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opls-aam.xml
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opls-aam.xml
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<Atom name="CG" type="17"/>
<Atom name="HG1" type="18"/>
<Atom name="HG2" type="19"/>
<Atom name="CD" type="20"/>
<Atom name="HD1" type="21"/>
<Atom name="HD2" type="22"/>
<Atom name="NE" type="23"/>
<Atom name="HE" type="24"/>
<Atom name="CZ" type="25"/>
<Atom name="NH1" type="26"/>
<Atom name="HH11" type="27"/>
<Atom name="HH12" type="28"/>
<Atom name="NH2" type="29"/>
<Atom name="HH21" type="30"/>
<Atom name="HH22" type="31"/>
<Bond from="7" to="0"/>
<Bond from="10" to="7"/>
<Bond from="13" to="10"/>
<Bond from="16" to="13"/>
<Bond from="18" to="16"/>
<Bond from="22" to="18"/>
<Bond from="4" to="5"/>
<Bond from="4" to="0"/>
<Bond from="1" to="0"/>
<Bond from="0" to="6"/>
<Bond from="7" to="8"/>
<Bond from="7" to="9"/>
<Bond from="10" to="11"/>
<Bond from="10" to="12"/>
<Bond from="13" to="14"/>
<Bond from="13" to="15"/>
<Bond from="16" to="17"/>
<Bond from="19" to="20"/>
<Bond from="19" to="21"/>
<Bond from="22" to="23"/>
<Bond from="22" to="24"/>
<Bond from="18" to="19"/>
<Bond from="1" to="3"/>
<Bond from="1" to="2"/>
<ExternalBond from="4"/>
</Residue>
<Residue name="ASN">
<Atom name="N" type="34"/>
<Atom name="HN" type="35"/>
<Atom name="CA" type="36"/>
<Atom name="HA" type="37"/>
<Atom name="CB" type="38"/>
<Atom name="HB1" type="39"/>
<Atom name="HB2" type="40"/>
<Atom name="CG" type="41"/>
<Atom name="OD1" type="42"/>
<Atom name="ND2" type="43"/>
<Atom name="HD21" type="44"/>
<Atom name="HD22" type="45"/>
<Atom name="C" type="46"/>
<Atom name="O" type="47"/>
<Bond from="4" to="2"/>
<Bond from="7" to="4"/>
<Bond from="9" to="7"/>
<Bond from="0" to="1"/>
<Bond from="0" to="2"/>
<Bond from="12" to="2"/>
<Bond from="2" to="3"/>
<Bond from="4" to="5"/>
<Bond from="4" to="6"/>
<Bond from="9" to="10"/>
<Bond from="9" to="11"/>
<Bond from="12" to="13"/>
<Bond from="7" to="8"/>
<ExternalBond from="0"/>
<ExternalBond from="12"/>
</Residue>
<Residue name="NTER-ASN">
<Atom name="N" type="359"/>
<Atom name="HT1" type="360"/>
<Atom name="HT2" type="361"/>
<Atom name="HT3" type="362"/>
<Atom name="CA" type="36"/>
<Atom name="HA" type="37"/>
<Atom name="CB" type="38"/>
<Atom name="HB1" type="39"/>
<Atom name="HB2" type="40"/>
<Atom name="CG" type="41"/>
<Atom name="OD1" type="42"/>
<Atom name="ND2" type="43"/>
<Atom name="HD21" type="44"/>
<Atom name="HD22" type="45"/>
<Atom name="C" type="46"/>
<Atom name="O" type="47"/>
<Bond from="6" to="4"/>
<Bond from="9" to="6"/>
<Bond from="11" to="9"/>
<Bond from="0" to="4"/>
<Bond from="14" to="4"/>
<Bond from="4" to="5"/>
<Bond from="6" to="7"/>
<Bond from="6" to="8"/>
<Bond from="11" to="12"/>
<Bond from="11" to="13"/>
<Bond from="14" to="15"/>
<Bond from="9" to="10"/>
<Bond from="1" to="0"/>
<Bond from="2" to="0"/>
<Bond from="3" to="0"/>
<ExternalBond from="14"/>
</Residue>
<Residue name="CTER-ASN">
<Atom name="CA" type="390"/>
<Atom name="C" type="391"/>
<Atom name="OT1" type="392"/>
<Atom name="OT2" type="393"/>
<Atom name="N" type="34"/>
<Atom name="HN" type="35"/>
<Atom name="HA" type="37"/>
<Atom name="CB" type="38"/>
<Atom name="HB1" type="39"/>
<Atom name="HB2" type="40"/>
<Atom name="CG" type="41"/>
<Atom name="OD1" type="42"/>
<Atom name="ND2" type="43"/>
<Atom name="HD21" type="44"/>
<Atom name="HD22" type="45"/>
<Bond from="7" to="0"/>
<Bond from="10" to="7"/>
<Bond from="12" to="10"/>
<Bond from="4" to="5"/>
<Bond from="4" to="0"/>
<Bond from="1" to="0"/>
<Bond from="0" to="6"/>
<Bond from="7" to="8"/>
<Bond from="7" to="9"/>
<Bond from="12" to="13"/>
<Bond from="12" to="14"/>
<Bond from="10" to="11"/>
<Bond from="1" to="3"/>
<Bond from="1" to="2"/>
<ExternalBond from="4"/>
</Residue>
<Residue name="ASP">
<Atom name="N" type="48"/>
<Atom name="HN" type="49"/>
<Atom name="CA" type="50"/>
<Atom name="HA" type="51"/>
<Atom name="CB" type="52"/>
<Atom name="HB1" type="53"/>
<Atom name="HB2" type="54"/>
<Atom name="CG" type="55"/>
<Atom name="OD1" type="56"/>
<Atom name="OD2" type="57"/>
<Atom name="C" type="58"/>
<Atom name="O" type="59"/>
<Bond from="4" to="2"/>
<Bond from="7" to="4"/>
<Bond from="9" to="7"/>
<Bond from="0" to="1"/>
<Bond from="0" to="2"/>
<Bond from="10" to="2"/>
<Bond from="2" to="3"/>
<Bond from="4" to="5"/>
<Bond from="4" to="6"/>
<Bond from="11" to="10"/>
<Bond from="7" to="8"/>
<ExternalBond from="0"/>
<ExternalBond from="10"/>
</Residue>
<Residue name="NTER-ASP">
<Atom name="N" type="359"/>
<Atom name="HT1" type="360"/>
<Atom name="HT2" type="361"/>
<Atom name="HT3" type="362"/>
<Atom name="CA" type="50"/>
<Atom name="HA" type="51"/>
<Atom name="CB" type="52"/>
<Atom name="HB1" type="53"/>
<Atom name="HB2" type="54"/>
<Atom name="CG" type="55"/>
<Atom name="OD1" type="56"/>
<Atom name="OD2" type="57"/>
<Atom name="C" type="58"/>
<Atom name="O" type="59"/>
<Bond from="6" to="4"/>
<Bond from="9" to="6"/>
<Bond from="11" to="9"/>
<Bond from="0" to="4"/>
<Bond from="12" to="4"/>
<Bond from="4" to="5"/>
<Bond from="6" to="7"/>
<Bond from="6" to="8"/>
<Bond from="13" to="12"/>
<Bond from="9" to="10"/>
<Bond from="1" to="0"/>
<Bond from="2" to="0"/>
<Bond from="3" to="0"/>
<ExternalBond from="12"/>
</Residue>
<Residue name="CTER-ASP">
<Atom name="CA" type="390"/>
<Atom name="C" type="391"/>
<Atom name="OT1" type="392"/>
<Atom name="OT2" type="393"/>
<Atom name="N" type="48"/>
<Atom name="HN" type="49"/>
<Atom name="HA" type="51"/>
<Atom name="CB" type="52"/>
<Atom name="HB1" type="53"/>
<Atom name="HB2" type="54"/>
<Atom name="CG" type="55"/>
<Atom name="OD1" type="56"/>
<Atom name="OD2" type="57"/>
<Bond from="7" to="0"/>
<Bond from="10" to="7"/>
<Bond from="12" to="10"/>
<Bond from="4" to="5"/>
<Bond from="4" to="0"/>
<Bond from="1" to="0"/>
<Bond from="0" to="6"/>
<Bond from="7" to="8"/>
<Bond from="7" to="9"/>
<Bond from="10" to="11"/>
<Bond from="1" to="3"/>
<Bond from="1" to="2"/>
<ExternalBond from="4"/>
</Residue>
<Residue name="CYS">
<Atom name="N" type="60"/>
<Atom name="HN" type="61"/>
<Atom name="CA" type="62"/>
<Atom name="HA" type="63"/>
<Atom name="CB" type="64"/>
<Atom name="HB1" type="65"/>
<Atom name="HB2" type="66"/>
<Atom name="SG" type="67"/>
<Atom name="HG1" type="68"/>
<Atom name="C" type="69"/>
<Atom name="O" type="70"/>
<Bond from="4" to="2"/>
<Bond from="7" to="4"/>
<Bond from="0" to="1"/>
<Bond from="0" to="2"/>
<Bond from="9" to="2"/>
<Bond from="2" to="3"/>
<Bond from="4" to="5"/>
<Bond from="4" to="6"/>
<Bond from="7" to="8"/>
<Bond from="10" to="9"/>
<ExternalBond from="0"/>
<ExternalBond from="9"/>
</Residue>
<Residue name="NTER-CYS">
<Atom name="N" type="359"/>
<Atom name="HT1" type="360"/>
<Atom name="HT2" type="361"/>
<Atom name="HT3" type="362"/>
<Atom name="CA" type="62"/>
<Atom name="HA" type="63"/>
<Atom name="CB" type="64"/>
<Atom name="HB1" type="65"/>
<Atom name="HB2" type="66"/>
<Atom name="SG" type="67"/>
<Atom name="HG1" type="68"/>
<Atom name="C" type="69"/>
<Atom name="O" type="70"/>
<Bond from="6" to="4"/>
<Bond from="9" to="6"/>
<Bond from="0" to="4"/>
<Bond from="11" to="4"/>
<Bond from="4" to="5"/>
<Bond from="6" to="7"/>
<Bond from="6" to="8"/>
<Bond from="9" to="10"/>
<Bond from="12" to="11"/>
<Bond from="1" to="0"/>
<Bond from="2" to="0"/>
<Bond from="3" to="0"/>
<ExternalBond from="11"/>
</Residue>
<Residue name="CTER-CYS">
<Atom name="CA" type="390"/>
<Atom name="C" type="391"/>
<Atom name="OT1" type="392"/>
<Atom name="OT2" type="393"/>
<Atom name="N" type="60"/>
<Atom name="HN" type="61"/>
<Atom name="HA" type="63"/>
<Atom name="CB" type="64"/>
<Atom name="HB1" type="65"/>
<Atom name="HB2" type="66"/>
<Atom name="SG" type="67"/>
<Atom name="HG1" type="68"/>
<Bond from="7" to="0"/>
<Bond from="10" to="7"/>
<Bond from="4" to="5"/>
<Bond from="4" to="0"/>
<Bond from="1" to="0"/>
<Bond from="0" to="6"/>
<Bond from="7" to="8"/>
<Bond from="7" to="9"/>
<Bond from="10" to="11"/>
<Bond from="1" to="3"/>
<Bond from="1" to="2"/>
<ExternalBond from="4"/>
</Residue>
<Residue name="GLN">
<Atom name="N" type="71"/>
<Atom name="HN" type="72"/>
<Atom name="CA" type="73"/>
<Atom name="HA" type="74"/>
<Atom name="CB" type="75"/>
<Atom name="HB1" type="76"/>
<Atom name="HB2" type="77"/>
<Atom name="CG" type="78"/>
<Atom name="HG1" type="79"/>
<Atom name="HG2" type="80"/>
<Atom name="CD" type="81"/>
<Atom name="OE1" type="82"/>
<Atom name="NE2" type="83"/>
<Atom name="HE21" type="84"/>
<Atom name="HE22" type="85"/>
<Atom name="C" type="86"/>
<Atom name="O" type="87"/>
<Bond from="4" to="2"/>
<Bond from="7" to="4"/>
<Bond from="10" to="7"/>
<Bond from="12" to="10"/>
<Bond from="0" to="1"/>
<Bond from="0" to="2"/>
<Bond from="15" to="2"/>
<Bond from="2" to="3"/>
<Bond from="4" to="5"/>
<Bond from="4" to="6"/>
<Bond from="7" to="8"/>
<Bond from="7" to="9"/>
<Bond from="12" to="13"/>
<Bond from="12" to="14"/>
<Bond from="16" to="15"/>
<Bond from="10" to="11"/>
<ExternalBond from="0"/>
<ExternalBond from="15"/>
</Residue>
<Residue name="NTER-GLN">
<Atom name="N" type="359"/>
<Atom name="HT1" type="360"/>
<Atom name="HT2" type="361"/>
<Atom name="HT3" type="362"/>
<Atom name="CA" type="73"/>
<Atom name="HA" type="74"/>
<Atom name="CB" type="75"/>
<Atom name="HB1" type="76"/>
<Atom name="HB2" type="77"/>
<Atom name="CG" type="78"/>
<Atom name="HG1" type="79"/>
<Atom name="HG2" type="80"/>
<Atom name="CD" type="81"/>
<Atom name="OE1" type="82"/>
<Atom name="NE2" type="83"/>
<Atom name="HE21" type="84"/>
<Atom name="HE22" type="85"/>
<Atom name="C" type="86"/>
<Atom name="O" type="87"/>
<Bond from="6" to="4"/>
<Bond from="9" to="6"/>
<Bond from="12" to="9"/>
<Bond from="14" to="12"/>
<Bond from="0" to="4"/>
<Bond from="17" to="4"/>
<Bond from="4" to="5"/>