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Commit 39712657 authored by peastman's avatar peastman
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Remove duplicate patches

parent acc9e93a
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Showing with 2 additions and 1063 deletions
wrappers/python/simtk/openmm/app/data/charmm36.xml
View file @ 39712657
<ForceField>
<Info>
<DateGenerated>2018-02-18</DateGenerated>
<DateGenerated>2018-04-23</DateGenerated>
<Source Source="toppar/top_all36_prot.rtf" md5hash="a1578a08887ca63dd287822e5ab1d257" sourcePackage="charmm36" sourcePackageVersion="toppar_c36_aug15.tgz">toppar/top_all36_prot.rtf</Source>
<Source Source="toppar/par_all36_prot.prm" md5hash="ee440c538bf6f59b39dfe24ebd690588" sourcePackage="charmm36" sourcePackageVersion="toppar_c36_aug15.tgz">toppar/par_all36_prot.prm</Source>
<Source Source="toppar/top_all36_na.rtf" md5hash="017592c37ecc6f164783c0ba6ae6d38e" sourcePackage="charmm36" sourcePackageVersion="toppar_c36_aug15.tgz">toppar/top_all36_na.rtf</Source>
......@@ -505,13 +505,9 @@
<ExternalBond atomName="C"/>
<AllowPatch name="NTER"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="NNEU"/>
<AllowPatch name="CTER"/>
<AllowPatch name="CNEU"/>
<AllowPatch name="CTP"/>
<AllowPatch name="CT1"/>
<AllowPatch name="CT2"/>
<AllowPatch name="CT3"/>
......@@ -568,13 +564,9 @@
<ExternalBond atomName="C"/>
<AllowPatch name="NTER"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="NNEU"/>
<AllowPatch name="CTER"/>
<AllowPatch name="CNEU"/>
<AllowPatch name="CTP"/>
<AllowPatch name="CT1"/>
<AllowPatch name="CT2"/>
<AllowPatch name="CT3"/>
......@@ -611,13 +603,9 @@
<ExternalBond atomName="C"/>
<AllowPatch name="NTER"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="NNEU"/>
<AllowPatch name="CTER"/>
<AllowPatch name="CNEU"/>
<AllowPatch name="CTP"/>
<AllowPatch name="CT1"/>
<AllowPatch name="CT2"/>
<AllowPatch name="CT3"/>
......@@ -650,13 +638,9 @@
<ExternalBond atomName="C"/>
<AllowPatch name="NTER"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="NNEU"/>
<AllowPatch name="CTER"/>
<AllowPatch name="CNEU"/>
<AllowPatch name="CTP"/>
<AllowPatch name="CT1"/>
<AllowPatch name="CT2"/>
<AllowPatch name="CT3"/>
......@@ -688,18 +672,13 @@
<ExternalBond atomName="C"/>
<AllowPatch name="NTER"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="NNEU"/>
<AllowPatch name="CTER"/>
<AllowPatch name="CNEU"/>
<AllowPatch name="CTP"/>
<AllowPatch name="CT1"/>
<AllowPatch name="CT2"/>
<AllowPatch name="CT3"/>
<AllowPatch name="CYSD"/>
<AllowPatch name="CSN"/>
</Residue>
<Residue name="GLN">
<Atom charge="-0.47" name="N" type="NH1"/>
......@@ -739,13 +718,9 @@
<ExternalBond atomName="C"/>
<AllowPatch name="NTER"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="NNEU"/>
<AllowPatch name="CTER"/>
<AllowPatch name="CNEU"/>
<AllowPatch name="CTP"/>
<AllowPatch name="CT1"/>
<AllowPatch name="CT2"/>
<AllowPatch name="CT3"/>
......@@ -784,13 +759,9 @@
<ExternalBond atomName="C"/>
<AllowPatch name="NTER"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="NNEU"/>
<AllowPatch name="CTER"/>
<AllowPatch name="CNEU"/>
<AllowPatch name="CTP"/>
<AllowPatch name="CT1"/>
<AllowPatch name="CT2"/>
<AllowPatch name="CT3"/>
......@@ -812,15 +783,9 @@
<Bond atomName1="O" atomName2="C"/>
<ExternalBond atomName="N"/>
<ExternalBond atomName="C"/>
<AllowPatch name="GLYP"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="NGNE"/>
<AllowPatch name="CTER"/>
<AllowPatch name="CNEU"/>
<AllowPatch name="CTP"/>
<AllowPatch name="CT2"/>
<AllowPatch name="CT3"/>
</Residue>
......@@ -863,13 +828,9 @@
<ExternalBond atomName="C"/>
<AllowPatch name="NTER"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="NNEU"/>
<AllowPatch name="CTER"/>
<AllowPatch name="CNEU"/>
<AllowPatch name="CTP"/>
<AllowPatch name="CT1"/>
<AllowPatch name="CT2"/>
<AllowPatch name="CT3"/>
......@@ -914,13 +875,9 @@
<ExternalBond atomName="C"/>
<AllowPatch name="NTER"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="NNEU"/>
<AllowPatch name="CTER"/>
<AllowPatch name="CNEU"/>
<AllowPatch name="CTP"/>
<AllowPatch name="CT1"/>
<AllowPatch name="CT2"/>
<AllowPatch name="CT3"/>
......@@ -966,13 +923,9 @@
<ExternalBond atomName="C"/>
<AllowPatch name="NTER"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="NNEU"/>
<AllowPatch name="CTER"/>
<AllowPatch name="CNEU"/>
<AllowPatch name="CTP"/>
<AllowPatch name="CT1"/>
<AllowPatch name="CT2"/>
<AllowPatch name="CT3"/>
......@@ -1020,13 +973,9 @@
<ExternalBond atomName="C"/>
<AllowPatch name="NTER"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="NNEU"/>
<AllowPatch name="CTER"/>
<AllowPatch name="CNEU"/>
<AllowPatch name="CTP"/>
<AllowPatch name="CT1"/>
<AllowPatch name="CT2"/>
<AllowPatch name="CT3"/>
......@@ -1073,13 +1022,9 @@
<ExternalBond atomName="C"/>
<AllowPatch name="NTER"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="NNEU"/>
<AllowPatch name="CTER"/>
<AllowPatch name="CNEU"/>
<AllowPatch name="CTP"/>
<AllowPatch name="CT1"/>
<AllowPatch name="CT2"/>
<AllowPatch name="CT3"/>
......@@ -1132,13 +1077,9 @@
<ExternalBond atomName="C"/>
<AllowPatch name="NTER"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="NNEU"/>
<AllowPatch name="CTER"/>
<AllowPatch name="CNEU"/>
<AllowPatch name="CTP"/>
<AllowPatch name="CT1"/>
<AllowPatch name="CT2"/>
<AllowPatch name="CT3"/>
......@@ -1183,13 +1124,9 @@
<ExternalBond atomName="C"/>
<AllowPatch name="NTER"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="NNEU"/>
<AllowPatch name="CTER"/>
<AllowPatch name="CNEU"/>
<AllowPatch name="CTP"/>
<AllowPatch name="CT1"/>
<AllowPatch name="CT2"/>
<AllowPatch name="CT3"/>
......@@ -1239,13 +1176,9 @@
<ExternalBond atomName="C"/>
<AllowPatch name="NTER"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="NNEU"/>
<AllowPatch name="CTER"/>
<AllowPatch name="CNEU"/>
<AllowPatch name="CTP"/>
<AllowPatch name="CT1"/>
<AllowPatch name="CT2"/>
<AllowPatch name="CT3"/>
......@@ -1293,12 +1226,8 @@
<ExternalBond atomName="C"/>
<AllowPatch name="PROP"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="CTER"/>
<AllowPatch name="CNEU"/>
<AllowPatch name="CTP"/>
<AllowPatch name="CT2"/>
<AllowPatch name="CT3"/>
</Residue>
......@@ -1328,17 +1257,12 @@
<ExternalBond atomName="C"/>
<AllowPatch name="NTER"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="NNEU"/>
<AllowPatch name="CTER"/>
<AllowPatch name="CNEU"/>
<AllowPatch name="CTP"/>
<AllowPatch name="CT1"/>
<AllowPatch name="CT2"/>
<AllowPatch name="CT3"/>
<AllowPatch name="SERD"/>
</Residue>
<Residue name="THR">
<Atom charge="-0.47" name="N" type="NH1"/>
......@@ -1372,13 +1296,9 @@
<ExternalBond atomName="C"/>
<AllowPatch name="NTER"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="NNEU"/>
<AllowPatch name="CTER"/>
<AllowPatch name="CNEU"/>
<AllowPatch name="CTP"/>
<AllowPatch name="CT1"/>
<AllowPatch name="CT2"/>
<AllowPatch name="CT3"/>
......@@ -1437,13 +1357,9 @@
<ExternalBond atomName="C"/>
<AllowPatch name="NTER"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="NNEU"/>
<AllowPatch name="CTER"/>
<AllowPatch name="CNEU"/>
<AllowPatch name="CTP"/>
<AllowPatch name="CT1"/>
<AllowPatch name="CT2"/>
<AllowPatch name="CT3"/>
......@@ -1495,13 +1411,9 @@
<ExternalBond atomName="C"/>
<AllowPatch name="NTER"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="NNEU"/>
<AllowPatch name="CTER"/>
<AllowPatch name="CNEU"/>
<AllowPatch name="CTP"/>
<AllowPatch name="CT1"/>
<AllowPatch name="CT2"/>
<AllowPatch name="CT3"/>
......@@ -1552,13 +1464,9 @@
<ExternalBond atomName="C"/>
<AllowPatch name="NTER"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="NNEU"/>
<AllowPatch name="CTER"/>
<AllowPatch name="CNEU"/>
<AllowPatch name="CTP"/>
<AllowPatch name="CT1"/>
<AllowPatch name="CT2"/>
<AllowPatch name="CT3"/>
......@@ -1632,13 +1540,9 @@
<ExternalBond atomName="C"/>
<AllowPatch name="NTER"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="NNEU"/>
<AllowPatch name="CTER"/>
<AllowPatch name="CNEU"/>
<AllowPatch name="CTP"/>
<AllowPatch name="CT1"/>
<AllowPatch name="CT2"/>
<AllowPatch name="CT3"/>
......@@ -1716,7 +1620,6 @@
<Bond atomName1="C6" atomName2="O6"/>
<ExternalBond atomName="O3'"/>
<AllowPatch name="DEO5"/>
<AllowPatch name="DEOX"/>
<AllowPatch name="CY35"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -1791,7 +1694,6 @@
<Bond atomName1="N7" atomName2="C8"/>
<ExternalBond atomName="O3'"/>
<AllowPatch name="DEO5"/>
<AllowPatch name="DEOX"/>
<AllowPatch name="CY35"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -1861,7 +1763,6 @@
<Bond atomName1="N3" atomName2="C4"/>
<ExternalBond atomName="O3'"/>
<AllowPatch name="DEO5"/>
<AllowPatch name="DEOX"/>
<AllowPatch name="CY35"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -1935,7 +1836,6 @@
<Bond atomName1="C5" atomName2="C6"/>
<ExternalBond atomName="O3'"/>
<AllowPatch name="DEO5"/>
<AllowPatch name="DEOX"/>
<AllowPatch name="CY35"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -2003,7 +1903,6 @@
<Bond atomName1="C5" atomName2="C6"/>
<ExternalBond atomName="O3'"/>
<AllowPatch name="DEO5"/>
<AllowPatch name="DEOX"/>
<AllowPatch name="CY35"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -2117,9 +2016,6 @@
<Bond atomName1="CA" atomName2="HA2"/>
<Bond atomName1="OT1" atomName2="C"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
</Residue>
<Residue name="MAMM">
<Atom charge="0.16" name="CE" type="CG334"/>
......@@ -2273,7 +2169,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="FORM">
<Atom charge="0.08" name="HA" type="HGR52"/>
......@@ -2288,9 +2183,6 @@
<Bond atomName1="N" atomName2="HT"/>
<Bond atomName1="C" atomName2="O"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
</Residue>
<Residue name="ACEM">
<Atom charge="-0.27" name="CC" type="CG331"/>
......@@ -2311,12 +2203,8 @@
<Bond atomName1="CC" atomName2="HC2"/>
<Bond atomName1="CC" atomName2="HC3"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="CTER"/>
<AllowPatch name="CNEU"/>
<AllowPatch name="CTP"/>
<AllowPatch name="CT2"/>
<AllowPatch name="CT3"/>
</Residue>
......@@ -2345,12 +2233,8 @@
<Bond atomName1="C1" atomName2="H12"/>
<Bond atomName1="C1" atomName2="H13"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="CTER"/>
<AllowPatch name="CNEU"/>
<AllowPatch name="CTP"/>
<AllowPatch name="CT2"/>
<AllowPatch name="CT3"/>
<AllowPatch name="MET1"/>
......@@ -2380,12 +2264,8 @@
<Bond atomName1="HR3" atomName2="CR"/>
<Bond atomName1="C" atomName2="O"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="CTER"/>
<AllowPatch name="CNEU"/>
<AllowPatch name="CTP"/>
<AllowPatch name="CT2"/>
<AllowPatch name="CT3"/>
</Residue>
......@@ -2968,9 +2848,6 @@
<Bond atomName1="CY" atomName2="OY"/>
<AllowPatch name="PROP"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="CTER"/>
<AllowPatch name="CT2"/>
<AllowPatch name="CT3"/>
......@@ -3030,12 +2907,8 @@
<Bond atomName1="CY" atomName2="OY"/>
<AllowPatch name="PROP"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="CTER"/>
<AllowPatch name="CNEU"/>
<AllowPatch name="CTP"/>
</Residue>
<Residue name="PNH2">
<Atom charge="-0.07" name="N" type="NG3P2"/>
......@@ -3078,9 +2951,6 @@
<Bond atomName1="C" atomName2="O"/>
<AllowPatch name="PROP"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="CTER"/>
<AllowPatch name="CT2"/>
<AllowPatch name="CT3"/>
......@@ -4808,9 +4678,6 @@
<Bond atomName1="C4" atomName2="H42"/>
<Bond atomName1="C4" atomName2="H43"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -4855,9 +4722,6 @@
<Bond atomName1="C5" atomName2="H52"/>
<Bond atomName1="C5" atomName2="H53"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -4904,9 +4768,6 @@
<Bond atomName1="C5" atomName2="OH1"/>
<Bond atomName1="OH1" atomName2="HO1"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -4963,9 +4824,6 @@
<Bond atomName1="C7" atomName2="H72"/>
<Bond atomName1="C7" atomName2="H73"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -5026,9 +4884,6 @@
<Bond atomName1="C6" atomName2="H62"/>
<Bond atomName1="C6" atomName2="H63"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -5105,9 +4960,6 @@
<Bond atomName1="P" atomName2="O4"/>
<Bond atomName1="O1" atomName2="C5"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -5170,9 +5022,6 @@
<Bond atomName1="C8" atomName2="H82"/>
<Bond atomName1="C8" atomName2="H83"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -5201,9 +5050,6 @@
<Bond atomName1="C5" atomName2="OH1"/>
<Bond atomName1="OH1" atomName2="HO1"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
</Residue>
<Residue name="GLYC">
......@@ -10460,9 +10306,6 @@
<Bond atomName1="N7" atomName2="C8"/>
<Bond atomName1="C" atomName2="OT1"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="DEO5"/>
<AllowPatch name="3TER"/>
<AllowPatch name="3PHO"/>
......@@ -14597,9 +14440,6 @@
<Bond atomName1="CG" atomName2="OG1"/>
<Bond atomName1="CG" atomName2="OG2"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="AL"/>
<AllowPatch name="MET1"/>
<AllowPatch name="2APD"/>
......@@ -14792,19 +14632,13 @@
<Bond atomName1="NT" atomName2="HT1"/>
<Bond atomName1="NT" atomName2="HT2"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="G4MP"/>
<AllowPatch name="G4P"/>
<AllowPatch name="G3PR"/>
<AllowPatch name="G3PS"/>
<AllowPatch name="MET1"/>
<AllowPatch name="GBP"/>
<AllowPatch name="3MPS"/>
<AllowPatch name="2MPR"/>
<AllowPatch name="3MPR"/>
<AllowPatch name="2MPS"/>
</Residue>
<Residue name="FBIB">
<Atom charge="0.0" name="CG" type="CG2R61"/>
......@@ -14872,7 +14706,6 @@
<AllowPatch name="FBID"/>
<AllowPatch name="FBIE"/>
<AllowPatch name="FBIFR"/>
<AllowPatch name="FBIFS"/>
<AllowPatch name="2MBD"/>
<AllowPatch name="3MBD"/>
<AllowPatch name="2XBD"/>
......@@ -15221,12 +15054,8 @@
<Bond atomName1="C22" atomName2="H223"/>
<Bond atomName1="C" atomName2="O"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="CTER"/>
<AllowPatch name="CNEU"/>
<AllowPatch name="CTP"/>
<AllowPatch name="CT2"/>
<AllowPatch name="CT3"/>
</Residue>
......@@ -15518,7 +15347,6 @@
<Bond atomName1="CM" atomName2="HM3"/>
<AllowPatch name="CTER"/>
<AllowPatch name="CNEU"/>
<AllowPatch name="CTP"/>
<AllowPatch name="CT2"/>
<AllowPatch name="CT3"/>
<AllowPatch name="2A3HPD"/>
......@@ -15566,7 +15394,6 @@
<Bond atomName1="CM" atomName2="HM3"/>
<AllowPatch name="CTER"/>
<AllowPatch name="CNEU"/>
<AllowPatch name="CTP"/>
<AllowPatch name="CT2"/>
<AllowPatch name="CT3"/>
<AllowPatch name="2XBD"/>
......@@ -15613,12 +15440,8 @@
<Bond atomName1="CD2" atomName2="HD2"/>
<Bond atomName1="CD2" atomName2="CZ"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="CTER"/>
<AllowPatch name="CNEU"/>
<AllowPatch name="CTP"/>
<AllowPatch name="CT2"/>
<AllowPatch name="CT3"/>
<AllowPatch name="4FBD"/>
......@@ -15826,9 +15649,6 @@
<Bond atomName1="CD2" atomName2="HD2"/>
<Bond atomName1="CD2" atomName2="CZ"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="4FBD"/>
<AllowPatch name="3FBD"/>
<AllowPatch name="2FBD"/>
......@@ -17508,7 +17328,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="NEOP">
<Atom charge="0.0" name="C" type="CG301"/>
......@@ -18020,7 +17839,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="SUF3A"/>
<AllowPatch name="SUF3B"/>
</Residue>
<Residue name="PCLT">
<Atom charge="0.03" name="CG" type="CG2R61"/>
......@@ -18842,9 +18660,6 @@
<Bond atomName1="N" atomName2="C3"/>
<Bond atomName1="C" atomName2="O"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -18873,9 +18688,6 @@
<Bond atomName1="HC3" atomName2="CC"/>
<Bond atomName1="C" atomName2="O"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
</Residue>
<Residue name="HEXD">
<Atom charge="0.09" name="H11" type="HGA2"/>
......@@ -18988,9 +18800,6 @@
<Bond atomName1="C3" atomName2="H32"/>
<Bond atomName1="C3" atomName2="H33"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -19231,19 +19040,13 @@
<Bond atomName1="NT" atomName2="HT1"/>
<Bond atomName1="NT" atomName2="HT2"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="G4MP"/>
<AllowPatch name="G4P"/>
<AllowPatch name="G3PR"/>
<AllowPatch name="G3PS"/>
<AllowPatch name="MET1"/>
<AllowPatch name="GBP"/>
<AllowPatch name="3MPS"/>
<AllowPatch name="2MPR"/>
<AllowPatch name="3MPR"/>
<AllowPatch name="2MPS"/>
</Residue>
<Residue name="STYR">
<Atom charge="-0.115" name="CG" type="CG2R61"/>
......@@ -19654,9 +19457,6 @@
<Bond atomName1="C3" atomName2="H32"/>
<Bond atomName1="C3" atomName2="H33"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -19804,9 +19604,6 @@
<Bond atomName1="C4" atomName2="H43"/>
<Bond atomName1="C" atomName2="O"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -22495,12 +22292,8 @@
<Bond atomName1="C3" atomName2="H33"/>
<Bond atomName1="C" atomName2="O"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="CTER"/>
<AllowPatch name="CNEU"/>
<AllowPatch name="CTP"/>
<AllowPatch name="CT2"/>
<AllowPatch name="CT3"/>
<AllowPatch name="MET1"/>
......@@ -22521,9 +22314,6 @@
<Bond atomName1="C1" atomName2="H12"/>
<Bond atomName1="C1" atomName2="H13"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
</Residue>
<Residue name="CO31">
......@@ -23300,7 +23090,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="BGLC">
<Atom charge="0.34" name="C1" type="CC3162"/>
......@@ -23354,7 +23143,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="AALT">
<Atom charge="0.34" name="C1" type="CC3162"/>
......@@ -23408,7 +23196,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="BALT">
<Atom charge="0.34" name="C1" type="CC3162"/>
......@@ -23462,7 +23249,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="AALL">
<Atom charge="0.34" name="C1" type="CC3162"/>
......@@ -23516,7 +23302,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="BALL">
<Atom charge="0.34" name="C1" type="CC3162"/>
......@@ -23570,7 +23355,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="AGAL">
<Atom charge="0.34" name="C1" type="CC3162"/>
......@@ -23624,7 +23408,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="BGAL">
<Atom charge="0.34" name="C1" type="CC3162"/>
......@@ -23678,7 +23461,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="AGUL">
<Atom charge="0.34" name="C1" type="CC3162"/>
......@@ -23732,7 +23514,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="BGUL">
<Atom charge="0.34" name="C1" type="CC3162"/>
......@@ -23786,7 +23567,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="AIDO">
<Atom charge="0.34" name="C1" type="CC3162"/>
......@@ -23840,7 +23620,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="BIDO">
<Atom charge="0.34" name="C1" type="CC3162"/>
......@@ -23894,7 +23673,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="AMAN">
<Atom charge="0.34" name="C1" type="CC3162"/>
......@@ -23948,7 +23726,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="BMAN">
<Atom charge="0.34" name="C1" type="CC3162"/>
......@@ -24002,7 +23779,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="ATAL">
<Atom charge="0.34" name="C1" type="CC3162"/>
......@@ -24056,7 +23832,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="BTAL">
<Atom charge="0.34" name="C1" type="CC3162"/>
......@@ -24110,7 +23885,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="AXYL">
<Atom charge="0.34" name="C1" type="CC3162"/>
......@@ -24156,7 +23930,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="BXYL">
<Atom charge="0.34" name="C1" type="CC3162"/>
......@@ -24202,7 +23975,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="AFUC">
<Atom charge="0.34" name="C1" type="CC3162"/>
......@@ -24254,7 +24026,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="BFUC">
<Atom charge="0.34" name="C1" type="CC3162"/>
......@@ -24306,7 +24077,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="ARHM">
<Atom charge="0.34" name="C1" type="CC3162"/>
......@@ -24358,7 +24128,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="BRHM">
<Atom charge="0.34" name="C1" type="CC3162"/>
......@@ -24410,7 +24179,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="AGLCA">
<Atom charge="0.34" name="C1" type="CC3162"/>
......@@ -24460,7 +24228,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="BGLCA">
<Atom charge="0.34" name="C1" type="CC3162"/>
......@@ -24510,7 +24277,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="BGLCA0">
<Atom charge="0.34" name="C1" type="CC3162"/>
......@@ -24560,7 +24326,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="AIDOA">
<Atom charge="0.34" name="C1" type="CC3162"/>
......@@ -24610,7 +24375,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="BIDOA">
<Atom charge="0.34" name="C1" type="CC3162"/>
......@@ -24660,7 +24424,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="AGLCNA">
<Atom charge="0.34" name="C1" type="CC3162"/>
......@@ -24724,9 +24487,6 @@
<Bond atomName1="CT" atomName2="HT2"/>
<Bond atomName1="CT" atomName2="HT3"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="CTER"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
......@@ -24793,9 +24553,6 @@
<Bond atomName1="CT" atomName2="HT2"/>
<Bond atomName1="CT" atomName2="HT3"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="CTER"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
......@@ -24862,9 +24619,6 @@
<Bond atomName1="CT" atomName2="HT2"/>
<Bond atomName1="CT" atomName2="HT3"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="CTER"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
......@@ -24931,9 +24685,6 @@
<Bond atomName1="CT" atomName2="HT2"/>
<Bond atomName1="CT" atomName2="HT3"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="CTER"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
......@@ -25000,9 +24751,6 @@
<Bond atomName1="CT" atomName2="HT2"/>
<Bond atomName1="CT" atomName2="HT3"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="CTER"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
......@@ -25087,9 +24835,6 @@
<Bond atomName1="C9" atomName2="O9"/>
<Bond atomName1="O9" atomName2="HO9"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="CTER"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
......@@ -25174,9 +24919,6 @@
<Bond atomName1="C9" atomName2="O9"/>
<Bond atomName1="O9" atomName2="HO9"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="CTER"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
......@@ -25229,7 +24971,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="ARHMOA">
<Atom charge="0.34" name="C1" type="CC3162"/>
......@@ -25322,7 +25063,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="MERYOL">
<Atom charge="0.05" name="C1" type="CC322"/>
......@@ -25363,7 +25103,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="DTHROL">
<Atom charge="0.05" name="C1" type="CC322"/>
......@@ -25404,7 +25143,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="LTHROL">
<Atom charge="0.05" name="C1" type="CC322"/>
......@@ -25445,7 +25183,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="MRIBOL">
<Atom charge="0.05" name="C1" type="CC322"/>
......@@ -25494,7 +25231,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="DARAOL">
<Atom charge="0.05" name="C1" type="CC322"/>
......@@ -25543,7 +25279,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="LARAOL">
<Atom charge="0.05" name="C1" type="CC322"/>
......@@ -25592,7 +25327,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="MXYLOL">
<Atom charge="0.05" name="C1" type="CC322"/>
......@@ -25641,7 +25375,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="MALLOL">
<Atom charge="0.05" name="C1" type="CC322"/>
......@@ -25698,7 +25431,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="DALTOL">
<Atom charge="0.05" name="C1" type="CC322"/>
......@@ -25755,7 +25487,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="LALTOL">
<Atom charge="0.05" name="C1" type="CC322"/>
......@@ -25812,7 +25543,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="DGLUOL">
<Atom charge="0.05" name="C1" type="CC322"/>
......@@ -25869,7 +25599,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="LGLUOL">
<Atom charge="0.05" name="C1" type="CC322"/>
......@@ -25926,7 +25655,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="DMANOL">
<Atom charge="0.05" name="C1" type="CC322"/>
......@@ -25983,7 +25711,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="LMANOL">
<Atom charge="0.05" name="C1" type="CC322"/>
......@@ -26040,7 +25767,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="DGULOL">
<Atom charge="0.05" name="C1" type="CC322"/>
......@@ -26097,7 +25823,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="LGULOL">
<Atom charge="0.05" name="C1" type="CC322"/>
......@@ -26154,7 +25879,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="DIDIOL">
<Atom charge="0.05" name="C1" type="CC322"/>
......@@ -26211,7 +25935,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="LIDIOL">
<Atom charge="0.05" name="C1" type="CC322"/>
......@@ -26268,7 +25991,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="MGALOL">
<Atom charge="0.05" name="C1" type="CC322"/>
......@@ -26325,7 +26047,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="ALLOSE">
<Atom charge="0.2" name="C1" type="CC2O4"/>
......@@ -26481,7 +26202,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="INI2">
<Atom charge="0.14" name="C1" type="CC3161"/>
......@@ -26535,7 +26255,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="INI3">
<Atom charge="0.14" name="C1" type="CC3161"/>
......@@ -26589,7 +26308,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="INI4">
<Atom charge="0.14" name="C1" type="CC3161"/>
......@@ -26643,7 +26361,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="INI5">
<Atom charge="0.14" name="C1" type="CC3161"/>
......@@ -26697,7 +26414,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="ADEO">
<Atom charge="-0.4" name="O4" type="OC3C51"/>
......@@ -26827,7 +26543,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="BRIB">
<Atom charge="-0.4" name="O4" type="OC3C51"/>
......@@ -26873,7 +26588,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="AARB">
<Atom charge="-0.4" name="O4" type="OC3C51"/>
......@@ -26919,7 +26633,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="BARB">
<Atom charge="-0.4" name="O4" type="OC3C51"/>
......@@ -26965,7 +26678,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="ALYF">
<Atom charge="-0.4" name="O4" type="OC3C51"/>
......@@ -27011,7 +26723,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="BLYF">
<Atom charge="-0.4" name="O4" type="OC3C51"/>
......@@ -27057,7 +26768,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="AXYF">
<Atom charge="-0.4" name="O4" type="OC3C51"/>
......@@ -27103,7 +26813,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="BXYF">
<Atom charge="-0.4" name="O4" type="OC3C51"/>
......@@ -27149,7 +26858,6 @@
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
<AllowPatch name="OB2AC"/>
<AllowPatch name="OR2AC"/>
</Residue>
<Residue name="AFRU">
<Atom charge="-0.4" name="O5" type="OC3C51"/>
......@@ -27396,9 +27104,6 @@
<Bond atomName1="C312" atomName2="H12Y"/>
<Bond atomName1="C312" atomName2="H12Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -27615,9 +27320,6 @@
<Bond atomName1="C312" atomName2="H12Y"/>
<Bond atomName1="C312" atomName2="H12Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -27816,9 +27518,6 @@
<Bond atomName1="C312" atomName2="H12Y"/>
<Bond atomName1="C312" atomName2="H12Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -28021,9 +27720,6 @@
<Bond atomName1="C312" atomName2="H12Y"/>
<Bond atomName1="C312" atomName2="H12Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -28644,9 +28340,6 @@
<Bond atomName1="C314" atomName2="H14Y"/>
<Bond atomName1="C314" atomName2="H14Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -28869,9 +28562,6 @@
<Bond atomName1="C314" atomName2="H14Y"/>
<Bond atomName1="C314" atomName2="H14Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -29098,9 +28788,6 @@
<Bond atomName1="C314" atomName2="H14Y"/>
<Bond atomName1="C314" atomName2="H14Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -29793,9 +29480,6 @@
<Bond atomName1="C316" atomName2="H16Y"/>
<Bond atomName1="C316" atomName2="H16Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -30042,9 +29726,6 @@
<Bond atomName1="C316" atomName2="H16Y"/>
<Bond atomName1="C316" atomName2="H16Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -30295,9 +29976,6 @@
<Bond atomName1="C316" atomName2="H16Y"/>
<Bond atomName1="C316" atomName2="H16Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -31062,9 +30740,6 @@
<Bond atomName1="C318" atomName2="H18Y"/>
<Bond atomName1="C318" atomName2="H18Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -31335,9 +31010,6 @@
<Bond atomName1="C318" atomName2="H18Y"/>
<Bond atomName1="C318" atomName2="H18Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -31612,9 +31284,6 @@
<Bond atomName1="C318" atomName2="H18Y"/>
<Bond atomName1="C318" atomName2="H18Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -32419,9 +32088,6 @@
<Bond atomName1="C318" atomName2="H18Y"/>
<Bond atomName1="C318" atomName2="H18Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -32684,9 +32350,6 @@
<Bond atomName1="C318" atomName2="H18Y"/>
<Bond atomName1="C318" atomName2="H18Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -32953,9 +32616,6 @@
<Bond atomName1="C318" atomName2="H18Y"/>
<Bond atomName1="C318" atomName2="H18Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -33736,9 +33396,6 @@
<Bond atomName1="C316" atomName2="H16Y"/>
<Bond atomName1="C316" atomName2="H16Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -33993,9 +33650,6 @@
<Bond atomName1="C316" atomName2="H16Y"/>
<Bond atomName1="C316" atomName2="H16Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -34254,9 +33908,6 @@
<Bond atomName1="C316" atomName2="H16Y"/>
<Bond atomName1="C316" atomName2="H16Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -35033,9 +34684,6 @@
<Bond atomName1="C318" atomName2="H18Y"/>
<Bond atomName1="C318" atomName2="H18Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -35324,9 +34972,6 @@
<Bond atomName1="C318" atomName2="H18Y"/>
<Bond atomName1="C318" atomName2="H18Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -35611,9 +35256,6 @@
<Bond atomName1="C318" atomName2="H18Y"/>
<Bond atomName1="C318" atomName2="H18Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -35894,9 +35536,6 @@
<Bond atomName1="C320" atomName2="H20X"/>
<Bond atomName1="C320" atomName2="H20Y"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -36838,9 +36477,6 @@
<Bond atomName1="CT4" atomName2="HT42"/>
<Bond atomName1="CT4" atomName2="HT43"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="CTER"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
......@@ -36917,9 +36553,6 @@
<Bond atomName1="CT4" atomName2="HT42"/>
<Bond atomName1="CT4" atomName2="HT43"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="CTER"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
......@@ -38707,9 +38340,6 @@
<Bond atomName1="C316" atomName2="H16Y"/>
<Bond atomName1="C316" atomName2="H16Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -38952,9 +38582,6 @@
<Bond atomName1="C316" atomName2="H16Y"/>
<Bond atomName1="C316" atomName2="H16Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -39204,9 +38831,6 @@
<Bond atomName1="C316" atomName2="H16Y"/>
<Bond atomName1="C316" atomName2="H16Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -39450,9 +39074,6 @@
<Bond atomName1="C315" atomName2="H15Y"/>
<Bond atomName1="C315" atomName2="H15Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -39703,9 +39324,6 @@
<Bond atomName1="C318" atomName2="H18Y"/>
<Bond atomName1="C318" atomName2="H18Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -40215,9 +39833,6 @@
<Bond atomName1="C316" atomName2="H16Y"/>
<Bond atomName1="C316" atomName2="H16Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -40482,9 +40097,6 @@
<Bond atomName1="C316" atomName2="H16Y"/>
<Bond atomName1="C316" atomName2="H16Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -40797,9 +40409,6 @@
<Bond atomName1="C320" atomName2="H20Y"/>
<Bond atomName1="C320" atomName2="H20Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -52691,9 +52300,6 @@
<Bond atomName1="C311" atomName2="H11Y"/>
<Bond atomName1="C311" atomName2="H11Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -52820,9 +52426,6 @@
<Bond atomName1="C39" atomName2="H9Y"/>
<Bond atomName1="C39" atomName2="H9Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -52979,9 +52582,6 @@
<Bond atomName1="C37" atomName2="H7Y"/>
<Bond atomName1="C37" atomName2="H7Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -72495,9 +72095,6 @@
<Bond atomName1="C316" atomName2="H16Y"/>
<Bond atomName1="C316" atomName2="H16Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -72802,9 +72399,6 @@
<Bond atomName1="C320" atomName2="H20Y"/>
<Bond atomName1="C320" atomName2="H20Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -73133,9 +72727,6 @@
<Bond atomName1="C322" atomName2="H22Y"/>
<Bond atomName1="C322" atomName2="H22Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -73488,9 +73079,6 @@
<Bond atomName1="C324" atomName2="H24Y"/>
<Bond atomName1="C324" atomName2="H24Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -73729,9 +73317,6 @@
<Bond atomName1="C316" atomName2="H16Y"/>
<Bond atomName1="C316" atomName2="H16Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -74018,9 +73603,6 @@
<Bond atomName1="C320" atomName2="H20Y"/>
<Bond atomName1="C320" atomName2="H20Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -74331,9 +73913,6 @@
<Bond atomName1="C322" atomName2="H22Y"/>
<Bond atomName1="C322" atomName2="H22Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -74668,9 +74247,6 @@
<Bond atomName1="C324" atomName2="H24Y"/>
<Bond atomName1="C324" atomName2="H24Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -74937,9 +74513,6 @@
<Bond atomName1="C318" atomName2="H18Y"/>
<Bond atomName1="C318" atomName2="H18Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -75202,9 +74775,6 @@
<Bond atomName1="C318" atomName2="H18Y"/>
<Bond atomName1="C318" atomName2="H18Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -75455,9 +75025,6 @@
<Bond atomName1="C316" atomName2="H16Y"/>
<Bond atomName1="C316" atomName2="H16Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -75738,9 +75305,6 @@
<Bond atomName1="C318" atomName2="H18Y"/>
<Bond atomName1="C318" atomName2="H18Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -76009,9 +75573,6 @@
<Bond atomName1="C316" atomName2="H16Y"/>
<Bond atomName1="C316" atomName2="H16Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -76254,9 +75815,6 @@
<Bond atomName1="C316" atomName2="H16Y"/>
<Bond atomName1="C316" atomName2="H16Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -76547,9 +76105,6 @@
<Bond atomName1="C320" atomName2="H20Y"/>
<Bond atomName1="C320" atomName2="H20Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -76864,9 +76419,6 @@
<Bond atomName1="C322" atomName2="H22Y"/>
<Bond atomName1="C322" atomName2="H22Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -77205,9 +76757,6 @@
<Bond atomName1="C324" atomName2="H24Y"/>
<Bond atomName1="C324" atomName2="H24Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -77478,9 +77027,6 @@
<Bond atomName1="C318" atomName2="H18Y"/>
<Bond atomName1="C318" atomName2="H18Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -77747,9 +77293,6 @@
<Bond atomName1="C318" atomName2="H18Y"/>
<Bond atomName1="C318" atomName2="H18Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -78004,9 +77547,6 @@
<Bond atomName1="C316" atomName2="H16Y"/>
<Bond atomName1="C316" atomName2="H16Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -82057,9 +81597,6 @@
<Bond atomName1="C318" atomName2="H18Y"/>
<Bond atomName1="C318" atomName2="H18Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -82326,9 +81863,6 @@
<Bond atomName1="C318" atomName2="H18Y"/>
<Bond atomName1="C318" atomName2="H18Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -82591,9 +82125,6 @@
<Bond atomName1="C320" atomName2="H20X"/>
<Bond atomName1="C320" atomName2="H20Y"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -82868,9 +82399,6 @@
<Bond atomName1="C318" atomName2="H18Y"/>
<Bond atomName1="C318" atomName2="H18Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -83141,9 +82669,6 @@
<Bond atomName1="C318" atomName2="H18Y"/>
<Bond atomName1="C318" atomName2="H18Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -83410,9 +82935,6 @@
<Bond atomName1="C320" atomName2="H20X"/>
<Bond atomName1="C320" atomName2="H20Y"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -85084,23 +84606,15 @@
<ExternalBond atomName="C"/>
<AllowPatch name="NTER"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="NNEU"/>
<AllowPatch name="CTER"/>
<AllowPatch name="CNEU"/>
<AllowPatch name="CTP"/>
<AllowPatch name="CT1"/>
<AllowPatch name="CT2"/>
<AllowPatch name="CT3"/>
<AllowPatch name="MET1"/>
<AllowPatch name="OMEA"/>
<AllowPatch name="OMEB"/>
<AllowPatch name="FOMEA"/>
<AllowPatch name="FOMEB"/>
<AllowPatch name="OCTA"/>
<AllowPatch name="OCTB"/>
<AllowPatch name="DDMB"/>
</Residue>
<Residue name="GLYM">
......@@ -85202,15 +84716,9 @@
<Bond atomName1="C14" atomName2="H14B"/>
<Bond atomName1="C14" atomName2="H14C"/>
<ExternalBond atomName="C"/>
<AllowPatch name="GLYP"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="NGNE"/>
<AllowPatch name="CTER"/>
<AllowPatch name="CNEU"/>
<AllowPatch name="CTP"/>
<AllowPatch name="CT2"/>
<AllowPatch name="CT3"/>
<AllowPatch name="MET1"/>
......@@ -85318,13 +84826,9 @@
<ExternalBond atomName="C"/>
<AllowPatch name="NTER"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="NNEU"/>
<AllowPatch name="CTER"/>
<AllowPatch name="CNEU"/>
<AllowPatch name="CTP"/>
<AllowPatch name="CT1"/>
<AllowPatch name="CT2"/>
<AllowPatch name="CT3"/>
......@@ -85459,13 +84963,9 @@
<ExternalBond atomName="C"/>
<AllowPatch name="NTER"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="NNEU"/>
<AllowPatch name="CTER"/>
<AllowPatch name="CNEU"/>
<AllowPatch name="CTP"/>
<AllowPatch name="CT1"/>
<AllowPatch name="CT2"/>
<AllowPatch name="CT3"/>
......@@ -85802,13 +85302,9 @@
<ExternalBond atomName="C"/>
<AllowPatch name="NTER"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="NNEU"/>
<AllowPatch name="CTER"/>
<AllowPatch name="CNEU"/>
<AllowPatch name="CTP"/>
<AllowPatch name="CT1"/>
<AllowPatch name="CT2"/>
<AllowPatch name="CT3"/>
......@@ -86069,9 +85565,6 @@
<Bond atomName1="C4S" atomName2="C5S"/>
<Bond atomName1="C1F" atomName2="OF"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
</Residue>
<Residue name="SSM">
<Atom charge="-0.6" name="N" type="NTL"/>
......@@ -86340,9 +85833,6 @@
<Bond atomName1="C4S" atomName2="C5S"/>
<Bond atomName1="C1F" atomName2="OF"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
</Residue>
<Residue name="OSM">
<Atom charge="-0.6" name="N" type="NTL"/>
......@@ -86607,9 +86097,6 @@
<Bond atomName1="C9F" atomName2="C10F"/>
<Bond atomName1="C1F" atomName2="OF"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
</Residue>
<Residue name="ASM">
<Atom charge="-0.6" name="N" type="NTL"/>
......@@ -86890,9 +86377,6 @@
<Bond atomName1="C4S" atomName2="C5S"/>
<Bond atomName1="C1F" atomName2="OF"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
</Residue>
<Residue name="BSM">
<Atom charge="-0.6" name="N" type="NTL"/>
......@@ -87185,9 +86669,6 @@
<Bond atomName1="C4S" atomName2="C5S"/>
<Bond atomName1="C1F" atomName2="OF"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
</Residue>
<Residue name="23SM">
<Atom charge="-0.6" name="N" type="NTL"/>
......@@ -87486,9 +86967,6 @@
<Bond atomName1="C4S" atomName2="C5S"/>
<Bond atomName1="C1F" atomName2="OF"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
</Residue>
<Residue name="LSM">
<Atom charge="-0.6" name="N" type="NTL"/>
......@@ -87793,9 +87271,6 @@
<Bond atomName1="C4S" atomName2="C5S"/>
<Bond atomName1="C1F" atomName2="OF"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
</Residue>
<Residue name="NSM">
<Atom charge="-0.6" name="N" type="NTL"/>
......@@ -88096,9 +87571,6 @@
<Bond atomName1="C15F" atomName2="C16F"/>
<Bond atomName1="C1F" atomName2="OF"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
</Residue>
<Residue name="CER2">
<Atom charge="-0.69" name="O1" type="OHL"/>
......@@ -90247,9 +89719,6 @@
<Bond atomName1="C316" atomName2="H16Y"/>
<Bond atomName1="C316" atomName2="H16Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -90737,9 +90206,6 @@
<Bond atomName1="C316" atomName2="H16Y"/>
<Bond atomName1="C316" atomName2="H16Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -91008,9 +90474,6 @@
<Bond atomName1="C316" atomName2="H16Y"/>
<Bond atomName1="C316" atomName2="H16Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -91249,9 +90712,6 @@
<Bond atomName1="C316" atomName2="H16Y"/>
<Bond atomName1="C316" atomName2="H16Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -91502,9 +90962,6 @@
<Bond atomName1="C316" atomName2="H16Y"/>
<Bond atomName1="C316" atomName2="H16Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -91759,9 +91216,6 @@
<Bond atomName1="C316" atomName2="H16Y"/>
<Bond atomName1="C316" atomName2="H16Z"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="MET1"/>
<AllowPatch name="MET2"/>
</Residue>
......@@ -91826,7 +91280,6 @@
<Bond atomName1="NH2" atomName2="HH21"/>
<Bond atomName1="NH2" atomName2="HH22"/>
<Bond atomName1="CZ" atomName2="NH1"/>
<AllowPatch name="RN1"/>
</Residue>
<Residue name="MGUN">
<Atom charge="-0.03" name="CD" type="CT2"/>
......@@ -92029,7 +91482,6 @@
<Atom charge="-0.021" name="O" type="OM"/>
<AllowPatch name="CTER"/>
<AllowPatch name="CNEU"/>
<AllowPatch name="CTP"/>
</Residue>
<Residue name="ALY">
<Atom charge="-0.47" name="N" type="NH1"/>
......@@ -92086,7 +91538,6 @@
<ExternalBond atomName="C"/>
<AllowPatch name="CTER"/>
<AllowPatch name="CNEU"/>
<AllowPatch name="CTP"/>
<AllowPatch name="CT1"/>
</Residue>
<Residue name="DORN">
......@@ -92130,9 +91581,6 @@
<ExternalBond atomName="N"/>
<ExternalBond atomName="C"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="CTER"/>
</Residue>
<Residue name="NLE">
......@@ -92177,13 +91625,9 @@
<ExternalBond atomName="C"/>
<AllowPatch name="NTER"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="NNEU"/>
<AllowPatch name="CTER"/>
<AllowPatch name="CNEU"/>
<AllowPatch name="CTP"/>
<AllowPatch name="CT1"/>
<AllowPatch name="CT2"/>
<AllowPatch name="CT3"/>
......@@ -92270,15 +91714,10 @@
<ExternalBond atomName="N"/>
<ExternalBond atomName="C"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="CTER"/>
<AllowPatch name="CNEU"/>
<AllowPatch name="CTP"/>
<AllowPatch name="CT2"/>
<AllowPatch name="CT3"/>
<AllowPatch name="QCNT"/>
</Residue>
<Residue name="NMGLYD">
<Atom charge="-0.19" name="C1" type="CT3"/>
......@@ -92356,9 +91795,6 @@
<ExternalBond atomName="N"/>
<ExternalBond atomName="C"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
</Residue>
<Residue name="HYP">
<Atom charge="-0.29" name="N" type="N"/>
......@@ -92395,12 +91831,8 @@
<ExternalBond atomName="C"/>
<AllowPatch name="PROP"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="CTER"/>
<AllowPatch name="CNEU"/>
<AllowPatch name="CTP"/>
<AllowPatch name="CT2"/>
<AllowPatch name="CT3"/>
</Residue>
......@@ -92605,13 +92037,9 @@
<ExternalBond atomName="C"/>
<AllowPatch name="NTER"/>
<AllowPatch name="ACE"/>
<AllowPatch name="ACED"/>
<AllowPatch name="ACP"/>
<AllowPatch name="ACPD"/>
<AllowPatch name="NNEU"/>
<AllowPatch name="CTER"/>
<AllowPatch name="CNEU"/>
<AllowPatch name="CTP"/>
<AllowPatch name="CT1"/>
<AllowPatch name="CT2"/>
<AllowPatch name="CT3"/>
......@@ -93419,21 +92847,6 @@
<RemoveBond atomName1="N" atomName2="HN"/>
<RemoveExternalBond atomName="N"/>
</Patch>
<Patch name="GLYP">
<ChangeAtom charge="-0.3" name="N" type="NH3"/>
<AddAtom charge="0.33" name="HT1" type="HC"/>
<AddAtom charge="0.33" name="HT2" type="HC"/>
<AddAtom charge="0.33" name="HT3" type="HC"/>
<ChangeAtom charge="0.13" name="CA" type="CT2"/>
<ChangeAtom charge="0.09" name="HA1" type="HB2"/>
<ChangeAtom charge="0.09" name="HA2" type="HB2"/>
<RemoveAtom name="HN"/>
<AddBond atomName1="HT1" atomName2="N"/>
<AddBond atomName1="HT2" atomName2="N"/>
<AddBond atomName1="HT3" atomName2="N"/>
<RemoveBond atomName1="N" atomName2="HN"/>
<RemoveExternalBond atomName="N"/>
</Patch>
<Patch name="PROP">
<ChangeAtom charge="-0.07" name="N" type="NP"/>
<AddAtom charge="0.24" name="HN1" type="HC"/>
......@@ -93462,51 +92875,6 @@
<AddBond atomName1="OY" atomName2="CY"/>
<RemoveExternalBond atomName="N"/>
</Patch>
<Patch name="ACED">
<AddAtom charge="-0.27" name="CAY" type="CT3"/>
<AddAtom charge="0.09" name="HY1" type="HA3"/>
<AddAtom charge="0.09" name="HY2" type="HA3"/>
<AddAtom charge="0.09" name="HY3" type="HA3"/>
<AddAtom charge="0.51" name="CY" type="C"/>
<AddAtom charge="-0.51" name="OY" type="O"/>
<AddBond atomName1="CY" atomName2="CAY"/>
<AddBond atomName1="CY" atomName2="N"/>
<AddBond atomName1="CAY" atomName2="HY1"/>
<AddBond atomName1="CAY" atomName2="HY2"/>
<AddBond atomName1="CAY" atomName2="HY3"/>
<AddBond atomName1="OY" atomName2="CY"/>
<RemoveExternalBond atomName="N"/>
</Patch>
<Patch name="ACP">
<AddAtom charge="-0.27" name="CAY" type="CT3"/>
<AddAtom charge="0.09" name="HY1" type="HA3"/>
<AddAtom charge="0.09" name="HY2" type="HA3"/>
<AddAtom charge="0.09" name="HY3" type="HA3"/>
<AddAtom charge="0.51" name="CY" type="C"/>
<AddAtom charge="-0.51" name="OY" type="O"/>
<AddBond atomName1="CY" atomName2="CAY"/>
<AddBond atomName1="CY" atomName2="N"/>
<AddBond atomName1="CAY" atomName2="HY1"/>
<AddBond atomName1="CAY" atomName2="HY2"/>
<AddBond atomName1="CAY" atomName2="HY3"/>
<AddBond atomName1="OY" atomName2="CY"/>
<RemoveExternalBond atomName="N"/>
</Patch>
<Patch name="ACPD">
<AddAtom charge="-0.27" name="CAY" type="CT3"/>
<AddAtom charge="0.09" name="HY1" type="HA3"/>
<AddAtom charge="0.09" name="HY2" type="HA3"/>
<AddAtom charge="0.09" name="HY3" type="HA3"/>
<AddAtom charge="0.51" name="CY" type="C"/>
<AddAtom charge="-0.51" name="OY" type="O"/>
<AddBond atomName1="CY" atomName2="CAY"/>
<AddBond atomName1="CY" atomName2="N"/>
<AddBond atomName1="CAY" atomName2="HY1"/>
<AddBond atomName1="CAY" atomName2="HY2"/>
<AddBond atomName1="CAY" atomName2="HY3"/>
<AddBond atomName1="OY" atomName2="CY"/>
<RemoveExternalBond atomName="N"/>
</Patch>
<Patch name="NNEU">
<ChangeAtom charge="-0.96" name="N" type="NH2"/>
<AddAtom charge="0.34" name="HT1" type="H"/>
......@@ -93519,19 +92887,6 @@
<RemoveBond atomName1="N" atomName2="HN"/>
<RemoveExternalBond atomName="N"/>
</Patch>
<Patch name="NGNE">
<ChangeAtom charge="-0.96" name="N" type="NH2"/>
<AddAtom charge="0.34" name="HT1" type="H"/>
<AddAtom charge="0.34" name="HT2" type="H"/>
<ChangeAtom charge="0.1" name="CA" type="CT2"/>
<ChangeAtom charge="0.09" name="HA1" type="HB2"/>
<ChangeAtom charge="0.09" name="HA2" type="HB2"/>
<RemoveAtom name="HN"/>
<AddBond atomName1="HT1" atomName2="N"/>
<AddBond atomName1="HT2" atomName2="N"/>
<RemoveBond atomName1="N" atomName2="HN"/>
<RemoveExternalBond atomName="N"/>
</Patch>
<Patch name="CTER">
<ChangeAtom charge="0.34" name="C" type="CC"/>
<AddAtom charge="-0.67" name="OT1" type="OC"/>
......@@ -93554,18 +92909,6 @@
<RemoveBond atomName1="O" atomName2="C"/>
<RemoveExternalBond atomName="C"/>
</Patch>
<Patch name="CTP">
<ChangeAtom charge="0.72" name="C" type="CD"/>
<AddAtom charge="-0.55" name="OT1" type="OB"/>
<AddAtom charge="-0.61" name="OT2" type="OH1"/>
<AddAtom charge="0.44" name="HT2" type="H"/>
<RemoveAtom name="O"/>
<AddBond atomName1="C" atomName2="OT2"/>
<AddBond atomName1="OT2" atomName2="HT2"/>
<AddBond atomName1="C" atomName2="OT1"/>
<RemoveBond atomName1="O" atomName2="C"/>
<RemoveExternalBond atomName="C"/>
</Patch>
<Patch name="CT1">
<ChangeAtom charge="-0.47" name="N" type="NH1"/>
<ChangeAtom charge="0.31" name="HN" type="H"/>
......@@ -93654,14 +92997,6 @@
<RemoveAtom name="HG1"/>
<RemoveBond atomName1="SG" atomName2="HG1"/>
</Patch>
<Patch name="SERD">
<ChangeAtom charge="-0.3" name="CB" type="CT2"/>
<ChangeAtom charge="0.11" name="HB1" type="HA2"/>
<ChangeAtom charge="0.11" name="HB2" type="HA2"/>
<ChangeAtom charge="-0.92" name="OG" type="OC"/>
<RemoveAtom name="HG1"/>
<RemoveBond atomName1="OG" atomName2="HG1"/>
</Patch>
<Patch name="HS2">
<ChangeAtom charge="0.25" name="CE1" type="CPH2"/>
<ChangeAtom charge="0.13" name="HE1" type="HR1"/>
......@@ -93691,20 +93026,6 @@
<RemoveBond atomName1="C2'" atomName2="O2'"/>
<RemoveBond atomName1="O2'" atomName2="H2'"/>
</Patch>
<Patch name="DEOX">
<ChangeAtom charge="1.5" name="P" type="P2"/>
<ChangeAtom charge="0.16" name="C4'" type="CN7"/>
<ChangeAtom charge="0.09" name="H4'" type="HN7"/>
<ChangeAtom charge="-0.5" name="O4'" type="ON6"/>
<ChangeAtom charge="0.16" name="C1'" type="CN7B"/>
<ChangeAtom charge="0.09" name="H1'" type="HN7"/>
<ChangeAtom charge="-0.18" name="C2'" type="CN8"/>
<ChangeAtom charge="0.09" name="H2'" type="HN8"/>
<ChangeAtom charge="0.09" name="H2''" type="HN8"/>
<RemoveAtom name="O2'"/>
<RemoveBond atomName1="C2'" atomName2="O2'"/>
<RemoveBond atomName1="O2'" atomName2="H2'"/>
</Patch>
<Patch name="3TER">
<ChangeAtom charge="0.14" name="C3'" type="CN7"/>
<ChangeAtom charge="0.09" name="H3'" type="HN7"/>
......@@ -93917,49 +93238,6 @@
<AddBond atomName1="CG6" atomName2="CG1"/>
<RemoveBond atomName1="NT" atomName2="HT2"/>
</Patch>
<Patch name="G3PS">
<ChangeAtom charge="0.51" name="CG" type="CG2O1"/>
<ChangeAtom charge="-0.51" name="OG" type="OG2D1"/>
<ChangeAtom charge="-0.47" name="NT" type="NG2S1"/>
<ChangeAtom charge="0.47" name="HT1" type="HGP1"/>
<AddAtom charge="-0.09" name="CG1" type="CG311"/>
<AddAtom charge="0.09" name="HG1" type="HGA1"/>
<AddAtom charge="0.2" name="CG2" type="CG324"/>
<AddAtom charge="0.09" name="HG21" type="HGA2"/>
<AddAtom charge="0.09" name="HG22" type="HGA2"/>
<AddAtom charge="-0.4" name="NG3" type="NG3P2"/>
<AddAtom charge="0.32" name="HG31" type="HGP2"/>
<AddAtom charge="0.32" name="HG32" type="HGP2"/>
<AddAtom charge="0.2" name="CG4" type="CG324"/>
<AddAtom charge="0.09" name="HG41" type="HGA2"/>
<AddAtom charge="0.09" name="HG42" type="HGA2"/>
<AddAtom charge="-0.18" name="CG5" type="CG321"/>
<AddAtom charge="0.09" name="HG51" type="HGA2"/>
<AddAtom charge="0.09" name="HG52" type="HGA2"/>
<AddAtom charge="-0.18" name="CG6" type="CG321"/>
<AddAtom charge="0.09" name="HG61" type="HGA2"/>
<AddAtom charge="0.09" name="HG62" type="HGA2"/>
<RemoveAtom name="HT2"/>
<AddBond atomName1="NT" atomName2="CG1"/>
<AddBond atomName1="CG1" atomName2="HG1"/>
<AddBond atomName1="CG1" atomName2="CG2"/>
<AddBond atomName1="CG2" atomName2="HG21"/>
<AddBond atomName1="CG2" atomName2="HG22"/>
<AddBond atomName1="CG2" atomName2="NG3"/>
<AddBond atomName1="NG3" atomName2="HG31"/>
<AddBond atomName1="NG3" atomName2="HG32"/>
<AddBond atomName1="NG3" atomName2="CG4"/>
<AddBond atomName1="CG4" atomName2="HG41"/>
<AddBond atomName1="CG4" atomName2="HG42"/>
<AddBond atomName1="CG4" atomName2="CG5"/>
<AddBond atomName1="CG5" atomName2="HG51"/>
<AddBond atomName1="CG5" atomName2="HG52"/>
<AddBond atomName1="CG5" atomName2="CG6"/>
<AddBond atomName1="CG6" atomName2="HG61"/>
<AddBond atomName1="CG6" atomName2="HG62"/>
<AddBond atomName1="CG6" atomName2="CG1"/>
<RemoveBond atomName1="NT" atomName2="HT2"/>
</Patch>
<Patch name="FBIA">
<AddAtom charge="-0.27" name="CM" type="CG331"/>
<AddAtom charge="0.09" name="HM1" type="HGA3"/>
......@@ -94665,92 +93943,6 @@
<RemoveBond atomName1="CZ" atomName2="OH"/>
<RemoveBond atomName1="OH" atomName2="HH"/>
</Patch>
<Patch name="FBIFS">
<AddAtom charge="0.0" name="HE2" type="HGR61"/>
<AddAtom charge="-0.19" name="CBG" type="CG311"/>
<AddAtom charge="0.09" name="HBG" type="HGA1"/>
<AddAtom charge="-0.27" name="CMG" type="CG331"/>
<AddAtom charge="0.09" name="HMG1" type="HGA3"/>
<AddAtom charge="0.09" name="HMG2" type="HGA3"/>
<AddAtom charge="0.09" name="HMG3" type="HGA3"/>
<AddAtom charge="0.0" name="CZM" type="CG2R61"/>
<AddAtom charge="-0.18" name="CM1" type="CG321"/>
<AddAtom charge="0.09" name="HM1A" type="HGA2"/>
<AddAtom charge="0.09" name="HM1B" type="HGA2"/>
<AddAtom charge="-0.09" name="CM2" type="CG311"/>
<AddAtom charge="0.09" name="HM2" type="HGA1"/>
<AddAtom charge="-0.27" name="CN1" type="CG331"/>
<AddAtom charge="0.09" name="HN1A" type="HGA3"/>
<AddAtom charge="0.09" name="HN1B" type="HGA3"/>
<AddAtom charge="0.09" name="HN1C" type="HGA3"/>
<AddAtom charge="-0.27" name="CN2" type="CG331"/>
<AddAtom charge="0.09" name="HN2A" type="HGA3"/>
<AddAtom charge="0.09" name="HN2B" type="HGA3"/>
<AddAtom charge="0.09" name="HN2C" type="HGA3"/>
<RemoveAtom name="CA"/>
<RemoveAtom name="HA1"/>
<RemoveAtom name="HA2"/>
<RemoveAtom name="CB"/>
<RemoveAtom name="HB1"/>
<RemoveAtom name="HB2"/>
<RemoveAtom name="CC"/>
<RemoveAtom name="HC"/>
<RemoveAtom name="C1"/>
<RemoveAtom name="H1A"/>
<RemoveAtom name="H1B"/>
<RemoveAtom name="H1C"/>
<RemoveAtom name="C2"/>
<RemoveAtom name="H2A"/>
<RemoveAtom name="H2B"/>
<RemoveAtom name="H2C"/>
<RemoveAtom name="CZ"/>
<RemoveAtom name="OH"/>
<RemoveAtom name="HH"/>
<AddBond atomName1="CE2" atomName2="HE2"/>
<AddBond atomName1="CG" atomName2="CBG"/>
<AddBond atomName1="CBG" atomName2="HBG"/>
<AddBond atomName1="CBG" atomName2="CD"/>
<AddBond atomName1="CBG" atomName2="CMG"/>
<AddBond atomName1="CMG" atomName2="HMG1"/>
<AddBond atomName1="CMG" atomName2="HMG2"/>
<AddBond atomName1="CMG" atomName2="HMG3"/>
<AddBond atomName1="CE1" atomName2="CZM"/>
<AddBond atomName1="CE2" atomName2="CZM"/>
<AddBond atomName1="CZM" atomName2="CM1"/>
<AddBond atomName1="CM1" atomName2="HM1A"/>
<AddBond atomName1="CM1" atomName2="HM1B"/>
<AddBond atomName1="CM1" atomName2="CM2"/>
<AddBond atomName1="CM2" atomName2="HM2"/>
<AddBond atomName1="CM2" atomName2="CN1"/>
<AddBond atomName1="CN1" atomName2="HN1A"/>
<AddBond atomName1="CN1" atomName2="HN1B"/>
<AddBond atomName1="CN1" atomName2="HN1C"/>
<AddBond atomName1="CM2" atomName2="CN2"/>
<AddBond atomName1="CN2" atomName2="HN2A"/>
<AddBond atomName1="CN2" atomName2="HN2B"/>
<AddBond atomName1="CN2" atomName2="HN2C"/>
<RemoveBond atomName1="CE1" atomName2="CZ"/>
<RemoveBond atomName1="CE2" atomName2="CC"/>
<RemoveBond atomName1="CE2" atomName2="CZ"/>
<RemoveBond atomName1="CG" atomName2="CB"/>
<RemoveBond atomName1="CB" atomName2="HB1"/>
<RemoveBond atomName1="CB" atomName2="HB2"/>
<RemoveBond atomName1="CB" atomName2="CA"/>
<RemoveBond atomName1="CA" atomName2="HA1"/>
<RemoveBond atomName1="CA" atomName2="HA2"/>
<RemoveBond atomName1="CA" atomName2="CD"/>
<RemoveBond atomName1="CC" atomName2="HC"/>
<RemoveBond atomName1="CC" atomName2="C1"/>
<RemoveBond atomName1="CC" atomName2="C2"/>
<RemoveBond atomName1="C1" atomName2="H1A"/>
<RemoveBond atomName1="C1" atomName2="H1B"/>
<RemoveBond atomName1="C1" atomName2="H1C"/>
<RemoveBond atomName1="C2" atomName2="H2A"/>
<RemoveBond atomName1="C2" atomName2="H2B"/>
<RemoveBond atomName1="C2" atomName2="H2C"/>
<RemoveBond atomName1="CZ" atomName2="OH"/>
<RemoveBond atomName1="OH" atomName2="HH"/>
</Patch>
<Patch name="3POMP">
<ChangeAtom charge="-0.12" name="C3" type="CG3C51"/>
<ChangeAtom charge="0.09" name="H32" type="HGA1"/>
......@@ -94788,104 +93980,6 @@
<AddBond atomName1="C6B" atomName2="C1B"/>
<RemoveBond atomName1="C3" atomName2="H31"/>
</Patch>
<Patch name="3MPR">
<ChangeAtom charge="0.51" name="CG" type="CG2O1"/>
<ChangeAtom charge="-0.51" name="OG" type="OG2D1"/>
<ChangeAtom charge="-0.47" name="NT" type="NG2S1"/>
<ChangeAtom charge="0.47" name="HT1" type="HGP1"/>
<AddAtom charge="-0.18" name="CGT" type="CG321"/>
<AddAtom charge="0.09" name="HGT1" type="HGA2"/>
<AddAtom charge="0.09" name="HGT2" type="HGA2"/>
<AddAtom charge="-0.09" name="CG1" type="CG311"/>
<AddAtom charge="0.09" name="HG1" type="HGA1"/>
<AddAtom charge="0.2" name="CG2" type="CG324"/>
<AddAtom charge="0.09" name="HG21" type="HGA2"/>
<AddAtom charge="0.09" name="HG22" type="HGA2"/>
<AddAtom charge="-0.4" name="NG3" type="NG3P2"/>
<AddAtom charge="0.32" name="HG31" type="HGP2"/>
<AddAtom charge="0.32" name="HG32" type="HGP2"/>
<AddAtom charge="0.2" name="CG4" type="CG324"/>
<AddAtom charge="0.09" name="HG41" type="HGA2"/>
<AddAtom charge="0.09" name="HG42" type="HGA2"/>
<AddAtom charge="-0.18" name="CG5" type="CG321"/>
<AddAtom charge="0.09" name="HG51" type="HGA2"/>
<AddAtom charge="0.09" name="HG52" type="HGA2"/>
<AddAtom charge="-0.18" name="CG6" type="CG321"/>
<AddAtom charge="0.09" name="HG61" type="HGA2"/>
<AddAtom charge="0.09" name="HG62" type="HGA2"/>
<RemoveAtom name="HT2"/>
<AddBond atomName1="NT" atomName2="CGT"/>
<AddBond atomName1="CGT" atomName2="HGT1"/>
<AddBond atomName1="CGT" atomName2="HGT2"/>
<AddBond atomName1="CGT" atomName2="CG1"/>
<AddBond atomName1="CG1" atomName2="HG1"/>
<AddBond atomName1="CG1" atomName2="CG2"/>
<AddBond atomName1="CG2" atomName2="HG21"/>
<AddBond atomName1="CG2" atomName2="HG22"/>
<AddBond atomName1="CG2" atomName2="NG3"/>
<AddBond atomName1="NG3" atomName2="HG31"/>
<AddBond atomName1="NG3" atomName2="HG32"/>
<AddBond atomName1="NG3" atomName2="CG4"/>
<AddBond atomName1="CG4" atomName2="HG41"/>
<AddBond atomName1="CG4" atomName2="HG42"/>
<AddBond atomName1="CG4" atomName2="CG5"/>
<AddBond atomName1="CG5" atomName2="HG51"/>
<AddBond atomName1="CG5" atomName2="HG52"/>
<AddBond atomName1="CG5" atomName2="CG6"/>
<AddBond atomName1="CG6" atomName2="HG61"/>
<AddBond atomName1="CG6" atomName2="HG62"/>
<AddBond atomName1="CG6" atomName2="CG1"/>
<RemoveBond atomName1="NT" atomName2="HT2"/>
</Patch>
<Patch name="2MPS">
<ChangeAtom charge="0.51" name="CG" type="CG2O1"/>
<ChangeAtom charge="-0.51" name="OG" type="OG2D1"/>
<ChangeAtom charge="-0.47" name="NT" type="NG2S1"/>
<ChangeAtom charge="0.47" name="HT1" type="HGP1"/>
<AddAtom charge="-0.18" name="CGT" type="CG321"/>
<AddAtom charge="0.09" name="HGT1" type="HGA2"/>
<AddAtom charge="0.09" name="HGT2" type="HGA2"/>
<AddAtom charge="0.29" name="CG1" type="CG314"/>
<AddAtom charge="0.09" name="HG1" type="HGA1"/>
<AddAtom charge="-0.4" name="NG2" type="NG3P2"/>
<AddAtom charge="0.32" name="HG21" type="HGP2"/>
<AddAtom charge="0.32" name="HG22" type="HGP2"/>
<AddAtom charge="0.2" name="CG3" type="CG324"/>
<AddAtom charge="0.09" name="HG31" type="HGA2"/>
<AddAtom charge="0.09" name="HG32" type="HGA2"/>
<AddAtom charge="-0.18" name="CG4" type="CG321"/>
<AddAtom charge="0.09" name="HG41" type="HGA2"/>
<AddAtom charge="0.09" name="HG42" type="HGA2"/>
<AddAtom charge="-0.18" name="CG5" type="CG321"/>
<AddAtom charge="0.09" name="HG51" type="HGA2"/>
<AddAtom charge="0.09" name="HG52" type="HGA2"/>
<AddAtom charge="-0.18" name="CG6" type="CG321"/>
<AddAtom charge="0.09" name="HG61" type="HGA2"/>
<AddAtom charge="0.09" name="HG62" type="HGA2"/>
<RemoveAtom name="HT2"/>
<AddBond atomName1="NT" atomName2="CGT"/>
<AddBond atomName1="CGT" atomName2="HGT1"/>
<AddBond atomName1="CGT" atomName2="HGT2"/>
<AddBond atomName1="CGT" atomName2="CG1"/>
<AddBond atomName1="CG1" atomName2="HG1"/>
<AddBond atomName1="CG1" atomName2="NG2"/>
<AddBond atomName1="NG2" atomName2="HG21"/>
<AddBond atomName1="NG2" atomName2="HG22"/>
<AddBond atomName1="NG2" atomName2="CG3"/>
<AddBond atomName1="CG3" atomName2="HG31"/>
<AddBond atomName1="CG3" atomName2="HG32"/>
<AddBond atomName1="CG3" atomName2="CG4"/>
<AddBond atomName1="CG4" atomName2="HG41"/>
<AddBond atomName1="CG4" atomName2="HG42"/>
<AddBond atomName1="CG4" atomName2="CG5"/>
<AddBond atomName1="CG5" atomName2="HG51"/>
<AddBond atomName1="CG5" atomName2="HG52"/>
<AddBond atomName1="CG5" atomName2="CG6"/>
<AddBond atomName1="CG6" atomName2="HG61"/>
<AddBond atomName1="CG6" atomName2="HG62"/>
<AddBond atomName1="CG6" atomName2="CG1"/>
<RemoveBond atomName1="NT" atomName2="HT2"/>
</Patch>
<Patch name="3A2MPD">
<ChangeAtom charge="-0.18" name="CC3" type="CG321"/>
<ChangeAtom charge="0.09" name="HC3A" type="HGA2"/>
......@@ -95683,42 +94777,6 @@
<AddBond atomName1="CM" atomName2="HM2"/>
<AddBond atomName1="CM" atomName2="HM3"/>
</Patch>
<Patch name="OMEB">
<ChangeAtom charge="0.29" name="C1" type="CC3162"/>
<ChangeAtom charge="-0.36" name="O1" type="OC301"/>
<AddAtom charge="-0.09" name="CM" type="CC331"/>
<AddAtom charge="0.09" name="HM1" type="HCA3"/>
<AddAtom charge="0.09" name="HM2" type="HCA3"/>
<AddAtom charge="0.09" name="HM3" type="HCA3"/>
<AddBond atomName1="O1" atomName2="CM"/>
<AddBond atomName1="CM" atomName2="HM1"/>
<AddBond atomName1="CM" atomName2="HM2"/>
<AddBond atomName1="CM" atomName2="HM3"/>
</Patch>
<Patch name="FOMEA">
<ChangeAtom charge="0.29" name="C1" type="CC3152"/>
<ChangeAtom charge="-0.36" name="O1" type="OC301"/>
<AddAtom charge="-0.09" name="CM" type="CC331"/>
<AddAtom charge="0.09" name="HM1" type="HCA3"/>
<AddAtom charge="0.09" name="HM2" type="HCA3"/>
<AddAtom charge="0.09" name="HM3" type="HCA3"/>
<AddBond atomName1="O1" atomName2="CM"/>
<AddBond atomName1="CM" atomName2="HM1"/>
<AddBond atomName1="CM" atomName2="HM2"/>
<AddBond atomName1="CM" atomName2="HM3"/>
</Patch>
<Patch name="FOMEB">
<ChangeAtom charge="0.29" name="C1" type="CC3152"/>
<ChangeAtom charge="-0.36" name="O1" type="OC301"/>
<AddAtom charge="-0.09" name="CM" type="CC331"/>
<AddAtom charge="0.09" name="HM1" type="HCA3"/>
<AddAtom charge="0.09" name="HM2" type="HCA3"/>
<AddAtom charge="0.09" name="HM3" type="HCA3"/>
<AddBond atomName1="O1" atomName2="CM"/>
<AddBond atomName1="CM" atomName2="HM1"/>
<AddBond atomName1="CM" atomName2="HM2"/>
<AddBond atomName1="CM" atomName2="HM3"/>
</Patch>
<Patch name="I3P1">
<ChangeAtom charge="0.01" name="C13" type="CC3161"/>
<ChangeAtom charge="0.09" name="H3" type="HCA1"/>
......@@ -95792,19 +94850,6 @@
<AddBond atomName1="OS33" atomName2="S3"/>
<AddBond atomName1="OS34" atomName2="S3"/>
</Patch>
<Patch name="SUF3B">
<ChangeAtom charge="-0.19" name="C3" type="CC3161"/>
<ChangeAtom charge="0.09" name="H3" type="HCA1"/>
<ChangeAtom charge="-0.28" name="O3" type="OC30P"/>
<AddAtom charge="1.33" name="S3" type="SC"/>
<AddAtom charge="-0.65" name="OS32" type="OC2DP"/>
<AddAtom charge="-0.65" name="OS33" type="OC2DP"/>
<AddAtom charge="-0.65" name="OS34" type="OC2DP"/>
<AddBond atomName1="O3" atomName2="S3"/>
<AddBond atomName1="OS32" atomName2="S3"/>
<AddBond atomName1="OS33" atomName2="S3"/>
<AddBond atomName1="OS34" atomName2="S3"/>
</Patch>
<Patch name="OB2AC">
<ChangeAtom charge="0.17" name="C2" type="CC3161"/>
<ChangeAtom charge="-0.49" name="O2" type="OC301"/>
......@@ -95823,24 +94868,6 @@
<AddBond atomName1="CB2" atomName2="HB3"/>
<RemoveBond atomName1="O2" atomName2="HO2"/>
</Patch>
<Patch name="OR2AC">
<ChangeAtom charge="0.17" name="C2" type="CC3161"/>
<ChangeAtom charge="-0.49" name="O2" type="OC301"/>
<AddAtom charge="0.9" name="CA2" type="CC2O5"/>
<AddAtom charge="-0.63" name="OA2" type="OC2D1"/>
<AddAtom charge="-0.31" name="CB2" type="CC331"/>
<AddAtom charge="0.09" name="HB1" type="HCA3"/>
<AddAtom charge="0.09" name="HB2" type="HCA3"/>
<AddAtom charge="0.09" name="HB3" type="HCA3"/>
<RemoveAtom name="HO2"/>
<AddBond atomName1="O2" atomName2="CA2"/>
<AddBond atomName1="CA2" atomName2="OA2"/>
<AddBond atomName1="CA2" atomName2="CB2"/>
<AddBond atomName1="CB2" atomName2="HB1"/>
<AddBond atomName1="CB2" atomName2="HB2"/>
<AddBond atomName1="CB2" atomName2="HB3"/>
<RemoveBond atomName1="O2" atomName2="HO2"/>
</Patch>
<Patch name="OCTA">
<ChangeAtom charge="0.29" name="C1" type="CC3162"/>
<ChangeAtom charge="-0.36" name="O1" type="OC301"/>
......@@ -95895,60 +94922,6 @@
<AddBond atomName1="C8P" atomName2="H8P2"/>
<AddBond atomName1="C8P" atomName2="H8P3"/>
</Patch>
<Patch name="OCTB">
<ChangeAtom charge="0.29" name="C1" type="CC3162"/>
<ChangeAtom charge="-0.36" name="O1" type="OC301"/>
<AddAtom charge="0.0" name="C1P" type="CTL2"/>
<AddAtom charge="0.09" name="H1P1" type="HAL2"/>
<AddAtom charge="0.09" name="H1P2" type="HAL2"/>
<AddAtom charge="-0.18" name="C2P" type="CTL2"/>
<AddAtom charge="0.09" name="H2P1" type="HAL2"/>
<AddAtom charge="0.09" name="H2P2" type="HAL2"/>
<AddAtom charge="-0.18" name="C3P" type="CTL2"/>
<AddAtom charge="0.09" name="H3P1" type="HAL2"/>
<AddAtom charge="0.09" name="H3P2" type="HAL2"/>
<AddAtom charge="-0.18" name="C4P" type="CTL2"/>
<AddAtom charge="0.09" name="H4P1" type="HAL2"/>
<AddAtom charge="0.09" name="H4P2" type="HAL2"/>
<AddAtom charge="-0.18" name="C5P" type="CTL2"/>
<AddAtom charge="0.09" name="H5P1" type="HAL2"/>
<AddAtom charge="0.09" name="H5P2" type="HAL2"/>
<AddAtom charge="-0.18" name="C6P" type="CTL2"/>
<AddAtom charge="0.09" name="H6P1" type="HAL2"/>
<AddAtom charge="0.09" name="H6P2" type="HAL2"/>
<AddAtom charge="-0.18" name="C7P" type="CTL2"/>
<AddAtom charge="0.09" name="H7P1" type="HAL2"/>
<AddAtom charge="0.09" name="H7P2" type="HAL2"/>
<AddAtom charge="-0.27" name="C8P" type="CTL3"/>
<AddAtom charge="0.09" name="H8P1" type="HAL3"/>
<AddAtom charge="0.09" name="H8P2" type="HAL3"/>
<AddAtom charge="0.09" name="H8P3" type="HAL3"/>
<AddBond atomName1="O1" atomName2="C1P"/>
<AddBond atomName1="C1P" atomName2="C2P"/>
<AddBond atomName1="C2P" atomName2="C3P"/>
<AddBond atomName1="C3P" atomName2="C4P"/>
<AddBond atomName1="C4P" atomName2="C5P"/>
<AddBond atomName1="C5P" atomName2="C6P"/>
<AddBond atomName1="C6P" atomName2="C7P"/>
<AddBond atomName1="C7P" atomName2="C8P"/>
<AddBond atomName1="C1P" atomName2="H1P1"/>
<AddBond atomName1="C1P" atomName2="H1P2"/>
<AddBond atomName1="C2P" atomName2="H2P1"/>
<AddBond atomName1="C2P" atomName2="H2P2"/>
<AddBond atomName1="C3P" atomName2="H3P1"/>
<AddBond atomName1="C3P" atomName2="H3P2"/>
<AddBond atomName1="C4P" atomName2="H4P1"/>
<AddBond atomName1="C4P" atomName2="H4P2"/>
<AddBond atomName1="C5P" atomName2="H5P1"/>
<AddBond atomName1="C5P" atomName2="H5P2"/>
<AddBond atomName1="C6P" atomName2="H6P1"/>
<AddBond atomName1="C6P" atomName2="H6P2"/>
<AddBond atomName1="C7P" atomName2="H7P1"/>
<AddBond atomName1="C7P" atomName2="H7P2"/>
<AddBond atomName1="C8P" atomName2="H8P1"/>
<AddBond atomName1="C8P" atomName2="H8P2"/>
<AddBond atomName1="C8P" atomName2="H8P3"/>
</Patch>
<Patch name="DDMB">
<ChangeAtom charge="0.29" name="C1" type="CC3162"/>
<ChangeAtom charge="-0.36" name="O1" type="OC301"/>
......@@ -96027,19 +95000,6 @@
<AddBond atomName1="C12P" atomName2="H12P2"/>
<AddBond atomName1="C12P" atomName2="H12P3"/>
</Patch>
<Patch name="RN1">
<ChangeAtom charge="0.06" name="CD" type="CT2"/>
<ChangeAtom charge="0.09" name="HD1" type="HA2"/>
<ChangeAtom charge="0.09" name="HD2" type="HA2"/>
<ChangeAtom charge="-0.86" name="NE" type="NRC4"/>
<ChangeAtom charge="0.66" name="CZ" type="CRN1"/>
<ChangeAtom charge="-0.6" name="NH1" type="NRN2"/>
<ChangeAtom charge="0.29" name="HH11" type="HRM2"/>
<ChangeAtom charge="0.29" name="HH12" type="HRM2"/>
<ChangeAtom charge="-0.6" name="NH2" type="NRN2"/>
<ChangeAtom charge="0.29" name="HH21" type="HRM2"/>
<ChangeAtom charge="0.29" name="HH22" type="HRM2"/>
</Patch>
<Patch name="KAC">
<ChangeAtom charge="-0.02" name="CE" type="CT2"/>
<ChangeAtom charge="0.09" name="HE1" type="HA2"/>
......@@ -96063,27 +95023,6 @@
<RemoveBond atomName1="NZ" atomName2="HZ2"/>
<RemoveBond atomName1="NZ" atomName2="HZ3"/>
</Patch>
<Patch name="QCNT">
<ChangeAtom charge="-0.3" name="N" type="NH3"/>
<AddAtom charge="0.33" name="HT1" type="HC"/>
<AddAtom charge="0.33" name="HT2" type="HC"/>
<AddAtom charge="0.33" name="HT3" type="HC"/>
<ChangeAtom charge="0.31" name="CA" type="CT"/>
<RemoveAtom name="HN"/>
<AddBond atomName1="HT1" atomName2="N"/>
<AddBond atomName1="HT2" atomName2="N"/>
<AddBond atomName1="HT3" atomName2="N"/>
<RemoveBond atomName1="N" atomName2="HN"/>
<RemoveExternalBond atomName="N"/>
</Patch>
<Patch name="CSN">
<ChangeAtom charge="-0.38" name="CB" type="CS"/>
<ChangeAtom charge="0.09" name="HB1" type="HA2"/>
<ChangeAtom charge="0.09" name="HB2" type="HA2"/>
<ChangeAtom charge="-0.8" name="SG" type="SS"/>
<RemoveAtom name="HG1"/>
<RemoveBond atomName1="SG" atomName2="HG1"/>
</Patch>
<Patch name="TP1">
<ChangeAtom charge="-0.21" name="CE1" type="CA"/>
<ChangeAtom charge="0.21" name="HE1" type="HP"/>
......@@ -96351,7 +95290,7 @@
<ApplyToResidue name="1:CYS"/>
<ApplyToResidue name="2:CYS"/>
</Patch>
</Patches>
</Patches>
<HarmonicBondForce>
<Bond k="200831.99999999997" length="0.14550000000000002" type1="NH2" type2="CT1"/>
<Bond k="255223.99999999994" length="0.1375" type1="CA" type2="CAI"/>
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