| <ForceField> |
| <Info> |
| <DateGenerated>2021-01-26</DateGenerated> |
| <Source Source="leaprc.protein.ff14SBonlysc" md5hash="90a6e56450fc04da9136e90e25d04cf5" sourcePackage="AmberTools" sourcePackageVersion="20.15">leaprc.protein.ff14SBonlysc</Source> |
| <Reference>Maier, J.A., Martinez, C., Kasavajhala, K., Wickstrom, L., Hauser, K.E., and Simmerling, C. (2015). ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB. J. Chem. Theory Comput. 11, 3696-3713.</Reference> |
| <Reference>Hornak, V., Abel, R., Okur, A., Strockbine, B., Roitberg, A., and Simmerling, C. (2006). Comparison of multiple Amber force fields and development of improved protein backbone parameters. Proteins 65, 712-725.</Reference> |
| </Info> |
| <AtomTypes> |
| <Type element="C" name="protein-C" class="C" mass="12.01"/> |
| <Type element="C" name="protein-CA" class="CA" mass="12.01"/> |
| <Type element="C" name="protein-CB" class="CB" mass="12.01"/> |
| <Type element="C" name="protein-CC" class="CC" mass="12.01"/> |
| <Type element="C" name="protein-CN" class="CN" mass="12.01"/> |
| <Type element="C" name="protein-CR" class="CR" mass="12.01"/> |
| <Type element="C" name="protein-CT" class="CT" mass="12.01"/> |
| <Type element="C" name="protein-CV" class="CV" mass="12.01"/> |
| <Type element="C" name="protein-CW" class="CW" mass="12.01"/> |
| <Type element="C" name="protein-C*" class="C*" mass="12.01"/> |
| <Type element="C" name="protein-CX" class="CX" mass="12.01"/> |
| <Type element="H" name="protein-H" class="H" mass="1.008"/> |
| <Type element="H" name="protein-HC" class="HC" mass="1.008"/> |
| <Type element="H" name="protein-H1" class="H1" mass="1.008"/> |
| <Type element="H" name="protein-HA" class="HA" mass="1.008"/> |
| <Type element="H" name="protein-H4" class="H4" mass="1.008"/> |
| <Type element="H" name="protein-H5" class="H5" mass="1.008"/> |
| <Type element="H" name="protein-HO" class="HO" mass="1.008"/> |
| <Type element="H" name="protein-HS" class="HS" mass="1.008"/> |
| <Type element="H" name="protein-HP" class="HP" mass="1.008"/> |
| <Type element="N" name="protein-N" class="N" mass="14.01"/> |
| <Type element="N" name="protein-NA" class="NA" mass="14.01"/> |
| <Type element="N" name="protein-NB" class="NB" mass="14.01"/> |
| <Type element="N" name="protein-N2" class="N2" mass="14.01"/> |
| <Type element="N" name="protein-N3" class="N3" mass="14.01"/> |
| <Type element="O" name="protein-O" class="O" mass="16.0"/> |
| <Type element="O" name="protein-O2" class="O2" mass="16.0"/> |
| <Type element="O" name="protein-OH" class="OH" mass="16.0"/> |
| <Type element="S" name="protein-S" class="S" mass="32.06"/> |
| <Type element="S" name="protein-SH" class="SH" mass="32.06"/> |
| <Type element="C" name="protein-CO" class="CO" mass="12.01"/> |
| <Type element="C" name="protein-2C" class="2C" mass="12.01"/> |
| <Type element="C" name="protein-3C" class="3C" mass="12.01"/> |
| <Type element="C" name="protein-C8" class="C8" mass="12.01"/> |
| </AtomTypes> |
| <Residues> |
| <Residue name="ALA"> |
| <Atom name="N" type="protein-N" charge="-0.4157"/> |
| <Atom name="H" type="protein-H" charge="0.2719"/> |
| <Atom name="CA" type="protein-CX" charge="0.0337"/> |
| <Atom name="HA" type="protein-H1" charge="0.0823"/> |
| <Atom name="CB" type="protein-CT" charge="-0.1825"/> |
| <Atom name="HB1" type="protein-HC" charge="0.0603"/> |
| <Atom name="HB2" type="protein-HC" charge="0.0603"/> |
| <Atom name="HB3" type="protein-HC" charge="0.0603"/> |
| <Atom name="C" type="protein-C" charge="0.5973"/> |
| <Atom name="O" type="protein-O" charge="-0.5679"/> |
| <Bond atomName1="N" atomName2="H"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB1"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <ExternalBond atomName="N"/> |
| <ExternalBond atomName="C"/> |
| </Residue> |
| <Residue name="ARG"> |
| <Atom name="N" type="protein-N" charge="-0.3479"/> |
| <Atom name="H" type="protein-H" charge="0.2747"/> |
| <Atom name="CA" type="protein-CX" charge="-0.2637"/> |
| <Atom name="HA" type="protein-H1" charge="0.156"/> |
| <Atom name="CB" type="protein-C8" charge="-0.0007"/> |
| <Atom name="HB2" type="protein-HC" charge="0.0327"/> |
| <Atom name="HB3" type="protein-HC" charge="0.0327"/> |
| <Atom name="CG" type="protein-C8" charge="0.039"/> |
| <Atom name="HG2" type="protein-HC" charge="0.0285"/> |
| <Atom name="HG3" type="protein-HC" charge="0.0285"/> |
| <Atom name="CD" type="protein-C8" charge="0.0486"/> |
| <Atom name="HD2" type="protein-H1" charge="0.0687"/> |
| <Atom name="HD3" type="protein-H1" charge="0.0687"/> |
| <Atom name="NE" type="protein-N2" charge="-0.5295"/> |
| <Atom name="HE" type="protein-H" charge="0.3456"/> |
| <Atom name="CZ" type="protein-CA" charge="0.8076"/> |
| <Atom name="NH1" type="protein-N2" charge="-0.8627"/> |
| <Atom name="HH11" type="protein-H" charge="0.4478"/> |
| <Atom name="HH12" type="protein-H" charge="0.4478"/> |
| <Atom name="NH2" type="protein-N2" charge="-0.8627"/> |
| <Atom name="HH21" type="protein-H" charge="0.4478"/> |
| <Atom name="HH22" type="protein-H" charge="0.4478"/> |
| <Atom name="C" type="protein-C" charge="0.7341"/> |
| <Atom name="O" type="protein-O" charge="-0.5894"/> |
| <Bond atomName1="N" atomName2="H"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="CB" atomName2="CG"/> |
| <Bond atomName1="CG" atomName2="HG2"/> |
| <Bond atomName1="CG" atomName2="HG3"/> |
| <Bond atomName1="CG" atomName2="CD"/> |
| <Bond atomName1="CD" atomName2="HD2"/> |
| <Bond atomName1="CD" atomName2="HD3"/> |
| <Bond atomName1="CD" atomName2="NE"/> |
| <Bond atomName1="NE" atomName2="HE"/> |
| <Bond atomName1="NE" atomName2="CZ"/> |
| <Bond atomName1="CZ" atomName2="NH1"/> |
| <Bond atomName1="CZ" atomName2="NH2"/> |
| <Bond atomName1="NH1" atomName2="HH11"/> |
| <Bond atomName1="NH1" atomName2="HH12"/> |
| <Bond atomName1="NH2" atomName2="HH21"/> |
| <Bond atomName1="NH2" atomName2="HH22"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <ExternalBond atomName="N"/> |
| <ExternalBond atomName="C"/> |
| </Residue> |
| <Residue name="ASH"> |
| <Atom name="N" type="protein-N" charge="-0.4157"/> |
| <Atom name="H" type="protein-H" charge="0.2719"/> |
| <Atom name="CA" type="protein-CX" charge="0.0341"/> |
| <Atom name="HA" type="protein-H1" charge="0.0864"/> |
| <Atom name="CB" type="protein-2C" charge="-0.0316"/> |
| <Atom name="HB2" type="protein-HC" charge="0.0488"/> |
| <Atom name="HB3" type="protein-HC" charge="0.0488"/> |
| <Atom name="CG" type="protein-C" charge="0.6462"/> |
| <Atom name="OD1" type="protein-O" charge="-0.5554"/> |
| <Atom name="OD2" type="protein-OH" charge="-0.6376"/> |
| <Atom name="HD2" type="protein-HO" charge="0.4747"/> |
| <Atom name="C" type="protein-C" charge="0.5973"/> |
| <Atom name="O" type="protein-O" charge="-0.5679"/> |
| <Bond atomName1="N" atomName2="H"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="CB" atomName2="CG"/> |
| <Bond atomName1="CG" atomName2="OD1"/> |
| <Bond atomName1="CG" atomName2="OD2"/> |
| <Bond atomName1="OD2" atomName2="HD2"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <ExternalBond atomName="N"/> |
| <ExternalBond atomName="C"/> |
| </Residue> |
| <Residue name="ASN"> |
| <Atom name="N" type="protein-N" charge="-0.4157"/> |
| <Atom name="H" type="protein-H" charge="0.2719"/> |
| <Atom name="CA" type="protein-CX" charge="0.0143"/> |
| <Atom name="HA" type="protein-H1" charge="0.1048"/> |
| <Atom name="CB" type="protein-2C" charge="-0.2041"/> |
| <Atom name="HB2" type="protein-HC" charge="0.0797"/> |
| <Atom name="HB3" type="protein-HC" charge="0.0797"/> |
| <Atom name="CG" type="protein-C" charge="0.713"/> |
| <Atom name="OD1" type="protein-O" charge="-0.5931"/> |
| <Atom name="ND2" type="protein-N" charge="-0.9191"/> |
| <Atom name="HD21" type="protein-H" charge="0.4196"/> |
| <Atom name="HD22" type="protein-H" charge="0.4196"/> |
| <Atom name="C" type="protein-C" charge="0.5973"/> |
| <Atom name="O" type="protein-O" charge="-0.5679"/> |
| <Bond atomName1="N" atomName2="H"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="CB" atomName2="CG"/> |
| <Bond atomName1="CG" atomName2="OD1"/> |
| <Bond atomName1="CG" atomName2="ND2"/> |
| <Bond atomName1="ND2" atomName2="HD21"/> |
| <Bond atomName1="ND2" atomName2="HD22"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <ExternalBond atomName="N"/> |
| <ExternalBond atomName="C"/> |
| </Residue> |
| <Residue name="ASP"> |
| <Atom name="N" type="protein-N" charge="-0.5163"/> |
| <Atom name="H" type="protein-H" charge="0.2936"/> |
| <Atom name="CA" type="protein-CX" charge="0.0381"/> |
| <Atom name="HA" type="protein-H1" charge="0.088"/> |
| <Atom name="CB" type="protein-2C" charge="-0.0303"/> |
| <Atom name="HB2" type="protein-HC" charge="-0.0122"/> |
| <Atom name="HB3" type="protein-HC" charge="-0.0122"/> |
| <Atom name="CG" type="protein-CO" charge="0.7994"/> |
| <Atom name="OD1" type="protein-O2" charge="-0.8014"/> |
| <Atom name="OD2" type="protein-O2" charge="-0.8014"/> |
| <Atom name="C" type="protein-C" charge="0.5366"/> |
| <Atom name="O" type="protein-O" charge="-0.5819"/> |
| <Bond atomName1="N" atomName2="H"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="CB" atomName2="CG"/> |
| <Bond atomName1="CG" atomName2="OD1"/> |
| <Bond atomName1="CG" atomName2="OD2"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <ExternalBond atomName="N"/> |
| <ExternalBond atomName="C"/> |
| </Residue> |
| <Residue name="CYM"> |
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| <Atom name="H" type="protein-H" charge="0.2719"/> |
| <Atom name="CA" type="protein-CX" charge="-0.0351"/> |
| <Atom name="HA" type="protein-H1" charge="0.0508"/> |
| <Atom name="CB" type="protein-CT" charge="-0.2413"/> |
| <Atom name="HB3" type="protein-H1" charge="0.1122"/> |
| <Atom name="HB2" type="protein-H1" charge="0.1122"/> |
| <Atom name="SG" type="protein-SH" charge="-0.8844"/> |
| <Atom name="C" type="protein-C" charge="0.5973"/> |
| <Atom name="O" type="protein-O" charge="-0.5679"/> |
| <Bond atomName1="N" atomName2="H"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="SG"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <ExternalBond atomName="N"/> |
| <ExternalBond atomName="C"/> |
| </Residue> |
| <Residue name="CYS"> |
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| <Atom name="H" type="protein-H" charge="0.2719"/> |
| <Atom name="CA" type="protein-CX" charge="0.0213"/> |
| <Atom name="HA" type="protein-H1" charge="0.1124"/> |
| <Atom name="CB" type="protein-2C" charge="-0.1231"/> |
| <Atom name="HB2" type="protein-H1" charge="0.1112"/> |
| <Atom name="HB3" type="protein-H1" charge="0.1112"/> |
| <Atom name="SG" type="protein-SH" charge="-0.3119"/> |
| <Atom name="HG" type="protein-HS" charge="0.1933"/> |
| <Atom name="C" type="protein-C" charge="0.5973"/> |
| <Atom name="O" type="protein-O" charge="-0.5679"/> |
| <Bond atomName1="N" atomName2="H"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="CB" atomName2="SG"/> |
| <Bond atomName1="SG" atomName2="HG"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <ExternalBond atomName="N"/> |
| <ExternalBond atomName="C"/> |
| </Residue> |
| <Residue name="CYX"> |
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| <Atom name="H" type="protein-H" charge="0.2719"/> |
| <Atom name="CA" type="protein-CX" charge="0.0429"/> |
| <Atom name="HA" type="protein-H1" charge="0.0766"/> |
| <Atom name="CB" type="protein-2C" charge="-0.079"/> |
| <Atom name="HB2" type="protein-H1" charge="0.091"/> |
| <Atom name="HB3" type="protein-H1" charge="0.091"/> |
| <Atom name="SG" type="protein-S" charge="-0.1081"/> |
| <Atom name="C" type="protein-C" charge="0.5973"/> |
| <Atom name="O" type="protein-O" charge="-0.5679"/> |
| <Bond atomName1="N" atomName2="H"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="CB" atomName2="SG"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <ExternalBond atomName="SG"/> |
| <ExternalBond atomName="N"/> |
| <ExternalBond atomName="C"/> |
| </Residue> |
| <Residue name="GLH"> |
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| <Atom name="H" type="protein-H" charge="0.2719"/> |
| <Atom name="CA" type="protein-CX" charge="0.0145"/> |
| <Atom name="HA" type="protein-H1" charge="0.0779"/> |
| <Atom name="CB" type="protein-2C" charge="-0.0071"/> |
| <Atom name="HB2" type="protein-HC" charge="0.0256"/> |
| <Atom name="HB3" type="protein-HC" charge="0.0256"/> |
| <Atom name="CG" type="protein-2C" charge="-0.0174"/> |
| <Atom name="HG2" type="protein-HC" charge="0.043"/> |
| <Atom name="HG3" type="protein-HC" charge="0.043"/> |
| <Atom name="CD" type="protein-C" charge="0.6801"/> |
| <Atom name="OE1" type="protein-O" charge="-0.5838"/> |
| <Atom name="OE2" type="protein-OH" charge="-0.6511"/> |
| <Atom name="HE2" type="protein-HO" charge="0.4641"/> |
| <Atom name="C" type="protein-C" charge="0.5973"/> |
| <Atom name="O" type="protein-O" charge="-0.5679"/> |
| <Bond atomName1="N" atomName2="H"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="CB" atomName2="CG"/> |
| <Bond atomName1="CG" atomName2="HG2"/> |
| <Bond atomName1="CG" atomName2="HG3"/> |
| <Bond atomName1="CG" atomName2="CD"/> |
| <Bond atomName1="CD" atomName2="OE1"/> |
| <Bond atomName1="CD" atomName2="OE2"/> |
| <Bond atomName1="OE2" atomName2="HE2"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <ExternalBond atomName="N"/> |
| <ExternalBond atomName="C"/> |
| </Residue> |
| <Residue name="GLN"> |
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| <Atom name="CA" type="protein-CX" charge="-0.0031"/> |
| <Atom name="HA" type="protein-H1" charge="0.085"/> |
| <Atom name="CB" type="protein-2C" charge="-0.0036"/> |
| <Atom name="HB2" type="protein-HC" charge="0.0171"/> |
| <Atom name="HB3" type="protein-HC" charge="0.0171"/> |
| <Atom name="CG" type="protein-2C" charge="-0.0645"/> |
| <Atom name="HG2" type="protein-HC" charge="0.0352"/> |
| <Atom name="HG3" type="protein-HC" charge="0.0352"/> |
| <Atom name="CD" type="protein-C" charge="0.6951"/> |
| <Atom name="OE1" type="protein-O" charge="-0.6086"/> |
| <Atom name="NE2" type="protein-N" charge="-0.9407"/> |
| <Atom name="HE21" type="protein-H" charge="0.4251"/> |
| <Atom name="HE22" type="protein-H" charge="0.4251"/> |
| <Atom name="C" type="protein-C" charge="0.5973"/> |
| <Atom name="O" type="protein-O" charge="-0.5679"/> |
| <Bond atomName1="N" atomName2="H"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="CB" atomName2="CG"/> |
| <Bond atomName1="CG" atomName2="HG2"/> |
| <Bond atomName1="CG" atomName2="HG3"/> |
| <Bond atomName1="CG" atomName2="CD"/> |
| <Bond atomName1="CD" atomName2="OE1"/> |
| <Bond atomName1="CD" atomName2="NE2"/> |
| <Bond atomName1="NE2" atomName2="HE21"/> |
| <Bond atomName1="NE2" atomName2="HE22"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <ExternalBond atomName="N"/> |
| <ExternalBond atomName="C"/> |
| </Residue> |
| <Residue name="GLU"> |
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| <Atom name="H" type="protein-H" charge="0.2936"/> |
| <Atom name="CA" type="protein-CX" charge="0.0397"/> |
| <Atom name="HA" type="protein-H1" charge="0.1105"/> |
| <Atom name="CB" type="protein-2C" charge="0.056"/> |
| <Atom name="HB2" type="protein-HC" charge="-0.0173"/> |
| <Atom name="HB3" type="protein-HC" charge="-0.0173"/> |
| <Atom name="CG" type="protein-2C" charge="0.0136"/> |
| <Atom name="HG2" type="protein-HC" charge="-0.0425"/> |
| <Atom name="HG3" type="protein-HC" charge="-0.0425"/> |
| <Atom name="CD" type="protein-CO" charge="0.8054"/> |
| <Atom name="OE1" type="protein-O2" charge="-0.8188"/> |
| <Atom name="OE2" type="protein-O2" charge="-0.8188"/> |
| <Atom name="C" type="protein-C" charge="0.5366"/> |
| <Atom name="O" type="protein-O" charge="-0.5819"/> |
| <Bond atomName1="N" atomName2="H"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="CB" atomName2="CG"/> |
| <Bond atomName1="CG" atomName2="HG2"/> |
| <Bond atomName1="CG" atomName2="HG3"/> |
| <Bond atomName1="CG" atomName2="CD"/> |
| <Bond atomName1="CD" atomName2="OE1"/> |
| <Bond atomName1="CD" atomName2="OE2"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <ExternalBond atomName="N"/> |
| <ExternalBond atomName="C"/> |
| </Residue> |
| <Residue name="GLY"> |
| <Atom name="N" type="protein-N" charge="-0.4157"/> |
| <Atom name="H" type="protein-H" charge="0.2719"/> |
| <Atom name="CA" type="protein-CX" charge="-0.0252"/> |
| <Atom name="HA2" type="protein-H1" charge="0.0698"/> |
| <Atom name="HA3" type="protein-H1" charge="0.0698"/> |
| <Atom name="C" type="protein-C" charge="0.5973"/> |
| <Atom name="O" type="protein-O" charge="-0.5679"/> |
| <Bond atomName1="N" atomName2="H"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA2"/> |
| <Bond atomName1="CA" atomName2="HA3"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <ExternalBond atomName="N"/> |
| <ExternalBond atomName="C"/> |
| </Residue> |
| <Residue name="HID"> |
| <Atom name="N" type="protein-N" charge="-0.4157"/> |
| <Atom name="H" type="protein-H" charge="0.2719"/> |
| <Atom name="CA" type="protein-CX" charge="0.0188"/> |
| <Atom name="HA" type="protein-H1" charge="0.0881"/> |
| <Atom name="CB" type="protein-CT" charge="-0.0462"/> |
| <Atom name="HB2" type="protein-HC" charge="0.0402"/> |
| <Atom name="HB3" type="protein-HC" charge="0.0402"/> |
| <Atom name="CG" type="protein-CC" charge="-0.0266"/> |
| <Atom name="ND1" type="protein-NA" charge="-0.3811"/> |
| <Atom name="HD1" type="protein-H" charge="0.3649"/> |
| <Atom name="CE1" type="protein-CR" charge="0.2057"/> |
| <Atom name="HE1" type="protein-H5" charge="0.1392"/> |
| <Atom name="NE2" type="protein-NB" charge="-0.5727"/> |
| <Atom name="CD2" type="protein-CV" charge="0.1292"/> |
| <Atom name="HD2" type="protein-H4" charge="0.1147"/> |
| <Atom name="C" type="protein-C" charge="0.5973"/> |
| <Atom name="O" type="protein-O" charge="-0.5679"/> |
| <Bond atomName1="N" atomName2="H"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="CB" atomName2="CG"/> |
| <Bond atomName1="CG" atomName2="ND1"/> |
| <Bond atomName1="CG" atomName2="CD2"/> |
| <Bond atomName1="ND1" atomName2="HD1"/> |
| <Bond atomName1="ND1" atomName2="CE1"/> |
| <Bond atomName1="CE1" atomName2="HE1"/> |
| <Bond atomName1="CE1" atomName2="NE2"/> |
| <Bond atomName1="NE2" atomName2="CD2"/> |
| <Bond atomName1="CD2" atomName2="HD2"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <ExternalBond atomName="N"/> |
| <ExternalBond atomName="C"/> |
| </Residue> |
| <Residue name="HIE"> |
| <Atom name="N" type="protein-N" charge="-0.4157"/> |
| <Atom name="H" type="protein-H" charge="0.2719"/> |
| <Atom name="CA" type="protein-CX" charge="-0.0581"/> |
| <Atom name="HA" type="protein-H1" charge="0.136"/> |
| <Atom name="CB" type="protein-CT" charge="-0.0074"/> |
| <Atom name="HB2" type="protein-HC" charge="0.0367"/> |
| <Atom name="HB3" type="protein-HC" charge="0.0367"/> |
| <Atom name="CG" type="protein-CC" charge="0.1868"/> |
| <Atom name="ND1" type="protein-NB" charge="-0.5432"/> |
| <Atom name="CE1" type="protein-CR" charge="0.1635"/> |
| <Atom name="HE1" type="protein-H5" charge="0.1435"/> |
| <Atom name="NE2" type="protein-NA" charge="-0.2795"/> |
| <Atom name="HE2" type="protein-H" charge="0.3339"/> |
| <Atom name="CD2" type="protein-CW" charge="-0.2207"/> |
| <Atom name="HD2" type="protein-H4" charge="0.1862"/> |
| <Atom name="C" type="protein-C" charge="0.5973"/> |
| <Atom name="O" type="protein-O" charge="-0.5679"/> |
| <Bond atomName1="N" atomName2="H"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="CB" atomName2="CG"/> |
| <Bond atomName1="CG" atomName2="ND1"/> |
| <Bond atomName1="CG" atomName2="CD2"/> |
| <Bond atomName1="ND1" atomName2="CE1"/> |
| <Bond atomName1="CE1" atomName2="HE1"/> |
| <Bond atomName1="CE1" atomName2="NE2"/> |
| <Bond atomName1="NE2" atomName2="HE2"/> |
| <Bond atomName1="NE2" atomName2="CD2"/> |
| <Bond atomName1="CD2" atomName2="HD2"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <ExternalBond atomName="N"/> |
| <ExternalBond atomName="C"/> |
| </Residue> |
| <Residue name="HIP"> |
| <Atom name="N" type="protein-N" charge="-0.3479"/> |
| <Atom name="H" type="protein-H" charge="0.2747"/> |
| <Atom name="CA" type="protein-CX" charge="-0.1354"/> |
| <Atom name="HA" type="protein-H1" charge="0.1212"/> |
| <Atom name="CB" type="protein-CT" charge="-0.0414"/> |
| <Atom name="HB2" type="protein-HC" charge="0.081"/> |
| <Atom name="HB3" type="protein-HC" charge="0.081"/> |
| <Atom name="CG" type="protein-CC" charge="-0.0012"/> |
| <Atom name="ND1" type="protein-NA" charge="-0.1513"/> |
| <Atom name="HD1" type="protein-H" charge="0.3866"/> |
| <Atom name="CE1" type="protein-CR" charge="-0.017"/> |
| <Atom name="HE1" type="protein-H5" charge="0.2681"/> |
| <Atom name="NE2" type="protein-NA" charge="-0.1718"/> |
| <Atom name="HE2" type="protein-H" charge="0.3911"/> |
| <Atom name="CD2" type="protein-CW" charge="-0.1141"/> |
| <Atom name="HD2" type="protein-H4" charge="0.2317"/> |
| <Atom name="C" type="protein-C" charge="0.7341"/> |
| <Atom name="O" type="protein-O" charge="-0.5894"/> |
| <Bond atomName1="N" atomName2="H"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="CB" atomName2="CG"/> |
| <Bond atomName1="CG" atomName2="ND1"/> |
| <Bond atomName1="CG" atomName2="CD2"/> |
| <Bond atomName1="ND1" atomName2="HD1"/> |
| <Bond atomName1="ND1" atomName2="CE1"/> |
| <Bond atomName1="CE1" atomName2="HE1"/> |
| <Bond atomName1="CE1" atomName2="NE2"/> |
| <Bond atomName1="NE2" atomName2="HE2"/> |
| <Bond atomName1="NE2" atomName2="CD2"/> |
| <Bond atomName1="CD2" atomName2="HD2"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <ExternalBond atomName="N"/> |
| <ExternalBond atomName="C"/> |
| </Residue> |
| <Residue name="HYP"> |
| <Atom name="N" type="protein-N" charge="-0.2548"/> |
| <Atom name="CD" type="protein-CT" charge="0.0595"/> |
| <Atom name="HD22" type="protein-H1" charge="0.07"/> |
| <Atom name="HD23" type="protein-H1" charge="0.07"/> |
| <Atom name="CG" type="protein-CT" charge="0.04"/> |
| <Atom name="HG" type="protein-H1" charge="0.0416"/> |
| <Atom name="OD1" type="protein-OH" charge="-0.6134"/> |
| <Atom name="HD1" type="protein-HO" charge="0.3851"/> |
| <Atom name="CB" type="protein-CT" charge="0.0203"/> |
| <Atom name="HB2" type="protein-HC" charge="0.0426"/> |
| <Atom name="HB3" type="protein-HC" charge="0.0426"/> |
| <Atom name="CA" type="protein-CX" charge="0.0047"/> |
| <Atom name="HA" type="protein-H1" charge="0.077"/> |
| <Atom name="C" type="protein-C" charge="0.5896"/> |
| <Atom name="O" type="protein-O" charge="-0.5748"/> |
| <Bond atomName1="N" atomName2="CD"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CD" atomName2="HD22"/> |
| <Bond atomName1="CD" atomName2="HD23"/> |
| <Bond atomName1="CD" atomName2="CG"/> |
| <Bond atomName1="CG" atomName2="HG"/> |
| <Bond atomName1="CG" atomName2="OD1"/> |
| <Bond atomName1="CG" atomName2="CB"/> |
| <Bond atomName1="OD1" atomName2="HD1"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="CB" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <ExternalBond atomName="N"/> |
| <ExternalBond atomName="C"/> |
| </Residue> |
| <Residue name="ILE"> |
| <Atom name="N" type="protein-N" charge="-0.4157"/> |
| <Atom name="H" type="protein-H" charge="0.2719"/> |
| <Atom name="CA" type="protein-CX" charge="-0.0597"/> |
| <Atom name="HA" type="protein-H1" charge="0.0869"/> |
| <Atom name="CB" type="protein-3C" charge="0.1303"/> |
| <Atom name="HB" type="protein-HC" charge="0.0187"/> |
| <Atom name="CG2" type="protein-CT" charge="-0.3204"/> |
| <Atom name="HG21" type="protein-HC" charge="0.0882"/> |
| <Atom name="HG22" type="protein-HC" charge="0.0882"/> |
| <Atom name="HG23" type="protein-HC" charge="0.0882"/> |
| <Atom name="CG1" type="protein-2C" charge="-0.043"/> |
| <Atom name="HG12" type="protein-HC" charge="0.0236"/> |
| <Atom name="HG13" type="protein-HC" charge="0.0236"/> |
| <Atom name="CD1" type="protein-CT" charge="-0.066"/> |
| <Atom name="HD11" type="protein-HC" charge="0.0186"/> |
| <Atom name="HD12" type="protein-HC" charge="0.0186"/> |
| <Atom name="HD13" type="protein-HC" charge="0.0186"/> |
| <Atom name="C" type="protein-C" charge="0.5973"/> |
| <Atom name="O" type="protein-O" charge="-0.5679"/> |
| <Bond atomName1="N" atomName2="H"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB"/> |
| <Bond atomName1="CB" atomName2="CG2"/> |
| <Bond atomName1="CB" atomName2="CG1"/> |
| <Bond atomName1="CG2" atomName2="HG21"/> |
| <Bond atomName1="CG2" atomName2="HG22"/> |
| <Bond atomName1="CG2" atomName2="HG23"/> |
| <Bond atomName1="CG1" atomName2="HG12"/> |
| <Bond atomName1="CG1" atomName2="HG13"/> |
| <Bond atomName1="CG1" atomName2="CD1"/> |
| <Bond atomName1="CD1" atomName2="HD11"/> |
| <Bond atomName1="CD1" atomName2="HD12"/> |
| <Bond atomName1="CD1" atomName2="HD13"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <ExternalBond atomName="N"/> |
| <ExternalBond atomName="C"/> |
| </Residue> |
| <Residue name="LEU"> |
| <Atom name="N" type="protein-N" charge="-0.4157"/> |
| <Atom name="H" type="protein-H" charge="0.2719"/> |
| <Atom name="CA" type="protein-CX" charge="-0.0518"/> |
| <Atom name="HA" type="protein-H1" charge="0.0922"/> |
| <Atom name="CB" type="protein-2C" charge="-0.1102"/> |
| <Atom name="HB2" type="protein-HC" charge="0.0457"/> |
| <Atom name="HB3" type="protein-HC" charge="0.0457"/> |
| <Atom name="CG" type="protein-3C" charge="0.3531"/> |
| <Atom name="HG" type="protein-HC" charge="-0.0361"/> |
| <Atom name="CD1" type="protein-CT" charge="-0.4121"/> |
| <Atom name="HD11" type="protein-HC" charge="0.1"/> |
| <Atom name="HD12" type="protein-HC" charge="0.1"/> |
| <Atom name="HD13" type="protein-HC" charge="0.1"/> |
| <Atom name="CD2" type="protein-CT" charge="-0.4121"/> |
| <Atom name="HD21" type="protein-HC" charge="0.1"/> |
| <Atom name="HD22" type="protein-HC" charge="0.1"/> |
| <Atom name="HD23" type="protein-HC" charge="0.1"/> |
| <Atom name="C" type="protein-C" charge="0.5973"/> |
| <Atom name="O" type="protein-O" charge="-0.5679"/> |
| <Bond atomName1="N" atomName2="H"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="CB" atomName2="CG"/> |
| <Bond atomName1="CG" atomName2="HG"/> |
| <Bond atomName1="CG" atomName2="CD1"/> |
| <Bond atomName1="CG" atomName2="CD2"/> |
| <Bond atomName1="CD1" atomName2="HD11"/> |
| <Bond atomName1="CD1" atomName2="HD12"/> |
| <Bond atomName1="CD1" atomName2="HD13"/> |
| <Bond atomName1="CD2" atomName2="HD21"/> |
| <Bond atomName1="CD2" atomName2="HD22"/> |
| <Bond atomName1="CD2" atomName2="HD23"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <ExternalBond atomName="N"/> |
| <ExternalBond atomName="C"/> |
| </Residue> |
| <Residue name="LYN"> |
| <Atom name="N" type="protein-N" charge="-0.4157"/> |
| <Atom name="H" type="protein-H" charge="0.2719"/> |
| <Atom name="CA" type="protein-CX" charge="-0.07206"/> |
| <Atom name="HA" type="protein-H1" charge="0.0994"/> |
| <Atom name="CB" type="protein-CT" charge="-0.04845"/> |
| <Atom name="HB2" type="protein-HC" charge="0.034"/> |
| <Atom name="HB3" type="protein-HC" charge="0.034"/> |
| <Atom name="CG" type="protein-CT" charge="0.06612"/> |
| <Atom name="HG2" type="protein-HC" charge="0.01041"/> |
| <Atom name="HG3" type="protein-HC" charge="0.01041"/> |
| <Atom name="CD" type="protein-CT" charge="-0.03768"/> |
| <Atom name="HD2" type="protein-HC" charge="0.01155"/> |
| <Atom name="HD3" type="protein-HC" charge="0.01155"/> |
| <Atom name="CE" type="protein-CT" charge="0.32604"/> |
| <Atom name="HE2" type="protein-HP" charge="-0.03358"/> |
| <Atom name="HE3" type="protein-HP" charge="-0.03358"/> |
| <Atom name="NZ" type="protein-N3" charge="-1.03581"/> |
| <Atom name="HZ2" type="protein-H" charge="0.38604"/> |
| <Atom name="HZ3" type="protein-H" charge="0.38604"/> |
| <Atom name="C" type="protein-C" charge="0.5973"/> |
| <Atom name="O" type="protein-O" charge="-0.5679"/> |
| <Bond atomName1="N" atomName2="H"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="CB" atomName2="CG"/> |
| <Bond atomName1="CG" atomName2="HG2"/> |
| <Bond atomName1="CG" atomName2="HG3"/> |
| <Bond atomName1="CG" atomName2="CD"/> |
| <Bond atomName1="CD" atomName2="HD2"/> |
| <Bond atomName1="CD" atomName2="HD3"/> |
| <Bond atomName1="CD" atomName2="CE"/> |
| <Bond atomName1="CE" atomName2="HE2"/> |
| <Bond atomName1="CE" atomName2="HE3"/> |
| <Bond atomName1="CE" atomName2="NZ"/> |
| <Bond atomName1="NZ" atomName2="HZ2"/> |
| <Bond atomName1="NZ" atomName2="HZ3"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <ExternalBond atomName="N"/> |
| <ExternalBond atomName="C"/> |
| </Residue> |
| <Residue name="LYS"> |
| <Atom name="N" type="protein-N" charge="-0.3479"/> |
| <Atom name="H" type="protein-H" charge="0.2747"/> |
| <Atom name="CA" type="protein-CX" charge="-0.24"/> |
| <Atom name="HA" type="protein-H1" charge="0.1426"/> |
| <Atom name="CB" type="protein-C8" charge="-0.0094"/> |
| <Atom name="HB2" type="protein-HC" charge="0.0362"/> |
| <Atom name="HB3" type="protein-HC" charge="0.0362"/> |
| <Atom name="CG" type="protein-C8" charge="0.0187"/> |
| <Atom name="HG2" type="protein-HC" charge="0.0103"/> |
| <Atom name="HG3" type="protein-HC" charge="0.0103"/> |
| <Atom name="CD" type="protein-C8" charge="-0.0479"/> |
| <Atom name="HD2" type="protein-HC" charge="0.0621"/> |
| <Atom name="HD3" type="protein-HC" charge="0.0621"/> |
| <Atom name="CE" type="protein-C8" charge="-0.0143"/> |
| <Atom name="HE2" type="protein-HP" charge="0.1135"/> |
| <Atom name="HE3" type="protein-HP" charge="0.1135"/> |
| <Atom name="NZ" type="protein-N3" charge="-0.3854"/> |
| <Atom name="HZ1" type="protein-H" charge="0.34"/> |
| <Atom name="HZ2" type="protein-H" charge="0.34"/> |
| <Atom name="HZ3" type="protein-H" charge="0.34"/> |
| <Atom name="C" type="protein-C" charge="0.7341"/> |
| <Atom name="O" type="protein-O" charge="-0.5894"/> |
| <Bond atomName1="N" atomName2="H"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="CB" atomName2="CG"/> |
| <Bond atomName1="CG" atomName2="HG2"/> |
| <Bond atomName1="CG" atomName2="HG3"/> |
| <Bond atomName1="CG" atomName2="CD"/> |
| <Bond atomName1="CD" atomName2="HD2"/> |
| <Bond atomName1="CD" atomName2="HD3"/> |
| <Bond atomName1="CD" atomName2="CE"/> |
| <Bond atomName1="CE" atomName2="HE2"/> |
| <Bond atomName1="CE" atomName2="HE3"/> |
| <Bond atomName1="CE" atomName2="NZ"/> |
| <Bond atomName1="NZ" atomName2="HZ1"/> |
| <Bond atomName1="NZ" atomName2="HZ2"/> |
| <Bond atomName1="NZ" atomName2="HZ3"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <ExternalBond atomName="N"/> |
| <ExternalBond atomName="C"/> |
| </Residue> |
| <Residue name="MET"> |
| <Atom name="N" type="protein-N" charge="-0.4157"/> |
| <Atom name="H" type="protein-H" charge="0.2719"/> |
| <Atom name="CA" type="protein-CX" charge="-0.0237"/> |
| <Atom name="HA" type="protein-H1" charge="0.088"/> |
| <Atom name="CB" type="protein-2C" charge="0.0342"/> |
| <Atom name="HB2" type="protein-HC" charge="0.0241"/> |
| <Atom name="HB3" type="protein-HC" charge="0.0241"/> |
| <Atom name="CG" type="protein-2C" charge="0.0018"/> |
| <Atom name="HG2" type="protein-H1" charge="0.044"/> |
| <Atom name="HG3" type="protein-H1" charge="0.044"/> |
| <Atom name="SD" type="protein-S" charge="-0.2737"/> |
| <Atom name="CE" type="protein-CT" charge="-0.0536"/> |
| <Atom name="HE1" type="protein-H1" charge="0.0684"/> |
| <Atom name="HE2" type="protein-H1" charge="0.0684"/> |
| <Atom name="HE3" type="protein-H1" charge="0.0684"/> |
| <Atom name="C" type="protein-C" charge="0.5973"/> |
| <Atom name="O" type="protein-O" charge="-0.5679"/> |
| <Bond atomName1="N" atomName2="H"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="CB" atomName2="CG"/> |
| <Bond atomName1="CG" atomName2="HG2"/> |
| <Bond atomName1="CG" atomName2="HG3"/> |
| <Bond atomName1="CG" atomName2="SD"/> |
| <Bond atomName1="SD" atomName2="CE"/> |
| <Bond atomName1="CE" atomName2="HE1"/> |
| <Bond atomName1="CE" atomName2="HE2"/> |
| <Bond atomName1="CE" atomName2="HE3"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <ExternalBond atomName="N"/> |
| <ExternalBond atomName="C"/> |
| </Residue> |
| <Residue name="PHE"> |
| <Atom name="N" type="protein-N" charge="-0.4157"/> |
| <Atom name="H" type="protein-H" charge="0.2719"/> |
| <Atom name="CA" type="protein-CX" charge="-0.0024"/> |
| <Atom name="HA" type="protein-H1" charge="0.0978"/> |
| <Atom name="CB" type="protein-CT" charge="-0.0343"/> |
| <Atom name="HB2" type="protein-HC" charge="0.0295"/> |
| <Atom name="HB3" type="protein-HC" charge="0.0295"/> |
| <Atom name="CG" type="protein-CA" charge="0.0118"/> |
| <Atom name="CD1" type="protein-CA" charge="-0.1256"/> |
| <Atom name="HD1" type="protein-HA" charge="0.133"/> |
| <Atom name="CE1" type="protein-CA" charge="-0.1704"/> |
| <Atom name="HE1" type="protein-HA" charge="0.143"/> |
| <Atom name="CZ" type="protein-CA" charge="-0.1072"/> |
| <Atom name="HZ" type="protein-HA" charge="0.1297"/> |
| <Atom name="CE2" type="protein-CA" charge="-0.1704"/> |
| <Atom name="HE2" type="protein-HA" charge="0.143"/> |
| <Atom name="CD2" type="protein-CA" charge="-0.1256"/> |
| <Atom name="HD2" type="protein-HA" charge="0.133"/> |
| <Atom name="C" type="protein-C" charge="0.5973"/> |
| <Atom name="O" type="protein-O" charge="-0.5679"/> |
| <Bond atomName1="N" atomName2="H"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="CB" atomName2="CG"/> |
| <Bond atomName1="CG" atomName2="CD1"/> |
| <Bond atomName1="CG" atomName2="CD2"/> |
| <Bond atomName1="CD1" atomName2="HD1"/> |
| <Bond atomName1="CD1" atomName2="CE1"/> |
| <Bond atomName1="CE1" atomName2="HE1"/> |
| <Bond atomName1="CE1" atomName2="CZ"/> |
| <Bond atomName1="CZ" atomName2="HZ"/> |
| <Bond atomName1="CZ" atomName2="CE2"/> |
| <Bond atomName1="CE2" atomName2="HE2"/> |
| <Bond atomName1="CE2" atomName2="CD2"/> |
| <Bond atomName1="CD2" atomName2="HD2"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <ExternalBond atomName="N"/> |
| <ExternalBond atomName="C"/> |
| </Residue> |
| <Residue name="PRO"> |
| <Atom name="N" type="protein-N" charge="-0.2548"/> |
| <Atom name="CD" type="protein-CT" charge="0.0192"/> |
| <Atom name="HD2" type="protein-H1" charge="0.0391"/> |
| <Atom name="HD3" type="protein-H1" charge="0.0391"/> |
| <Atom name="CG" type="protein-CT" charge="0.0189"/> |
| <Atom name="HG2" type="protein-HC" charge="0.0213"/> |
| <Atom name="HG3" type="protein-HC" charge="0.0213"/> |
| <Atom name="CB" type="protein-CT" charge="-0.007"/> |
| <Atom name="HB2" type="protein-HC" charge="0.0253"/> |
| <Atom name="HB3" type="protein-HC" charge="0.0253"/> |
| <Atom name="CA" type="protein-CX" charge="-0.0266"/> |
| <Atom name="HA" type="protein-H1" charge="0.0641"/> |
| <Atom name="C" type="protein-C" charge="0.5896"/> |
| <Atom name="O" type="protein-O" charge="-0.5748"/> |
| <Bond atomName1="N" atomName2="CD"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CD" atomName2="HD2"/> |
| <Bond atomName1="CD" atomName2="HD3"/> |
| <Bond atomName1="CD" atomName2="CG"/> |
| <Bond atomName1="CG" atomName2="HG2"/> |
| <Bond atomName1="CG" atomName2="HG3"/> |
| <Bond atomName1="CG" atomName2="CB"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="CB" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <ExternalBond atomName="N"/> |
| <ExternalBond atomName="C"/> |
| </Residue> |
| <Residue name="SER"> |
| <Atom name="N" type="protein-N" charge="-0.4157"/> |
| <Atom name="H" type="protein-H" charge="0.2719"/> |
| <Atom name="CA" type="protein-CX" charge="-0.0249"/> |
| <Atom name="HA" type="protein-H1" charge="0.0843"/> |
| <Atom name="CB" type="protein-2C" charge="0.2117"/> |
| <Atom name="HB2" type="protein-H1" charge="0.0352"/> |
| <Atom name="HB3" type="protein-H1" charge="0.0352"/> |
| <Atom name="OG" type="protein-OH" charge="-0.6546"/> |
| <Atom name="HG" type="protein-HO" charge="0.4275"/> |
| <Atom name="C" type="protein-C" charge="0.5973"/> |
| <Atom name="O" type="protein-O" charge="-0.5679"/> |
| <Bond atomName1="N" atomName2="H"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="CB" atomName2="OG"/> |
| <Bond atomName1="OG" atomName2="HG"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <ExternalBond atomName="N"/> |
| <ExternalBond atomName="C"/> |
| </Residue> |
| <Residue name="THR"> |
| <Atom name="N" type="protein-N" charge="-0.4157"/> |
| <Atom name="H" type="protein-H" charge="0.2719"/> |
| <Atom name="CA" type="protein-CX" charge="-0.0389"/> |
| <Atom name="HA" type="protein-H1" charge="0.1007"/> |
| <Atom name="CB" type="protein-3C" charge="0.3654"/> |
| <Atom name="HB" type="protein-H1" charge="0.0043"/> |
| <Atom name="CG2" type="protein-CT" charge="-0.2438"/> |
| <Atom name="HG21" type="protein-HC" charge="0.0642"/> |
| <Atom name="HG22" type="protein-HC" charge="0.0642"/> |
| <Atom name="HG23" type="protein-HC" charge="0.0642"/> |
| <Atom name="OG1" type="protein-OH" charge="-0.6761"/> |
| <Atom name="HG1" type="protein-HO" charge="0.4102"/> |
| <Atom name="C" type="protein-C" charge="0.5973"/> |
| <Atom name="O" type="protein-O" charge="-0.5679"/> |
| <Bond atomName1="N" atomName2="H"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB"/> |
| <Bond atomName1="CB" atomName2="CG2"/> |
| <Bond atomName1="CB" atomName2="OG1"/> |
| <Bond atomName1="CG2" atomName2="HG21"/> |
| <Bond atomName1="CG2" atomName2="HG22"/> |
| <Bond atomName1="CG2" atomName2="HG23"/> |
| <Bond atomName1="OG1" atomName2="HG1"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <ExternalBond atomName="N"/> |
| <ExternalBond atomName="C"/> |
| </Residue> |
| <Residue name="TRP"> |
| <Atom name="N" type="protein-N" charge="-0.4157"/> |
| <Atom name="H" type="protein-H" charge="0.2719"/> |
| <Atom name="CA" type="protein-CX" charge="-0.0275"/> |
| <Atom name="HA" type="protein-H1" charge="0.1123"/> |
| <Atom name="CB" type="protein-CT" charge="-0.005"/> |
| <Atom name="HB2" type="protein-HC" charge="0.0339"/> |
| <Atom name="HB3" type="protein-HC" charge="0.0339"/> |
| <Atom name="CG" type="protein-C*" charge="-0.1415"/> |
| <Atom name="CD1" type="protein-CW" charge="-0.1638"/> |
| <Atom name="HD1" type="protein-H4" charge="0.2062"/> |
| <Atom name="NE1" type="protein-NA" charge="-0.3418"/> |
| <Atom name="HE1" type="protein-H" charge="0.3412"/> |
| <Atom name="CE2" type="protein-CN" charge="0.138"/> |
| <Atom name="CZ2" type="protein-CA" charge="-0.2601"/> |
| <Atom name="HZ2" type="protein-HA" charge="0.1572"/> |
| <Atom name="CH2" type="protein-CA" charge="-0.1134"/> |
| <Atom name="HH2" type="protein-HA" charge="0.1417"/> |
| <Atom name="CZ3" type="protein-CA" charge="-0.1972"/> |
| <Atom name="HZ3" type="protein-HA" charge="0.1447"/> |
| <Atom name="CE3" type="protein-CA" charge="-0.2387"/> |
| <Atom name="HE3" type="protein-HA" charge="0.17"/> |
| <Atom name="CD2" type="protein-CB" charge="0.1243"/> |
| <Atom name="C" type="protein-C" charge="0.5973"/> |
| <Atom name="O" type="protein-O" charge="-0.5679"/> |
| <Bond atomName1="N" atomName2="H"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="CB" atomName2="CG"/> |
| <Bond atomName1="CG" atomName2="CD1"/> |
| <Bond atomName1="CG" atomName2="CD2"/> |
| <Bond atomName1="CD1" atomName2="HD1"/> |
| <Bond atomName1="CD1" atomName2="NE1"/> |
| <Bond atomName1="NE1" atomName2="HE1"/> |
| <Bond atomName1="NE1" atomName2="CE2"/> |
| <Bond atomName1="CE2" atomName2="CZ2"/> |
| <Bond atomName1="CE2" atomName2="CD2"/> |
| <Bond atomName1="CZ2" atomName2="HZ2"/> |
| <Bond atomName1="CZ2" atomName2="CH2"/> |
| <Bond atomName1="CH2" atomName2="HH2"/> |
| <Bond atomName1="CH2" atomName2="CZ3"/> |
| <Bond atomName1="CZ3" atomName2="HZ3"/> |
| <Bond atomName1="CZ3" atomName2="CE3"/> |
| <Bond atomName1="CE3" atomName2="HE3"/> |
| <Bond atomName1="CE3" atomName2="CD2"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <ExternalBond atomName="N"/> |
| <ExternalBond atomName="C"/> |
| </Residue> |
| <Residue name="TYR"> |
| <Atom name="N" type="protein-N" charge="-0.4157"/> |
| <Atom name="H" type="protein-H" charge="0.2719"/> |
| <Atom name="CA" type="protein-CX" charge="-0.0014"/> |
| <Atom name="HA" type="protein-H1" charge="0.0876"/> |
| <Atom name="CB" type="protein-CT" charge="-0.0152"/> |
| <Atom name="HB2" type="protein-HC" charge="0.0295"/> |
| <Atom name="HB3" type="protein-HC" charge="0.0295"/> |
| <Atom name="CG" type="protein-CA" charge="-0.0011"/> |
| <Atom name="CD1" type="protein-CA" charge="-0.1906"/> |
| <Atom name="HD1" type="protein-HA" charge="0.1699"/> |
| <Atom name="CE1" type="protein-CA" charge="-0.2341"/> |
| <Atom name="HE1" type="protein-HA" charge="0.1656"/> |
| <Atom name="CZ" type="protein-C" charge="0.3226"/> |
| <Atom name="OH" type="protein-OH" charge="-0.5579"/> |
| <Atom name="HH" type="protein-HO" charge="0.3992"/> |
| <Atom name="CE2" type="protein-CA" charge="-0.2341"/> |
| <Atom name="HE2" type="protein-HA" charge="0.1656"/> |
| <Atom name="CD2" type="protein-CA" charge="-0.1906"/> |
| <Atom name="HD2" type="protein-HA" charge="0.1699"/> |
| <Atom name="C" type="protein-C" charge="0.5973"/> |
| <Atom name="O" type="protein-O" charge="-0.5679"/> |
| <Bond atomName1="N" atomName2="H"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="CB" atomName2="CG"/> |
| <Bond atomName1="CG" atomName2="CD1"/> |
| <Bond atomName1="CG" atomName2="CD2"/> |
| <Bond atomName1="CD1" atomName2="HD1"/> |
| <Bond atomName1="CD1" atomName2="CE1"/> |
| <Bond atomName1="CE1" atomName2="HE1"/> |
| <Bond atomName1="CE1" atomName2="CZ"/> |
| <Bond atomName1="CZ" atomName2="OH"/> |
| <Bond atomName1="CZ" atomName2="CE2"/> |
| <Bond atomName1="OH" atomName2="HH"/> |
| <Bond atomName1="CE2" atomName2="HE2"/> |
| <Bond atomName1="CE2" atomName2="CD2"/> |
| <Bond atomName1="CD2" atomName2="HD2"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <ExternalBond atomName="N"/> |
| <ExternalBond atomName="C"/> |
| </Residue> |
| <Residue name="VAL"> |
| <Atom name="N" type="protein-N" charge="-0.4157"/> |
| <Atom name="H" type="protein-H" charge="0.2719"/> |
| <Atom name="CA" type="protein-CX" charge="-0.0875"/> |
| <Atom name="HA" type="protein-H1" charge="0.0969"/> |
| <Atom name="CB" type="protein-3C" charge="0.2985"/> |
| <Atom name="HB" type="protein-HC" charge="-0.0297"/> |
| <Atom name="CG1" type="protein-CT" charge="-0.3192"/> |
| <Atom name="HG11" type="protein-HC" charge="0.0791"/> |
| <Atom name="HG12" type="protein-HC" charge="0.0791"/> |
| <Atom name="HG13" type="protein-HC" charge="0.0791"/> |
| <Atom name="CG2" type="protein-CT" charge="-0.3192"/> |
| <Atom name="HG21" type="protein-HC" charge="0.0791"/> |
| <Atom name="HG22" type="protein-HC" charge="0.0791"/> |
| <Atom name="HG23" type="protein-HC" charge="0.0791"/> |
| <Atom name="C" type="protein-C" charge="0.5973"/> |
| <Atom name="O" type="protein-O" charge="-0.5679"/> |
| <Bond atomName1="N" atomName2="H"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB"/> |
| <Bond atomName1="CB" atomName2="CG1"/> |
| <Bond atomName1="CB" atomName2="CG2"/> |
| <Bond atomName1="CG1" atomName2="HG11"/> |
| <Bond atomName1="CG1" atomName2="HG12"/> |
| <Bond atomName1="CG1" atomName2="HG13"/> |
| <Bond atomName1="CG2" atomName2="HG21"/> |
| <Bond atomName1="CG2" atomName2="HG22"/> |
| <Bond atomName1="CG2" atomName2="HG23"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <ExternalBond atomName="N"/> |
| <ExternalBond atomName="C"/> |
| </Residue> |
| <Residue name="CALA"> |
| <Atom name="N" type="protein-N" charge="-0.3821"/> |
| <Atom name="H" type="protein-H" charge="0.2681"/> |
| <Atom name="CA" type="protein-CX" charge="-0.1747"/> |
| <Atom name="HA" type="protein-H1" charge="0.1067"/> |
| <Atom name="CB" type="protein-CT" charge="-0.2093"/> |
| <Atom name="HB1" type="protein-HC" charge="0.0764"/> |
| <Atom name="HB2" type="protein-HC" charge="0.0764"/> |
| <Atom name="HB3" type="protein-HC" charge="0.0764"/> |
| <Atom name="C" type="protein-C" charge="0.7731"/> |
| <Atom name="O" type="protein-O2" charge="-0.8055"/> |
| <Atom name="OXT" type="protein-O2" charge="-0.8055"/> |
| <Bond atomName1="N" atomName2="H"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB1"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <Bond atomName1="C" atomName2="OXT"/> |
| <ExternalBond atomName="N"/> |
| </Residue> |
| <Residue name="CARG"> |
| <Atom name="N" type="protein-N" charge="-0.3481"/> |
| <Atom name="H" type="protein-H" charge="0.2764"/> |
| <Atom name="CA" type="protein-CX" charge="-0.3068"/> |
| <Atom name="HA" type="protein-H1" charge="0.1447"/> |
| <Atom name="CB" type="protein-C8" charge="-0.0374"/> |
| <Atom name="HB2" type="protein-HC" charge="0.0371"/> |
| <Atom name="HB3" type="protein-HC" charge="0.0371"/> |
| <Atom name="CG" type="protein-C8" charge="0.0744"/> |
| <Atom name="HG2" type="protein-HC" charge="0.0185"/> |
| <Atom name="HG3" type="protein-HC" charge="0.0185"/> |
| <Atom name="CD" type="protein-C8" charge="0.1114"/> |
| <Atom name="HD2" type="protein-H1" charge="0.0468"/> |
| <Atom name="HD3" type="protein-H1" charge="0.0468"/> |
| <Atom name="NE" type="protein-N2" charge="-0.5564"/> |
| <Atom name="HE" type="protein-H" charge="0.3479"/> |
| <Atom name="CZ" type="protein-CA" charge="0.8368"/> |
| <Atom name="NH1" type="protein-N2" charge="-0.8737"/> |
| <Atom name="HH11" type="protein-H" charge="0.4493"/> |
| <Atom name="HH12" type="protein-H" charge="0.4493"/> |
| <Atom name="NH2" type="protein-N2" charge="-0.8737"/> |
| <Atom name="HH21" type="protein-H" charge="0.4493"/> |
| <Atom name="HH22" type="protein-H" charge="0.4493"/> |
| <Atom name="C" type="protein-C" charge="0.8557"/> |
| <Atom name="O" type="protein-O2" charge="-0.8266"/> |
| <Atom name="OXT" type="protein-O2" charge="-0.8266"/> |
| <Bond atomName1="N" atomName2="H"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="CB" atomName2="CG"/> |
| <Bond atomName1="CG" atomName2="HG2"/> |
| <Bond atomName1="CG" atomName2="HG3"/> |
| <Bond atomName1="CG" atomName2="CD"/> |
| <Bond atomName1="CD" atomName2="HD2"/> |
| <Bond atomName1="CD" atomName2="HD3"/> |
| <Bond atomName1="CD" atomName2="NE"/> |
| <Bond atomName1="NE" atomName2="HE"/> |
| <Bond atomName1="NE" atomName2="CZ"/> |
| <Bond atomName1="CZ" atomName2="NH1"/> |
| <Bond atomName1="CZ" atomName2="NH2"/> |
| <Bond atomName1="NH1" atomName2="HH11"/> |
| <Bond atomName1="NH1" atomName2="HH12"/> |
| <Bond atomName1="NH2" atomName2="HH21"/> |
| <Bond atomName1="NH2" atomName2="HH22"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <Bond atomName1="C" atomName2="OXT"/> |
| <ExternalBond atomName="N"/> |
| </Residue> |
| <Residue name="CASN"> |
| <Atom name="N" type="protein-N" charge="-0.3821"/> |
| <Atom name="H" type="protein-H" charge="0.2681"/> |
| <Atom name="CA" type="protein-CX" charge="-0.208"/> |
| <Atom name="HA" type="protein-H1" charge="0.1358"/> |
| <Atom name="CB" type="protein-2C" charge="-0.2299"/> |
| <Atom name="HB2" type="protein-HC" charge="0.1023"/> |
| <Atom name="HB3" type="protein-HC" charge="0.1023"/> |
| <Atom name="CG" type="protein-C" charge="0.7153"/> |
| <Atom name="OD1" type="protein-O" charge="-0.601"/> |
| <Atom name="ND2" type="protein-N" charge="-0.9084"/> |
| <Atom name="HD21" type="protein-H" charge="0.415"/> |
| <Atom name="HD22" type="protein-H" charge="0.415"/> |
| <Atom name="C" type="protein-C" charge="0.805"/> |
| <Atom name="O" type="protein-O2" charge="-0.8147"/> |
| <Atom name="OXT" type="protein-O2" charge="-0.8147"/> |
| <Bond atomName1="N" atomName2="H"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="CB" atomName2="CG"/> |
| <Bond atomName1="CG" atomName2="OD1"/> |
| <Bond atomName1="CG" atomName2="ND2"/> |
| <Bond atomName1="ND2" atomName2="HD21"/> |
| <Bond atomName1="ND2" atomName2="HD22"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <Bond atomName1="C" atomName2="OXT"/> |
| <ExternalBond atomName="N"/> |
| </Residue> |
| <Residue name="CASP"> |
| <Atom name="N" type="protein-N" charge="-0.5192"/> |
| <Atom name="H" type="protein-H" charge="0.3055"/> |
| <Atom name="CA" type="protein-CX" charge="-0.1817"/> |
| <Atom name="HA" type="protein-H1" charge="0.1046"/> |
| <Atom name="CB" type="protein-2C" charge="-0.0677"/> |
| <Atom name="HB2" type="protein-HC" charge="-0.0212"/> |
| <Atom name="HB3" type="protein-HC" charge="-0.0212"/> |
| <Atom name="CG" type="protein-CO" charge="0.8851"/> |
| <Atom name="OD1" type="protein-O2" charge="-0.8162"/> |
| <Atom name="OD2" type="protein-O2" charge="-0.8162"/> |
| <Atom name="C" type="protein-C" charge="0.7256"/> |
| <Atom name="O" type="protein-O2" charge="-0.7887"/> |
| <Atom name="OXT" type="protein-O2" charge="-0.7887"/> |
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| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="CB" atomName2="CG"/> |
| <Bond atomName1="CG" atomName2="OD1"/> |
| <Bond atomName1="CG" atomName2="OD2"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <Bond atomName1="C" atomName2="OXT"/> |
| <ExternalBond atomName="N"/> |
| </Residue> |
| <Residue name="CCYS"> |
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| <Atom name="H" type="protein-H" charge="0.2681"/> |
| <Atom name="CA" type="protein-CX" charge="-0.1635"/> |
| <Atom name="HA" type="protein-H1" charge="0.1396"/> |
| <Atom name="CB" type="protein-2C" charge="-0.1996"/> |
| <Atom name="HB2" type="protein-H1" charge="0.1437"/> |
| <Atom name="HB3" type="protein-H1" charge="0.1437"/> |
| <Atom name="SG" type="protein-SH" charge="-0.3102"/> |
| <Atom name="HG" type="protein-HS" charge="0.2068"/> |
| <Atom name="C" type="protein-C" charge="0.7497"/> |
| <Atom name="O" type="protein-O2" charge="-0.7981"/> |
| <Atom name="OXT" type="protein-O2" charge="-0.7981"/> |
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| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="CB" atomName2="SG"/> |
| <Bond atomName1="SG" atomName2="HG"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <Bond atomName1="C" atomName2="OXT"/> |
| <ExternalBond atomName="N"/> |
| </Residue> |
| <Residue name="CCYX"> |
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| <Atom name="H" type="protein-H" charge="0.2681"/> |
| <Atom name="CA" type="protein-CX" charge="-0.1318"/> |
| <Atom name="HA" type="protein-H1" charge="0.0938"/> |
| <Atom name="CB" type="protein-2C" charge="-0.1943"/> |
| <Atom name="HB2" type="protein-H1" charge="0.1228"/> |
| <Atom name="HB3" type="protein-H1" charge="0.1228"/> |
| <Atom name="SG" type="protein-S" charge="-0.0529"/> |
| <Atom name="C" type="protein-C" charge="0.7618"/> |
| <Atom name="O" type="protein-O2" charge="-0.8041"/> |
| <Atom name="OXT" type="protein-O2" charge="-0.8041"/> |
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| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="CB" atomName2="SG"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <Bond atomName1="C" atomName2="OXT"/> |
| <ExternalBond atomName="SG"/> |
| <ExternalBond atomName="N"/> |
| </Residue> |
| <Residue name="CGLN"> |
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| <Atom name="H" type="protein-H" charge="0.2681"/> |
| <Atom name="CA" type="protein-CX" charge="-0.2248"/> |
| <Atom name="HA" type="protein-H1" charge="0.1232"/> |
| <Atom name="CB" type="protein-2C" charge="-0.0664"/> |
| <Atom name="HB2" type="protein-HC" charge="0.0452"/> |
| <Atom name="HB3" type="protein-HC" charge="0.0452"/> |
| <Atom name="CG" type="protein-2C" charge="-0.021"/> |
| <Atom name="HG2" type="protein-HC" charge="0.0203"/> |
| <Atom name="HG3" type="protein-HC" charge="0.0203"/> |
| <Atom name="CD" type="protein-C" charge="0.7093"/> |
| <Atom name="OE1" type="protein-O" charge="-0.6098"/> |
| <Atom name="NE2" type="protein-N" charge="-0.9574"/> |
| <Atom name="HE21" type="protein-H" charge="0.4304"/> |
| <Atom name="HE22" type="protein-H" charge="0.4304"/> |
| <Atom name="C" type="protein-C" charge="0.7775"/> |
| <Atom name="O" type="protein-O2" charge="-0.8042"/> |
| <Atom name="OXT" type="protein-O2" charge="-0.8042"/> |
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| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="CB" atomName2="CG"/> |
| <Bond atomName1="CG" atomName2="HG2"/> |
| <Bond atomName1="CG" atomName2="HG3"/> |
| <Bond atomName1="CG" atomName2="CD"/> |
| <Bond atomName1="CD" atomName2="OE1"/> |
| <Bond atomName1="CD" atomName2="NE2"/> |
| <Bond atomName1="NE2" atomName2="HE21"/> |
| <Bond atomName1="NE2" atomName2="HE22"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <Bond atomName1="C" atomName2="OXT"/> |
| <ExternalBond atomName="N"/> |
| </Residue> |
| <Residue name="CGLU"> |
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| <Atom name="HA" type="protein-H1" charge="0.1399"/> |
| <Atom name="CB" type="protein-2C" charge="0.0071"/> |
| <Atom name="HB2" type="protein-HC" charge="-0.0078"/> |
| <Atom name="HB3" type="protein-HC" charge="-0.0078"/> |
| <Atom name="CG" type="protein-2C" charge="0.0675"/> |
| <Atom name="HG2" type="protein-HC" charge="-0.0548"/> |
| <Atom name="HG3" type="protein-HC" charge="-0.0548"/> |
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| <Atom name="OE1" type="protein-O2" charge="-0.822"/> |
| <Atom name="OE2" type="protein-O2" charge="-0.822"/> |
| <Atom name="C" type="protein-C" charge="0.742"/> |
| <Atom name="O" type="protein-O2" charge="-0.793"/> |
| <Atom name="OXT" type="protein-O2" charge="-0.793"/> |
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| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="CB" atomName2="CG"/> |
| <Bond atomName1="CG" atomName2="HG2"/> |
| <Bond atomName1="CG" atomName2="HG3"/> |
| <Bond atomName1="CG" atomName2="CD"/> |
| <Bond atomName1="CD" atomName2="OE1"/> |
| <Bond atomName1="CD" atomName2="OE2"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <Bond atomName1="C" atomName2="OXT"/> |
| <ExternalBond atomName="N"/> |
| </Residue> |
| <Residue name="CGLY"> |
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| <Atom name="H" type="protein-H" charge="0.2681"/> |
| <Atom name="CA" type="protein-CX" charge="-0.2493"/> |
| <Atom name="HA2" type="protein-H1" charge="0.1056"/> |
| <Atom name="HA3" type="protein-H1" charge="0.1056"/> |
| <Atom name="C" type="protein-C" charge="0.7231"/> |
| <Atom name="O" type="protein-O2" charge="-0.7855"/> |
| <Atom name="OXT" type="protein-O2" charge="-0.7855"/> |
| <Bond atomName1="N" atomName2="H"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA2"/> |
| <Bond atomName1="CA" atomName2="HA3"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <Bond atomName1="C" atomName2="OXT"/> |
| <ExternalBond atomName="N"/> |
| </Residue> |
| <Residue name="CHID"> |
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| <Atom name="H" type="protein-H" charge="0.2681"/> |
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| <Atom name="HA" type="protein-H1" charge="0.11"/> |
| <Atom name="CB" type="protein-CT" charge="-0.1046"/> |
| <Atom name="HB2" type="protein-HC" charge="0.0565"/> |
| <Atom name="HB3" type="protein-HC" charge="0.0565"/> |
| <Atom name="CG" type="protein-CC" charge="0.0293"/> |
| <Atom name="ND1" type="protein-NA" charge="-0.3892"/> |
| <Atom name="HD1" type="protein-H" charge="0.3755"/> |
| <Atom name="CE1" type="protein-CR" charge="0.1925"/> |
| <Atom name="HE1" type="protein-H5" charge="0.1418"/> |
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| <Atom name="CD2" type="protein-CV" charge="0.1001"/> |
| <Atom name="HD2" type="protein-H4" charge="0.1241"/> |
| <Atom name="C" type="protein-C" charge="0.7615"/> |
| <Atom name="O" type="protein-O2" charge="-0.8016"/> |
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| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="CB" atomName2="CG"/> |
| <Bond atomName1="CG" atomName2="ND1"/> |
| <Bond atomName1="CG" atomName2="CD2"/> |
| <Bond atomName1="ND1" atomName2="HD1"/> |
| <Bond atomName1="ND1" atomName2="CE1"/> |
| <Bond atomName1="CE1" atomName2="HE1"/> |
| <Bond atomName1="CE1" atomName2="NE2"/> |
| <Bond atomName1="NE2" atomName2="CD2"/> |
| <Bond atomName1="CD2" atomName2="HD2"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <Bond atomName1="C" atomName2="OXT"/> |
| <ExternalBond atomName="N"/> |
| </Residue> |
| <Residue name="CHIE"> |
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| <Atom name="H" type="protein-H" charge="0.2681"/> |
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| <Atom name="HA" type="protein-H1" charge="0.165"/> |
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| <Atom name="HB2" type="protein-HC" charge="0.062"/> |
| <Atom name="HB3" type="protein-HC" charge="0.062"/> |
| <Atom name="CG" type="protein-CC" charge="0.2724"/> |
| <Atom name="ND1" type="protein-NB" charge="-0.5517"/> |
| <Atom name="CE1" type="protein-CR" charge="0.1558"/> |
| <Atom name="HE1" type="protein-H5" charge="0.1448"/> |
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| <Atom name="HE2" type="protein-H" charge="0.3319"/> |
| <Atom name="CD2" type="protein-CW" charge="-0.2588"/> |
| <Atom name="HD2" type="protein-H4" charge="0.1957"/> |
| <Atom name="C" type="protein-C" charge="0.7916"/> |
| <Atom name="O" type="protein-O2" charge="-0.8065"/> |
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| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="CB" atomName2="CG"/> |
| <Bond atomName1="CG" atomName2="ND1"/> |
| <Bond atomName1="CG" atomName2="CD2"/> |
| <Bond atomName1="ND1" atomName2="CE1"/> |
| <Bond atomName1="CE1" atomName2="HE1"/> |
| <Bond atomName1="CE1" atomName2="NE2"/> |
| <Bond atomName1="NE2" atomName2="HE2"/> |
| <Bond atomName1="NE2" atomName2="CD2"/> |
| <Bond atomName1="CD2" atomName2="HD2"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <Bond atomName1="C" atomName2="OXT"/> |
| <ExternalBond atomName="N"/> |
| </Residue> |
| <Residue name="CHIP"> |
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| <Atom name="HB2" type="protein-HC" charge="0.0868"/> |
| <Atom name="HB3" type="protein-HC" charge="0.0868"/> |
| <Atom name="CG" type="protein-CC" charge="0.0298"/> |
| <Atom name="ND1" type="protein-NA" charge="-0.1501"/> |
| <Atom name="HD1" type="protein-H" charge="0.3883"/> |
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| <Atom name="HE1" type="protein-H5" charge="0.2694"/> |
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| <Atom name="HE2" type="protein-H" charge="0.3913"/> |
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| <Atom name="C" type="protein-C" charge="0.8032"/> |
| <Atom name="O" type="protein-O2" charge="-0.8177"/> |
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| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="CB" atomName2="CG"/> |
| <Bond atomName1="CG" atomName2="ND1"/> |
| <Bond atomName1="CG" atomName2="CD2"/> |
| <Bond atomName1="ND1" atomName2="HD1"/> |
| <Bond atomName1="ND1" atomName2="CE1"/> |
| <Bond atomName1="CE1" atomName2="HE1"/> |
| <Bond atomName1="CE1" atomName2="NE2"/> |
| <Bond atomName1="NE2" atomName2="HE2"/> |
| <Bond atomName1="NE2" atomName2="CD2"/> |
| <Bond atomName1="CD2" atomName2="HD2"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <Bond atomName1="C" atomName2="OXT"/> |
| <ExternalBond atomName="N"/> |
| </Residue> |
| <Residue name="CHYP"> |
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| <Atom name="HD22" type="protein-H1" charge="0.0331"/> |
| <Atom name="HD23" type="protein-H1" charge="0.0331"/> |
| <Atom name="CG" type="protein-CT" charge="0.081"/> |
| <Atom name="HG" type="protein-H1" charge="0.0416"/> |
| <Atom name="OD1" type="protein-OH" charge="-0.6134"/> |
| <Atom name="HD1" type="protein-HO" charge="0.3851"/> |
| <Atom name="CB" type="protein-CT" charge="0.0547"/> |
| <Atom name="HB2" type="protein-HC" charge="0.0426"/> |
| <Atom name="HB3" type="protein-HC" charge="0.0426"/> |
| <Atom name="CA" type="protein-CX" charge="-0.0993"/> |
| <Atom name="HA" type="protein-H1" charge="0.0776"/> |
| <Atom name="C" type="protein-C" charge="0.6631"/> |
| <Atom name="O" type="protein-O2" charge="-0.7697"/> |
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| <Bond atomName1="N" atomName2="CA"/> |
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| <Bond atomName1="CD" atomName2="HD23"/> |
| <Bond atomName1="CD" atomName2="CG"/> |
| <Bond atomName1="CG" atomName2="HG"/> |
| <Bond atomName1="CG" atomName2="OD1"/> |
| <Bond atomName1="CG" atomName2="CB"/> |
| <Bond atomName1="OD1" atomName2="HD1"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="CB" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <Bond atomName1="C" atomName2="OXT"/> |
| <ExternalBond atomName="N"/> |
| </Residue> |
| <Residue name="CILE"> |
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| <Atom name="HA" type="protein-H1" charge="0.1375"/> |
| <Atom name="CB" type="protein-3C" charge="0.0363"/> |
| <Atom name="HB" type="protein-HC" charge="0.0766"/> |
| <Atom name="CG2" type="protein-CT" charge="-0.3498"/> |
| <Atom name="HG21" type="protein-HC" charge="0.1021"/> |
| <Atom name="HG22" type="protein-HC" charge="0.1021"/> |
| <Atom name="HG23" type="protein-HC" charge="0.1021"/> |
| <Atom name="CG1" type="protein-2C" charge="-0.0323"/> |
| <Atom name="HG12" type="protein-HC" charge="0.0321"/> |
| <Atom name="HG13" type="protein-HC" charge="0.0321"/> |
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| <Atom name="HD12" type="protein-HC" charge="0.0196"/> |
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| <Atom name="O" type="protein-O2" charge="-0.819"/> |
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| <Bond atomName1="CB" atomName2="HB"/> |
| <Bond atomName1="CB" atomName2="CG2"/> |
| <Bond atomName1="CB" atomName2="CG1"/> |
| <Bond atomName1="CG2" atomName2="HG21"/> |
| <Bond atomName1="CG2" atomName2="HG22"/> |
| <Bond atomName1="CG2" atomName2="HG23"/> |
| <Bond atomName1="CG1" atomName2="HG12"/> |
| <Bond atomName1="CG1" atomName2="HG13"/> |
| <Bond atomName1="CG1" atomName2="CD1"/> |
| <Bond atomName1="CD1" atomName2="HD11"/> |
| <Bond atomName1="CD1" atomName2="HD12"/> |
| <Bond atomName1="CD1" atomName2="HD13"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <Bond atomName1="C" atomName2="OXT"/> |
| <ExternalBond atomName="N"/> |
| </Residue> |
| <Residue name="CLEU"> |
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| <Atom name="HA" type="protein-H1" charge="0.1346"/> |
| <Atom name="CB" type="protein-2C" charge="-0.2469"/> |
| <Atom name="HB2" type="protein-HC" charge="0.0974"/> |
| <Atom name="HB3" type="protein-HC" charge="0.0974"/> |
| <Atom name="CG" type="protein-3C" charge="0.3706"/> |
| <Atom name="HG" type="protein-HC" charge="-0.0374"/> |
| <Atom name="CD1" type="protein-CT" charge="-0.4163"/> |
| <Atom name="HD11" type="protein-HC" charge="0.1038"/> |
| <Atom name="HD12" type="protein-HC" charge="0.1038"/> |
| <Atom name="HD13" type="protein-HC" charge="0.1038"/> |
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| <Atom name="HD21" type="protein-HC" charge="0.1038"/> |
| <Atom name="HD22" type="protein-HC" charge="0.1038"/> |
| <Atom name="HD23" type="protein-HC" charge="0.1038"/> |
| <Atom name="C" type="protein-C" charge="0.8326"/> |
| <Atom name="O" type="protein-O2" charge="-0.8199"/> |
| <Atom name="OXT" type="protein-O2" charge="-0.8199"/> |
| <Bond atomName1="N" atomName2="H"/> |
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| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="CB" atomName2="CG"/> |
| <Bond atomName1="CG" atomName2="HG"/> |
| <Bond atomName1="CG" atomName2="CD1"/> |
| <Bond atomName1="CG" atomName2="CD2"/> |
| <Bond atomName1="CD1" atomName2="HD11"/> |
| <Bond atomName1="CD1" atomName2="HD12"/> |
| <Bond atomName1="CD1" atomName2="HD13"/> |
| <Bond atomName1="CD2" atomName2="HD21"/> |
| <Bond atomName1="CD2" atomName2="HD22"/> |
| <Bond atomName1="CD2" atomName2="HD23"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <Bond atomName1="C" atomName2="OXT"/> |
| <ExternalBond atomName="N"/> |
| </Residue> |
| <Residue name="CLYS"> |
| <Atom name="N" type="protein-N" charge="-0.3481"/> |
| <Atom name="H" type="protein-H" charge="0.2764"/> |
| <Atom name="CA" type="protein-CX" charge="-0.2903"/> |
| <Atom name="HA" type="protein-H1" charge="0.1438"/> |
| <Atom name="CB" type="protein-C8" charge="-0.0538"/> |
| <Atom name="HB2" type="protein-HC" charge="0.0482"/> |
| <Atom name="HB3" type="protein-HC" charge="0.0482"/> |
| <Atom name="CG" type="protein-C8" charge="0.0227"/> |
| <Atom name="HG2" type="protein-HC" charge="0.0134"/> |
| <Atom name="HG3" type="protein-HC" charge="0.0134"/> |
| <Atom name="CD" type="protein-C8" charge="-0.0392"/> |
| <Atom name="HD2" type="protein-HC" charge="0.0611"/> |
| <Atom name="HD3" type="protein-HC" charge="0.0611"/> |
| <Atom name="CE" type="protein-C8" charge="-0.0176"/> |
| <Atom name="HE2" type="protein-HP" charge="0.1121"/> |
| <Atom name="HE3" type="protein-HP" charge="0.1121"/> |
| <Atom name="NZ" type="protein-N3" charge="-0.3741"/> |
| <Atom name="HZ1" type="protein-H" charge="0.3374"/> |
| <Atom name="HZ2" type="protein-H" charge="0.3374"/> |
| <Atom name="HZ3" type="protein-H" charge="0.3374"/> |
| <Atom name="C" type="protein-C" charge="0.8488"/> |
| <Atom name="O" type="protein-O2" charge="-0.8252"/> |
| <Atom name="OXT" type="protein-O2" charge="-0.8252"/> |
| <Bond atomName1="N" atomName2="H"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="CB" atomName2="CG"/> |
| <Bond atomName1="CG" atomName2="HG2"/> |
| <Bond atomName1="CG" atomName2="HG3"/> |
| <Bond atomName1="CG" atomName2="CD"/> |
| <Bond atomName1="CD" atomName2="HD2"/> |
| <Bond atomName1="CD" atomName2="HD3"/> |
| <Bond atomName1="CD" atomName2="CE"/> |
| <Bond atomName1="CE" atomName2="HE2"/> |
| <Bond atomName1="CE" atomName2="HE3"/> |
| <Bond atomName1="CE" atomName2="NZ"/> |
| <Bond atomName1="NZ" atomName2="HZ1"/> |
| <Bond atomName1="NZ" atomName2="HZ2"/> |
| <Bond atomName1="NZ" atomName2="HZ3"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <Bond atomName1="C" atomName2="OXT"/> |
| <ExternalBond atomName="N"/> |
| </Residue> |
| <Residue name="CMET"> |
| <Atom name="N" type="protein-N" charge="-0.3821"/> |
| <Atom name="H" type="protein-H" charge="0.2681"/> |
| <Atom name="CA" type="protein-CX" charge="-0.2597"/> |
| <Atom name="HA" type="protein-H1" charge="0.1277"/> |
| <Atom name="CB" type="protein-2C" charge="-0.0236"/> |
| <Atom name="HB2" type="protein-HC" charge="0.048"/> |
| <Atom name="HB3" type="protein-HC" charge="0.048"/> |
| <Atom name="CG" type="protein-2C" charge="0.0492"/> |
| <Atom name="HG2" type="protein-H1" charge="0.0317"/> |
| <Atom name="HG3" type="protein-H1" charge="0.0317"/> |
| <Atom name="SD" type="protein-S" charge="-0.2692"/> |
| <Atom name="CE" type="protein-CT" charge="-0.0376"/> |
| <Atom name="HE1" type="protein-H1" charge="0.0625"/> |
| <Atom name="HE2" type="protein-H1" charge="0.0625"/> |
| <Atom name="HE3" type="protein-H1" charge="0.0625"/> |
| <Atom name="C" type="protein-C" charge="0.8013"/> |
| <Atom name="O" type="protein-O2" charge="-0.8105"/> |
| <Atom name="OXT" type="protein-O2" charge="-0.8105"/> |
| <Bond atomName1="N" atomName2="H"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="CB" atomName2="CG"/> |
| <Bond atomName1="CG" atomName2="HG2"/> |
| <Bond atomName1="CG" atomName2="HG3"/> |
| <Bond atomName1="CG" atomName2="SD"/> |
| <Bond atomName1="SD" atomName2="CE"/> |
| <Bond atomName1="CE" atomName2="HE1"/> |
| <Bond atomName1="CE" atomName2="HE2"/> |
| <Bond atomName1="CE" atomName2="HE3"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <Bond atomName1="C" atomName2="OXT"/> |
| <ExternalBond atomName="N"/> |
| </Residue> |
| <Residue name="CPHE"> |
| <Atom name="N" type="protein-N" charge="-0.3821"/> |
| <Atom name="H" type="protein-H" charge="0.2681"/> |
| <Atom name="CA" type="protein-CX" charge="-0.1825"/> |
| <Atom name="HA" type="protein-H1" charge="0.1098"/> |
| <Atom name="CB" type="protein-CT" charge="-0.0959"/> |
| <Atom name="HB2" type="protein-HC" charge="0.0443"/> |
| <Atom name="HB3" type="protein-HC" charge="0.0443"/> |
| <Atom name="CG" type="protein-CA" charge="0.0552"/> |
| <Atom name="CD1" type="protein-CA" charge="-0.13"/> |
| <Atom name="HD1" type="protein-HA" charge="0.1408"/> |
| <Atom name="CE1" type="protein-CA" charge="-0.1847"/> |
| <Atom name="HE1" type="protein-HA" charge="0.1461"/> |
| <Atom name="CZ" type="protein-CA" charge="-0.0944"/> |
| <Atom name="HZ" type="protein-HA" charge="0.128"/> |
| <Atom name="CE2" type="protein-CA" charge="-0.1847"/> |
| <Atom name="HE2" type="protein-HA" charge="0.1461"/> |
| <Atom name="CD2" type="protein-CA" charge="-0.13"/> |
| <Atom name="HD2" type="protein-HA" charge="0.1408"/> |
| <Atom name="C" type="protein-C" charge="0.766"/> |
| <Atom name="O" type="protein-O2" charge="-0.8026"/> |
| <Atom name="OXT" type="protein-O2" charge="-0.8026"/> |
| <Bond atomName1="N" atomName2="H"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="CB" atomName2="CG"/> |
| <Bond atomName1="CG" atomName2="CD1"/> |
| <Bond atomName1="CG" atomName2="CD2"/> |
| <Bond atomName1="CD1" atomName2="HD1"/> |
| <Bond atomName1="CD1" atomName2="CE1"/> |
| <Bond atomName1="CE1" atomName2="HE1"/> |
| <Bond atomName1="CE1" atomName2="CZ"/> |
| <Bond atomName1="CZ" atomName2="HZ"/> |
| <Bond atomName1="CZ" atomName2="CE2"/> |
| <Bond atomName1="CE2" atomName2="HE2"/> |
| <Bond atomName1="CE2" atomName2="CD2"/> |
| <Bond atomName1="CD2" atomName2="HD2"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <Bond atomName1="C" atomName2="OXT"/> |
| <ExternalBond atomName="N"/> |
| </Residue> |
| <Residue name="CPRO"> |
| <Atom name="N" type="protein-N" charge="-0.2802"/> |
| <Atom name="CD" type="protein-CT" charge="0.0434"/> |
| <Atom name="HD2" type="protein-H1" charge="0.0331"/> |
| <Atom name="HD3" type="protein-H1" charge="0.0331"/> |
| <Atom name="CG" type="protein-CT" charge="0.0466"/> |
| <Atom name="HG2" type="protein-HC" charge="0.0172"/> |
| <Atom name="HG3" type="protein-HC" charge="0.0172"/> |
| <Atom name="CB" type="protein-CT" charge="-0.0543"/> |
| <Atom name="HB2" type="protein-HC" charge="0.0381"/> |
| <Atom name="HB3" type="protein-HC" charge="0.0381"/> |
| <Atom name="CA" type="protein-CX" charge="-0.1336"/> |
| <Atom name="HA" type="protein-H1" charge="0.0776"/> |
| <Atom name="C" type="protein-C" charge="0.6631"/> |
| <Atom name="O" type="protein-O2" charge="-0.7697"/> |
| <Atom name="OXT" type="protein-O2" charge="-0.7697"/> |
| <Bond atomName1="N" atomName2="CD"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CD" atomName2="HD2"/> |
| <Bond atomName1="CD" atomName2="HD3"/> |
| <Bond atomName1="CD" atomName2="CG"/> |
| <Bond atomName1="CG" atomName2="HG2"/> |
| <Bond atomName1="CG" atomName2="HG3"/> |
| <Bond atomName1="CG" atomName2="CB"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="CB" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <Bond atomName1="C" atomName2="OXT"/> |
| <ExternalBond atomName="N"/> |
| </Residue> |
| <Residue name="CSER"> |
| <Atom name="N" type="protein-N" charge="-0.3821"/> |
| <Atom name="H" type="protein-H" charge="0.2681"/> |
| <Atom name="CA" type="protein-CX" charge="-0.2722"/> |
| <Atom name="HA" type="protein-H1" charge="0.1304"/> |
| <Atom name="CB" type="protein-2C" charge="0.1123"/> |
| <Atom name="HB2" type="protein-H1" charge="0.0813"/> |
| <Atom name="HB3" type="protein-H1" charge="0.0813"/> |
| <Atom name="OG" type="protein-OH" charge="-0.6514"/> |
| <Atom name="HG" type="protein-HO" charge="0.4474"/> |
| <Atom name="C" type="protein-C" charge="0.8113"/> |
| <Atom name="O" type="protein-O2" charge="-0.8132"/> |
| <Atom name="OXT" type="protein-O2" charge="-0.8132"/> |
| <Bond atomName1="N" atomName2="H"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="CB" atomName2="OG"/> |
| <Bond atomName1="OG" atomName2="HG"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <Bond atomName1="C" atomName2="OXT"/> |
| <ExternalBond atomName="N"/> |
| </Residue> |
| <Residue name="CTHR"> |
| <Atom name="N" type="protein-N" charge="-0.3821"/> |
| <Atom name="H" type="protein-H" charge="0.2681"/> |
| <Atom name="CA" type="protein-CX" charge="-0.242"/> |
| <Atom name="HA" type="protein-H1" charge="0.1207"/> |
| <Atom name="CB" type="protein-3C" charge="0.3025"/> |
| <Atom name="HB" type="protein-H1" charge="0.0078"/> |
| <Atom name="CG2" type="protein-CT" charge="-0.1853"/> |
| <Atom name="HG21" type="protein-HC" charge="0.0586"/> |
| <Atom name="HG22" type="protein-HC" charge="0.0586"/> |
| <Atom name="HG23" type="protein-HC" charge="0.0586"/> |
| <Atom name="OG1" type="protein-OH" charge="-0.6496"/> |
| <Atom name="HG1" type="protein-HO" charge="0.4119"/> |
| <Atom name="C" type="protein-C" charge="0.781"/> |
| <Atom name="O" type="protein-O2" charge="-0.8044"/> |
| <Atom name="OXT" type="protein-O2" charge="-0.8044"/> |
| <Bond atomName1="N" atomName2="H"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB"/> |
| <Bond atomName1="CB" atomName2="CG2"/> |
| <Bond atomName1="CB" atomName2="OG1"/> |
| <Bond atomName1="CG2" atomName2="HG21"/> |
| <Bond atomName1="CG2" atomName2="HG22"/> |
| <Bond atomName1="CG2" atomName2="HG23"/> |
| <Bond atomName1="OG1" atomName2="HG1"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <Bond atomName1="C" atomName2="OXT"/> |
| <ExternalBond atomName="N"/> |
| </Residue> |
| <Residue name="CTRP"> |
| <Atom name="N" type="protein-N" charge="-0.3821"/> |
| <Atom name="H" type="protein-H" charge="0.2681"/> |
| <Atom name="CA" type="protein-CX" charge="-0.2084"/> |
| <Atom name="HA" type="protein-H1" charge="0.1272"/> |
| <Atom name="CB" type="protein-CT" charge="-0.0742"/> |
| <Atom name="HB2" type="protein-HC" charge="0.0497"/> |
| <Atom name="HB3" type="protein-HC" charge="0.0497"/> |
| <Atom name="CG" type="protein-C*" charge="-0.0796"/> |
| <Atom name="CD1" type="protein-CW" charge="-0.1808"/> |
| <Atom name="HD1" type="protein-H4" charge="0.2043"/> |
| <Atom name="NE1" type="protein-NA" charge="-0.3316"/> |
| <Atom name="HE1" type="protein-H" charge="0.3413"/> |
| <Atom name="CE2" type="protein-CN" charge="0.1222"/> |
| <Atom name="CZ2" type="protein-CA" charge="-0.2594"/> |
| <Atom name="HZ2" type="protein-HA" charge="0.1567"/> |
| <Atom name="CH2" type="protein-CA" charge="-0.102"/> |
| <Atom name="HH2" type="protein-HA" charge="0.1401"/> |
| <Atom name="CZ3" type="protein-CA" charge="-0.2287"/> |
| <Atom name="HZ3" type="protein-HA" charge="0.1507"/> |
| <Atom name="CE3" type="protein-CA" charge="-0.1837"/> |
| <Atom name="HE3" type="protein-HA" charge="0.1491"/> |
| <Atom name="CD2" type="protein-CB" charge="0.1078"/> |
| <Atom name="C" type="protein-C" charge="0.7658"/> |
| <Atom name="O" type="protein-O2" charge="-0.8011"/> |
| <Atom name="OXT" type="protein-O2" charge="-0.8011"/> |
| <Bond atomName1="N" atomName2="H"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="CB" atomName2="CG"/> |
| <Bond atomName1="CG" atomName2="CD1"/> |
| <Bond atomName1="CG" atomName2="CD2"/> |
| <Bond atomName1="CD1" atomName2="HD1"/> |
| <Bond atomName1="CD1" atomName2="NE1"/> |
| <Bond atomName1="NE1" atomName2="HE1"/> |
| <Bond atomName1="NE1" atomName2="CE2"/> |
| <Bond atomName1="CE2" atomName2="CZ2"/> |
| <Bond atomName1="CE2" atomName2="CD2"/> |
| <Bond atomName1="CZ2" atomName2="HZ2"/> |
| <Bond atomName1="CZ2" atomName2="CH2"/> |
| <Bond atomName1="CH2" atomName2="HH2"/> |
| <Bond atomName1="CH2" atomName2="CZ3"/> |
| <Bond atomName1="CZ3" atomName2="HZ3"/> |
| <Bond atomName1="CZ3" atomName2="CE3"/> |
| <Bond atomName1="CE3" atomName2="HE3"/> |
| <Bond atomName1="CE3" atomName2="CD2"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <Bond atomName1="C" atomName2="OXT"/> |
| <ExternalBond atomName="N"/> |
| </Residue> |
| <Residue name="CTYR"> |
| <Atom name="N" type="protein-N" charge="-0.3821"/> |
| <Atom name="H" type="protein-H" charge="0.2681"/> |
| <Atom name="CA" type="protein-CX" charge="-0.2015"/> |
| <Atom name="HA" type="protein-H1" charge="0.1092"/> |
| <Atom name="CB" type="protein-CT" charge="-0.0752"/> |
| <Atom name="HB2" type="protein-HC" charge="0.049"/> |
| <Atom name="HB3" type="protein-HC" charge="0.049"/> |
| <Atom name="CG" type="protein-CA" charge="0.0243"/> |
| <Atom name="CD1" type="protein-CA" charge="-0.1922"/> |
| <Atom name="HD1" type="protein-HA" charge="0.178"/> |
| <Atom name="CE1" type="protein-CA" charge="-0.2458"/> |
| <Atom name="HE1" type="protein-HA" charge="0.1673"/> |
| <Atom name="CZ" type="protein-C" charge="0.3395"/> |
| <Atom name="OH" type="protein-OH" charge="-0.5643"/> |
| <Atom name="HH" type="protein-HO" charge="0.4017"/> |
| <Atom name="CE2" type="protein-CA" charge="-0.2458"/> |
| <Atom name="HE2" type="protein-HA" charge="0.1673"/> |
| <Atom name="CD2" type="protein-CA" charge="-0.1922"/> |
| <Atom name="HD2" type="protein-HA" charge="0.178"/> |
| <Atom name="C" type="protein-C" charge="0.7817"/> |
| <Atom name="O" type="protein-O2" charge="-0.807"/> |
| <Atom name="OXT" type="protein-O2" charge="-0.807"/> |
| <Bond atomName1="N" atomName2="H"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="CB" atomName2="CG"/> |
| <Bond atomName1="CG" atomName2="CD1"/> |
| <Bond atomName1="CG" atomName2="CD2"/> |
| <Bond atomName1="CD1" atomName2="HD1"/> |
| <Bond atomName1="CD1" atomName2="CE1"/> |
| <Bond atomName1="CE1" atomName2="HE1"/> |
| <Bond atomName1="CE1" atomName2="CZ"/> |
| <Bond atomName1="CZ" atomName2="OH"/> |
| <Bond atomName1="CZ" atomName2="CE2"/> |
| <Bond atomName1="OH" atomName2="HH"/> |
| <Bond atomName1="CE2" atomName2="HE2"/> |
| <Bond atomName1="CE2" atomName2="CD2"/> |
| <Bond atomName1="CD2" atomName2="HD2"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <Bond atomName1="C" atomName2="OXT"/> |
| <ExternalBond atomName="N"/> |
| </Residue> |
| <Residue name="CVAL"> |
| <Atom name="N" type="protein-N" charge="-0.3821"/> |
| <Atom name="H" type="protein-H" charge="0.2681"/> |
| <Atom name="CA" type="protein-CX" charge="-0.3438"/> |
| <Atom name="HA" type="protein-H1" charge="0.1438"/> |
| <Atom name="CB" type="protein-3C" charge="0.194"/> |
| <Atom name="HB" type="protein-HC" charge="0.0308"/> |
| <Atom name="CG1" type="protein-CT" charge="-0.3064"/> |
| <Atom name="HG11" type="protein-HC" charge="0.0836"/> |
| <Atom name="HG12" type="protein-HC" charge="0.0836"/> |
| <Atom name="HG13" type="protein-HC" charge="0.0836"/> |
| <Atom name="CG2" type="protein-CT" charge="-0.3064"/> |
| <Atom name="HG21" type="protein-HC" charge="0.0836"/> |
| <Atom name="HG22" type="protein-HC" charge="0.0836"/> |
| <Atom name="HG23" type="protein-HC" charge="0.0836"/> |
| <Atom name="C" type="protein-C" charge="0.835"/> |
| <Atom name="O" type="protein-O2" charge="-0.8173"/> |
| <Atom name="OXT" type="protein-O2" charge="-0.8173"/> |
| <Bond atomName1="N" atomName2="H"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB"/> |
| <Bond atomName1="CB" atomName2="CG1"/> |
| <Bond atomName1="CB" atomName2="CG2"/> |
| <Bond atomName1="CG1" atomName2="HG11"/> |
| <Bond atomName1="CG1" atomName2="HG12"/> |
| <Bond atomName1="CG1" atomName2="HG13"/> |
| <Bond atomName1="CG2" atomName2="HG21"/> |
| <Bond atomName1="CG2" atomName2="HG22"/> |
| <Bond atomName1="CG2" atomName2="HG23"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <Bond atomName1="C" atomName2="OXT"/> |
| <ExternalBond atomName="N"/> |
| </Residue> |
| <Residue name="NHE"> |
| <Atom name="N" type="protein-N" charge="-0.463"/> |
| <Atom name="HN1" type="protein-H" charge="0.2315"/> |
| <Atom name="HN2" type="protein-H" charge="0.2315"/> |
| <Bond atomName1="N" atomName2="HN1"/> |
| <Bond atomName1="N" atomName2="HN2"/> |
| <ExternalBond atomName="N"/> |
| </Residue> |
| <Residue name="NME"> |
| <Atom name="N" type="protein-N" charge="-0.4157"/> |
| <Atom name="H" type="protein-H" charge="0.2719"/> |
| <Atom name="CH3" type="protein-CT" charge="-0.149"/> |
| <Atom name="HH31" type="protein-H1" charge="0.0976"/> |
| <Atom name="HH32" type="protein-H1" charge="0.0976"/> |
| <Atom name="HH33" type="protein-H1" charge="0.0976"/> |
| <Bond atomName1="N" atomName2="H"/> |
| <Bond atomName1="N" atomName2="CH3"/> |
| <Bond atomName1="CH3" atomName2="HH31"/> |
| <Bond atomName1="CH3" atomName2="HH32"/> |
| <Bond atomName1="CH3" atomName2="HH33"/> |
| <ExternalBond atomName="N"/> |
| </Residue> |
| <Residue name="ACE"> |
| <Atom name="H1" type="protein-HC" charge="0.1123"/> |
| <Atom name="CH3" type="protein-CT" charge="-0.3662"/> |
| <Atom name="H2" type="protein-HC" charge="0.1123"/> |
| <Atom name="H3" type="protein-HC" charge="0.1123"/> |
| <Atom name="C" type="protein-C" charge="0.5972"/> |
| <Atom name="O" type="protein-O" charge="-0.5679"/> |
| <Bond atomName1="H1" atomName2="CH3"/> |
| <Bond atomName1="CH3" atomName2="H2"/> |
| <Bond atomName1="CH3" atomName2="H3"/> |
| <Bond atomName1="CH3" atomName2="C"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <ExternalBond atomName="C"/> |
| </Residue> |
| <Residue name="NALA"> |
| <Atom name="N" type="protein-N3" charge="0.1414"/> |
| <Atom name="H1" type="protein-H" charge="0.1997"/> |
| <Atom name="H2" type="protein-H" charge="0.1997"/> |
| <Atom name="H3" type="protein-H" charge="0.1997"/> |
| <Atom name="CA" type="protein-CX" charge="0.0962"/> |
| <Atom name="HA" type="protein-HP" charge="0.0889"/> |
| <Atom name="CB" type="protein-CT" charge="-0.0597"/> |
| <Atom name="HB1" type="protein-HC" charge="0.03"/> |
| <Atom name="HB2" type="protein-HC" charge="0.03"/> |
| <Atom name="HB3" type="protein-HC" charge="0.03"/> |
| <Atom name="C" type="protein-C" charge="0.6163"/> |
| <Atom name="O" type="protein-O" charge="-0.5722"/> |
| <Bond atomName1="N" atomName2="H1"/> |
| <Bond atomName1="N" atomName2="H2"/> |
| <Bond atomName1="N" atomName2="H3"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB1"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <ExternalBond atomName="C"/> |
| </Residue> |
| <Residue name="NARG"> |
| <Atom name="N" type="protein-N3" charge="0.1305"/> |
| <Atom name="H1" type="protein-H" charge="0.2083"/> |
| <Atom name="H2" type="protein-H" charge="0.2083"/> |
| <Atom name="H3" type="protein-H" charge="0.2083"/> |
| <Atom name="CA" type="protein-CX" charge="-0.0223"/> |
| <Atom name="HA" type="protein-HP" charge="0.1242"/> |
| <Atom name="CB" type="protein-C8" charge="0.0118"/> |
| <Atom name="HB2" type="protein-HC" charge="0.0226"/> |
| <Atom name="HB3" type="protein-HC" charge="0.0226"/> |
| <Atom name="CG" type="protein-C8" charge="0.0236"/> |
| <Atom name="HG2" type="protein-HC" charge="0.0309"/> |
| <Atom name="HG3" type="protein-HC" charge="0.0309"/> |
| <Atom name="CD" type="protein-C8" charge="0.0935"/> |
| <Atom name="HD2" type="protein-H1" charge="0.0527"/> |
| <Atom name="HD3" type="protein-H1" charge="0.0527"/> |
| <Atom name="NE" type="protein-N2" charge="-0.565"/> |
| <Atom name="HE" type="protein-H" charge="0.3592"/> |
| <Atom name="CZ" type="protein-CA" charge="0.8281"/> |
| <Atom name="NH1" type="protein-N2" charge="-0.8693"/> |
| <Atom name="HH11" type="protein-H" charge="0.4494"/> |
| <Atom name="HH12" type="protein-H" charge="0.4494"/> |
| <Atom name="NH2" type="protein-N2" charge="-0.8693"/> |
| <Atom name="HH21" type="protein-H" charge="0.4494"/> |
| <Atom name="HH22" type="protein-H" charge="0.4494"/> |
| <Atom name="C" type="protein-C" charge="0.7214"/> |
| <Atom name="O" type="protein-O" charge="-0.6013"/> |
| <Bond atomName1="N" atomName2="H1"/> |
| <Bond atomName1="N" atomName2="H2"/> |
| <Bond atomName1="N" atomName2="H3"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="CB" atomName2="CG"/> |
| <Bond atomName1="CG" atomName2="HG2"/> |
| <Bond atomName1="CG" atomName2="HG3"/> |
| <Bond atomName1="CG" atomName2="CD"/> |
| <Bond atomName1="CD" atomName2="HD2"/> |
| <Bond atomName1="CD" atomName2="HD3"/> |
| <Bond atomName1="CD" atomName2="NE"/> |
| <Bond atomName1="NE" atomName2="HE"/> |
| <Bond atomName1="NE" atomName2="CZ"/> |
| <Bond atomName1="CZ" atomName2="NH1"/> |
| <Bond atomName1="CZ" atomName2="NH2"/> |
| <Bond atomName1="NH1" atomName2="HH11"/> |
| <Bond atomName1="NH1" atomName2="HH12"/> |
| <Bond atomName1="NH2" atomName2="HH21"/> |
| <Bond atomName1="NH2" atomName2="HH22"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <ExternalBond atomName="C"/> |
| </Residue> |
| <Residue name="NASN"> |
| <Atom name="N" type="protein-N3" charge="0.1801"/> |
| <Atom name="H1" type="protein-H" charge="0.1921"/> |
| <Atom name="H2" type="protein-H" charge="0.1921"/> |
| <Atom name="H3" type="protein-H" charge="0.1921"/> |
| <Atom name="CA" type="protein-CX" charge="0.0368"/> |
| <Atom name="HA" type="protein-HP" charge="0.1231"/> |
| <Atom name="CB" type="protein-2C" charge="-0.0283"/> |
| <Atom name="HB2" type="protein-HC" charge="0.0515"/> |
| <Atom name="HB3" type="protein-HC" charge="0.0515"/> |
| <Atom name="CG" type="protein-C" charge="0.5833"/> |
| <Atom name="OD1" type="protein-O" charge="-0.5744"/> |
| <Atom name="ND2" type="protein-N" charge="-0.8634"/> |
| <Atom name="HD21" type="protein-H" charge="0.4097"/> |
| <Atom name="HD22" type="protein-H" charge="0.4097"/> |
| <Atom name="C" type="protein-C" charge="0.6163"/> |
| <Atom name="O" type="protein-O" charge="-0.5722"/> |
| <Bond atomName1="N" atomName2="H1"/> |
| <Bond atomName1="N" atomName2="H2"/> |
| <Bond atomName1="N" atomName2="H3"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="CB" atomName2="CG"/> |
| <Bond atomName1="CG" atomName2="OD1"/> |
| <Bond atomName1="CG" atomName2="ND2"/> |
| <Bond atomName1="ND2" atomName2="HD21"/> |
| <Bond atomName1="ND2" atomName2="HD22"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <ExternalBond atomName="C"/> |
| </Residue> |
| <Residue name="NASP"> |
| <Atom name="N" type="protein-N3" charge="0.0782"/> |
| <Atom name="H1" type="protein-H" charge="0.22"/> |
| <Atom name="H2" type="protein-H" charge="0.22"/> |
| <Atom name="H3" type="protein-H" charge="0.22"/> |
| <Atom name="CA" type="protein-CX" charge="0.0292"/> |
| <Atom name="HA" type="protein-HP" charge="0.1141"/> |
| <Atom name="CB" type="protein-2C" charge="-0.0235"/> |
| <Atom name="HB2" type="protein-HC" charge="-0.0169"/> |
| <Atom name="HB3" type="protein-HC" charge="-0.0169"/> |
| <Atom name="CG" type="protein-CO" charge="0.8194"/> |
| <Atom name="OD1" type="protein-O2" charge="-0.8084"/> |
| <Atom name="OD2" type="protein-O2" charge="-0.8084"/> |
| <Atom name="C" type="protein-C" charge="0.5621"/> |
| <Atom name="O" type="protein-O" charge="-0.5889"/> |
| <Bond atomName1="N" atomName2="H1"/> |
| <Bond atomName1="N" atomName2="H2"/> |
| <Bond atomName1="N" atomName2="H3"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="CB" atomName2="CG"/> |
| <Bond atomName1="CG" atomName2="OD1"/> |
| <Bond atomName1="CG" atomName2="OD2"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <ExternalBond atomName="C"/> |
| </Residue> |
| <Residue name="NCYS"> |
| <Atom name="N" type="protein-N3" charge="0.1325"/> |
| <Atom name="H1" type="protein-H" charge="0.2023"/> |
| <Atom name="H2" type="protein-H" charge="0.2023"/> |
| <Atom name="H3" type="protein-H" charge="0.2023"/> |
| <Atom name="CA" type="protein-CX" charge="0.0927"/> |
| <Atom name="HA" type="protein-HP" charge="0.1411"/> |
| <Atom name="CB" type="protein-2C" charge="-0.1195"/> |
| <Atom name="HB2" type="protein-H1" charge="0.1188"/> |
| <Atom name="HB3" type="protein-H1" charge="0.1188"/> |
| <Atom name="SG" type="protein-SH" charge="-0.3298"/> |
| <Atom name="HG" type="protein-HS" charge="0.1975"/> |
| <Atom name="C" type="protein-C" charge="0.6123"/> |
| <Atom name="O" type="protein-O" charge="-0.5713"/> |
| <Bond atomName1="N" atomName2="H1"/> |
| <Bond atomName1="N" atomName2="H2"/> |
| <Bond atomName1="N" atomName2="H3"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="CB" atomName2="SG"/> |
| <Bond atomName1="SG" atomName2="HG"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <ExternalBond atomName="C"/> |
| </Residue> |
| <Residue name="NCYX"> |
| <Atom name="N" type="protein-N3" charge="0.2069"/> |
| <Atom name="H1" type="protein-H" charge="0.1815"/> |
| <Atom name="H2" type="protein-H" charge="0.1815"/> |
| <Atom name="H3" type="protein-H" charge="0.1815"/> |
| <Atom name="CA" type="protein-CX" charge="0.1055"/> |
| <Atom name="HA" type="protein-HP" charge="0.0922"/> |
| <Atom name="CB" type="protein-2C" charge="-0.0277"/> |
| <Atom name="HB2" type="protein-H1" charge="0.068"/> |
| <Atom name="HB3" type="protein-H1" charge="0.068"/> |
| <Atom name="SG" type="protein-S" charge="-0.0984"/> |
| <Atom name="C" type="protein-C" charge="0.6123"/> |
| <Atom name="O" type="protein-O" charge="-0.5713"/> |
| <Bond atomName1="N" atomName2="H1"/> |
| <Bond atomName1="N" atomName2="H2"/> |
| <Bond atomName1="N" atomName2="H3"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="CB" atomName2="SG"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <ExternalBond atomName="SG"/> |
| <ExternalBond atomName="C"/> |
| </Residue> |
| <Residue name="NGLN"> |
| <Atom name="N" type="protein-N3" charge="0.1493"/> |
| <Atom name="H1" type="protein-H" charge="0.1996"/> |
| <Atom name="H2" type="protein-H" charge="0.1996"/> |
| <Atom name="H3" type="protein-H" charge="0.1996"/> |
| <Atom name="CA" type="protein-CX" charge="0.0536"/> |
| <Atom name="HA" type="protein-HP" charge="0.1015"/> |
| <Atom name="CB" type="protein-2C" charge="0.0651"/> |
| <Atom name="HB2" type="protein-HC" charge="0.005"/> |
| <Atom name="HB3" type="protein-HC" charge="0.005"/> |
| <Atom name="CG" type="protein-2C" charge="-0.0903"/> |
| <Atom name="HG2" type="protein-HC" charge="0.0331"/> |
| <Atom name="HG3" type="protein-HC" charge="0.0331"/> |
| <Atom name="CD" type="protein-C" charge="0.7354"/> |
| <Atom name="OE1" type="protein-O" charge="-0.6133"/> |
| <Atom name="NE2" type="protein-N" charge="-1.0031"/> |
| <Atom name="HE21" type="protein-H" charge="0.4429"/> |
| <Atom name="HE22" type="protein-H" charge="0.4429"/> |
| <Atom name="C" type="protein-C" charge="0.6123"/> |
| <Atom name="O" type="protein-O" charge="-0.5713"/> |
| <Bond atomName1="N" atomName2="H1"/> |
| <Bond atomName1="N" atomName2="H2"/> |
| <Bond atomName1="N" atomName2="H3"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="CB" atomName2="CG"/> |
| <Bond atomName1="CG" atomName2="HG2"/> |
| <Bond atomName1="CG" atomName2="HG3"/> |
| <Bond atomName1="CG" atomName2="CD"/> |
| <Bond atomName1="CD" atomName2="OE1"/> |
| <Bond atomName1="CD" atomName2="NE2"/> |
| <Bond atomName1="NE2" atomName2="HE21"/> |
| <Bond atomName1="NE2" atomName2="HE22"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <ExternalBond atomName="C"/> |
| </Residue> |
| <Residue name="NGLU"> |
| <Atom name="N" type="protein-N3" charge="0.0017"/> |
| <Atom name="H1" type="protein-H" charge="0.2391"/> |
| <Atom name="H2" type="protein-H" charge="0.2391"/> |
| <Atom name="H3" type="protein-H" charge="0.2391"/> |
| <Atom name="CA" type="protein-CX" charge="0.0588"/> |
| <Atom name="HA" type="protein-HP" charge="0.1202"/> |
| <Atom name="CB" type="protein-2C" charge="0.0909"/> |
| <Atom name="HB2" type="protein-HC" charge="-0.0232"/> |
| <Atom name="HB3" type="protein-HC" charge="-0.0232"/> |
| <Atom name="CG" type="protein-2C" charge="-0.0236"/> |
| <Atom name="HG2" type="protein-HC" charge="-0.0315"/> |
| <Atom name="HG3" type="protein-HC" charge="-0.0315"/> |
| <Atom name="CD" type="protein-CO" charge="0.8087"/> |
| <Atom name="OE1" type="protein-O2" charge="-0.8189"/> |
| <Atom name="OE2" type="protein-O2" charge="-0.8189"/> |
| <Atom name="C" type="protein-C" charge="0.5621"/> |
| <Atom name="O" type="protein-O" charge="-0.5889"/> |
| <Bond atomName1="N" atomName2="H1"/> |
| <Bond atomName1="N" atomName2="H2"/> |
| <Bond atomName1="N" atomName2="H3"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="CB" atomName2="CG"/> |
| <Bond atomName1="CG" atomName2="HG2"/> |
| <Bond atomName1="CG" atomName2="HG3"/> |
| <Bond atomName1="CG" atomName2="CD"/> |
| <Bond atomName1="CD" atomName2="OE1"/> |
| <Bond atomName1="CD" atomName2="OE2"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <ExternalBond atomName="C"/> |
| </Residue> |
| <Residue name="NGLY"> |
| <Atom name="N" type="protein-N3" charge="0.2943"/> |
| <Atom name="H1" type="protein-H" charge="0.1642"/> |
| <Atom name="H2" type="protein-H" charge="0.1642"/> |
| <Atom name="H3" type="protein-H" charge="0.1642"/> |
| <Atom name="CA" type="protein-CX" charge="-0.01"/> |
| <Atom name="HA2" type="protein-HP" charge="0.0895"/> |
| <Atom name="HA3" type="protein-HP" charge="0.0895"/> |
| <Atom name="C" type="protein-C" charge="0.6163"/> |
| <Atom name="O" type="protein-O" charge="-0.5722"/> |
| <Bond atomName1="N" atomName2="H1"/> |
| <Bond atomName1="N" atomName2="H2"/> |
| <Bond atomName1="N" atomName2="H3"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA2"/> |
| <Bond atomName1="CA" atomName2="HA3"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <ExternalBond atomName="C"/> |
| </Residue> |
| <Residue name="NHID"> |
| <Atom name="N" type="protein-N3" charge="0.1542"/> |
| <Atom name="H1" type="protein-H" charge="0.1963"/> |
| <Atom name="H2" type="protein-H" charge="0.1963"/> |
| <Atom name="H3" type="protein-H" charge="0.1963"/> |
| <Atom name="CA" type="protein-CX" charge="0.0964"/> |
| <Atom name="HA" type="protein-HP" charge="0.0958"/> |
| <Atom name="CB" type="protein-CT" charge="0.0259"/> |
| <Atom name="HB2" type="protein-HC" charge="0.0209"/> |
| <Atom name="HB3" type="protein-HC" charge="0.0209"/> |
| <Atom name="CG" type="protein-CC" charge="-0.0399"/> |
| <Atom name="ND1" type="protein-NA" charge="-0.3819"/> |
| <Atom name="HD1" type="protein-H" charge="0.3632"/> |
| <Atom name="CE1" type="protein-CR" charge="0.2127"/> |
| <Atom name="HE1" type="protein-H5" charge="0.1385"/> |
| <Atom name="NE2" type="protein-NB" charge="-0.5711"/> |
| <Atom name="CD2" type="protein-CV" charge="0.1046"/> |
| <Atom name="HD2" type="protein-H4" charge="0.1299"/> |
| <Atom name="C" type="protein-C" charge="0.6123"/> |
| <Atom name="O" type="protein-O" charge="-0.5713"/> |
| <Bond atomName1="N" atomName2="H1"/> |
| <Bond atomName1="N" atomName2="H2"/> |
| <Bond atomName1="N" atomName2="H3"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="CB" atomName2="CG"/> |
| <Bond atomName1="CG" atomName2="ND1"/> |
| <Bond atomName1="CG" atomName2="CD2"/> |
| <Bond atomName1="ND1" atomName2="HD1"/> |
| <Bond atomName1="ND1" atomName2="CE1"/> |
| <Bond atomName1="CE1" atomName2="HE1"/> |
| <Bond atomName1="CE1" atomName2="NE2"/> |
| <Bond atomName1="NE2" atomName2="CD2"/> |
| <Bond atomName1="CD2" atomName2="HD2"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <ExternalBond atomName="C"/> |
| </Residue> |
| <Residue name="NHIE"> |
| <Atom name="N" type="protein-N3" charge="0.1472"/> |
| <Atom name="H1" type="protein-H" charge="0.2016"/> |
| <Atom name="H2" type="protein-H" charge="0.2016"/> |
| <Atom name="H3" type="protein-H" charge="0.2016"/> |
| <Atom name="CA" type="protein-CX" charge="0.0236"/> |
| <Atom name="HA" type="protein-HP" charge="0.138"/> |
| <Atom name="CB" type="protein-CT" charge="0.0489"/> |
| <Atom name="HB2" type="protein-HC" charge="0.0223"/> |
| <Atom name="HB3" type="protein-HC" charge="0.0223"/> |
| <Atom name="CG" type="protein-CC" charge="0.174"/> |
| <Atom name="ND1" type="protein-NB" charge="-0.5579"/> |
| <Atom name="CE1" type="protein-CR" charge="0.1804"/> |
| <Atom name="HE1" type="protein-H5" charge="0.1397"/> |
| <Atom name="NE2" type="protein-NA" charge="-0.2781"/> |
| <Atom name="HE2" type="protein-H" charge="0.3324"/> |
| <Atom name="CD2" type="protein-CW" charge="-0.2349"/> |
| <Atom name="HD2" type="protein-H4" charge="0.1963"/> |
| <Atom name="C" type="protein-C" charge="0.6123"/> |
| <Atom name="O" type="protein-O" charge="-0.5713"/> |
| <Bond atomName1="N" atomName2="H1"/> |
| <Bond atomName1="N" atomName2="H2"/> |
| <Bond atomName1="N" atomName2="H3"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="CB" atomName2="CG"/> |
| <Bond atomName1="CG" atomName2="ND1"/> |
| <Bond atomName1="CG" atomName2="CD2"/> |
| <Bond atomName1="ND1" atomName2="CE1"/> |
| <Bond atomName1="CE1" atomName2="HE1"/> |
| <Bond atomName1="CE1" atomName2="NE2"/> |
| <Bond atomName1="NE2" atomName2="HE2"/> |
| <Bond atomName1="NE2" atomName2="CD2"/> |
| <Bond atomName1="CD2" atomName2="HD2"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <ExternalBond atomName="C"/> |
| </Residue> |
| <Residue name="NHIP"> |
| <Atom name="N" type="protein-N3" charge="0.256"/> |
| <Atom name="H1" type="protein-H" charge="0.1704"/> |
| <Atom name="H2" type="protein-H" charge="0.1704"/> |
| <Atom name="H3" type="protein-H" charge="0.1704"/> |
| <Atom name="CA" type="protein-CX" charge="0.0581"/> |
| <Atom name="HA" type="protein-HP" charge="0.1047"/> |
| <Atom name="CB" type="protein-CT" charge="0.0484"/> |
| <Atom name="HB2" type="protein-HC" charge="0.0531"/> |
| <Atom name="HB3" type="protein-HC" charge="0.0531"/> |
| <Atom name="CG" type="protein-CC" charge="-0.0236"/> |
| <Atom name="ND1" type="protein-NA" charge="-0.151"/> |
| <Atom name="HD1" type="protein-H" charge="0.3821"/> |
| <Atom name="CE1" type="protein-CR" charge="-0.0011"/> |
| <Atom name="HE1" type="protein-H5" charge="0.2645"/> |
| <Atom name="NE2" type="protein-NA" charge="-0.1739"/> |
| <Atom name="HE2" type="protein-H" charge="0.3921"/> |
| <Atom name="CD2" type="protein-CW" charge="-0.1433"/> |
| <Atom name="HD2" type="protein-H4" charge="0.2495"/> |
| <Atom name="C" type="protein-C" charge="0.7214"/> |
| <Atom name="O" type="protein-O" charge="-0.6013"/> |
| <Bond atomName1="N" atomName2="H1"/> |
| <Bond atomName1="N" atomName2="H2"/> |
| <Bond atomName1="N" atomName2="H3"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="CB" atomName2="CG"/> |
| <Bond atomName1="CG" atomName2="ND1"/> |
| <Bond atomName1="CG" atomName2="CD2"/> |
| <Bond atomName1="ND1" atomName2="HD1"/> |
| <Bond atomName1="ND1" atomName2="CE1"/> |
| <Bond atomName1="CE1" atomName2="HE1"/> |
| <Bond atomName1="CE1" atomName2="NE2"/> |
| <Bond atomName1="NE2" atomName2="HE2"/> |
| <Bond atomName1="NE2" atomName2="CD2"/> |
| <Bond atomName1="CD2" atomName2="HD2"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <ExternalBond atomName="C"/> |
| </Residue> |
| <Residue name="NILE"> |
| <Atom name="N" type="protein-N3" charge="0.0311"/> |
| <Atom name="H1" type="protein-H" charge="0.2329"/> |
| <Atom name="H2" type="protein-H" charge="0.2329"/> |
| <Atom name="H3" type="protein-H" charge="0.2329"/> |
| <Atom name="CA" type="protein-CX" charge="0.0257"/> |
| <Atom name="HA" type="protein-HP" charge="0.1031"/> |
| <Atom name="CB" type="protein-3C" charge="0.1885"/> |
| <Atom name="HB" type="protein-HC" charge="0.0213"/> |
| <Atom name="CG2" type="protein-CT" charge="-0.372"/> |
| <Atom name="HG21" type="protein-HC" charge="0.0947"/> |
| <Atom name="HG22" type="protein-HC" charge="0.0947"/> |
| <Atom name="HG23" type="protein-HC" charge="0.0947"/> |
| <Atom name="CG1" type="protein-2C" charge="-0.0387"/> |
| <Atom name="HG12" type="protein-HC" charge="0.0201"/> |
| <Atom name="HG13" type="protein-HC" charge="0.0201"/> |
| <Atom name="CD1" type="protein-CT" charge="-0.0908"/> |
| <Atom name="HD11" type="protein-HC" charge="0.0226"/> |
| <Atom name="HD12" type="protein-HC" charge="0.0226"/> |
| <Atom name="HD13" type="protein-HC" charge="0.0226"/> |
| <Atom name="C" type="protein-C" charge="0.6123"/> |
| <Atom name="O" type="protein-O" charge="-0.5713"/> |
| <Bond atomName1="N" atomName2="H1"/> |
| <Bond atomName1="N" atomName2="H2"/> |
| <Bond atomName1="N" atomName2="H3"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB"/> |
| <Bond atomName1="CB" atomName2="CG2"/> |
| <Bond atomName1="CB" atomName2="CG1"/> |
| <Bond atomName1="CG2" atomName2="HG21"/> |
| <Bond atomName1="CG2" atomName2="HG22"/> |
| <Bond atomName1="CG2" atomName2="HG23"/> |
| <Bond atomName1="CG1" atomName2="HG12"/> |
| <Bond atomName1="CG1" atomName2="HG13"/> |
| <Bond atomName1="CG1" atomName2="CD1"/> |
| <Bond atomName1="CD1" atomName2="HD11"/> |
| <Bond atomName1="CD1" atomName2="HD12"/> |
| <Bond atomName1="CD1" atomName2="HD13"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <ExternalBond atomName="C"/> |
| </Residue> |
| <Residue name="NLEU"> |
| <Atom name="N" type="protein-N3" charge="0.101"/> |
| <Atom name="H1" type="protein-H" charge="0.2148"/> |
| <Atom name="H2" type="protein-H" charge="0.2148"/> |
| <Atom name="H3" type="protein-H" charge="0.2148"/> |
| <Atom name="CA" type="protein-CX" charge="0.0104"/> |
| <Atom name="HA" type="protein-HP" charge="0.1053"/> |
| <Atom name="CB" type="protein-2C" charge="-0.0244"/> |
| <Atom name="HB2" type="protein-HC" charge="0.0256"/> |
| <Atom name="HB3" type="protein-HC" charge="0.0256"/> |
| <Atom name="CG" type="protein-3C" charge="0.3421"/> |
| <Atom name="HG" type="protein-HC" charge="-0.038"/> |
| <Atom name="CD1" type="protein-CT" charge="-0.4106"/> |
| <Atom name="HD11" type="protein-HC" charge="0.098"/> |
| <Atom name="HD12" type="protein-HC" charge="0.098"/> |
| <Atom name="HD13" type="protein-HC" charge="0.098"/> |
| <Atom name="CD2" type="protein-CT" charge="-0.4104"/> |
| <Atom name="HD21" type="protein-HC" charge="0.098"/> |
| <Atom name="HD22" type="protein-HC" charge="0.098"/> |
| <Atom name="HD23" type="protein-HC" charge="0.098"/> |
| <Atom name="C" type="protein-C" charge="0.6123"/> |
| <Atom name="O" type="protein-O" charge="-0.5713"/> |
| <Bond atomName1="N" atomName2="H1"/> |
| <Bond atomName1="N" atomName2="H2"/> |
| <Bond atomName1="N" atomName2="H3"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="CB" atomName2="CG"/> |
| <Bond atomName1="CG" atomName2="HG"/> |
| <Bond atomName1="CG" atomName2="CD1"/> |
| <Bond atomName1="CG" atomName2="CD2"/> |
| <Bond atomName1="CD1" atomName2="HD11"/> |
| <Bond atomName1="CD1" atomName2="HD12"/> |
| <Bond atomName1="CD1" atomName2="HD13"/> |
| <Bond atomName1="CD2" atomName2="HD21"/> |
| <Bond atomName1="CD2" atomName2="HD22"/> |
| <Bond atomName1="CD2" atomName2="HD23"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <ExternalBond atomName="C"/> |
| </Residue> |
| <Residue name="NLYS"> |
| <Atom name="N" type="protein-N3" charge="0.0966"/> |
| <Atom name="H1" type="protein-H" charge="0.2165"/> |
| <Atom name="H2" type="protein-H" charge="0.2165"/> |
| <Atom name="H3" type="protein-H" charge="0.2165"/> |
| <Atom name="CA" type="protein-CX" charge="-0.0015"/> |
| <Atom name="HA" type="protein-HP" charge="0.118"/> |
| <Atom name="CB" type="protein-C8" charge="0.0212"/> |
| <Atom name="HB2" type="protein-HC" charge="0.0283"/> |
| <Atom name="HB3" type="protein-HC" charge="0.0283"/> |
| <Atom name="CG" type="protein-C8" charge="-0.0048"/> |
| <Atom name="HG2" type="protein-HC" charge="0.0121"/> |
| <Atom name="HG3" type="protein-HC" charge="0.0121"/> |
| <Atom name="CD" type="protein-C8" charge="-0.0608"/> |
| <Atom name="HD2" type="protein-HC" charge="0.0633"/> |
| <Atom name="HD3" type="protein-HC" charge="0.0633"/> |
| <Atom name="CE" type="protein-C8" charge="-0.0181"/> |
| <Atom name="HE2" type="protein-HP" charge="0.1171"/> |
| <Atom name="HE3" type="protein-HP" charge="0.1171"/> |
| <Atom name="NZ" type="protein-N3" charge="-0.3764"/> |
| <Atom name="HZ1" type="protein-H" charge="0.3382"/> |
| <Atom name="HZ2" type="protein-H" charge="0.3382"/> |
| <Atom name="HZ3" type="protein-H" charge="0.3382"/> |
| <Atom name="C" type="protein-C" charge="0.7214"/> |
| <Atom name="O" type="protein-O" charge="-0.6013"/> |
| <Bond atomName1="N" atomName2="H1"/> |
| <Bond atomName1="N" atomName2="H2"/> |
| <Bond atomName1="N" atomName2="H3"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="CB" atomName2="CG"/> |
| <Bond atomName1="CG" atomName2="HG2"/> |
| <Bond atomName1="CG" atomName2="HG3"/> |
| <Bond atomName1="CG" atomName2="CD"/> |
| <Bond atomName1="CD" atomName2="HD2"/> |
| <Bond atomName1="CD" atomName2="HD3"/> |
| <Bond atomName1="CD" atomName2="CE"/> |
| <Bond atomName1="CE" atomName2="HE2"/> |
| <Bond atomName1="CE" atomName2="HE3"/> |
| <Bond atomName1="CE" atomName2="NZ"/> |
| <Bond atomName1="NZ" atomName2="HZ1"/> |
| <Bond atomName1="NZ" atomName2="HZ2"/> |
| <Bond atomName1="NZ" atomName2="HZ3"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <ExternalBond atomName="C"/> |
| </Residue> |
| <Residue name="NMET"> |
| <Atom name="N" type="protein-N3" charge="0.1592"/> |
| <Atom name="H1" type="protein-H" charge="0.1984"/> |
| <Atom name="H2" type="protein-H" charge="0.1984"/> |
| <Atom name="H3" type="protein-H" charge="0.1984"/> |
| <Atom name="CA" type="protein-CX" charge="0.0221"/> |
| <Atom name="HA" type="protein-HP" charge="0.1116"/> |
| <Atom name="CB" type="protein-2C" charge="0.0865"/> |
| <Atom name="HB2" type="protein-HC" charge="0.0125"/> |
| <Atom name="HB3" type="protein-HC" charge="0.0125"/> |
| <Atom name="CG" type="protein-2C" charge="0.0334"/> |
| <Atom name="HG2" type="protein-H1" charge="0.0292"/> |
| <Atom name="HG3" type="protein-H1" charge="0.0292"/> |
| <Atom name="SD" type="protein-S" charge="-0.2774"/> |
| <Atom name="CE" type="protein-CT" charge="-0.0341"/> |
| <Atom name="HE1" type="protein-H1" charge="0.0597"/> |
| <Atom name="HE2" type="protein-H1" charge="0.0597"/> |
| <Atom name="HE3" type="protein-H1" charge="0.0597"/> |
| <Atom name="C" type="protein-C" charge="0.6123"/> |
| <Atom name="O" type="protein-O" charge="-0.5713"/> |
| <Bond atomName1="N" atomName2="H1"/> |
| <Bond atomName1="N" atomName2="H2"/> |
| <Bond atomName1="N" atomName2="H3"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="CB" atomName2="CG"/> |
| <Bond atomName1="CG" atomName2="HG2"/> |
| <Bond atomName1="CG" atomName2="HG3"/> |
| <Bond atomName1="CG" atomName2="SD"/> |
| <Bond atomName1="SD" atomName2="CE"/> |
| <Bond atomName1="CE" atomName2="HE1"/> |
| <Bond atomName1="CE" atomName2="HE2"/> |
| <Bond atomName1="CE" atomName2="HE3"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <ExternalBond atomName="C"/> |
| </Residue> |
| <Residue name="NPHE"> |
| <Atom name="N" type="protein-N3" charge="0.1737"/> |
| <Atom name="H1" type="protein-H" charge="0.1921"/> |
| <Atom name="H2" type="protein-H" charge="0.1921"/> |
| <Atom name="H3" type="protein-H" charge="0.1921"/> |
| <Atom name="CA" type="protein-CX" charge="0.0733"/> |
| <Atom name="HA" type="protein-HP" charge="0.1041"/> |
| <Atom name="CB" type="protein-CT" charge="0.033"/> |
| <Atom name="HB2" type="protein-HC" charge="0.0104"/> |
| <Atom name="HB3" type="protein-HC" charge="0.0104"/> |
| <Atom name="CG" type="protein-CA" charge="0.0031"/> |
| <Atom name="CD1" type="protein-CA" charge="-0.1392"/> |
| <Atom name="HD1" type="protein-HA" charge="0.1374"/> |
| <Atom name="CE1" type="protein-CA" charge="-0.1602"/> |
| <Atom name="HE1" type="protein-HA" charge="0.1433"/> |
| <Atom name="CZ" type="protein-CA" charge="-0.1208"/> |
| <Atom name="HZ" type="protein-HA" charge="0.1329"/> |
| <Atom name="CE2" type="protein-CA" charge="-0.1603"/> |
| <Atom name="HE2" type="protein-HA" charge="0.1433"/> |
| <Atom name="CD2" type="protein-CA" charge="-0.1391"/> |
| <Atom name="HD2" type="protein-HA" charge="0.1374"/> |
| <Atom name="C" type="protein-C" charge="0.6123"/> |
| <Atom name="O" type="protein-O" charge="-0.5713"/> |
| <Bond atomName1="N" atomName2="H1"/> |
| <Bond atomName1="N" atomName2="H2"/> |
| <Bond atomName1="N" atomName2="H3"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="CB" atomName2="CG"/> |
| <Bond atomName1="CG" atomName2="CD1"/> |
| <Bond atomName1="CG" atomName2="CD2"/> |
| <Bond atomName1="CD1" atomName2="HD1"/> |
| <Bond atomName1="CD1" atomName2="CE1"/> |
| <Bond atomName1="CE1" atomName2="HE1"/> |
| <Bond atomName1="CE1" atomName2="CZ"/> |
| <Bond atomName1="CZ" atomName2="HZ"/> |
| <Bond atomName1="CZ" atomName2="CE2"/> |
| <Bond atomName1="CE2" atomName2="HE2"/> |
| <Bond atomName1="CE2" atomName2="CD2"/> |
| <Bond atomName1="CD2" atomName2="HD2"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <ExternalBond atomName="C"/> |
| </Residue> |
| <Residue name="NPRO"> |
| <Atom name="N" type="protein-N3" charge="-0.202"/> |
| <Atom name="H2" type="protein-H" charge="0.312"/> |
| <Atom name="H3" type="protein-H" charge="0.312"/> |
| <Atom name="CD" type="protein-CT" charge="-0.012"/> |
| <Atom name="HD2" type="protein-HP" charge="0.1"/> |
| <Atom name="HD3" type="protein-HP" charge="0.1"/> |
| <Atom name="CG" type="protein-CT" charge="-0.121"/> |
| <Atom name="HG2" type="protein-HC" charge="0.1"/> |
| <Atom name="HG3" type="protein-HC" charge="0.1"/> |
| <Atom name="CB" type="protein-CT" charge="-0.115"/> |
| <Atom name="HB2" type="protein-HC" charge="0.1"/> |
| <Atom name="HB3" type="protein-HC" charge="0.1"/> |
| <Atom name="CA" type="protein-CX" charge="0.1"/> |
| <Atom name="HA" type="protein-HP" charge="0.1"/> |
| <Atom name="C" type="protein-C" charge="0.526"/> |
| <Atom name="O" type="protein-O" charge="-0.5"/> |
| <Bond atomName1="N" atomName2="H2"/> |
| <Bond atomName1="N" atomName2="H3"/> |
| <Bond atomName1="N" atomName2="CD"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CD" atomName2="HD2"/> |
| <Bond atomName1="CD" atomName2="HD3"/> |
| <Bond atomName1="CD" atomName2="CG"/> |
| <Bond atomName1="CG" atomName2="HG2"/> |
| <Bond atomName1="CG" atomName2="HG3"/> |
| <Bond atomName1="CG" atomName2="CB"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="CB" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <ExternalBond atomName="C"/> |
| </Residue> |
| <Residue name="NSER"> |
| <Atom name="N" type="protein-N3" charge="0.1849"/> |
| <Atom name="H1" type="protein-H" charge="0.1898"/> |
| <Atom name="H2" type="protein-H" charge="0.1898"/> |
| <Atom name="H3" type="protein-H" charge="0.1898"/> |
| <Atom name="CA" type="protein-CX" charge="0.0567"/> |
| <Atom name="HA" type="protein-HP" charge="0.0782"/> |
| <Atom name="CB" type="protein-2C" charge="0.2596"/> |
| <Atom name="HB2" type="protein-H1" charge="0.0273"/> |
| <Atom name="HB3" type="protein-H1" charge="0.0273"/> |
| <Atom name="OG" type="protein-OH" charge="-0.6714"/> |
| <Atom name="HG" type="protein-HO" charge="0.4239"/> |
| <Atom name="C" type="protein-C" charge="0.6163"/> |
| <Atom name="O" type="protein-O" charge="-0.5722"/> |
| <Bond atomName1="N" atomName2="H1"/> |
| <Bond atomName1="N" atomName2="H2"/> |
| <Bond atomName1="N" atomName2="H3"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="CB" atomName2="OG"/> |
| <Bond atomName1="OG" atomName2="HG"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <ExternalBond atomName="C"/> |
| </Residue> |
| <Residue name="NTHR"> |
| <Atom name="N" type="protein-N3" charge="0.1812"/> |
| <Atom name="H1" type="protein-H" charge="0.1934"/> |
| <Atom name="H2" type="protein-H" charge="0.1934"/> |
| <Atom name="H3" type="protein-H" charge="0.1934"/> |
| <Atom name="CA" type="protein-CX" charge="0.0034"/> |
| <Atom name="HA" type="protein-HP" charge="0.1087"/> |
| <Atom name="CB" type="protein-3C" charge="0.4514"/> |
| <Atom name="HB" type="protein-H1" charge="-0.0323"/> |
| <Atom name="CG2" type="protein-CT" charge="-0.2554"/> |
| <Atom name="HG21" type="protein-HC" charge="0.0627"/> |
| <Atom name="HG22" type="protein-HC" charge="0.0627"/> |
| <Atom name="HG23" type="protein-HC" charge="0.0627"/> |
| <Atom name="OG1" type="protein-OH" charge="-0.6764"/> |
| <Atom name="HG1" type="protein-HO" charge="0.407"/> |
| <Atom name="C" type="protein-C" charge="0.6163"/> |
| <Atom name="O" type="protein-O" charge="-0.5722"/> |
| <Bond atomName1="N" atomName2="H1"/> |
| <Bond atomName1="N" atomName2="H2"/> |
| <Bond atomName1="N" atomName2="H3"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB"/> |
| <Bond atomName1="CB" atomName2="CG2"/> |
| <Bond atomName1="CB" atomName2="OG1"/> |
| <Bond atomName1="CG2" atomName2="HG21"/> |
| <Bond atomName1="CG2" atomName2="HG22"/> |
| <Bond atomName1="CG2" atomName2="HG23"/> |
| <Bond atomName1="OG1" atomName2="HG1"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <ExternalBond atomName="C"/> |
| </Residue> |
| <Residue name="NTRP"> |
| <Atom name="N" type="protein-N3" charge="0.1913"/> |
| <Atom name="H1" type="protein-H" charge="0.1888"/> |
| <Atom name="H2" type="protein-H" charge="0.1888"/> |
| <Atom name="H3" type="protein-H" charge="0.1888"/> |
| <Atom name="CA" type="protein-CX" charge="0.0421"/> |
| <Atom name="HA" type="protein-HP" charge="0.1162"/> |
| <Atom name="CB" type="protein-CT" charge="0.0543"/> |
| <Atom name="HB2" type="protein-HC" charge="0.0222"/> |
| <Atom name="HB3" type="protein-HC" charge="0.0222"/> |
| <Atom name="CG" type="protein-C*" charge="-0.1654"/> |
| <Atom name="CD1" type="protein-CW" charge="-0.1788"/> |
| <Atom name="HD1" type="protein-H4" charge="0.2195"/> |
| <Atom name="NE1" type="protein-NA" charge="-0.3444"/> |
| <Atom name="HE1" type="protein-H" charge="0.3412"/> |
| <Atom name="CE2" type="protein-CN" charge="0.1575"/> |
| <Atom name="CZ2" type="protein-CA" charge="-0.271"/> |
| <Atom name="HZ2" type="protein-HA" charge="0.1589"/> |
| <Atom name="CH2" type="protein-CA" charge="-0.108"/> |
| <Atom name="HH2" type="protein-HA" charge="0.1411"/> |
| <Atom name="CZ3" type="protein-CA" charge="-0.2034"/> |
| <Atom name="HZ3" type="protein-HA" charge="0.1458"/> |
| <Atom name="CE3" type="protein-CA" charge="-0.2265"/> |
| <Atom name="HE3" type="protein-HA" charge="0.1646"/> |
| <Atom name="CD2" type="protein-CB" charge="0.1132"/> |
| <Atom name="C" type="protein-C" charge="0.6123"/> |
| <Atom name="O" type="protein-O" charge="-0.5713"/> |
| <Bond atomName1="N" atomName2="H1"/> |
| <Bond atomName1="N" atomName2="H2"/> |
| <Bond atomName1="N" atomName2="H3"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="CB" atomName2="CG"/> |
| <Bond atomName1="CG" atomName2="CD1"/> |
| <Bond atomName1="CG" atomName2="CD2"/> |
| <Bond atomName1="CD1" atomName2="HD1"/> |
| <Bond atomName1="CD1" atomName2="NE1"/> |
| <Bond atomName1="NE1" atomName2="HE1"/> |
| <Bond atomName1="NE1" atomName2="CE2"/> |
| <Bond atomName1="CE2" atomName2="CZ2"/> |
| <Bond atomName1="CE2" atomName2="CD2"/> |
| <Bond atomName1="CZ2" atomName2="HZ2"/> |
| <Bond atomName1="CZ2" atomName2="CH2"/> |
| <Bond atomName1="CH2" atomName2="HH2"/> |
| <Bond atomName1="CH2" atomName2="CZ3"/> |
| <Bond atomName1="CZ3" atomName2="HZ3"/> |
| <Bond atomName1="CZ3" atomName2="CE3"/> |
| <Bond atomName1="CE3" atomName2="HE3"/> |
| <Bond atomName1="CE3" atomName2="CD2"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <ExternalBond atomName="C"/> |
| </Residue> |
| <Residue name="NTYR"> |
| <Atom name="N" type="protein-N3" charge="0.194"/> |
| <Atom name="H1" type="protein-H" charge="0.1873"/> |
| <Atom name="H2" type="protein-H" charge="0.1873"/> |
| <Atom name="H3" type="protein-H" charge="0.1873"/> |
| <Atom name="CA" type="protein-CX" charge="0.057"/> |
| <Atom name="HA" type="protein-HP" charge="0.0983"/> |
| <Atom name="CB" type="protein-CT" charge="0.0659"/> |
| <Atom name="HB2" type="protein-HC" charge="0.0102"/> |
| <Atom name="HB3" type="protein-HC" charge="0.0102"/> |
| <Atom name="CG" type="protein-CA" charge="-0.0205"/> |
| <Atom name="CD1" type="protein-CA" charge="-0.2002"/> |
| <Atom name="HD1" type="protein-HA" charge="0.172"/> |
| <Atom name="CE1" type="protein-CA" charge="-0.2239"/> |
| <Atom name="HE1" type="protein-HA" charge="0.165"/> |
| <Atom name="CZ" type="protein-C" charge="0.3139"/> |
| <Atom name="OH" type="protein-OH" charge="-0.5578"/> |
| <Atom name="HH" type="protein-HO" charge="0.4001"/> |
| <Atom name="CE2" type="protein-CA" charge="-0.2239"/> |
| <Atom name="HE2" type="protein-HA" charge="0.165"/> |
| <Atom name="CD2" type="protein-CA" charge="-0.2002"/> |
| <Atom name="HD2" type="protein-HA" charge="0.172"/> |
| <Atom name="C" type="protein-C" charge="0.6123"/> |
| <Atom name="O" type="protein-O" charge="-0.5713"/> |
| <Bond atomName1="N" atomName2="H1"/> |
| <Bond atomName1="N" atomName2="H2"/> |
| <Bond atomName1="N" atomName2="H3"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB2"/> |
| <Bond atomName1="CB" atomName2="HB3"/> |
| <Bond atomName1="CB" atomName2="CG"/> |
| <Bond atomName1="CG" atomName2="CD1"/> |
| <Bond atomName1="CG" atomName2="CD2"/> |
| <Bond atomName1="CD1" atomName2="HD1"/> |
| <Bond atomName1="CD1" atomName2="CE1"/> |
| <Bond atomName1="CE1" atomName2="HE1"/> |
| <Bond atomName1="CE1" atomName2="CZ"/> |
| <Bond atomName1="CZ" atomName2="OH"/> |
| <Bond atomName1="CZ" atomName2="CE2"/> |
| <Bond atomName1="OH" atomName2="HH"/> |
| <Bond atomName1="CE2" atomName2="HE2"/> |
| <Bond atomName1="CE2" atomName2="CD2"/> |
| <Bond atomName1="CD2" atomName2="HD2"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <ExternalBond atomName="C"/> |
| </Residue> |
| <Residue name="NVAL"> |
| <Atom name="N" type="protein-N3" charge="0.0577"/> |
| <Atom name="H1" type="protein-H" charge="0.2272"/> |
| <Atom name="H2" type="protein-H" charge="0.2272"/> |
| <Atom name="H3" type="protein-H" charge="0.2272"/> |
| <Atom name="CA" type="protein-CX" charge="-0.0054"/> |
| <Atom name="HA" type="protein-HP" charge="0.1093"/> |
| <Atom name="CB" type="protein-3C" charge="0.3196"/> |
| <Atom name="HB" type="protein-HC" charge="-0.0221"/> |
| <Atom name="CG1" type="protein-CT" charge="-0.3129"/> |
| <Atom name="HG11" type="protein-HC" charge="0.0735"/> |
| <Atom name="HG12" type="protein-HC" charge="0.0735"/> |
| <Atom name="HG13" type="protein-HC" charge="0.0735"/> |
| <Atom name="CG2" type="protein-CT" charge="-0.3129"/> |
| <Atom name="HG21" type="protein-HC" charge="0.0735"/> |
| <Atom name="HG22" type="protein-HC" charge="0.0735"/> |
| <Atom name="HG23" type="protein-HC" charge="0.0735"/> |
| <Atom name="C" type="protein-C" charge="0.6163"/> |
| <Atom name="O" type="protein-O" charge="-0.5722"/> |
| <Bond atomName1="N" atomName2="H1"/> |
| <Bond atomName1="N" atomName2="H2"/> |
| <Bond atomName1="N" atomName2="H3"/> |
| <Bond atomName1="N" atomName2="CA"/> |
| <Bond atomName1="CA" atomName2="HA"/> |
| <Bond atomName1="CA" atomName2="CB"/> |
| <Bond atomName1="CA" atomName2="C"/> |
| <Bond atomName1="CB" atomName2="HB"/> |
| <Bond atomName1="CB" atomName2="CG1"/> |
| <Bond atomName1="CB" atomName2="CG2"/> |
| <Bond atomName1="CG1" atomName2="HG11"/> |
| <Bond atomName1="CG1" atomName2="HG12"/> |
| <Bond atomName1="CG1" atomName2="HG13"/> |
| <Bond atomName1="CG2" atomName2="HG21"/> |
| <Bond atomName1="CG2" atomName2="HG22"/> |
| <Bond atomName1="CG2" atomName2="HG23"/> |
| <Bond atomName1="C" atomName2="O"/> |
| <ExternalBond atomName="C"/> |
| </Residue> |
| </Residues> |
| <HarmonicBondForce> |
| <Bond type1="protein-C" type2="protein-C" length="0.1525" k="259407.99999999994"/> |
| <Bond type1="protein-C" type2="protein-CA" length="0.1409" k="392459.19999999995"/> |
| <Bond type1="protein-C" type2="protein-CB" length="0.1419" k="374049.5999999999"/> |
| <Bond type1="protein-C" type2="protein-CT" length="0.1522" k="265265.6"/> |
| <Bond type1="protein-C" type2="protein-CX" length="0.1522" k="265265.6"/> |
| <Bond type1="protein-C" type2="protein-N" length="0.1335" k="410031.99999999994"/> |
| <Bond type1="protein-C" type2="protein-NA" length="0.1388" k="349782.3999999999"/> |
| <Bond type1="protein-C" type2="protein-O" length="0.12290000000000001" k="476975.9999999999"/> |
| <Bond type1="protein-C" type2="protein-O2" length="0.125" k="548940.7999999999"/> |
| <Bond type1="protein-C" type2="protein-OH" length="0.13640000000000002" k="376559.99999999994"/> |
| <Bond type1="protein-C" type2="protein-H4" length="0.10800000000000001" k="307105.5999999999"/> |
| <Bond type1="protein-C" type2="protein-H5" length="0.10800000000000001" k="307105.5999999999"/> |
| <Bond type1="protein-CA" type2="protein-CA" length="0.13999999999999999" k="392459.19999999995"/> |
| <Bond type1="protein-CA" type2="protein-CB" length="0.1404" k="392459.19999999995"/> |
| <Bond type1="protein-CA" type2="protein-CN" length="0.13999999999999999" k="392459.19999999995"/> |
| <Bond type1="protein-CA" type2="protein-CT" length="0.15100000000000002" k="265265.6"/> |
| <Bond type1="protein-CA" type2="protein-HA" length="0.10800000000000001" k="307105.5999999999"/> |
| <Bond type1="protein-CA" type2="protein-H4" length="0.10800000000000001" k="307105.5999999999"/> |
| <Bond type1="protein-CA" type2="protein-N2" length="0.134" k="402500.79999999993"/> |
| <Bond type1="protein-CA" type2="protein-NA" length="0.1381" k="357313.5999999999"/> |
| <Bond type1="protein-CA" type2="protein-OH" length="0.13640000000000002" k="376559.99999999994"/> |
| <Bond type1="protein-CB" type2="protein-CB" length="0.137" k="435135.99999999994"/> |
| <Bond type1="protein-CB" type2="protein-NB" length="0.1391" k="346435.19999999995"/> |
| <Bond type1="protein-CT" type2="protein-CT" length="0.1526" k="259407.99999999994"/> |
| <Bond type1="protein-CX" type2="protein-CT" length="0.1526" k="259407.99999999994"/> |
| <Bond type1="protein-CT" type2="protein-HC" length="0.10900000000000001" k="284511.99999999994"/> |
| <Bond type1="protein-CT" type2="protein-H1" length="0.10900000000000001" k="284511.99999999994"/> |
| <Bond type1="protein-CX" type2="protein-H1" length="0.10900000000000001" k="284511.99999999994"/> |
| <Bond type1="protein-CT" type2="protein-HP" length="0.10900000000000001" k="284511.99999999994"/> |
| <Bond type1="protein-CX" type2="protein-HP" length="0.10900000000000001" k="284511.99999999994"/> |
| <Bond type1="protein-CT" type2="protein-N2" length="0.1463" k="282001.5999999999"/> |
| <Bond type1="protein-CT" type2="protein-OH" length="0.141" k="267775.99999999994"/> |
| <Bond type1="protein-C*" type2="protein-HC" length="0.10800000000000001" k="307105.5999999999"/> |
| <Bond type1="protein-C*" type2="protein-CB" length="0.1459" k="324678.39999999997"/> |
| <Bond type1="protein-C*" type2="protein-CT" length="0.14950000000000002" k="265265.6"/> |
| <Bond type1="protein-C*" type2="protein-CW" length="0.13520000000000001" k="456892.79999999993"/> |
| <Bond type1="protein-CB" type2="protein-CN" length="0.1419" k="374049.5999999999"/> |
| <Bond type1="protein-CC" type2="protein-CT" length="0.1504" k="265265.6"/> |
| <Bond type1="protein-CC" type2="protein-CV" length="0.1375" k="428441.5999999999"/> |
| <Bond type1="protein-CC" type2="protein-CW" length="0.1371" k="433462.3999999999"/> |
| <Bond type1="protein-CC" type2="protein-NA" length="0.1385" k="353129.5999999999"/> |
| <Bond type1="protein-CC" type2="protein-NB" length="0.1394" k="343087.99999999994"/> |
| <Bond type1="protein-CN" type2="protein-NA" length="0.13799999999999998" k="358150.3999999999"/> |
| <Bond type1="protein-CR" type2="protein-H5" length="0.10800000000000001" k="307105.5999999999"/> |
| <Bond type1="protein-CR" type2="protein-NA" length="0.1343" k="399153.5999999999"/> |
| <Bond type1="protein-CR" type2="protein-NB" length="0.1335" k="408358.3999999999"/> |
| <Bond type1="protein-CT" type2="protein-N" length="0.1449" k="282001.5999999999"/> |
| <Bond type1="protein-CX" type2="protein-N" length="0.1449" k="282001.5999999999"/> |
| <Bond type1="protein-CT" type2="protein-N3" length="0.1471" k="307105.5999999999"/> |
| <Bond type1="protein-CX" type2="protein-N3" length="0.1471" k="307105.5999999999"/> |
| <Bond type1="protein-CT" type2="protein-S" length="0.18100000000000002" k="189953.59999999998"/> |
| <Bond type1="protein-CT" type2="protein-SH" length="0.18100000000000002" k="198321.59999999998"/> |
| <Bond type1="protein-CV" type2="protein-H4" length="0.10800000000000001" k="307105.5999999999"/> |
| <Bond type1="protein-CV" type2="protein-NB" length="0.1394" k="343087.99999999994"/> |
| <Bond type1="protein-CW" type2="protein-H4" length="0.10800000000000001" k="307105.5999999999"/> |
| <Bond type1="protein-CW" type2="protein-NA" length="0.1381" k="357313.5999999999"/> |
| <Bond type1="protein-H" type2="protein-N2" length="0.101" k="363171.19999999995"/> |
| <Bond type1="protein-H" type2="protein-NA" length="0.101" k="363171.19999999995"/> |
| <Bond type1="protein-H" type2="protein-N" length="0.101" k="363171.19999999995"/> |
| <Bond type1="protein-H" type2="protein-N3" length="0.101" k="363171.19999999995"/> |
| <Bond type1="protein-HO" type2="protein-OH" length="0.096" k="462750.3999999999"/> |
| <Bond type1="protein-HS" type2="protein-SH" length="0.13360000000000002" k="229283.19999999995"/> |
| <Bond type1="protein-S" type2="protein-S" length="0.20379999999999998" k="138908.79999999996"/> |
| <Bond type1="EP" type2="protein-O" length="0.020000000000000004" k="502079.9999999999"/> |
| <Bond type1="EP" type2="protein-OH" length="0.020000000000000004" k="502079.9999999999"/> |
| <Bond type1="EP" type2="protein-N3" length="0.020000000000000004" k="502079.9999999999"/> |
| <Bond type1="EP" type2="protein-NB" length="0.020000000000000004" k="502079.9999999999"/> |
| <Bond type1="EP" type2="protein-S" length="0.06999999999999999" k="502079.9999999999"/> |
| <Bond type1="EP" type2="protein-SH" length="0.06999999999999999" k="502079.9999999999"/> |
| <Bond type1="protein-C" type2="protein-2C" length="0.1522" k="265265.6"/> |
| <Bond type1="protein-C*" type2="protein-2C" length="0.14950000000000002" k="265265.6"/> |
| <Bond type1="protein-C8" type2="protein-C8" length="0.1526" k="259407.99999999994"/> |
| <Bond type1="protein-C8" type2="protein-CX" length="0.1526" k="259407.99999999994"/> |
| <Bond type1="protein-C8" type2="protein-H1" length="0.10900000000000001" k="284511.99999999994"/> |
| <Bond type1="protein-C8" type2="protein-HC" length="0.10900000000000001" k="284511.99999999994"/> |
| <Bond type1="protein-C8" type2="protein-HP" length="0.10900000000000001" k="284511.99999999994"/> |
| <Bond type1="protein-C8" type2="protein-N2" length="0.1463" k="282001.5999999999"/> |
| <Bond type1="protein-C8" type2="protein-N3" length="0.1471" k="307105.5999999999"/> |
| <Bond type1="protein-CA" type2="protein-2C" length="0.15100000000000002" k="265265.6"/> |
| <Bond type1="protein-CC" type2="protein-2C" length="0.1504" k="265265.6"/> |
| <Bond type1="protein-CO" type2="protein-O2" length="0.125" k="548940.7999999999"/> |
| <Bond type1="protein-CO" type2="protein-2C" length="0.1522" k="265265.6"/> |
| <Bond type1="protein-CT" type2="protein-2C" length="0.1526" k="259407.99999999994"/> |
| <Bond type1="protein-CT" type2="protein-3C" length="0.1526" k="259407.99999999994"/> |
| <Bond type1="protein-CX" type2="protein-2C" length="0.1526" k="259407.99999999994"/> |
| <Bond type1="protein-CX" type2="protein-3C" length="0.1526" k="259407.99999999994"/> |
| <Bond type1="protein-H1" type2="protein-2C" length="0.10900000000000001" k="284511.99999999994"/> |
| <Bond type1="protein-H1" type2="protein-3C" length="0.10900000000000001" k="284511.99999999994"/> |
| <Bond type1="protein-HC" type2="protein-2C" length="0.10900000000000001" k="284511.99999999994"/> |
| <Bond type1="protein-HC" type2="protein-3C" length="0.10900000000000001" k="284511.99999999994"/> |
| <Bond type1="protein-OH" type2="protein-2C" length="0.141" k="267775.99999999994"/> |
| <Bond type1="protein-OH" type2="protein-3C" length="0.141" k="267775.99999999994"/> |
| <Bond type1="protein-S" type2="protein-2C" length="0.18100000000000002" k="189953.59999999998"/> |
| <Bond type1="protein-SH" type2="protein-2C" length="0.18100000000000002" k="198321.59999999998"/> |
| <Bond type1="protein-2C" type2="protein-2C" length="0.1526" k="259407.99999999994"/> |
| <Bond type1="protein-2C" type2="protein-3C" length="0.1526" k="259407.99999999994"/> |
| </HarmonicBondForce> |
| <HarmonicAngleForce> |
| <Angle type1="protein-C" type2="protein-C" type3="protein-O" angle="2.0943951023931953" k="669.44"/> |
| <Angle type1="protein-C" type2="protein-C" type3="protein-OH" angle="2.0943951023931953" k="669.44"/> |
| <Angle type1="protein-CA" type2="protein-C" type3="protein-CA" angle="2.0943951023931953" k="527.184"/> |
| <Angle type1="protein-CA" type2="protein-C" type3="protein-OH" angle="2.0943951023931953" k="585.76"/> |
| <Angle type1="protein-CB" type2="protein-C" type3="protein-NA" angle="1.9425514574696887" k="585.76"/> |
| <Angle type1="protein-CB" type2="protein-C" type3="protein-O" angle="2.2479840765686965" k="669.44"/> |
| <Angle type1="protein-CT" type2="protein-C" type3="protein-O" angle="2.101376419401173" k="669.44"/> |
| <Angle type1="protein-CX" type2="protein-C" type3="protein-O" angle="2.101376419401173" k="669.44"/> |
| <Angle type1="protein-CT" type2="protein-C" type3="protein-O2" angle="2.0420352248333655" k="585.76"/> |
| <Angle type1="protein-CX" type2="protein-C" type3="protein-O2" angle="2.0420352248333655" k="585.76"/> |
| <Angle type1="protein-CT" type2="protein-C" type3="protein-N" angle="2.035053907825388" k="585.76"/> |
| <Angle type1="protein-CX" type2="protein-C" type3="protein-N" angle="2.035053907825388" k="585.76"/> |
| <Angle type1="protein-CT" type2="protein-C" type3="protein-CT" angle="2.0420352248333655" k="527.184"/> |
| <Angle type1="protein-CT" type2="protein-C" type3="protein-OH" angle="1.9198621771937625" k="669.44"/> |
| <Angle type1="protein-CX" type2="protein-C" type3="protein-OH" angle="1.9198621771937625" k="669.44"/> |
| <Angle type1="protein-NA" type2="protein-C" type3="protein-O" angle="2.1048670779051615" k="669.44"/> |
| <Angle type1="protein-N" type2="protein-C" type3="protein-O" angle="2.1450096507010312" k="669.44"/> |
| <Angle type1="protein-O" type2="protein-C" type3="protein-O" angle="2.199114857512855" k="669.44"/> |
| <Angle type1="protein-O" type2="protein-C" type3="protein-OH" angle="2.0943951023931953" k="669.44"/> |
| <Angle type1="protein-O2" type2="protein-C" type3="protein-O2" angle="2.199114857512855" k="669.44"/> |
| <Angle type1="protein-H4" type2="protein-C" type3="protein-C" angle="2.0943951023931953" k="418.40000000000003"/> |
| <Angle type1="protein-H4" type2="protein-C" type3="protein-CT" angle="2.007128639793479" k="418.40000000000003"/> |
| <Angle type1="protein-H4" type2="protein-C" type3="protein-O" angle="2.0943951023931953" k="418.40000000000003"/> |
| <Angle type1="protein-H4" type2="protein-C" type3="protein-OH" angle="2.0943951023931953" k="418.40000000000003"/> |
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| <Atom type="protein-OH" sigma="0.3066473387839048" epsilon="0.8803136"/> |
| <Atom type="protein-S" sigma="0.35635948725613575" epsilon="1.046"/> |
| <Atom type="protein-SH" sigma="0.35635948725613575" epsilon="1.046"/> |
| <Atom type="protein-CO" sigma="0.3399669508423535" epsilon="0.359824"/> |
| <Atom type="protein-2C" sigma="0.3399669508423535" epsilon="0.4577296"/> |
| <Atom type="protein-3C" sigma="0.3399669508423535" epsilon="0.4577296"/> |
| <Atom type="protein-C8" sigma="0.3399669508423535" epsilon="0.4577296"/> |
| </NonbondedForce> |
| </ForceField> |
|
|
