<?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="0.21" DCC_Rfree="NotAvailable" DCC_refinement_program="PHENIX" DataAnisotropy="0.329" DataCompleteness="54.06" EDS_R="0.24" EDS_resolution="1.26" EDS_resolution_low="33.70" Fo_Fc_correlation="0.960" IoverSigma="1.62(1.26A)" PDB-R="0.21" PDB-Rfree="0.23" PDB-deposition-date="1997-09-11" PDB-resolution="1.47" PDB-resolution-low="7.50" PDB-revision-date="2011-07-13" PDB-revision-number="3" RefmacVersion="5.8.0158" RestypesNotcheckedForBondAngleGeometry="BTN,SO4" TransNCS="The largest off-origin peak in the Patterson function is 10.01% of the height of the origin peak. No significant pseudotranslation is detected." TwinL="0.508" TwinL2="0.345" WilsonBaniso="[12.824,15.324,11.032,0.000,0.000,0.000]" WilsonBestimate="12.479" XMLcreationDate="Mar 14, 2018 -- 02:29 pm GMT" absolute-percentile-clashscore="50.4" absolute-percentile-percent-RSRZ-outliers="8.0" absolute-percentile-percent-rama-outliers="21.2" absolute-percentile-percent-rota-outliers="54.8" acentric_outliers="17" angles_rmsz="1.70" attemptedValidationSteps="mogul,molprobity,validation-pack,xtriage,eds,percentiles,writexml" babinet_b="400.000" babinet_k="0.771" bonds_rmsz="1.38" bulk_solvent_b="73.575" bulk_solvent_k="0.271" centric_outliers="1" clashscore="6.19" high-resol-relative-percentile-clashscore="1.46" high-resol-relative-percentile-percent-RSRZ-outliers="1.46" high-resol-relative-percentile-percent-rama-outliers="1.46" high-resol-relative-percentile-percent-rota-outliers="1.46" low-resol-relative-percentile-clashscore="1.5" low-resol-relative-percentile-percent-RSRZ-outliers="1.5" low-resol-relative-percentile-percent-rama-outliers="1.5" low-resol-relative-percentile-percent-rota-outliers="1.5" num-H-reduce="1873" num-free-reflections="0" numMillerIndices="36336" 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-clashscore="4202" numPDBids-relative-percentile-percent-RSRZ-outliers="3889" numPDBids-relative-percentile-percent-rama-outliers="4117" numPDBids-relative-percentile-percent-rota-outliers="4115" num_angles_rmsz="2804" num_bonds_rmsz="2047" pdbid="2RTF" percent-RSRZ-outliers="9.50" percent-free-reflections="0.00" percent-rama-outliers="0.83" percent-rota-outliers="2.25" percentilebins="all,1.47,xray" protein-DNA-RNA-entities="1" relative-percentile-clashscore="30.2" relative-percentile-percent-RSRZ-outliers="8.8" relative-percentile-percent-rama-outliers="4.8" relative-percentile-percent-rota-outliers="21.6" xtriage_input_columns="F_meas_au,F_meas_sigma_au"/>
	<ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="0.460" chain="B" ent="1" icode=" " model="1" num-H-reduce="4" owab="38.420" resname="ALA" resnum="13" rscc="0.679" rsr="0.153" rsrz="1.733" said="A" seq="13"/>
	<ModelledSubgroup NatomsEDS="0" altcode=" " avgoccu="0.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="6" owab="0.000" phi="-59.8" psi="-53.2" rama="Favored" resname="GLU" resnum="14" rota="pp20?" said="A" seq="14"/>
	<ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="0.760" chain="B" ent="1" icode=" " model="1" num-H-reduce="5" owab="47.530" phi="-57.2" psi="-42.1" rama="Favored" resname="ALA" resnum="15" rscc="0.889" rsr="0.120" rsrz="0.924" said="A" seq="15"/>
	<ModelledSubgroup NatomsEDS="4" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="3" owab="41.460" phi="-65.7" psi="-35.8" rama="Favored" resname="GLY" resnum="16" rscc="0.739" rsr="0.105" rsrz="0.497" said="A" seq="16"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="11" owab="31.280" phi="-78.4" psi="-41.1" rama="Favored" resname="ILE" resnum="17" rota="mt" rscc="0.961" rsr="0.094" rsrz="0.177" said="A" seq="17"/>
	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="7" owab="25.500" phi="-50.9" psi="133.0" rama="Favored" resname="THR" resnum="18" rota="m" rscc="0.960" rsr="0.099" rsrz="0.364" said="A" seq="18"/>
	<ModelledSubgroup NatomsEDS="4" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="3" owab="22.790" phi="147.8" psi="-168.4" rama="Favored" resname="GLY" resnum="19" rscc="0.978" rsr="0.052" rsrz="-0.624" said="A" seq="19"/>
	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="7" owab="26.210" phi="-110.1" psi="137.3" rama="Favored" resname="THR" resnum="20" rota="m" rscc="0.918" rsr="0.063" rsrz="-0.493" said="A" seq="20"/>
	<ModelledSubgroup NatomsEDS="14" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="10" owab="16.200" phi="-133.8" psi="153.0" rama="Favored" resname="TRP" resnum="21" rota="m95" rscc="0.956" rsr="0.065" rsrz="-0.453" said="A" seq="21">
		<angle-outlier atom0="NE1" atom1="CE2" atom2="CZ2" mean="130.400" obs="138.420" stdev="1.100" z="7.29"/>
		<angle-outlier atom0="CD1" atom1="NE1" atom2="CE2" mean="109.000" obs="118.007" stdev="0.900" z="10.01"/>
		<angle-outlier atom0="NE1" atom1="CE2" atom2="CD2" mean="107.300" obs="100.568" stdev="1.000" z="-6.73"/>
		<angle-outlier atom0="CG" atom1="CD1" atom2="NE1" mean="110.100" obs="103.200" stdev="1.000" z="-6.90"/>
		<clash atom="CZ3" cid="22" clashmag="0.40" dist="2.57"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="12" altcode=" " avgoccu="0.409" chain="B" ent="1" icode=" " model="1" num-H-reduce="9" owab="13.190" phi="-134.1" psi="155.4" rama="Favored" resname="TYR" resnum="22" rota="m-85" rscc="0.944" rsr="0.155" rsrz="2.289" said="A" seq="22">
		<clash atom="HE1" cid="13" clashmag="0.45" dist="1.64"/>
		<clash atom="CZ" cid="1" clashmag="1.16" dist="1.92"/>
		<clash atom="CZ" cid="16" clashmag="0.43" dist="2.31"/>
		<clash atom="CD2" cid="3" clashmag="0.96" dist="1.96"/>
		<clash atom="CE2" cid="0" clashmag="1.28" dist="1.72"/>
		<clash atom="CE2" cid="2" clashmag="0.96" dist="2.12"/>
		<clash atom="CE2" cid="12" clashmag="0.45" dist="2.52"/>
		<symm-clash atom="OH" clashmag="0.01" dist="1.59" scid="10" symop="1_555"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="6" owab="21.240" phi="-121.8" psi="173.0" rama="Favored" resname="ASN" resnum="23" rota="p30" rscc="0.932" rsr="0.049" rsrz="-0.831" said="A" seq="23"/>
	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="8" owab="26.050" phi="-54.1" psi="-16.2" rama="Allowed" resname="GLN" resnum="24" rota="pm0" rscc="0.946" rsr="0.063" rsrz="-0.736" said="A" seq="24"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="11" owab="23.840" phi="-90.9" psi="-18.3" rama="Favored" resname="LEU" resnum="25" rota="mt" rscc="0.957" rsr="0.051" rsrz="-1.142" said="A" seq="25"/>
	<ModelledSubgroup NatomsEDS="4" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="3" owab="24.510" phi="100.1" psi="21.4" rama="Favored" resname="GLY" resnum="26" rscc="0.933" rsr="0.057" rsrz="-0.518" said="A" seq="26"/>
	<ModelledSubgroup NatomsEDS="6" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="5" owab="21.030" phi="-88.2" psi="151.5" rama="Favored" resname="SER" resnum="27" rota="m" rscc="0.923" rsr="0.052" rsrz="-0.723" said="A" seq="27"/>
	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="7" owab="24.570" phi="-109.7" psi="139.6" rama="Favored" resname="THR" resnum="28" rota="m" rscc="0.905" rsr="0.095" rsrz="0.269" said="A" seq="28">
		<clash atom="HG1" cid="13" clashmag="0.45" dist="1.64"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="18" altcode="A" avgoccu="1.070" chain="B" ent="1" icode=" " model="1" num-H-reduce="7" owab="24.820" phi="-132.6" psi="118.0" rama="Favored" resname="PHE" resnum="29" rota="t80" rscc="0.938" rsr="0.079" rsrz="-0.073" said="A" seq="29"/>
	<ModelledSubgroup NatomsEDS="18" altcode="B" avgoccu="1.070" chain="B" ent="1" icode=" " model="1" num-H-reduce="7" owab="24.820" phi="-132.6" psi="118.0" rama="Favored" resname="PHE" resnum="29" rota="t80" rscc="0.938" rsr="0.079" rsrz="-0.073" said="A" seq="29"/>
	<ModelledSubgroup NatomsEDS="12" altcode="A" avgoccu="0.975" chain="B" ent="1" icode=" " model="1" num-H-reduce="9" owab="23.990" phi="-115.4" psi="122.4" rama="Favored" resname="ILE" resnum="30" rota="mm" rscc="0.963" rsr="0.078" rsrz="-0.329" said="A" seq="30"/>
	<ModelledSubgroup NatomsEDS="12" altcode="B" avgoccu="0.975" chain="B" ent="1" icode=" " model="1" num-H-reduce="9" owab="23.990" phi="-115.4" psi="122.4" rama="Favored" resname="ILE" resnum="30" rota="mm" rscc="0.963" rsr="0.078" rsrz="-0.329" said="A" seq="30"/>
	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="9" owab="23.570" phi="-143.2" psi="158.2" rama="Favored" resname="VAL" resnum="31" rota="p" rscc="0.952" rsr="0.096" rsrz="0.300" said="A" seq="31"/>
	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="7" owab="24.350" phi="-128.1" psi="132.6" rama="Favored" resname="THR" resnum="32" rota="m" rscc="0.914" rsr="0.076" rsrz="-0.183" said="A" seq="32"/>
	<ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="5" owab="29.730" phi="-105.7" psi="126.0" rama="Favored" resname="ALA" resnum="33" rscc="0.967" rsr="0.044" rsrz="-0.939" said="A" seq="33"/>
	<ModelledSubgroup NatomsEDS="4" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="3" owab="34.270" phi="-96.6" psi="161.6" rama="Favored" resname="GLY" resnum="34" rscc="0.933" rsr="0.051" rsrz="-0.645" said="A" seq="34"/>
	<ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="5" owab="45.930" phi="-56.8" psi="-25.3" rama="Favored" resname="ALA" resnum="35" rscc="0.813" rsr="0.105" rsrz="0.556" said="A" seq="35"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="4" owab="49.940" phi="-83.9" psi="2.9" rama="Favored" resname="ASP" resnum="36" rota="p30" rscc="0.816" rsr="0.150" rsrz="0.928" said="A" seq="36"/>
	<ModelledSubgroup NatomsEDS="4" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="3" owab="28.260" phi="94.0" psi="9.0" rama="Favored" resname="GLY" resnum="37" rscc="0.907" rsr="0.065" rsrz="-0.349" said="A" seq="37">
		<clash atom="HA2" cid="20" clashmag="0.42" dist="2.55"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="5" owab="25.160" phi="-90.0" psi="156.3" rama="Favored" resname="ALA" resnum="38" rscc="0.928" rsr="0.060" rsrz="-0.547" said="A" seq="38"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="11" owab="24.970" phi="-136.6" psi="132.4" rama="Favored" resname="LEU" resnum="39" rota="mt" rscc="0.962" rsr="0.065" rsrz="-0.720" said="A" seq="39"/>
	<ModelledSubgroup NatomsEDS="10" altcode="A" avgoccu="0.949" chain="B" ent="1" icode=" " model="1" num-H-reduce="5" owab="23.370" phi="-142.1" psi="151.6" rama="Favored" resname="THR" resnum="40" rota="p" rscc="0.942" rsr="0.074" rsrz="-0.231" said="A" seq="40"/>
	<ModelledSubgroup NatomsEDS="10" altcode="B" avgoccu="0.949" chain="B" ent="1" icode=" " model="1" num-H-reduce="5" owab="23.370" phi="-142.1" psi="151.6" rama="Favored" resname="THR" resnum="40" rota="p" rscc="0.942" rsr="0.074" rsrz="-0.231" said="A" seq="40">
		<clash atom="HG22" cid="4" clashmag="0.77" dist="1.83"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="4" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="3" owab="21.260" phi="171.3" psi="-158.9" rama="Favored" resname="GLY" resnum="41" rscc="0.943" rsr="0.066" rsrz="-0.328" said="A" seq="41"/>
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	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="6" owab="30.100" phi="-131.9" psi="122.3" rama="Favored" resname="GLU" resnum="44" rota="tt0" rscc="0.935" rsr="0.071" rsrz="-0.726" said="A" seq="44"/>
	<ModelledSubgroup NatomsEDS="6" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="5" owab="24.360" phi="-102.1" psi="144.3" rama="Favored" resname="SER" resnum="45" rota="t" rscc="0.963" rsr="0.061" rsrz="-0.542" said="A" seq="45"/>
	<ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="5" owab="22.510" phi="-85.5" psi="-19.7" rama="Favored" resname="ALA" resnum="46" rscc="0.917" rsr="0.050" rsrz="-0.792" said="A" seq="46"/>
	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="9" owab="22.360" phi="-127.4" psi="165.8" rama="Favored" resname="VAL" resnum="47" rota="m" rscc="0.920" rsr="0.064" rsrz="-0.661" said="A" seq="47"/>
	<ModelledSubgroup NatomsEDS="4" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="3" owab="27.490" phi="92.6" psi="-174.0" rama="Favored" resname="GLY" resnum="48" rscc="0.937" rsr="0.050" rsrz="-0.666" said="A" seq="48"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="6" owab="32.500" phi="-92.1" psi="76.0" rama="Favored" resname="ASN" resnum="49" rota="t30" rscc="0.907" rsr="0.059" rsrz="-0.640" said="A" seq="49">
		<clash atom="OD1" cid="11" clashmag="0.46" dist="2.49"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="5" owab="27.320" phi="-149.5" psi="152.4" rama="Favored" resname="ALA" resnum="50" rscc="0.938" rsr="0.061" rsrz="-0.522" said="A" seq="50"/>
	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="0.720" chain="B" ent="1" icode=" " model="1" num-H-reduce="6" owab="27.960" phi="-159.9" psi="136.0" rama="Favored" resname="GLU" resnum="51" rota="pt-20" rscc="0.939" rsr="0.094" rsrz="-0.370" said="A" seq="51"/>
	<ModelledSubgroup NatomsEDS="6" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="5" owab="28.210" phi="73.9" psi="-161.9" rama="Allowed" resname="SER" resnum="52" rota="t" rscc="0.939" rsr="0.075" rsrz="-0.261" said="A" seq="52"/>
	<ModelledSubgroup NatomsEDS="11" altcode=" " avgoccu="0.713" chain="B" ent="1" icode=" " model="1" num-H-reduce="13" owab="29.640" phi="-96.1" psi="156.8" rama="Favored" resname="ARG" resnum="53" rota="mtm180" rscc="0.943" rsr="0.111" rsrz="0.071" said="A" seq="53"/>
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	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="9" owab="20.810" phi="-76.7" psi="144.8" rama="Favored" resname="VAL" resnum="55" rota="t" rscc="0.940" rsr="0.055" rsrz="-0.931" said="A" seq="55"/>
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	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="7" owab="20.810" phi="-143.2" psi="148.7" rama="Favored" resname="THR" resnum="57" rota="t" rscc="0.956" rsr="0.046" rsrz="-0.898" said="A" seq="57"/>
	<ModelledSubgroup NatomsEDS="4" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="3" owab="18.760" phi="-168.8" psi="-169.3" rama="Favored" resname="GLY" resnum="58" rscc="0.986" rsr="0.033" rsrz="-1.025" said="A" seq="58"/>
	<ModelledSubgroup NatomsEDS="11" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="13" owab="23.310" phi="-146.2" psi="160.2" rama="Favored" resname="ARG" resnum="59" rota="mmm180" rscc="0.935" rsr="0.064" rsrz="-0.742" said="A" seq="59">
		<angle-outlier atom0="NE" atom1="CZ" atom2="NH2" mean="120.300" obs="116.706" stdev="0.500" z="-7.19"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="24" altcode="A" avgoccu="1.080" chain="B" ent="1" icode=" " model="1" num-H-reduce="9" owab="26.110" phi="-145.6" psi="171.0" rama="Favored" resname="TYR" resnum="60" rota="p90" rscc="0.973" rsr="0.069" rsrz="-0.357" said="A" seq="60">
		<clash atom="CE1" cid="20" clashmag="0.42" dist="2.55"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="24" altcode="B" avgoccu="1.080" chain="B" ent="1" icode=" " model="1" num-H-reduce="9" owab="26.110" phi="-145.6" psi="171.0" rama="Favored" resname="TYR" resnum="60" rota="p90" rscc="0.973" rsr="0.069" rsrz="-0.357" said="A" seq="60">
		<clash atom="CE2" cid="17" clashmag="0.43" dist="2.54"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="16" altcode="A" avgoccu="1.060" chain="B" ent="1" icode=" " model="1" num-H-reduce="4" owab="30.180" phi="-88.1" psi="95.2" rama="Favored" resname="ASP" resnum="61" rota="t0" rscc="0.938" rsr="0.138" rsrz="0.716" said="A" seq="61">
		<angle-outlier atom0="CB" atom1="CG" atom2="OD2" mean="118.300" obs="123.493" stdev="0.900" z="5.77"/>
		<clash atom="OD2" cid="14" clashmag="0.44" dist="2.35"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="16" altcode="B" avgoccu="1.060" chain="B" ent="1" icode=" " model="1" num-H-reduce="4" owab="30.180" phi="-88.1" psi="95.2" rama="Favored" resname="ASP" resnum="61" rota="t0" rscc="0.938" rsr="0.138" rsrz="0.716" said="A" seq="61">
		<angle-outlier atom0="CB" atom1="CG" atom2="OD2" mean="118.300" obs="123.493" stdev="0.900" z="5.77"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="12" altcode="A" avgoccu="0.730" chain="B" ent="1" icode=" " model="1" num-H-reduce="5" owab="39.750" phi="-52.3" psi="-36.1" rama="Favored" resname="SER" resnum="62" rota="OUTLIER" rscc="0.685" rsr="0.237" rsrz="2.992" said="A" seq="62"/>
	<ModelledSubgroup NatomsEDS="12" altcode="B" avgoccu="0.730" chain="B" ent="1" icode=" " model="1" num-H-reduce="5" owab="39.750" phi="-52.3" psi="-36.1" rama="Favored" resname="SER" resnum="62" rota="OUTLIER" rscc="0.685" rsr="0.237" rsrz="2.992" said="A" seq="62">
		<clash atom="HA" cid="17" clashmag="0.43" dist="2.54"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="10" altcode="A" avgoccu="0.900" chain="B" ent="1" icode=" " model="1" num-H-reduce="5" owab="45.190" phi="-112.0" psi="84.3" rama="Favored" resname="ALA" resnum="63" rscc="0.804" rsr="0.232" rsrz="3.669" said="A" seq="63">
		<plane-outlier omega="128.79" type="peptide"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="10" altcode="B" avgoccu="0.900" chain="B" ent="1" icode=" " model="1" num-H-reduce="5" owab="45.190" phi="-112.0" psi="84.3" rama="Favored" resname="ALA" resnum="63" rscc="0.804" rsr="0.232" rsrz="3.669" said="A" seq="63"/>
	<ModelledSubgroup NatomsEDS="14" altcode="A" avgoccu="0.430" chain="B" ent="1" icode=" " model="1" num-H-reduce="7" owab="45.550" phi="-59.4" psi="-157.8" rama="OUTLIER" resname="PRO" resnum="64" rota="Cg_endo" rscc="0.390" rsr="0.414" rsrz="7.236" said="A" seq="64"/>
	<ModelledSubgroup NatomsEDS="14" altcode="B" avgoccu="0.430" chain="B" ent="1" icode=" " model="1" num-H-reduce="7" owab="45.550" phi="-59.4" psi="-157.8" rama="OUTLIER" resname="PRO" resnum="64" rota="Cg_endo" rscc="0.390" rsr="0.414" rsrz="7.236" said="A" seq="64"/>
	<ModelledSubgroup NatomsEDS="5" altcode="A" avgoccu="0.390" chain="B" ent="1" icode=" " model="1" num-H-reduce="5" owab="45.320" phi="-110.6" psi="150.3" rama="Favored" resname="ALA" resnum="65" rscc="0.586" rsr="0.158" rsrz="1.855" said="A" seq="65"/>
	<ModelledSubgroup NatomsEDS="5" altcode="B" avgoccu="0.390" chain="B" ent="1" icode=" " model="1" num-H-reduce="5" owab="45.320" phi="-110.6" psi="150.3" rama="Favored" resname="ALA" resnum="65" rscc="0.586" rsr="0.158" rsrz="1.855" said="A" seq="65"/>
	<ModelledSubgroup NatomsEDS="0" altcode="A" avgoccu="0.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="7" owab="0.000" phi="-84.4" psi="76.0" rama="Favored" resname="THR" resnum="66" rota="p" said="A" seq="66"/>
	<ModelledSubgroup NatomsEDS="0" altcode="B" avgoccu="0.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="7" owab="0.000" phi="-84.4" psi="76.0" rama="Favored" resname="THR" resnum="66" rota="p" said="A" seq="66"/>
	<ModelledSubgroup NatomsEDS="8" altcode="A" avgoccu="0.090" chain="B" ent="1" icode=" " model="1" num-H-reduce="4" owab="41.710" phi="-159.8" psi="-173.1" rama="Favored" resname="ASP" resnum="67" rota="m-20" rscc="0.400" rsr="0.656" rsrz="9.852" said="A" seq="67"/>
	<ModelledSubgroup NatomsEDS="8" altcode="B" avgoccu="0.090" chain="B" ent="1" icode=" " model="1" num-H-reduce="4" owab="41.710" phi="-159.8" psi="-173.1" rama="Favored" resname="ASP" resnum="67" rota="m-20" rscc="0.400" rsr="0.656" rsrz="9.852" said="A" seq="67"/>
	<ModelledSubgroup NatomsEDS="8" altcode="A" avgoccu="0.650" chain="B" ent="1" icode=" " model="1" num-H-reduce="3" owab="39.120" phi="-90.9" psi="59.1" rama="Favored" resname="GLY" resnum="68" rscc="0.747" rsr="0.168" rsrz="1.829" said="A" seq="68"/>
	<ModelledSubgroup NatomsEDS="8" altcode="B" avgoccu="0.650" chain="B" ent="1" icode=" " model="1" num-H-reduce="3" owab="39.120" phi="-90.9" psi="59.1" rama="Favored" resname="GLY" resnum="68" rscc="0.747" rsr="0.168" rsrz="1.829" said="A" seq="68"/>
	<ModelledSubgroup NatomsEDS="6" altcode="A" avgoccu="0.800" chain="B" ent="1" icode=" " model="1" num-H-reduce="5" owab="33.630" phi="-111.4" psi="159.1" rama="Favored" resname="SER" resnum="69" rota="m" rscc="0.932" rsr="0.064" rsrz="-0.482" said="A" seq="69"/>
	<ModelledSubgroup NatomsEDS="6" altcode="B" avgoccu="0.800" chain="B" ent="1" icode=" " model="1" num-H-reduce="5" owab="33.630" phi="-111.4" psi="159.1" rama="Favored" resname="SER" resnum="69" rota="m" rscc="0.932" rsr="0.064" rsrz="-0.482" said="A" seq="69"/>
	<ModelledSubgroup NatomsEDS="4" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="2" owab="27.330" phi="-89.8" psi="169.7" rama="Favored" resname="GLY" resnum="70" rscc="0.966" rsr="0.047" rsrz="-0.729" said="A" seq="70"/>
	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="7" owab="26.110" phi="-101.6" psi="124.5" rama="Favored" resname="THR" resnum="71" rota="m" rscc="0.953" rsr="0.059" rsrz="-0.588" said="A" seq="71"/>
	<ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="5" owab="20.970" phi="-81.3" psi="149.3" rama="Favored" resname="ALA" resnum="72" rscc="0.970" rsr="0.032" rsrz="-1.233" said="A" seq="72"/>
	<ModelledSubgroup NatomsEDS="12" altcode="A" avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="9" owab="24.670" phi="-160.4" psi="173.7" rama="Favored" resname="LEU" resnum="73" rota="pp" rscc="0.970" rsr="0.101" rsrz="0.364" said="A" seq="73"/>
	<ModelledSubgroup NatomsEDS="12" altcode="B" avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="9" owab="24.670" phi="-160.4" psi="173.7" rama="Favored" resname="LEU" resnum="73" rota="pp" rscc="0.970" rsr="0.101" rsrz="0.364" said="A" seq="73"/>
	<ModelledSubgroup NatomsEDS="4" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="3" owab="18.110" phi="-167.5" psi="160.3" rama="Favored" resname="GLY" resnum="74" rscc="0.978" rsr="0.089" rsrz="0.159" said="A" seq="74"/>
	<ModelledSubgroup NatomsEDS="14" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="10" owab="16.740" phi="-158.0" psi="164.8" rama="Favored" resname="TRP" resnum="75" rota="p90" rscc="0.954" rsr="0.050" rsrz="-0.976" said="A" seq="75">
		<angle-outlier atom0="CG" atom1="CD1" atom2="NE1" mean="110.100" obs="103.125" stdev="1.000" z="-6.97"/>
		<angle-outlier atom0="NE1" atom1="CE2" atom2="CD2" mean="107.300" obs="101.630" stdev="1.000" z="-5.67"/>
		<angle-outlier atom0="NE1" atom1="CE2" atom2="CZ2" mean="130.400" obs="138.232" stdev="1.100" z="7.12"/>
		<angle-outlier atom0="CD1" atom1="NE1" atom2="CE2" mean="109.000" obs="117.202" stdev="0.900" z="9.11"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="7" owab="16.540" phi="-129.2" psi="147.3" rama="Favored" resname="THR" resnum="76" rota="m" rscc="0.931" rsr="0.063" rsrz="-0.493" said="A" seq="76"/>
	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="9" owab="18.650" phi="-136.8" psi="127.0" rama="Favored" resname="VAL" resnum="77" rota="t" rscc="0.918" rsr="0.080" rsrz="-0.180" said="A" seq="77"/>
	<ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="5" owab="20.280" phi="-104.0" psi="127.4" rama="Favored" resname="ALA" resnum="78" rscc="0.938" rsr="0.070" rsrz="-0.301" said="A" seq="78">
		<angle-outlier atom0="N" atom1="CA" atom2="C" mean="111.000" obs="94.832" stdev="2.700" z="-5.99"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="14" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="10" owab="22.090" phi="-82.2" psi="62.5" rama="Favored" resname="TRP" resnum="79" rota="m95" rscc="0.953" rsr="0.054" rsrz="-0.836" said="A" seq="79">
		<angle-outlier atom0="NE1" atom1="CE2" atom2="CD2" mean="107.300" obs="101.841" stdev="1.000" z="-5.46"/>
		<angle-outlier atom0="CG" atom1="CD1" atom2="NE1" mean="110.100" obs="104.367" stdev="1.000" z="-5.73"/>
		<angle-outlier atom0="CD1" atom1="NE1" atom2="CE2" mean="109.000" obs="116.498" stdev="0.900" z="8.33"/>
		<angle-outlier atom0="NE1" atom1="CE2" atom2="CZ2" mean="130.400" obs="137.490" stdev="1.100" z="6.45"/>
		<clash atom="CG" cid="21" clashmag="0.40" dist="2.56"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="13" owab="30.230" phi="-137.2" psi="134.0" rama="Favored" resname="LYS" resnum="80" rota="tttm" rscc="0.962" rsr="0.116" rsrz="-0.070" said="A" seq="80"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="6" owab="20.100" phi="-152.4" psi="-171.1" rama="Favored" resname="ASN" resnum="81" rota="p30" rscc="0.950" rsr="0.056" rsrz="-0.697" said="A" seq="81"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="6" owab="29.870" phi="-69.8" psi="-8.0" rama="Favored" resname="ASN" resnum="82" rota="m120" rscc="0.933" rsr="0.073" rsrz="-0.372" said="A" seq="82"/>
	<ModelledSubgroup NatomsEDS="12" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="9" owab="28.800" phi="-111.1" psi="-36.6" rama="Favored" resname="TYR" resnum="83" rota="m-85" rscc="0.935" rsr="0.071" rsrz="-0.295" said="A" seq="83"/>
	<ModelledSubgroup NatomsEDS="11" altcode=" " avgoccu="0.858" chain="B" ent="1" icode=" " model="1" num-H-reduce="13" owab="34.970" phi="-139.9" psi="155.9" rama="Favored" resname="ARG" resnum="84" rota="mtt180" rscc="0.934" rsr="0.102" rsrz="-0.085" said="A" seq="84">
		<clash atom="NH1" cid="11" clashmag="0.46" dist="2.49"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="6" owab="27.390" phi="-136.0" psi="105.8" rama="Favored" resname="ASN" resnum="85" rota="t-20" rscc="0.907" rsr="0.058" rsrz="-0.659" said="A" seq="85">
		<clash atom="ND2" cid="7" clashmag="0.49" dist="2.27"/>
		<clash atom="ND2" cid="9" clashmag="0.48" dist="2.47"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="5" owab="28.740" phi="-97.4" psi="-4.2" rama="Favored" resname="ALA" resnum="86" rscc="0.935" rsr="0.079" rsrz="-0.081" said="A" seq="86"/>
	<ModelledSubgroup NatomsEDS="10" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="7" owab="31.790" phi="56.6" psi="53.7" rama="Favored" resname="HIS" resnum="87" rota="m-70" rscc="0.912" rsr="0.092" rsrz="0.057" said="A" seq="87">
		<clash atom="CE1" cid="6" clashmag="0.52" dist="2.45"/>
		<clash atom="CE1" cid="15" clashmag="0.44" dist="3.01"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="6" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="5" owab="20.450" phi="-155.5" psi="168.0" rama="Favored" resname="SER" resnum="88" rota="p" rscc="0.963" rsr="0.050" rsrz="-0.763" said="A" seq="88"/>
	<ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="5" owab="21.260" phi="-148.9" psi="151.1" rama="Favored" resname="ALA" resnum="89" rscc="0.943" rsr="0.092" rsrz="0.238" said="A" seq="89"/>
	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="7" owab="15.280" phi="-128.0" psi="144.5" rama="Favored" resname="THR" resnum="90" rota="m" rscc="0.950" rsr="0.081" rsrz="-0.064" said="A" seq="90"/>
	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="7" owab="18.800" phi="-127.2" psi="141.3" rama="Favored" resname="THR" resnum="91" rota="p" rscc="0.967" rsr="0.085" rsrz="0.031" said="A" seq="91"/>
	<ModelledSubgroup NatomsEDS="14" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="10" owab="15.970" phi="-117.5" psi="131.1" rama="Favored" resname="TRP" resnum="92" rota="m-90" rscc="0.962" rsr="0.083" rsrz="0.174" said="A" seq="92">
		<angle-outlier atom0="NE1" atom1="CE2" atom2="CZ2" mean="130.400" obs="136.554" stdev="1.100" z="5.59"/>
		<angle-outlier atom0="NE1" atom1="CE2" atom2="CD2" mean="107.300" obs="101.458" stdev="1.000" z="-5.84"/>
		<angle-outlier atom0="CD1" atom1="NE1" atom2="CE2" mean="109.000" obs="117.875" stdev="0.900" z="9.86"/>
		<angle-outlier atom0="CG" atom1="CD1" atom2="NE1" mean="110.100" obs="103.137" stdev="1.000" z="-6.96"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="6" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="5" owab="14.750" phi="-125.7" psi="132.9" rama="Favored" resname="SER" resnum="93" rota="t" rscc="0.966" rsr="0.065" rsrz="-0.462" said="A" seq="93"/>
	<ModelledSubgroup NatomsEDS="4" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="3" owab="20.670" phi="-178.0" psi="-159.7" rama="Favored" resname="GLY" resnum="94" rscc="0.965" rsr="0.100" rsrz="0.391" said="A" seq="94"/>
	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="B" ent="1" flippable-sidechain="1" icode=" " model="1" num-H-reduce="8" owab="25.690" phi="-136.4" psi="152.4" rama="Favored" resname="GLN" resnum="95" rota="OUTLIER" rscc="0.944" rsr="0.064" rsrz="-0.718" said="A" seq="95">
		<clash atom="HE22" cid="8" clashmag="0.48" dist="1.60"/>
		<clash atom="NE2" cid="19" clashmag="0.43" dist="2.16"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="12" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="9" owab="26.210" phi="-104.3" psi="132.2" rama="Favored" resname="TYR" resnum="96" rota="t80" rscc="0.932" rsr="0.075" rsrz="-0.172" said="A" seq="96"/>
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	<ModelledSubgroup NatomsEDS="4" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="3" owab="63.020" phi="131.2" psi="-156.9" rama="Favored" resname="GLY" resnum="99" rscc="0.686" rsr="0.260" rsrz="3.774" said="A" seq="99"/>
	<ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="5" owab="61.840" phi="-70.7" psi="-45.6" rama="Favored" resname="ALA" resnum="100" rscc="0.921" rsr="0.137" rsrz="1.341" said="A" seq="100"/>
	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="0.818" chain="B" ent="1" icode=" " model="1" num-H-reduce="6" owab="63.430" phi="-111.0" psi="97.4" rama="Favored" resname="GLU" resnum="101" rota="mt-10" rscc="0.838" rsr="0.157" rsrz="0.605" said="A" seq="101"/>
	<ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="5" owab="38.590" phi="-89.4" psi="145.6" rama="Favored" resname="ALA" resnum="102" rscc="0.937" rsr="0.090" rsrz="0.189" said="A" seq="102"/>
	<ModelledSubgroup NatomsEDS="11" altcode=" " avgoccu="0.851" chain="B" ent="1" icode=" " model="1" num-H-reduce="13" owab="31.880" phi="-141.5" psi="158.5" rama="Favored" resname="ARG" resnum="103" rota="mmt-85" rscc="0.927" rsr="0.088" rsrz="-0.327" said="A" seq="103">
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		<clash atom="NE2" cid="5" clashmag="0.57" dist="2.31"/>
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		<angle-outlier atom0="CD1" atom1="NE1" atom2="CE2" mean="109.000" obs="117.174" stdev="0.900" z="9.08"/>
		<angle-outlier atom0="CG" atom1="CD1" atom2="NE1" mean="110.100" obs="102.835" stdev="1.000" z="-7.26"/>
		<angle-outlier atom0="NE1" atom1="CE2" atom2="CZ2" mean="130.400" obs="135.989" stdev="1.100" z="5.08"/>
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	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="11" owab="17.500" phi="-128.0" psi="126.3" rama="Favored" resname="LEU" resnum="109" rota="mt" rscc="0.962" rsr="0.114" rsrz="0.756" said="A" seq="109"/>
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		<angle-outlier atom0="CG" atom1="CD1" atom2="NE1" mean="110.100" obs="103.258" stdev="1.000" z="-6.84"/>
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		<angle-outlier atom0="CB" atom1="CG" atom2="OD2" mean="118.300" obs="113.689" stdev="0.900" z="-5.12"/>
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	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="B" ent="1" icode=" " model="1" num-H-reduce="7" owab="24.870" phi="-123.9" psi="132.8" rama="Favored" resname="THR" resnum="129" rota="m" rscc="0.927" rsr="0.068" rsrz="-0.374" said="A" seq="129"/>
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		<clash atom="HB2" cid="22" clashmag="0.40" dist="2.57"/>
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		<clash atom="HG21" cid="12" clashmag="0.45" dist="2.52"/>
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	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="0.658" chain="B" ent="1" icode=" " model="1" num-H-reduce="13" owab="57.140" phi="-86.8" psi="124.8" rama="Favored" resname="LYS" resnum="134" rota="OUTLIER" rscc="0.835" rsr="0.194" rsrz="1.236" said="A" seq="134"/>
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		<mog-angle-outlier Zscore="-2.21" atoms="C8,C7,C2" mean="113.80" mindiff="0.08" numobs="51" obsval="109.46" stdev="1.97"/>
		<mog-angle-outlier Zscore="4.35" atoms="C4,C2,S1" mean="105.21" mindiff="1.35" numobs="26" obsval="109.48" stdev="0.98"/>
		<mog-angle-outlier Zscore="6.40" atoms="C5,C6,S1" mean="106.24" mindiff="3.22" numobs="25" obsval="110.84" stdev="0.72"/>
		<mog-angle-outlier Zscore="-8.01" atoms="C6,C5,N1" mean="113.15" mindiff="5.58" numobs="24" obsval="105.05" stdev="1.01"/>
		<mog-angle-outlier Zscore="-2.15" atoms="O3,C3,N1" mean="125.92" mindiff="0.12" numobs="204" obsval="123.01" stdev="1.36"/>
		<mog-angle-outlier Zscore="3.00" atoms="N2,C3,N1" mean="108.83" mindiff="0.30" numobs="83" obsval="111.18" stdev="0.78"/>
		<mog-angle-outlier Zscore="-2.51" atoms="C2,C4,C5" mean="108.78" mindiff="0.18" numobs="21" obsval="106.70" stdev="0.83"/>
		<mog-angle-outlier Zscore="-2.11" atoms="C2,C4,N2" mean="113.13" mindiff="0.05" numobs="26" obsval="111.18" stdev="0.93"/>
		<clash atom="H101" cid="21" clashmag="0.40" dist="2.56"/>
		<mog-bond-outlier Zscore="2.26" atoms="C7,C2" mean="1.52" mindiff="0.00" numobs="63" obsval="1.57" stdev="0.02"/>
		<mog-bond-outlier Zscore="-2.73" atoms="C2,S1" mean="1.82" mindiff="0.00" numobs="69" obsval="1.78" stdev="0.02"/>
		<mog-bond-outlier Zscore="3.17" atoms="C2,C4" mean="1.53" mindiff="0.01" numobs="30" obsval="1.59" stdev="0.02"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="48.090" resname="HOH" resnum="506" rscc="0.918" rsr="0.291" said="F" seq="."/>
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		<clash atom="O" cid="4" clashmag="0.77" dist="1.83"/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="55.900" resname="HOH" resnum="1575" rscc="0.911" rsr="0.071" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="39.480" resname="HOH" resnum="1585" rscc="0.637" rsr="0.086" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="67.820" resname="HOH" resnum="1605" rscc="0.635" rsr="0.245" said="F" seq=".">
		<symm-clash atom="H2" clashmag="0.09" dist="1.51" scid="8" symop="6_554"/>
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	<ModelledSubgroup NatomsEDS="1" altcode="C" avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="60.210" resname="HOH" resnum="1637" rscc="0.943" rsr="0.249" said="F" seq=".">
		<clash atom="O" cid="0" clashmag="1.28" dist="1.72"/>
		<clash atom="O" cid="3" clashmag="0.96" dist="1.96"/>
		<clash atom="O" cid="16" clashmag="0.43" dist="2.31"/>
		<symm-clash atom="O" clashmag="1.88" dist="0.32" scid="0" symop="1_555"/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="51.120" resname="HOH" resnum="1654" rscc="0.871" rsr="0.114" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="61.320" resname="HOH" resnum="1658" rscc="0.671" rsr="0.069" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode="C" avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="43.310" resname="HOH" resnum="1660" rscc="0.781" rsr="0.373" said="F" seq=".">
		<clash atom="O" cid="5" clashmag="0.57" dist="2.31"/>
		<symm-clash atom="H1" clashmag="1.07" dist="0.53" scid="2" symop="1_555"/>
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		<symm-clash atom="H2" clashmag="0.58" dist="1.02" scid="5" symop="4_555"/>
		<symm-clash atom="O" clashmag="0.51" dist="1.09" scid="6" symop="1_555"/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="84.370" resname="HOH" resnum="1671" rscc="0.616" rsr="0.236" said="F" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="71.160" resname="HOH" resnum="1695" rscc="0.892" rsr="0.197" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="56.550" resname="HOH" resnum="1719" rscc="0.904" rsr="0.086" said="F" seq=".">
		<symm-clash atom="H2" clashmag="0.01" dist="1.59" scid="10" symop="3_655"/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="66.950" resname="HOH" resnum="1749" rscc="0.167" rsr="0.136" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="69.630" resname="HOH" resnum="1768" rscc="0.435" rsr="0.344" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode="C" avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="35.820" resname="HOH" resnum="1777" rscc="0.861" rsr="0.207" said="F" seq=".">
		<clash atom="O" cid="1" clashmag="1.16" dist="1.92"/>
		<clash atom="O" cid="2" clashmag="0.96" dist="2.12"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="56.330" resname="HOH" resnum="1800" rscc="0.900" rsr="0.105" said="F" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="71.810" resname="HOH" resnum="1825" rscc="0.609" rsr="0.217" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="61.960" resname="HOH" resnum="1847" rscc="0.695" rsr="0.097" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="77.530" resname="HOH" resnum="1869" rscc="0.702" rsr="0.309" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="64.940" resname="HOH" resnum="1903" rscc="0.760" rsr="0.058" said="F" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="70.090" resname="HOH" resnum="2147" rscc="0.786" rsr="0.140" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="70.670" resname="HOH" resnum="2150" rscc="0.576" rsr="0.175" said="F" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="87.760" resname="HOH" resnum="2189" rscc="0.733" rsr="0.177" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="74.970" resname="HOH" resnum="2190" rscc="0.464" rsr="0.204" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="B" ent="4" icode=" " model="1" owab="83.790" resname="HOH" resnum="2191" rscc="-0.097" rsr="0.159" said="F" seq="."/>
	<ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="0.060" chain="D" ent="1" icode=" " model="1" num-H-reduce="4" owab="54.940" resname="ALA" resnum="13" rscc="-0.115" rsr="1.081" rsrz="24.478" said="B" seq="13"/>
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		<clash atom="O" cid="10" clashmag="0.47" dist="2.61"/>
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	<ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="0.610" chain="D" ent="1" icode=" " model="1" num-H-reduce="5" owab="57.760" phi="132.4" psi="-96.8" rama="OUTLIER" resname="ALA" resnum="15" rscc="0.345" rsr="0.344" rsrz="6.414" said="B" seq="15">
		<clash atom="CB" cid="10" clashmag="0.47" dist="2.61"/>
		<symm-clash atom="O" clashmag="0.09" dist="1.51" scid="8" symop="1_555"/>
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	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="D" ent="1" icode=" " model="1" num-H-reduce="7" owab="28.280" phi="-115.6" psi="125.7" rama="Favored" resname="THR" resnum="20" rota="m" rscc="0.960" rsr="0.126" rsrz="1.007" said="B" seq="20"/>
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		<angle-outlier atom0="CG" atom1="CD1" atom2="NE1" mean="110.100" obs="102.567" stdev="1.000" z="-7.53"/>
		<angle-outlier atom0="NE1" atom1="CE2" atom2="CZ2" mean="130.400" obs="138.764" stdev="1.100" z="7.60"/>
		<angle-outlier atom0="CD1" atom1="NE1" atom2="CE2" mean="109.000" obs="117.562" stdev="0.900" z="9.51"/>
		<bond-outlier atom0="CG" atom1="CD2" mean="1.432" obs="1.346" stdev="0.017" z="-5.06"/>
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	<ModelledSubgroup NatomsEDS="12" altcode=" " avgoccu="1.000" chain="D" ent="1" icode=" " model="1" num-H-reduce="9" owab="25.600" phi="-136.4" psi="149.9" rama="Favored" resname="TYR" resnum="22" rota="m-85" rscc="0.907" rsr="0.153" rsrz="2.228" said="B" seq="22"/>
	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="D" ent="1" icode=" " model="1" num-H-reduce="6" owab="22.150" phi="-116.5" psi="179.2" rama="Favored" resname="ASN" resnum="23" rota="p30" rscc="0.961" rsr="0.054" rsrz="-0.736" said="B" seq="23"/>
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	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="D" ent="1" icode=" " model="1" num-H-reduce="11" owab="28.650" phi="-97.8" psi="-7.2" rama="Favored" resname="LEU" resnum="25" rota="mt" rscc="0.934" rsr="0.077" rsrz="-0.358" said="B" seq="25"/>
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	<ModelledSubgroup NatomsEDS="6" altcode=" " avgoccu="1.000" chain="D" ent="1" icode=" " model="1" num-H-reduce="5" owab="24.940" phi="-80.1" psi="156.2" rama="Favored" resname="SER" resnum="27" rota="m" rscc="0.953" rsr="0.085" rsrz="-0.060" said="B" seq="27"/>
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	<ModelledSubgroup NatomsEDS="6" altcode=" " avgoccu="1.000" chain="D" ent="1" icode=" " model="1" num-H-reduce="5" owab="33.580" phi="71.8" psi="-160.2" rama="Allowed" resname="SER" resnum="52" rota="t" rscc="0.903" rsr="0.115" rsrz="0.542" said="B" seq="52"/>
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		<plane-outlier planeRMSD="0.08" type="sidechain"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="12" altcode=" " avgoccu="1.000" chain="D" ent="1" icode=" " model="1" num-H-reduce="9" owab="24.970" phi="-131.6" psi="151.8" rama="Favored" resname="TYR" resnum="54" rota="m-85" rscc="0.927" rsr="0.072" rsrz="-0.265" said="B" seq="54"/>
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		<angle-outlier atom0="CB" atom1="CG" atom2="CD2" mean="121.000" obs="117.684" stdev="0.600" z="-5.53"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="24" altcode="B" avgoccu="0.980" chain="D" ent="1" icode=" " model="1" num-H-reduce="9" owab="23.690" phi="-143.7" psi="170.1" rama="Favored" resname="TYR" resnum="60" rota="p90" rscc="0.956" rsr="0.049" rsrz="-0.972" said="B" seq="60">
		<angle-outlier atom0="CB" atom1="CG" atom2="CD2" mean="121.000" obs="117.684" stdev="0.600" z="-5.53"/>
	</ModelledSubgroup>
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		<clash atom="CB" cid="15" clashmag="0.44" dist="3.01"/>
		<clash atom="HB1" cid="6" clashmag="0.52" dist="2.45"/>
		<plane-outlier omega="148.50" type="peptide"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="10" altcode="B" avgoccu="0.510" chain="D" ent="1" icode=" " model="1" num-H-reduce="5" owab="38.290" phi="-139.2" psi="63.4" rama="Favored" resname="ALA" resnum="63" rscc="0.693" rsr="0.445" rsrz="8.890" said="B" seq="63">
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		<clash atom="HB3" cid="7" clashmag="0.49" dist="2.27"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="14" altcode="A" avgoccu="0.650" chain="D" ent="1" icode=" " model="1" num-H-reduce="7" owab="41.910" phi="-54.4" psi="170.3" rama="Allowed" resname="PRO" resnum="64" rota="Cg_endo" rscc="0.319" rsr="0.589" rsrz="11.099" said="B" seq="64"/>
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	<ModelledSubgroup NatomsEDS="16" altcode="A" avgoccu="0.270" chain="D" ent="1" icode=" " model="1" num-H-reduce="4" owab="43.690" phi="-135.7" psi="-179.6" rama="Favored" resname="ASP" resnum="67" rota="p-10" rscc="0.191" rsr="1.148" rsrz="18.529" said="B" seq="67"/>
	<ModelledSubgroup NatomsEDS="16" altcode="B" avgoccu="0.270" chain="D" ent="1" icode=" " model="1" num-H-reduce="4" owab="43.690" phi="-135.7" psi="-179.6" rama="Favored" resname="ASP" resnum="67" rota="p-10" rscc="0.191" rsr="1.148" rsrz="18.529" said="B" seq="67"/>
	<ModelledSubgroup NatomsEDS="4" altcode="A" avgoccu="0.320" chain="D" ent="1" icode=" " model="1" num-H-reduce="3" owab="34.530" phi="-80.2" psi="71.1" rama="Favored" resname="GLY" resnum="68" rscc="0.778" rsr="0.255" rsrz="3.668" said="B" seq="68"/>
	<ModelledSubgroup NatomsEDS="4" altcode="B" avgoccu="0.320" chain="D" ent="1" icode=" " model="1" num-H-reduce="3" owab="34.530" phi="-80.2" psi="71.1" rama="Favored" resname="GLY" resnum="68" rscc="0.778" rsr="0.255" rsrz="3.668" said="B" seq="68"/>
	<ModelledSubgroup NatomsEDS="12" altcode="A" avgoccu="0.790" chain="D" ent="1" icode=" " model="1" num-H-reduce="5" owab="35.170" phi="-128.1" psi="168.4" rama="Favored" resname="SER" resnum="69" rota="m" rscc="0.888" rsr="0.113" rsrz="0.502" said="B" seq="69"/>
	<ModelledSubgroup NatomsEDS="12" altcode="B" avgoccu="0.790" chain="D" ent="1" icode=" " model="1" num-H-reduce="5" owab="35.170" phi="-128.1" psi="168.4" rama="Favored" resname="SER" resnum="69" rota="m" rscc="0.888" rsr="0.113" rsrz="0.502" said="B" seq="69"/>
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		<angle-outlier atom0="CG" atom1="CD1" atom2="NE1" mean="110.100" obs="102.418" stdev="1.000" z="-7.68"/>
		<angle-outlier atom0="NE1" atom1="CE2" atom2="CZ2" mean="130.400" obs="138.221" stdev="1.100" z="7.11"/>
		<angle-outlier atom0="NE1" atom1="CE2" atom2="CD2" mean="107.300" obs="101.383" stdev="1.000" z="-5.92"/>
		<angle-outlier atom0="CD1" atom1="NE1" atom2="CE2" mean="109.000" obs="117.877" stdev="0.900" z="9.86"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="D" ent="1" icode=" " model="1" num-H-reduce="7" owab="16.400" phi="-128.8" psi="148.2" rama="Favored" resname="THR" resnum="76" rota="m" rscc="0.935" rsr="0.065" rsrz="-0.445" said="B" seq="76"/>
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		<angle-outlier atom0="N" atom1="CA" atom2="C" mean="111.000" obs="95.564" stdev="2.700" z="-5.72"/>
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	<ModelledSubgroup NatomsEDS="14" altcode=" " avgoccu="1.000" chain="D" ent="1" icode=" " model="1" num-H-reduce="10" owab="18.600" phi="-80.5" psi="56.8" rama="Favored" resname="TRP" resnum="79" rota="m95" rscc="0.957" rsr="0.051" rsrz="-0.941" said="B" seq="79">
		<angle-outlier atom0="CD1" atom1="NE1" atom2="CE2" mean="109.000" obs="115.724" stdev="0.900" z="7.47"/>
		<angle-outlier atom0="CG" atom1="CD1" atom2="NE1" mean="110.100" obs="104.764" stdev="1.000" z="-5.34"/>
		<angle-outlier atom0="NE1" atom1="CE2" atom2="CZ2" mean="130.400" obs="136.178" stdev="1.100" z="5.25"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="D" ent="1" icode=" " model="1" num-H-reduce="13" owab="38.850" phi="-133.4" psi="134.8" rama="Favored" resname="LYS" resnum="80" rota="tttm" rscc="0.970" rsr="0.102" rsrz="-0.305" said="B" seq="80"/>
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		<angle-outlier atom0="NE1" atom1="CE2" atom2="CD2" mean="107.300" obs="101.378" stdev="1.000" z="-5.92"/>
		<angle-outlier atom0="NE1" atom1="CE2" atom2="CZ2" mean="130.400" obs="137.276" stdev="1.100" z="6.25"/>
		<angle-outlier atom0="CD1" atom1="NE1" atom2="CE2" mean="109.000" obs="118.042" stdev="0.900" z="10.05"/>
		<angle-outlier atom0="CG" atom1="CD1" atom2="NE1" mean="110.100" obs="102.158" stdev="1.000" z="-7.94"/>
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	<ModelledSubgroup NatomsEDS="6" altcode=" " avgoccu="1.000" chain="D" ent="1" icode=" " model="1" num-H-reduce="5" owab="18.160" phi="-125.6" psi="128.6" rama="Favored" resname="SER" resnum="93" rota="t" rscc="0.956" rsr="0.103" rsrz="0.301" said="B" seq="93"/>
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	<ModelledSubgroup NatomsEDS="4" altcode=" " avgoccu="1.000" chain="D" ent="1" icode=" " model="1" num-H-reduce="3" owab="56.910" phi="123.4" psi="-163.0" rama="Favored" resname="GLY" resnum="99" rscc="0.689" rsr="0.326" rsrz="5.169" said="B" seq="99"/>
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	<ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="0.556" chain="D" ent="1" icode=" " model="1" num-H-reduce="6" owab="55.400" phi="-113.5" psi="106.2" rama="Favored" resname="GLU" resnum="101" rota="OUTLIER" rscc="0.886" rsr="0.174" rsrz="0.868" said="B" seq="101"/>
	<ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="D" ent="1" icode=" " model="1" num-H-reduce="5" owab="36.020" phi="-88.6" psi="142.2" rama="Favored" resname="ALA" resnum="102" rscc="0.947" rsr="0.091" rsrz="0.213" said="B" seq="102"/>
	<ModelledSubgroup NatomsEDS="11" altcode=" " avgoccu="0.738" chain="D" ent="1" icode=" " model="1" num-H-reduce="13" owab="39.910" phi="-141.3" psi="152.8" rama="Favored" resname="ARG" resnum="103" rota="mtm180" rscc="0.931" rsr="0.145" rsrz="0.659" said="B" seq="103">
		<plane-outlier planeRMSD="0.14" type="sidechain"/>
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	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="D" ent="1" icode=" " model="1" num-H-reduce="11" owab="24.690" phi="-128.2" psi="109.6" rama="Favored" resname="ILE" resnum="104" rota="mt" rscc="0.961" rsr="0.041" rsrz="-1.500" said="B" seq="104"/>
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		<clash atom="ND2" cid="18" clashmag="0.43" dist="2.34"/>
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	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="D" ent="1" icode=" " model="1" num-H-reduce="7" owab="18.820" phi="-127.9" psi="172.5" rama="Favored" resname="THR" resnum="106" rota="p" rscc="0.949" rsr="0.063" rsrz="-0.493" said="B" seq="106"/>
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		<angle-outlier atom0="N" atom1="CA" atom2="C" mean="111.000" obs="96.813" stdev="2.700" z="-5.25"/>
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	<ModelledSubgroup NatomsEDS="14" altcode=" " avgoccu="1.000" chain="D" ent="1" icode=" " model="1" num-H-reduce="10" owab="19.600" phi="-128.8" psi="163.2" rama="Favored" resname="TRP" resnum="108" rota="p-90" rscc="0.946" rsr="0.096" rsrz="0.627" said="B" seq="108">
		<angle-outlier atom0="NE1" atom1="CE2" atom2="CZ2" mean="130.400" obs="136.633" stdev="1.100" z="5.67"/>
		<angle-outlier atom0="CG" atom1="CD1" atom2="NE1" mean="110.100" obs="104.591" stdev="1.000" z="-5.51"/>
		<angle-outlier atom0="CD1" atom1="NE1" atom2="CE2" mean="109.000" obs="115.804" stdev="0.900" z="7.56"/>
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	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="D" ent="1" icode=" " model="1" num-H-reduce="11" owab="18.560" phi="-130.0" psi="126.5" rama="Favored" resname="LEU" resnum="109" rota="mt" rscc="0.967" rsr="0.127" rsrz="1.148" said="B" seq="109"/>
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		<clash atom="H" cid="8" clashmag="0.48" dist="1.60"/>
		<clash atom="H" cid="19" clashmag="0.43" dist="2.16"/>
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	<ModelledSubgroup NatomsEDS="7" altcode=" " avgoccu="1.000" chain="D" ent="1" icode=" " model="1" num-H-reduce="7" owab="37.580" phi="-92.1" psi="164.8" rama="Favored" resname="THR" resnum="115" rota="p" rscc="0.906" rsr="0.103" rsrz="0.460" said="B" seq="115"/>
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	<ModelledSubgroup NatomsEDS="5" altcode=" " avgoccu="1.000" chain="D" ent="1" icode=" " model="1" num-H-reduce="5" owab="38.170" phi="-56.8" psi="-39.2" rama="Favored" resname="ALA" resnum="117" rscc="0.914" rsr="0.102" rsrz="0.483" said="B" seq="117"/>
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		<angle-outlier atom0="CG" atom1="CD1" atom2="NE1" mean="110.100" obs="103.834" stdev="1.000" z="-6.27"/>
		<angle-outlier atom0="CD1" atom1="NE1" atom2="CE2" mean="109.000" obs="117.056" stdev="0.900" z="8.95"/>
		<angle-outlier atom0="NE1" atom1="CE2" atom2="CD2" mean="107.300" obs="101.556" stdev="1.000" z="-5.74"/>
		<angle-outlier atom0="NE1" atom1="CE2" atom2="CZ2" mean="130.400" obs="137.594" stdev="1.100" z="6.54"/>
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	<ModelledSubgroup NatomsEDS="9" altcode=" " avgoccu="1.000" chain="D" ent="1" icode=" " model="1" num-H-reduce="13" owab="29.360" phi="-117.8" psi="42.3" rama="Favored" resname="LYS" resnum="121" rota="pttt" rscc="0.944" rsr="0.101" rsrz="-0.322" said="B" seq="121"/>
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		<angle-outlier atom0="N" atom1="CA" atom2="C" mean="111.000" obs="125.216" stdev="2.700" z="5.26"/>
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	<ModelledSubgroup NatomsEDS="8" altcode=" " avgoccu="1.000" chain="D" ent="1" icode=" " model="1" num-H-reduce="11" owab="21.570" phi="-93.7" psi="151.3" rama="Favored" resname="LEU" resnum="124" rota="mt" rscc="0.960" rsr="0.087" rsrz="-0.057" said="B" seq="124"/>
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		<clash atom="HG23" cid="18" clashmag="0.43" dist="2.34"/>
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		<symm-clash atom="O1" clashmag="0.03" dist="1.57" scid="9" symop="1_555"/>
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	<ModelledSubgroup NatomsEDS="16" altcode=" " avgoccu="1.000" chain="D" ent="2" icode=" " model="1" mogul_angles_rmsz="2.92" mogul_bonds_rmsz="1.10" mogul_rmsz_numangles="19" mogul_rmsz_numbonds="14" num-H-reduce="15" owab="21.850" resname="BTN" resnum="301" rscc="0.974" rsr="0.044" said="E" seq=".">
		<mog-angle-outlier Zscore="-2.47" atoms="C8,C7,C2" mean="113.80" mindiff="0.07" numobs="51" obsval="108.94" stdev="1.97"/>
		<mog-angle-outlier Zscore="4.92" atoms="C4,C2,S1" mean="105.21" mindiff="1.91" numobs="26" obsval="110.03" stdev="0.98"/>
		<mog-angle-outlier Zscore="7.65" atoms="C5,C6,S1" mean="106.24" mindiff="4.12" numobs="25" obsval="111.74" stdev="0.72"/>
		<mog-angle-outlier Zscore="-5.64" atoms="C6,C5,N1" mean="113.15" mindiff="3.18" numobs="24" obsval="107.44" stdev="1.01"/>
		<mog-angle-outlier Zscore="3.12" atoms="N2,C3,N1" mean="108.83" mindiff="0.40" numobs="83" obsval="111.27" stdev="0.78"/>
		<mog-angle-outlier Zscore="-4.11" atoms="C2,C4,N2" mean="113.13" mindiff="1.31" numobs="26" obsval="109.31" stdev="0.93"/>
		<mog-bond-outlier Zscore="-2.09" atoms="C2,S1" mean="1.82" mindiff="0.00" numobs="69" obsval="1.79" stdev="0.02"/>
		<mog-bond-outlier Zscore="2.65" atoms="C6,C5" mean="1.53" mindiff="0.01" numobs="30" obsval="1.57" stdev="0.02"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="62.930" resname="HOH" resnum="492" rscc="0.626" rsr="0.177" said="G" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="50.810" resname="HOH" resnum="515" rscc="0.751" rsr="0.145" said="G" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode="A" avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="57.500" resname="HOH" resnum="603" rscc="0.922" rsr="0.193" said="G" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="22.220" resname="HOH" resnum="624" rscc="0.964" rsr="0.082" said="G" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="28.410" resname="HOH" resnum="625" rscc="0.921" rsr="0.130" said="G" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="45.440" resname="HOH" resnum="626" rscc="0.880" rsr="0.201" said="G" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode="B" avgoccu="0.360" chain="D" ent="4" icode=" " model="1" owab="34.970" resname="HOH" resnum="627" rscc="0.981" rsr="0.242" said="G" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="37.430" resname="HOH" resnum="629" rscc="0.887" rsr="0.057" said="G" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="63.520" resname="HOH" resnum="633" rscc="0.230" rsr="0.151" said="G" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="35.270" resname="HOH" resnum="635" rscc="0.919" rsr="0.096" said="G" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="38.280" resname="HOH" resnum="642" rscc="0.842" rsr="0.068" said="G" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="53.150" resname="HOH" resnum="656" rscc="0.537" rsr="0.190" said="G" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="54.330" resname="HOH" resnum="663" rscc="0.572" rsr="0.255" said="G" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="36.400" resname="HOH" resnum="666" rscc="0.679" rsr="0.262" said="G" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode="A" avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="52.460" resname="HOH" resnum="668" rscc="0.794" rsr="0.085" said="G" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode="A" avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="44.680" resname="HOH" resnum="671" rscc="0.497" rsr="0.188" said="G" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="68.860" resname="HOH" resnum="680" rscc="0.667" rsr="0.447" said="G" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="65.510" resname="HOH" resnum="688" rscc="0.461" rsr="0.121" said="G" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="76.390" resname="HOH" resnum="689" rscc="0.347" rsr="0.511" said="G" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="46.180" resname="HOH" resnum="697" rscc="0.801" rsr="0.171" said="G" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="32.210" resname="HOH" resnum="698" rscc="0.899" rsr="0.059" said="G" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="48.060" resname="HOH" resnum="764" rscc="0.635" rsr="0.142" said="G" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="28.250" resname="HOH" resnum="802" rscc="0.942" rsr="0.131" said="G" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="72.630" resname="HOH" resnum="830" rscc="0.340" rsr="0.182" said="G" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="70.370" resname="HOH" resnum="926" rscc="0.854" rsr="0.148" said="G" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="71.010" resname="HOH" resnum="931" rscc="0.513" rsr="0.219" said="G" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="31.350" resname="HOH" resnum="933" rscc="0.960" rsr="0.152" said="G" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="51.610" resname="HOH" resnum="952" rscc="0.086" rsr="0.198" said="G" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="52.720" resname="HOH" resnum="966" rscc="0.858" rsr="0.204" said="G" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="33.210" resname="HOH" resnum="968" rscc="0.914" rsr="0.191" said="G" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="50.460" resname="HOH" resnum="1071" rscc="0.897" rsr="0.067" said="G" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="60.720" resname="HOH" resnum="1076" rscc="0.778" rsr="0.220" said="G" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="58.160" resname="HOH" resnum="1236" rscc="0.251" rsr="0.194" said="G" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode="B" avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="54.750" resname="HOH" resnum="1322" rscc="0.743" rsr="0.224" said="G" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="64.570" resname="HOH" resnum="1343" rscc="0.704" rsr="0.079" said="G" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="31.880" resname="HOH" resnum="1390" rscc="0.963" rsr="0.105" said="G" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="57.790" resname="HOH" resnum="1493" rscc="0.703" rsr="0.175" said="G" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="61.550" resname="HOH" resnum="1505" rscc="0.688" rsr="0.317" said="G" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="51.750" resname="HOH" resnum="1554" rscc="0.577" rsr="0.152" said="G" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="53.890" resname="HOH" resnum="1564" rscc="0.465" rsr="0.186" said="G" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="55.170" resname="HOH" resnum="1565" rscc="0.685" rsr="0.092" said="G" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="41.110" resname="HOH" resnum="1576" rscc="0.774" rsr="0.101" said="G" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="51.250" resname="HOH" resnum="1596" rscc="0.873" rsr="0.174" said="G" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="71.390" resname="HOH" resnum="1600" rscc="0.125" rsr="0.137" said="G" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="54.620" resname="HOH" resnum="1617" rscc="0.824" rsr="0.349" said="G" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="88.090" resname="HOH" resnum="1728" rscc="0.415" rsr="0.972" said="G" seq="."/>
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		<symm-clash atom="O" clashmag="1.86" dist="0.34" scid="1" symop="1_555"/>
		<symm-clash atom="O" clashmag="1.86" dist="0.34" scid="1" symop="3_655"/>
		<symm-clash atom="H1" clashmag="0.95" dist="0.65" scid="3" symop="1_555"/>
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		<symm-clash atom="O" clashmag="0.27" dist="1.33" scid="7" symop="1_555"/>
		<symm-clash atom="H2" clashmag="0.27" dist="1.33" scid="7" symop="3_655"/>
	</ModelledSubgroup>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="58.360" resname="HOH" resnum="1783" rscc="0.752" rsr="0.105" said="G" seq="."/>
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	<ModelledSubgroup NatomsEDS="1" altcode="A" avgoccu="0.650" chain="D" ent="4" icode=" " model="1" owab="52.580" resname="HOH" resnum="1943" rscc="0.970" rsr="0.141" said="G" seq="."/>
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		<symm-clash atom="H1" clashmag="0.03" dist="1.57" scid="9" symop="4_556"/>
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	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="83.870" resname="HOH" resnum="2212" rscc="0.583" rsr="0.508" said="G" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="58.510" resname="HOH" resnum="2215" rscc="0.844" rsr="0.290" said="G" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="85.270" resname="HOH" resnum="2217" rscc="0.653" rsr="0.347" said="G" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="69.930" resname="HOH" resnum="2218" rscc="0.547" rsr="0.185" said="G" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="70.110" resname="HOH" resnum="2219" rscc="0.726" rsr="0.232" said="G" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="75.780" resname="HOH" resnum="2220" rscc="0.740" rsr="0.090" said="G" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="59.040" resname="HOH" resnum="2221" rscc="0.852" rsr="0.101" said="G" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="75.630" resname="HOH" resnum="2222" rscc="0.723" rsr="0.289" said="G" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="79.360" resname="HOH" resnum="2223" rscc="0.399" rsr="0.213" said="G" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="61.340" resname="HOH" resnum="2224" rscc="0.455" rsr="0.196" said="G" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="87.330" resname="HOH" resnum="2225" rscc="-0.104" rsr="0.821" said="G" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="77.600" resname="HOH" resnum="2226" rscc="0.716" rsr="0.125" said="G" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="58.410" resname="HOH" resnum="2235" rscc="0.862" rsr="0.126" said="G" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="80.380" resname="HOH" resnum="2237" rscc="0.686" rsr="0.262" said="G" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="80.520" resname="HOH" resnum="2249" rscc="0.221" rsr="0.488" said="G" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="80.820" resname="HOH" resnum="2251" rscc="0.562" rsr="0.487" said="G" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="86.370" resname="HOH" resnum="2259" rscc="0.353" rsr="0.260" said="G" seq="."/>
	<ModelledSubgroup NatomsEDS="1" altcode=" " avgoccu="1.000" chain="D" ent="4" icode=" " model="1" owab="88.340" resname="HOH" resnum="2262" rscc="0.491" rsr="0.301" said="G" seq="."/>
	<ModelledEntityInstance absolute_RSRZ_percentile="14.41" absolute_rama_percentile="11.30" absolute_sidechain_percentile="35.05" angles_rmsz="1.69" bonds_rmsz="1.37" chain="B" ent="1" model="1" num_angles_rmsz="1443" num_bonds_rmsz="1054" relative_RSRZ_percentile="15.81" relative_rama_percentile="1.51" relative_sidechain_percentile="6.76" said="A"/>
	<ModelledEntityInstance absolute_RSRZ_percentile="4.45" absolute_rama_percentile="21.21" absolute_sidechain_percentile="75.79" angles_rmsz="1.71" bonds_rmsz="1.38" chain="D" ent="1" model="1" num_angles_rmsz="1361" num_bonds_rmsz="993" relative_RSRZ_percentile="4.65" relative_rama_percentile="4.81" relative_sidechain_percentile="52.64" said="B"/>
	<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-ring-outlier,mogul_rmsz_numbonds" version="1.7.3 (157068), CSD as539be (2018)"/>
		<program name="eds" properties="rscc,owab,EDS_R,avgoccu,EDS_resolution_low,CCP4version,babinet_b,num-free-reflections,relative_RSRZ_percentile,rsrz,DataCompleteness,percent-RSRZ-outliers,bulk_solvent_b,RefmacVersion,bulk_solvent_k,percent-free-reflections,EDS_resolution,Fo_Fc_correlation,rsr,NatomsEDS,babinet_k,absolute_RSRZ_percentile" 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="validation-pack" properties="symm-clash,plane-outlier" version="unknown"/>
		<program name="molprobity" properties="bond-outlier,relative_rama_percentile,phi,psi,RestypesNotcheckedForBondAngleGeometry,clash,angle-outlier,percent-rota-outliers,num_bonds_rmsz,absolute_sidechain_percentile,relative_sidechain_percentile,clashscore,bonds_rmsz,percent-rama-outliers,num-H-reduce,rota,num_angles_rmsz,angles_rmsz,absolute_rama_percentile,rama,flippable-sidechain" version="4.02b-467"/>
		<program name="percentiles" properties="numPDBids-absolute-percentile-percent-rota-outliers,high-resol-relative-percentile-percent-rota-outliers,absolute-percentile-percent-RSRZ-outliers,relative-percentile-percent-rama-outliers,absolute-percentile-percent-rama-outliers,absolute-percentile-clashscore,absolute-percentile-percent-rota-outliers,relative-percentile-clashscore,high-resol-relative-percentile-percent-rama-outliers,numPDBids-relative-percentile-percent-RSRZ-outliers,low-resol-relative-percentile-percent-RSRZ-outliers,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,high-resol-relative-percentile-percent-RSRZ-outliers,relative-percentile-percent-rota-outliers" version="20171227.v01 (using entries in the PDB archive December 27th 2017)"/>
	</programs>
</wwPDB-validation-information>
