="1.66"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="6" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" mogul_angles_rmsz="0.57" mogul_bonds_rmsz="0.25" mogul_rmsz_numangles="5" mogul_rmsz_numbonds="5" num-H-reduce="8" owab="27.560" resname="GOL" resnum="1780" rscc="0.916" rsr="0.127" said="D" seq="."/>
	<ModelledSubgroup NatomsEDS="6" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" mogul_angles_rmsz="0.61" mogul_bonds_rmsz="0.28" mogul_rmsz_numangles="5" mogul_rmsz_numbonds="5" num-H-reduce="8" owab="11.070" resname="GOL" resnum="1781" rscc="0.973" rsr="0.093" said="E" seq="."/>
	<ModelledSubgroup NatomsEDS="6" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" mogul_angles_rmsz="0.24" mogul_bonds_rmsz="0.36" mogul_rmsz_numangles="5" mogul_rmsz_numbonds="5" num-H-reduce="8" owab="22.710" resname="GOL" resnum="1782" rscc="0.947" rsr="0.068" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="6" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" mogul_angles_rmsz="0.39" mogul_bonds_rmsz="0.41" mogul_rmsz_numangles="5" mogul_rmsz_numbonds="5" num-H-reduce="8" owab="33.000" resname="GOL" resnum="1783" rscc="0.849" rsr="0.204" said="G" seq=".">
		<clash atom="C3" cid="43" clashmag="0.52" dist="2.27"/>
		<clash atom="C1" cid="68" clashmag="0.44" dist="2.65"/>
		<clash atom="H32" cid="0" clashmag="1.11" dist="1.47"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="6" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" mogul_angles_rmsz="0.82" mogul_bonds_rmsz="0.37" mogul_rmsz_numangles="5" mogul_rmsz_numbonds="5" num-H-reduce="8" owab="22.630" resname="GOL" resnum="1784" rscc="0.956" rsr="0.116" said="H" seq="."/>
	<ModelledSubgroup NatomsEDS="6" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" mogul_angles_rmsz="0.74" mogul_bonds_rmsz="0.14" mogul_rmsz_numangles="5" mogul_rmsz_numbonds="5" num-H-reduce="8" owab="30.650" resname="GOL" resnum="1785" rscc="0.916" rsr="0.123" said="I" seq="."/>
	<ModelledSubgroup NatomsEDS="6" altcode=" " avgoccu="1.000" chain="A" ent="3" icode=" " model="1" mogul_angles_rmsz="0.58" mogul_bonds_rmsz="0.30" mogul_rmsz_numangles="5" mogul_rmsz_numbonds="5" num-H-reduce="8" owab="38.850" resname="GOL" resnum="1786" rscc="0.830" rsr="0.176" said="J" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="9.610" resname="HOH" resnum="2" rscc="0.969" rsr="0.106" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="10.900" resname="HOH" resnum="3" rscc="0.991" rsr="0.179" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="11.330" resname="HOH" resnum="4" rscc="0.982" rsr="0.102" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="9.490" resname="HOH" resnum="5" rscc="0.991" rsr="0.101" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="8.840" resname="HOH" resnum="6" rscc="0.985" rsr="0.139" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="9.370" resname="HOH" resnum="7" rscc="0.990" rsr="0.118" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="9.140" resname="HOH" resnum="8" rscc="0.986" rsr="0.070" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="12.060" resname="HOH" resnum="9" rscc="0.984" rsr="0.079" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="10.080" resname="HOH" resnum="10" rscc="0.992" rsr="0.062" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="12.420" resname="HOH" resnum="11" rscc="0.992" rsr="0.138" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="10.870" resname="HOH" resnum="12" rscc="0.971" rsr="0.076" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="15.500" resname="HOH" resnum="13" rscc="0.959" rsr="0.097" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="11.360" resname="HOH" resnum="14" rscc="0.993" rsr="0.095" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="11.500" resname="HOH" resnum="15" rscc="0.970" rsr="0.096" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="10.400" resname="HOH" resnum="16" rscc="0.995" rsr="0.093" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="10.820" resname="HOH" resnum="17" rscc="0.986" rsr="0.113" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="9.960" resname="HOH" resnum="18" rscc="0.996" rsr="0.145" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="10.350" resname="HOH" resnum="19" rscc="0.995" rsr="0.142" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="13.860" resname="HOH" resnum="20" rscc="0.986" rsr="0.145" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="11.440" resname="HOH" resnum="21" rscc="0.995" rsr="0.138" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="12.360" resname="HOH" resnum="22" rscc="0.994" rsr="0.157" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="16.250" resname="HOH" resnum="23" rscc="0.958" rsr="0.067" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="15.620" resname="HOH" resnum="24" rscc="0.981" rsr="0.130" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="11.170" resname="HOH" resnum="25" rscc="0.995" rsr="0.077" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="10.820" resname="HOH" resnum="26" rscc="0.983" rsr="0.082" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="12.360" resname="HOH" resnum="27" rscc="0.982" rsr="0.049" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="13.250" resname="HOH" resnum="28" rscc="0.990" rsr="0.111" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="13.360" resname="HOH" resnum="29" rscc="0.990" rsr="0.060" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="13.740" resname="HOH" resnum="30" rscc="0.975" rsr="0.107" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="10.750" resname="HOH" resnum="31" rscc="0.993" rsr="0.061" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="9.960" resname="HOH" resnum="32" rscc="0.994" rsr="0.050" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="10.250" resname="HOH" resnum="33" rscc="0.983" rsr="0.100" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="10.640" resname="HOH" resnum="34" rscc="0.989" rsr="0.087" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="19.460" resname="HOH" resnum="35" rscc="0.985" rsr="0.205" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="13.830" resname="HOH" resnum="36" rscc="0.971" rsr="0.159" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="14.660" resname="HOH" resnum="37" rscc="0.983" rsr="0.058" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="12.230" resname="HOH" resnum="38" rscc="0.990" rsr="0.157" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="13.790" resname="HOH" resnum="39" rscc="0.983" rsr="0.109" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="16.320" resname="HOH" resnum="40" rscc="0.990" rsr="0.040" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="10.750" resname="HOH" resnum="41" rscc="0.989" rsr="0.108" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="15.000" resname="HOH" resnum="42" rscc="0.950" rsr="0.230" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="11.970" resname="HOH" resnum="43" rscc="0.988" rsr="0.132" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="11.570" resname="HOH" resnum="44" rscc="0.985" rsr="0.095" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="11.640" resname="HOH" resnum="45" rscc="0.983" rsr="0.123" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="12.340" resname="HOH" resnum="46" rscc="0.992" rsr="0.141" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="19.120" resname="HOH" resnum="47" rscc="0.979" rsr="0.087" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="14.670" resname="HOH" resnum="48" rscc="0.982" rsr="0.078" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="15.680" resname="HOH" resnum="49" rscc="0.979" rsr="0.102" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="14.590" resname="HOH" resnum="50" rscc="0.979" rsr="0.160" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="13.600" resname="HOH" resnum="51" rscc="0.971" rsr="0.173" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="13.310" resname="HOH" resnum="52" rscc="0.990" rsr="0.071" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="15.070" resname="HOH" resnum="53" rscc="0.974" rsr="0.078" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="15.180" resname="HOH" resnum="54" rscc="0.987" rsr="0.058" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="14.800" resname="HOH" resnum="55" rscc="0.971" rsr="0.068" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="17.030" resname="HOH" resnum="56" rscc="0.971" rsr="0.069" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="16.910" resname="HOH" resnum="57" rscc="0.970" rsr="0.082" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="14.790" resname="HOH" resnum="58" rscc="0.985" rsr="0.049" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="13.870" resname="HOH" resnum="59" rscc="0.983" rsr="0.035" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="12.970" resname="HOH" resnum="60" rscc="0.986" rsr="0.179" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="13.590" resname="HOH" resnum="61" rscc="0.989" rsr="0.056" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="13.990" resname="HOH" resnum="62" rscc="0.980" rsr="0.067" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="16.360" resname="HOH" resnum="63" rscc="0.981" rsr="0.057" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="16.780" resname="HOH" resnum="64" rscc="0.941" rsr="0.066" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="14.200" resname="HOH" resnum="65" rscc="0.971" rsr="0.053" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="9.570" resname="HOH" resnum="66" rscc="0.995" rsr="0.113" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="14.670" resname="HOH" resnum="67" rscc="0.969" rsr="0.067" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="21.720" resname="HOH" resnum="68" rscc="0.970" rsr="0.037" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="13.870" resname="HOH" resnum="69" rscc="0.993" rsr="0.033" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="11.950" resname="HOH" resnum="70" rscc="0.990" rsr="0.069" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="10.590" resname="HOH" resnum="71" rscc="0.994" rsr="0.061" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="16.030" resname="HOH" resnum="72" rscc="0.989" rsr="0.090" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="15.040" resname="HOH" resnum="73" rscc="0.959" rsr="0.059" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="19.740" resname="HOH" resnum="74" rscc="0.974" rsr="0.042" said="K" seq="."/>
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		<clash atom="O" cid="0" clashmag="1.11" dist="1.47"/>
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		<clash atom="O" cid="32" clashmag="0.57" dist="1.87"/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="16.390" resname="HOH" resnum="365" rscc="0.983" rsr="0.043" said="K" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="19.370" resname="HOH" resnum="452" rscc="0.969" rsr="0.098" said="K" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="26.180" resname="HOH" resnum="459" rscc="0.933" rsr="0.132" said="K" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="20.790" resname="HOH" resnum="461" rscc="0.896" rsr="0.129" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="29.810" resname="HOH" resnum="462" rscc="0.938" rsr="0.058" said="K" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="26.720" resname="HOH" resnum="465" rscc="0.878" rsr="0.146" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="22.470" resname="HOH" resnum="466" rscc="0.955" rsr="0.092" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="25.400" resname="HOH" resnum="467" rscc="0.933" rsr="0.123" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="20.110" resname="HOH" resnum="468" rscc="0.968" rsr="0.066" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="17.600" resname="HOH" resnum="469" rscc="0.949" rsr="0.062" said="K" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="26.210" resname="HOH" resnum="472" rscc="0.972" rsr="0.087" said="K" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="20.410" resname="HOH" resnum="475" rscc="0.938" rsr="0.099" said="K" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="23.910" resname="HOH" resnum="477" rscc="0.964" rsr="0.115" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="23.920" resname="HOH" resnum="478" rscc="0.910" rsr="0.065" said="K" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="15.110" resname="HOH" resnum="480" rscc="0.984" rsr="0.100" said="K" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="28.310" resname="HOH" resnum="484" rscc="0.935" rsr="0.095" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="26.310" resname="HOH" resnum="485" rscc="0.880" rsr="0.137" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="25.760" resname="HOH" resnum="486" rscc="0.926" rsr="0.086" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="27.090" resname="HOH" resnum="487" rscc="0.917" rsr="0.090" said="K" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="19.140" resname="HOH" resnum="573" rscc="0.938" rsr="0.081" said="K" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="23.410" resname="HOH" resnum="576" rscc="0.919" rsr="0.148" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="16.610" resname="HOH" resnum="577" rscc="0.972" rsr="0.066" said="K" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="25.550" resname="HOH" resnum="579" rscc="0.953" rsr="0.082" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="29.110" resname="HOH" resnum="580" rscc="0.971" rsr="0.203" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="27.200" resname="HOH" resnum="581" rscc="0.911" rsr="0.062" said="K" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="28.640" resname="HOH" resnum="583" rscc="0.857" rsr="0.085" said="K" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="17.020" resname="HOH" resnum="586" rscc="0.955" rsr="0.053" said="K" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="28.940" resname="HOH" resnum="588" rscc="0.892" rsr="0.226" said="K" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="29.390" resname="HOH" resnum="592" rscc="0.964" rsr="0.246" said="K" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="17.120" resname="HOH" resnum="594" rscc="0.958" rsr="0.075" said="K" seq="."/>
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		<clash atom="O" cid="61" clashmag="0.45" dist="2.49"/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="30.890" resname="HOH" resnum="678" rscc="0.907" rsr="0.180" said="K" seq="."/>
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		<clash atom="O" cid="62" clashmag="0.45" dist="2.16"/>
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		<clash atom="O" cid="28" clashmag="0.61" dist="1.99"/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="34.090" resname="HOH" resnum="1947" rscc="0.862" rsr="0.206" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="33.300" resname="HOH" resnum="1948" rscc="0.870" rsr="0.285" said="K" seq=".">
		<clash atom="O" cid="12" clashmag="0.75" dist="1.85"/>
		<clash atom="O" cid="19" clashmag="0.69" dist="2.37"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="34.180" resname="HOH" resnum="1949" rscc="0.802" rsr="0.199" said="K" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="37.240" resname="HOH" resnum="1958" rscc="0.683" rsr="0.161" said="K" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="33.070" resname="HOH" resnum="1964" rscc="0.929" rsr="0.095" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="31.520" resname="HOH" resnum="1965" rscc="0.945" rsr="0.070" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="35.670" resname="HOH" resnum="1966" rscc="0.795" rsr="0.204" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="36.550" resname="HOH" resnum="1967" rscc="0.893" rsr="0.288" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="32.080" resname="HOH" resnum="1968" rscc="0.809" rsr="0.138" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="27.660" resname="HOH" resnum="1969" rscc="0.874" rsr="0.193" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="29.770" resname="HOH" resnum="1970" rscc="0.909" rsr="0.101" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="30.930" resname="HOH" resnum="1971" rscc="0.888" rsr="0.148" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="32.750" resname="HOH" resnum="1972" rscc="0.891" rsr="0.151" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="32.920" resname="HOH" resnum="1973" rscc="0.892" rsr="0.190" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="30.670" resname="HOH" resnum="1974" rscc="0.854" rsr="0.209" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="37.950" resname="HOH" resnum="1975" rscc="0.947" rsr="0.053" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="27.330" resname="HOH" resnum="1976" rscc="0.958" rsr="0.255" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="35.810" resname="HOH" resnum="1977" rscc="0.708" rsr="0.285" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="25.640" resname="HOH" resnum="1978" rscc="0.936" rsr="0.112" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="25.340" resname="HOH" resnum="1979" rscc="0.823" rsr="0.125" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="42.470" resname="HOH" resnum="1980" rscc="0.745" rsr="0.245" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="34.000" resname="HOH" resnum="1981" rscc="0.864" rsr="0.157" said="K" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="32.280" resname="HOH" resnum="1984" rscc="0.868" rsr="0.209" said="K" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="32.360" resname="HOH" resnum="1988" rscc="0.888" rsr="0.189" said="K" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="28.530" resname="HOH" resnum="2001" rscc="0.863" rsr="0.132" said="K" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="34.230" resname="HOH" resnum="2058" rscc="0.891" rsr="0.116" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="33.160" resname="HOH" resnum="2059" rscc="0.886" rsr="0.093" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="35.400" resname="HOH" resnum="2060" rscc="0.950" rsr="0.391" said="K" seq=".">
		<clash atom="O" cid="18" clashmag="0.70" dist="1.90"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="27.210" resname="HOH" resnum="2061" rscc="0.946" rsr="0.167" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="26.270" resname="HOH" resnum="2062" rscc="0.894" rsr="0.172" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="32.520" resname="HOH" resnum="2063" rscc="0.910" rsr="0.232" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="32.620" resname="HOH" resnum="2064" rscc="0.874" rsr="0.088" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="33.340" resname="HOH" resnum="2065" rscc="0.888" rsr="0.085" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="30.780" resname="HOH" resnum="2066" rscc="0.954" rsr="0.175" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="30.440" resname="HOH" resnum="2067" rscc="0.960" rsr="0.227" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="39.290" resname="HOH" resnum="2068" rscc="0.814" rsr="0.387" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="33.090" resname="HOH" resnum="2069" rscc="0.966" rsr="0.255" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="29.910" resname="HOH" resnum="2070" rscc="0.936" rsr="0.199" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="30.420" resname="HOH" resnum="2071" rscc="0.958" rsr="0.459" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="36.850" resname="HOH" resnum="2072" rscc="0.900" rsr="0.413" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="35.340" resname="HOH" resnum="2073" rscc="0.784" rsr="0.458" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="29.240" resname="HOH" resnum="2074" rscc="0.899" rsr="0.226" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="38.630" resname="HOH" resnum="2075" rscc="0.801" rsr="0.169" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="28.910" resname="HOH" resnum="2076" rscc="0.925" rsr="0.125" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="30.350" resname="HOH" resnum="2077" rscc="0.927" rsr="0.094" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="33.100" resname="HOH" resnum="2078" rscc="0.922" rsr="0.239" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="31.260" resname="HOH" resnum="2079" rscc="0.910" rsr="0.154" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="36.040" resname="HOH" resnum="2080" rscc="0.643" rsr="0.213" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="29.020" resname="HOH" resnum="2081" rscc="0.958" rsr="0.188" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="32.740" resname="HOH" resnum="2082" rscc="0.917" rsr="0.152" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="36.780" resname="HOH" resnum="2083" rscc="0.967" rsr="0.244" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="32.400" resname="HOH" resnum="2084" rscc="0.963" rsr="0.317" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="31.900" resname="HOH" resnum="2085" rscc="0.740" rsr="0.193" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="31.070" resname="HOH" resnum="2086" rscc="0.883" rsr="0.127" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="25.250" resname="HOH" resnum="2087" rscc="0.978" rsr="0.052" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="35.450" resname="HOH" resnum="2088" rscc="0.851" rsr="0.171" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="31.320" resname="HOH" resnum="2089" rscc="0.859" rsr="0.090" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="30.000" resname="HOH" resnum="2090" rscc="0.974" rsr="0.330" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="31.070" resname="HOH" resnum="2091" rscc="0.907" rsr="0.240" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="31.460" resname="HOH" resnum="2092" rscc="0.915" rsr="0.083" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="33.870" resname="HOH" resnum="2093" rscc="0.878" rsr="0.253" said="K" seq=".">
		<clash atom="O" cid="74" clashmag="0.42" dist="2.19"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="30.510" resname="HOH" resnum="2094" rscc="0.932" rsr="0.423" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="21.350" resname="HOH" resnum="2095" rscc="0.964" rsr="0.147" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="30.220" resname="HOH" resnum="2096" rscc="0.800" rsr="0.092" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="31.930" resname="HOH" resnum="2097" rscc="0.864" rsr="0.131" said="K" seq=".">
		<clash atom="O" cid="78" clashmag="0.41" dist="2.53"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="29.510" resname="HOH" resnum="2098" rscc="0.964" rsr="0.238" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="31.080" resname="HOH" resnum="2099" rscc="0.920" rsr="0.062" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="28.580" resname="HOH" resnum="2100" rscc="0.922" rsr="0.112" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="26.430" resname="HOH" resnum="2101" rscc="0.909" rsr="0.119" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="23.860" resname="HOH" resnum="2102" rscc="0.925" rsr="0.133" said="K" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="A" ent="4" icode=" " model="1" owab="34.790" resname="HOH" resnum="2103" rscc="0.828" rsr="0.167" said="K" seq="."/>
	<ModelledEntityInstance absolute_RSRZ_percentile="55.60" absolute_rama_percentile="43.00" absolute_sidechain_percentile="65.48" angles_rmsz="0.74" bonds_rmsz="0.74" chain="A" ent="1" model="1" num_angles_rmsz="11114" num_bonds_rmsz="8170" relative_RSRZ_percentile="56.36" relative_rama_percentile="22.29" relative_sidechain_percentile="42.87" said="A"/>
	<programs>
		<program name="dcc" properties="DCC_R,DCC_refinement_program,B_factor_type,DCC_Rfree" version="2.23  (2018-02-06)"/>
		<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="trunk31020"/>
		<program name="mogul" properties="mogul_rmsz_numangles,mogul_angles_rmsz,mogul-torsion-outlier,mogul-angle-outlier,mogul-bond-outlier,mogul_bonds_rmsz,mogul-ignore,mogul-ring-outlier,mogul_rmsz_numbonds" version="1.7.3 (157068), CSD as539be (2018)"/>
		<program name="eds" properties="percent-RSRZ-outliers,num-free-reflections,rscc,rsr,NatomsEDS,relative_RSRZ_percentile,rsrz,Fo_Fc_correlation,owab,EDS_R,bulk_solvent_k,percent-free-reflections,DataCompleteness,avgoccu,EDS_resolution_low,EDS_resolution,RefmacVersion,absolute_RSRZ_percentile,CCP4version,bulk_solvent_b" version="trunk31020"/>
		<program name="xtriage" properties="xtriage_input_columns,numMillerIndices,DataAnisotropy,TransNCS,centric_outliers,TwinL,acentric_outliers,WilsonBestimate,TwinL2,IoverSigma,WilsonBaniso" version="1.13"/>
		<program name="molprobity" properties="relative_rama_percentile,ligand_num_clashes,absolute_sidechain_percentile,angles_rmsz,absolute_rama_percentile,phi,psi,num-H-reduce,clash,relative_sidechain_percentile,clashscore,bonds_rmsz,percent-rama-outliers,ligand_clashes_outlier,percent-rota-outliers,flippable-sidechain,bond-outlier,angle-outlier,num_bonds_rmsz,ligand_num_symm_clashes,RestypesNotcheckedForBondAngleGeometry,rota,num_angles_rmsz,rama" version="4.02b-467"/>
		<program name="percentiles" properties="numPDBids-absolute-percentile-percent-rota-outliers,high-resol-relative-percentile-percent-rota-outliers,absolute-percentile-percent-RSRZ-outliers,relative-percentile-percent-rama-outliers,absolute-percentile-percent-rama-outliers,absolute-percentile-clashscore,absolute-percentile-percent-rota-outliers,relative-percentile-clashscore,high-resol-relative-percentile-percent-rama-outliers,numPDBids-relative-percentile-percent-RSRZ-outliers,numPDBids-relative-percentile-DCC_Rfree,absolute-percentile-DCC_Rfree,relative-percentile-DCC_Rfree,relative-percentile-percent-RSRZ-outliers,low-resol-relative-percentile-percent-RSRZ-outliers,numPDBids-relative-percentile-percent-rama-outliers,numPDBids-relative-percentile-clashscore,high-resol-relative-percentile-clashscore,numPDBids-absolute-percentile-percent-RSRZ-outliers,low-resol-relative-percentile-clashscore,numPDBids-relative-percentile-percent-rota-outliers,low-resol-relative-percentile-percent-rama-outliers,low-resol-relative-percentile-percent-rota-outliers,numPDBids-absolute-percentile-clashscore,numPDBids-absolute-percentile-percent-rama-outliers,low-resol-relative-percentile-DCC_Rfree,high-resol-relative-percentile-percent-RSRZ-outliers,numPDBids-absolute-percentile-DCC_Rfree,relative-percentile-percent-rota-outliers,high-resol-relative-percentile-DCC_Rfree" version="20171227.v01 (using entries in the PDB archive December 27th 2017)"/>
	</programs>
</wwPDB-validation-information>
