Spaces:
Sleeping
Sleeping
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| <Atom name="O4'" type="1608"/> | |
| <Atom name="C1'" type="1609"/> | |
| <Atom name="N1" type="1611"/> | |
| <Atom name="C6" type="1612"/> | |
| <Atom name="C5" type="1614"/> | |
| <Atom name="C4" type="1616"/> | |
| <Atom name="N4" type="1617"/> | |
| <Atom name="N3" type="1619"/> | |
| <Atom name="C2" type="1620"/> | |
| <Atom name="O2" type="1621"/> | |
| <Atom name="C3'" type="1622"/> | |
| <Atom name="C2'" type="1624"/> | |
| <Atom name="O2'" type="1626"/> | |
| <Atom name="O3'" type="1628"/> | |
| <Bond from="0" to="1"/> | |
| <Bond from="0" to="2"/> | |
| <Bond from="0" to="3"/> | |
| <Bond from="3" to="4"/> | |
| <Bond from="4" to="5"/> | |
| <Bond from="5" to="6"/> | |
| <Bond from="5" to="16"/> | |
| <Bond from="6" to="7"/> | |
| <Bond from="7" to="8"/> | |
| <Bond from="7" to="17"/> | |
| <Bond from="8" to="9"/> | |
| <Bond from="8" to="14"/> | |
| <Bond from="9" to="10"/> | |
| <Bond from="10" to="11"/> | |
| <Bond from="11" to="12"/> | |
| <Bond from="11" to="13"/> | |
| <Bond from="13" to="14"/> | |
| <Bond from="14" to="15"/> | |
| <Bond from="16" to="17"/> | |
| <Bond from="16" to="19"/> | |
| <Bond from="17" to="18"/> | |
| <ExternalBond from="0"/> | |
| <ExternalBond from="19"/> | |
| </Residue> | |
| <Residue name="NLEU"> | |
| <Atom name="N" type="879"/> | |
| <Atom name="CA" type="881"/> | |
| <Atom name="CB" type="883"/> | |
| <Atom name="CG" type="885"/> | |
| <Atom name="CD1" type="887"/> | |
| <Atom name="CD2" type="889"/> | |
| <Atom name="C" type="891"/> | |
| <Atom name="O" type="892"/> | |
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| <Bond from="1" to="2"/> | |
| <Bond from="1" to="6"/> | |
| <Bond from="2" to="3"/> | |
| <Bond from="3" to="4"/> | |
| <Bond from="3" to="5"/> | |
| <Bond from="6" to="7"/> | |
| <ExternalBond from="6"/> | |
| </Residue> | |
| <Residue name="NGLY"> | |
| <Atom name="N" type="810"/> | |
| <Atom name="CA" type="812"/> | |
| <Atom name="C" type="814"/> | |
| <Atom name="O" type="815"/> | |
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| <Bond from="1" to="2"/> | |
| <Bond from="2" to="3"/> | |
| <ExternalBond from="2"/> | |
| </Residue> | |
| <Residue name="NPRO"> | |
| <Atom name="N" type="941"/> | |
| <Atom name="CD" type="943"/> | |
| <Atom name="CG" type="945"/> | |
| <Atom name="CB" type="947"/> | |
| <Atom name="CA" type="949"/> | |
| <Atom name="C" type="951"/> | |
| <Atom name="O" type="952"/> | |
| <Bond from="0" to="1"/> | |
| <Bond from="0" to="4"/> | |
| <Bond from="1" to="2"/> | |
| <Bond from="2" to="3"/> | |
| <Bond from="3" to="4"/> | |
| <Bond from="4" to="5"/> | |
| <Bond from="5" to="6"/> | |
| <ExternalBond from="5"/> | |
| </Residue> | |
| <Residue name="VAL"> | |
| <Atom name="N" type="354"/> | |
| <Atom name="CA" type="356"/> | |
| <Atom name="CB" type="358"/> | |
| <Atom name="CG1" type="360"/> | |
| <Atom name="CG2" type="362"/> | |
| <Atom name="C" type="364"/> | |
| <Atom name="O" type="365"/> | |
| <Bond from="0" to="1"/> | |
| <Bond from="1" to="2"/> | |
| <Bond from="1" to="5"/> | |
| <Bond from="2" to="3"/> | |
| <Bond from="2" to="4"/> | |
| <Bond from="5" to="6"/> | |
| <ExternalBond from="0"/> | |
| <ExternalBond from="5"/> | |
| </Residue> | |
| <Residue name="THR"> | |
| <Atom name="N" type="299"/> | |
| <Atom name="CA" type="301"/> | |
| <Atom name="CB" type="303"/> | |
| <Atom name="CG2" type="305"/> | |
| <Atom name="OG1" type="307"/> | |
| <Atom name="C" type="309"/> | |
| <Atom name="O" type="310"/> | |
| <Bond from="0" to="1"/> | |
| <Bond from="1" to="2"/> | |
| <Bond from="1" to="5"/> | |
| <Bond from="2" to="3"/> | |
| <Bond from="2" to="4"/> | |
| <Bond from="5" to="6"/> | |
| <ExternalBond from="0"/> | |
| <ExternalBond from="5"/> | |
| </Residue> | |
| <Residue name="RA5"> | |
| <Atom name="O5'" type="1542"/> | |
| <Atom name="C5'" type="1543"/> | |
| <Atom name="C4'" type="1545"/> | |
| <Atom name="O4'" type="1547"/> | |
| <Atom name="C1'" type="1548"/> | |
| <Atom name="N9" type="1550"/> | |
| <Atom name="C8" type="1551"/> | |
| <Atom name="N7" type="1553"/> | |
| <Atom name="C5" type="1554"/> | |
| <Atom name="C6" type="1555"/> | |
| <Atom name="N6" type="1556"/> | |
| <Atom name="N1" type="1558"/> | |
| <Atom name="C2" type="1559"/> | |
| <Atom name="N3" type="1561"/> | |
| <Atom name="C4" type="1562"/> | |
| <Atom name="C3'" type="1563"/> | |
| <Atom name="C2'" type="1565"/> | |
| <Atom name="O2'" type="1567"/> | |
| <Atom name="O3'" type="1569"/> | |
| <Bond from="0" to="1"/> | |
| <Bond from="1" to="2"/> | |
| <Bond from="2" to="3"/> | |
| <Bond from="2" to="15"/> | |
| <Bond from="3" to="4"/> | |
| <Bond from="4" to="5"/> | |
| <Bond from="4" to="16"/> | |
| <Bond from="5" to="6"/> | |
| <Bond from="5" to="14"/> | |
| <Bond from="6" to="7"/> | |
| <Bond from="7" to="8"/> | |
| <Bond from="8" to="9"/> | |
| <Bond from="8" to="14"/> | |
| <Bond from="9" to="10"/> | |
| <Bond from="9" to="11"/> | |
| <Bond from="11" to="12"/> | |
| <Bond from="12" to="13"/> | |
| <Bond from="13" to="14"/> | |
| <Bond from="15" to="16"/> | |
| <Bond from="15" to="18"/> | |
| <Bond from="16" to="17"/> | |
| <ExternalBond from="18"/> | |
| </Residue> | |
| <Residue name="RA3"> | |
| <Atom name="P" type="1509"/> | |
| <Atom name="O1P" type="1510"/> | |
| <Atom name="O2P" type="1511"/> | |
| <Atom name="O5'" type="1512"/> | |
| <Atom name="C5'" type="1513"/> | |
| <Atom name="C4'" type="1515"/> | |
| <Atom name="O4'" type="1517"/> | |
| <Atom name="C1'" type="1518"/> | |
| <Atom name="N9" type="1520"/> | |
| <Atom name="C8" type="1521"/> | |
| <Atom name="N7" type="1523"/> | |
| <Atom name="C5" type="1524"/> | |
| <Atom name="C6" type="1525"/> | |
| <Atom name="N6" type="1526"/> | |
| <Atom name="N1" type="1528"/> | |
| <Atom name="C2" type="1529"/> | |
| <Atom name="N3" type="1531"/> | |
| <Atom name="C4" type="1532"/> | |
| <Atom name="C3'" type="1533"/> | |
| <Atom name="C2'" type="1535"/> | |
| <Atom name="O2'" type="1537"/> | |
| <Atom name="O3'" type="1539"/> | |
| <Bond from="0" to="1"/> | |
| <Bond from="0" to="2"/> | |
| <Bond from="0" to="3"/> | |
| <Bond from="3" to="4"/> | |
| <Bond from="4" to="5"/> | |
| <Bond from="5" to="6"/> | |
| <Bond from="5" to="18"/> | |
| <Bond from="6" to="7"/> | |
| <Bond from="7" to="8"/> | |
| <Bond from="7" to="19"/> | |
| <Bond from="8" to="9"/> | |
| <Bond from="8" to="17"/> | |
| <Bond from="9" to="10"/> | |
| <Bond from="10" to="11"/> | |
| <Bond from="11" to="12"/> | |
| <Bond from="11" to="17"/> | |
| <Bond from="12" to="13"/> | |
| <Bond from="12" to="14"/> | |
| <Bond from="14" to="15"/> | |
| <Bond from="15" to="16"/> | |
| <Bond from="16" to="17"/> | |
| <Bond from="18" to="19"/> | |
| <Bond from="18" to="21"/> | |
| <Bond from="19" to="20"/> | |
| <ExternalBond from="0"/> | |
| </Residue> | |
| <Residue name="NVAL"> | |
| <Atom name="N" type="1018"/> | |
| <Atom name="CA" type="1020"/> | |
| <Atom name="CB" type="1022"/> | |
| <Atom name="CG1" type="1024"/> | |
| <Atom name="CG2" type="1026"/> | |
| <Atom name="C" type="1028"/> | |
| <Atom name="O" type="1029"/> | |
| <Bond from="0" to="1"/> | |
| <Bond from="1" to="2"/> | |
| <Bond from="1" to="5"/> | |
| <Bond from="2" to="3"/> | |
| <Bond from="2" to="4"/> | |
| <Bond from="5" to="6"/> | |
| <ExternalBond from="5"/> | |
| </Residue> | |
| <Residue name="DC5"> | |
| <Atom name="O5'" type="1200"/> | |
| <Atom name="C5'" type="1201"/> | |
| <Atom name="C4'" type="1203"/> | |
| <Atom name="O4'" type="1205"/> | |
| <Atom name="C1'" type="1206"/> | |
| <Atom name="N1" type="1208"/> | |
| <Atom name="C6" type="1209"/> | |
| <Atom name="C5" type="1211"/> | |
| <Atom name="C4" type="1213"/> | |
| <Atom name="N4" type="1214"/> | |
| <Atom name="N3" type="1216"/> | |
| <Atom name="C2" type="1217"/> | |
| <Atom name="O2" type="1218"/> | |
| <Atom name="C3'" type="1219"/> | |
| <Atom name="C2'" type="1221"/> | |
| <Atom name="O3'" type="1223"/> | |
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| <Bond from="1" to="2"/> | |
| <Bond from="2" to="3"/> | |
| <Bond from="2" to="13"/> | |
| <Bond from="3" to="4"/> | |
| <Bond from="4" to="5"/> | |
| <Bond from="4" to="14"/> | |
| <Bond from="5" to="6"/> | |
| <Bond from="5" to="11"/> | |
| <Bond from="6" to="7"/> | |
| <Bond from="7" to="8"/> | |
| <Bond from="8" to="9"/> | |
| <Bond from="8" to="10"/> | |
| <Bond from="10" to="11"/> | |
| <Bond from="11" to="12"/> | |
| <Bond from="13" to="14"/> | |
| <Bond from="13" to="15"/> | |
| <ExternalBond from="15"/> | |
| </Residue> | |
| <Residue name="DC3"> | |
| <Atom name="P" type="1171"/> | |
| <Atom name="O1P" type="1172"/> | |
| <Atom name="O2P" type="1173"/> | |
| <Atom name="O5'" type="1174"/> | |
| <Atom name="C5'" type="1175"/> | |
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| <Atom name="O4'" type="1179"/> | |
| <Atom name="C1'" type="1180"/> | |
| <Atom name="N1" type="1182"/> | |
| <Atom name="C6" type="1183"/> | |
| <Atom name="C5" type="1185"/> | |
| <Atom name="C4" type="1187"/> | |
| <Atom name="N4" type="1188"/> | |
| <Atom name="N3" type="1190"/> | |
| <Atom name="C2" type="1191"/> | |
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| <Atom name="C2'" type="1195"/> | |
| <Atom name="O3'" type="1197"/> | |
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| <Bond from="0" to="2"/> | |
| <Bond from="0" to="3"/> | |
| <Bond from="3" to="4"/> | |
| <Bond from="4" to="5"/> | |
| <Bond from="5" to="6"/> | |
| <Bond from="5" to="16"/> | |
| <Bond from="6" to="7"/> | |
| <Bond from="7" to="8"/> | |
| <Bond from="7" to="17"/> | |
| <Bond from="8" to="9"/> | |
| <Bond from="8" to="14"/> | |
| <Bond from="9" to="10"/> | |
| <Bond from="10" to="11"/> | |
| <Bond from="11" to="12"/> | |
| <Bond from="11" to="13"/> | |
| <Bond from="13" to="14"/> | |
| <Bond from="14" to="15"/> | |
| <Bond from="16" to="17"/> | |
| <Bond from="16" to="18"/> | |
| <ExternalBond from="0"/> | |
| </Residue> | |
| <Residue name="NTRP"> | |
| <Atom name="N" type="975"/> | |
| <Atom name="CA" type="977"/> | |
| <Atom name="CB" type="979"/> | |
| <Atom name="CG" type="981"/> | |
| <Atom name="CD1" type="982"/> | |
| <Atom name="NE1" type="984"/> | |
| <Atom name="CE2" type="986"/> | |
| <Atom name="CZ2" type="987"/> | |
| <Atom name="CH2" type="989"/> | |
| <Atom name="CZ3" type="991"/> | |
| <Atom name="CE3" type="993"/> | |
| <Atom name="CD2" type="995"/> | |
| <Atom name="C" type="996"/> | |
| <Atom name="O" type="997"/> | |
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| <Bond from="1" to="2"/> | |
| <Bond from="1" to="12"/> | |
| <Bond from="2" to="3"/> | |
| <Bond from="3" to="4"/> | |
| <Bond from="3" to="11"/> | |
| <Bond from="4" to="5"/> | |
| <Bond from="5" to="6"/> | |
| <Bond from="6" to="7"/> | |
| <Bond from="6" to="11"/> | |
| <Bond from="7" to="8"/> | |
| <Bond from="8" to="9"/> | |
| <Bond from="9" to="10"/> | |
| <Bond from="10" to="11"/> | |
| <Bond from="12" to="13"/> | |
| <ExternalBond from="12"/> | |
| </Residue> | |
| <Residue name="PHE"> | |
| <Atom name="N" type="259"/> | |
| <Atom name="CA" type="261"/> | |
| <Atom name="CB" type="263"/> | |
| <Atom name="CG" type="265"/> | |
| <Atom name="CD1" type="266"/> | |
| <Atom name="CE1" type="268"/> | |
| <Atom name="CZ" type="270"/> | |
| <Atom name="CE2" type="272"/> | |
| <Atom name="CD2" type="274"/> | |
| <Atom name="C" type="276"/> | |
| <Atom name="O" type="277"/> | |
| <Bond from="0" to="1"/> | |
| <Bond from="1" to="2"/> | |
| <Bond from="1" to="9"/> | |
| <Bond from="2" to="3"/> | |
| <Bond from="3" to="4"/> | |
| <Bond from="3" to="8"/> | |
| <Bond from="4" to="5"/> | |
| <Bond from="5" to="6"/> | |
| <Bond from="6" to="7"/> | |
| <Bond from="7" to="8"/> | |
| <Bond from="9" to="10"/> | |
| <ExternalBond from="0"/> | |
| <ExternalBond from="9"/> | |
| </Residue> | |
| <Residue name="NCYS"> | |
| <Atom name="N" type="764"/> | |
| <Atom name="CA" type="766"/> | |
| <Atom name="CB" type="768"/> | |
| <Atom name="SG" type="770"/> | |
| <Atom name="C" type="772"/> | |
| <Atom name="O" type="773"/> | |
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| <Bond from="1" to="2"/> | |
| <Bond from="1" to="4"/> | |
| <Bond from="2" to="3"/> | |
| <Bond from="4" to="5"/> | |
| <ExternalBond from="4"/> | |
| </Residue> | |
| <Residue name="TYR"> | |
| <Atom name="N" type="334"/> | |
| <Atom name="CA" type="336"/> | |
| <Atom name="CB" type="338"/> | |
| <Atom name="CG" type="340"/> | |
| <Atom name="CD1" type="341"/> | |
| <Atom name="CE1" type="343"/> | |
| <Atom name="CZ" type="345"/> | |
| <Atom name="OH" type="346"/> | |
| <Atom name="CE2" type="348"/> | |
| <Atom name="CD2" type="350"/> | |
| <Atom name="C" type="352"/> | |
| <Atom name="O" type="353"/> | |
| <Bond from="0" to="1"/> | |
| <Bond from="1" to="2"/> | |
| <Bond from="1" to="10"/> | |
| <Bond from="2" to="3"/> | |
| <Bond from="3" to="4"/> | |
| <Bond from="3" to="9"/> | |
| <Bond from="4" to="5"/> | |
| <Bond from="5" to="6"/> | |
| <Bond from="6" to="7"/> | |
| <Bond from="6" to="8"/> | |
| <Bond from="8" to="9"/> | |
| <Bond from="10" to="11"/> | |
| <ExternalBond from="0"/> | |
| <ExternalBond from="10"/> | |
| </Residue> | |
| <Residue name="NTHR"> | |
| <Atom name="N" type="963"/> | |
| <Atom name="CA" type="965"/> | |
| <Atom name="CB" type="967"/> | |
| <Atom name="CG2" type="969"/> | |
| <Atom name="OG1" type="971"/> | |
| <Atom name="C" type="973"/> | |
| <Atom name="O" type="974"/> | |
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| <Bond from="1" to="2"/> | |
| <Bond from="1" to="5"/> | |
| <Bond from="2" to="3"/> | |
| <Bond from="2" to="4"/> | |
| <Bond from="5" to="6"/> | |
| <ExternalBond from="5"/> | |
| </Residue> | |
| <Residue name="DTN"> | |
| <Atom name="O5'" type="1452"/> | |
| <Atom name="C5'" type="1453"/> | |
| <Atom name="C4'" type="1455"/> | |
| <Atom name="O4'" type="1457"/> | |
| <Atom name="C1'" type="1458"/> | |
| <Atom name="N1" type="1460"/> | |
| <Atom name="C6" type="1461"/> | |
| <Atom name="C5" type="1463"/> | |
| <Atom name="C7" type="1464"/> | |
| <Atom name="C4" type="1466"/> | |
| <Atom name="O4" type="1467"/> | |
| <Atom name="N3" type="1468"/> | |
| <Atom name="C2" type="1470"/> | |
| <Atom name="O2" type="1471"/> | |
| <Atom name="C3'" type="1472"/> | |
| <Atom name="C2'" type="1474"/> | |
| <Atom name="O3'" type="1476"/> | |
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| <Bond from="1" to="2"/> | |
| <Bond from="2" to="3"/> | |
| <Bond from="2" to="14"/> | |
| <Bond from="3" to="4"/> | |
| <Bond from="4" to="5"/> | |
| <Bond from="4" to="15"/> | |
| <Bond from="5" to="6"/> | |
| <Bond from="5" to="12"/> | |
| <Bond from="6" to="7"/> | |
| <Bond from="7" to="8"/> | |
| <Bond from="7" to="9"/> | |
| <Bond from="9" to="10"/> | |
| <Bond from="9" to="11"/> | |
| <Bond from="11" to="12"/> | |
| <Bond from="12" to="13"/> | |
| <Bond from="14" to="15"/> | |
| <Bond from="14" to="16"/> | |
| </Residue> | |
| <Residue name="CPHE"> | |
| <Atom name="N" type="590"/> | |
| <Atom name="CA" type="592"/> | |
| <Atom name="CB" type="594"/> | |
| <Atom name="CG" type="596"/> | |
| <Atom name="CD1" type="597"/> | |
| <Atom name="CE1" type="599"/> | |
| <Atom name="CZ" type="601"/> | |
| <Atom name="CE2" type="603"/> | |
| <Atom name="CD2" type="605"/> | |
| <Atom name="C" type="607"/> | |
| <Atom name="O" type="608"/> | |
| <Atom name="OXT" type="609"/> | |
| <Bond from="0" to="1"/> | |
| <Bond from="1" to="2"/> | |
| <Bond from="1" to="9"/> | |
| <Bond from="2" to="3"/> | |
| <Bond from="3" to="4"/> | |
| <Bond from="3" to="8"/> | |
| <Bond from="4" to="5"/> | |
| <Bond from="5" to="6"/> | |
| <Bond from="6" to="7"/> | |
| <Bond from="7" to="8"/> | |
| <Bond from="9" to="10"/> | |
| <Bond from="9" to="11"/> | |
| <ExternalBond from="0"/> | |
| </Residue> | |
| <Residue name="NHIS"> | |
| <Atom name="N" type="816"/> | |
| <Atom name="CA" type="818"/> | |
| <Atom name="CB" type="820"/> | |
| <Atom name="CG" type="822"/> | |
| <Atom name="ND1" type="823"/> | |
| <Atom name="CE1" type="825"/> | |
| <Atom name="NE2" type="827"/> | |
| <Atom name="CD2" type="828"/> | |
| <Atom name="C" type="830"/> | |
| <Atom name="O" type="831"/> | |
| <Bond from="0" to="1"/> | |
| <Bond from="1" to="2"/> | |
| <Bond from="1" to="8"/> | |
| <Bond from="2" to="3"/> | |
| <Bond from="3" to="4"/> | |
| <Bond from="3" to="7"/> | |
| <Bond from="4" to="5"/> | |
| <Bond from="5" to="6"/> | |
| <Bond from="6" to="7"/> | |
| <Bond from="8" to="9"/> | |
| <ExternalBond from="8"/> | |
| </Residue> | |
| <Residue name="MG2"> | |
| <Atom name="MG" type="1958"/> | |
| </Residue> | |
| <Residue name="NHE"> | |
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| <ExternalBond from="0"/> | |
| </Residue> | |
| <Residue name="NLYS"> | |
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| <Atom name="CB" type="897"/> | |
| <Atom name="CG" type="899"/> | |
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| <Atom name="CE" type="903"/> | |
| <Atom name="NZ" type="905"/> | |
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| <Bond from="3" to="4"/> | |
| <Bond from="4" to="5"/> | |
| <Bond from="5" to="6"/> | |
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| <ExternalBond from="7"/> | |
| </Residue> | |
| <Residue name="RGN"> | |
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| <Atom name="C5'" type="1811"/> | |
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| <Bond from="2" to="16"/> | |
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| <Bond from="4" to="5"/> | |
| <Bond from="4" to="17"/> | |
| <Bond from="5" to="6"/> | |
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| <Bond from="6" to="7"/> | |
| <Bond from="7" to="8"/> | |
| <Bond from="8" to="9"/> | |
| <Bond from="8" to="15"/> | |
| <Bond from="9" to="10"/> | |
| <Bond from="9" to="11"/> | |
| <Bond from="11" to="12"/> | |
| <Bond from="12" to="13"/> | |
| <Bond from="12" to="14"/> | |
| <Bond from="14" to="15"/> | |
| <Bond from="16" to="17"/> | |
| <Bond from="16" to="19"/> | |
| <Bond from="17" to="18"/> | |
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| <Residue name="CGLU"> | |
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| <Atom name="CA" type="458"/> | |
| <Atom name="CB" type="460"/> | |
| <Atom name="CG" type="462"/> | |
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| <Bond from="1" to="2"/> | |
| <Bond from="1" to="7"/> | |
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| <Bond from="4" to="5"/> | |
| <Bond from="4" to="6"/> | |
| <Bond from="7" to="8"/> | |
| <Bond from="7" to="9"/> | |
| <ExternalBond from="0"/> | |
| </Residue> | |
| <Residue name="CGLY"> | |
| <Atom name="N" type="470"/> | |
| <Atom name="CA" type="472"/> | |
| <Atom name="C" type="474"/> | |
| <Atom name="O" type="475"/> | |
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| <Bond from="1" to="2"/> | |
| <Bond from="2" to="3"/> | |
| <Bond from="2" to="4"/> | |
| <ExternalBond from="0"/> | |
| </Residue> | |
| <Residue name="CGLN"> | |
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| <Atom name="CA" type="443"/> | |
| <Atom name="CB" type="445"/> | |
| <Atom name="CG" type="447"/> | |
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| <Atom name="OE1" type="450"/> | |
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| <Atom name="O" type="454"/> | |
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| <Bond from="1" to="2"/> | |
| <Bond from="1" to="7"/> | |
| <Bond from="2" to="3"/> | |
| <Bond from="3" to="4"/> | |
| <Bond from="4" to="5"/> | |
| <Bond from="4" to="6"/> | |
| <Bond from="7" to="8"/> | |
| <Bond from="7" to="9"/> | |
| <ExternalBond from="0"/> | |
| </Residue> | |
| <Residue name="NARG"> | |
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| <Atom name="CA" type="724"/> | |
| <Atom name="CB" type="726"/> | |
| <Atom name="CG" type="728"/> | |
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| <Atom name="NH2" type="737"/> | |
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| <Atom name="O" type="740"/> | |
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| <Bond from="1" to="2"/> | |
| <Bond from="1" to="9"/> | |
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| <Bond from="3" to="4"/> | |
| <Bond from="4" to="5"/> | |
| <Bond from="5" to="6"/> | |
| <Bond from="6" to="7"/> | |
| <Bond from="6" to="8"/> | |
| <Bond from="9" to="10"/> | |
| <ExternalBond from="9"/> | |
| </Residue> | |
| <Residue name="RU5"> | |
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| <Atom name="C5'" type="1901"/> | |
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| <Atom name="N1" type="1908"/> | |
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| <Atom name="C5" type="1911"/> | |
| <Atom name="C4" type="1913"/> | |
| <Atom name="O4" type="1914"/> | |
| <Atom name="N3" type="1915"/> | |
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| <Atom name="C3'" type="1919"/> | |
| <Atom name="C2'" type="1921"/> | |
| <Atom name="O2'" type="1923"/> | |
| <Atom name="O3'" type="1925"/> | |
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| <Bond from="1" to="2"/> | |
| <Bond from="2" to="3"/> | |
| <Bond from="2" to="13"/> | |
| <Bond from="3" to="4"/> | |
| <Bond from="4" to="5"/> | |
| <Bond from="4" to="14"/> | |
| <Bond from="5" to="6"/> | |
| <Bond from="5" to="11"/> | |
| <Bond from="6" to="7"/> | |
| <Bond from="7" to="8"/> | |
| <Bond from="8" to="9"/> | |
| <Bond from="8" to="10"/> | |
| <Bond from="10" to="11"/> | |
| <Bond from="11" to="12"/> | |
| <Bond from="13" to="14"/> | |
| <Bond from="13" to="16"/> | |
| <Bond from="14" to="15"/> | |
| <ExternalBond from="16"/> | |
| </Residue> | |
| <Residue name="NTYR"> | |
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| <Atom name="CA" type="1000"/> | |
| <Atom name="CB" type="1002"/> | |
| <Atom name="CG" type="1004"/> | |
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| <Atom name="CE1" type="1007"/> | |
| <Atom name="CZ" type="1009"/> | |
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| <Atom name="O" type="1017"/> | |
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| <Bond from="1" to="10"/> | |
| <Bond from="2" to="3"/> | |
| <Bond from="3" to="4"/> | |
| <Bond from="3" to="9"/> | |
| <Bond from="4" to="5"/> | |
| <Bond from="5" to="6"/> | |
| <Bond from="6" to="7"/> | |
| <Bond from="6" to="8"/> | |
| <Bond from="8" to="9"/> | |
| <Bond from="10" to="11"/> | |
| <ExternalBond from="10"/> | |
| </Residue> | |
| <Residue name="CPRO"> | |
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| <Atom name="CD" type="611"/> | |
| <Atom name="CG" type="613"/> | |
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| <Bond from="0" to="4"/> | |
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| <Bond from="2" to="3"/> | |
| <Bond from="3" to="4"/> | |
| <Bond from="4" to="5"/> | |
| <Bond from="5" to="6"/> | |
| <Bond from="5" to="7"/> | |
| <ExternalBond from="0"/> | |
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| <Residue name="Cs+"> | |
| <Atom name="Cs+" type="1955"/> | |
| </Residue> | |
| <Residue name="TRP"> | |
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| <Atom name="CB" type="315"/> | |
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| <Bond from="1" to="12"/> | |
| <Bond from="2" to="3"/> | |
| <Bond from="3" to="4"/> | |
| <Bond from="3" to="11"/> | |
| <Bond from="4" to="5"/> | |
| <Bond from="5" to="6"/> | |
| <Bond from="6" to="7"/> | |
| <Bond from="6" to="11"/> | |
| <Bond from="7" to="8"/> | |
| <Bond from="8" to="9"/> | |
| <Bond from="9" to="10"/> | |
| <Bond from="10" to="11"/> | |
| <Bond from="12" to="13"/> | |
| <ExternalBond from="0"/> | |
| <ExternalBond from="12"/> | |
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| <Residue name="NSER"> | |
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| <Atom name="CB" type="957"/> | |
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| <Bond from="1" to="4"/> | |
| <Bond from="2" to="3"/> | |
| <Bond from="4" to="5"/> | |
| <ExternalBond from="4"/> | |
| </Residue> | |
| <Residue name="NASP"> | |
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| <Bond from="3" to="4"/> | |
| <Bond from="3" to="5"/> | |
| <Bond from="6" to="7"/> | |
| <ExternalBond from="6"/> | |
| </Residue> | |
| <Residue name="RG3"> | |
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| <Bond from="0" to="3"/> | |
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| <Bond from="4" to="5"/> | |
| <Bond from="5" to="6"/> | |
| <Bond from="5" to="19"/> | |
| <Bond from="6" to="7"/> | |
| <Bond from="7" to="8"/> | |
| <Bond from="7" to="20"/> | |
| <Bond from="8" to="9"/> | |
| <Bond from="8" to="18"/> | |
| <Bond from="9" to="10"/> | |
| <Bond from="10" to="11"/> | |
| <Bond from="11" to="12"/> | |
| <Bond from="11" to="18"/> | |
| <Bond from="12" to="13"/> | |
| <Bond from="12" to="14"/> | |
| <Bond from="14" to="15"/> | |
| <Bond from="15" to="16"/> | |
| <Bond from="15" to="17"/> | |
| <Bond from="17" to="18"/> | |
| <Bond from="19" to="20"/> | |
| <Bond from="19" to="22"/> | |
| <Bond from="20" to="21"/> | |
| <ExternalBond from="0"/> | |
| </Residue> | |
| <Residue name="RG5"> | |
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| <Bond from="3" to="4"/> | |
| <Bond from="4" to="5"/> | |
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| <Bond from="5" to="6"/> | |
| <Bond from="5" to="15"/> | |
| <Bond from="6" to="7"/> | |
| <Bond from="7" to="8"/> | |
| <Bond from="8" to="9"/> | |
| <Bond from="8" to="15"/> | |
| <Bond from="9" to="10"/> | |
| <Bond from="9" to="11"/> | |
| <Bond from="11" to="12"/> | |
| <Bond from="12" to="13"/> | |
| <Bond from="12" to="14"/> | |
| <Bond from="14" to="15"/> | |
| <Bond from="16" to="17"/> | |
| <Bond from="16" to="19"/> | |
| <Bond from="17" to="18"/> | |
| <ExternalBond from="19"/> | |
| </Residue> | |
| <Residue name="NPHE"> | |
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| <Atom name="CA" type="924"/> | |
| <Atom name="CB" type="926"/> | |
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| <Bond from="2" to="3"/> | |
| <Bond from="3" to="4"/> | |
| <Bond from="3" to="8"/> | |
| <Bond from="4" to="5"/> | |
| <Bond from="5" to="6"/> | |
| <Bond from="6" to="7"/> | |
| <Bond from="7" to="8"/> | |
| <Bond from="9" to="10"/> | |
| <ExternalBond from="9"/> | |
| </Residue> | |
| <Residue name="DT3"> | |
| <Atom name="P" type="1396"/> | |
| <Atom name="O1P" type="1397"/> | |
| <Atom name="O2P" type="1398"/> | |
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| <Bond from="7" to="8"/> | |
| <Bond from="7" to="18"/> | |
| <Bond from="8" to="9"/> | |
| <Bond from="8" to="15"/> | |
| <Bond from="9" to="10"/> | |
| <Bond from="10" to="11"/> | |
| <Bond from="10" to="12"/> | |
| <Bond from="12" to="13"/> | |
| <Bond from="12" to="14"/> | |
| <Bond from="14" to="15"/> | |
| <Bond from="15" to="16"/> | |
| <Bond from="17" to="18"/> | |
| <Bond from="17" to="19"/> | |
| <ExternalBond from="0"/> | |
| </Residue> | |
| <Residue name="NASN"> | |
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| <Bond from="3" to="4"/> | |
| <Bond from="3" to="5"/> | |
| <Bond from="6" to="7"/> | |
| <ExternalBond from="6"/> | |
| </Residue> | |
| <Residue name="DT5"> | |
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| <Atom name="C5'" type="1427"/> | |
| <Atom name="C4'" type="1429"/> | |
| <Atom name="O4'" type="1431"/> | |
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| <Bond from="2" to="14"/> | |
| <Bond from="3" to="4"/> | |
| <Bond from="4" to="5"/> | |
| <Bond from="4" to="15"/> | |
| <Bond from="5" to="6"/> | |
| <Bond from="5" to="12"/> | |
| <Bond from="6" to="7"/> | |
| <Bond from="7" to="8"/> | |
| <Bond from="7" to="9"/> | |
| <Bond from="9" to="10"/> | |
| <Bond from="9" to="11"/> | |
| <Bond from="11" to="12"/> | |
| <Bond from="12" to="13"/> | |
| <Bond from="14" to="15"/> | |
| <Bond from="14" to="16"/> | |
| <ExternalBond from="16"/> | |
| </Residue> | |
| <Residue name="ILE"> | |
| <Atom name="N" type="186"/> | |
| <Atom name="CA" type="188"/> | |
| <Atom name="CB" type="190"/> | |
| <Atom name="CG2" type="192"/> | |
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| <Atom name="O" type="199"/> | |
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| <Bond from="1" to="6"/> | |
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| <Bond from="2" to="4"/> | |
| <Bond from="4" to="5"/> | |
| <Bond from="6" to="7"/> | |
| <ExternalBond from="0"/> | |
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| </Residue> | |
| <Residue name="ACE"> | |
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| <Atom name="C" type="712"/> | |
| <Atom name="O" type="713"/> | |
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| </Residue> | |
| <Residue name="K+"> | |
| <Atom name="K+" type="1956"/> | |
| </Residue> | |
| <Residue name="GLY"> | |
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| <Atom name="C" type="135"/> | |
| <Atom name="O" type="136"/> | |
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| <Residue name="Rb+"> | |
| <Atom name="Rb+" type="1960"/> | |
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| <Residue name="RU3"> | |
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| <Bond from="5" to="6"/> | |
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| <Bond from="7" to="8"/> | |
| <Bond from="7" to="17"/> | |
| <Bond from="8" to="9"/> | |
| <Bond from="8" to="14"/> | |
| <Bond from="9" to="10"/> | |
| <Bond from="10" to="11"/> | |
| <Bond from="11" to="12"/> | |
| <Bond from="11" to="13"/> | |
| <Bond from="13" to="14"/> | |
| <Bond from="14" to="15"/> | |
| <Bond from="16" to="17"/> | |
| <Bond from="16" to="19"/> | |
| <Bond from="17" to="18"/> | |
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| <Residue name="GLU"> | |
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| <Bond from="4" to="5"/> | |
| <Bond from="4" to="6"/> | |
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| <ExternalBond from="0"/> | |
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| <Residue name="CHIS"> | |
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| <Bond from="3" to="7"/> | |
| <Bond from="4" to="5"/> | |
| <Bond from="5" to="6"/> | |
| <Bond from="6" to="7"/> | |
| <Bond from="8" to="9"/> | |
| <Bond from="8" to="10"/> | |
| <ExternalBond from="0"/> | |
| </Residue> | |
| <Residue name="NALA"> | |
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| <Bond from="1" to="3"/> | |
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| </Residue> | |
| <Residue name="ASP"> | |
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| <Atom name="CB" type="55"/> | |
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| <Bond from="1" to="6"/> | |
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| <Bond from="3" to="4"/> | |
| <Bond from="3" to="5"/> | |
| <Bond from="6" to="7"/> | |
| <ExternalBond from="0"/> | |
| <ExternalBond from="6"/> | |
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| <Residue name="SER"> | |
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| <Residue name="CASN"> | |
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| <Bond from="3" to="5"/> | |
| <Bond from="6" to="7"/> | |
| <Bond from="6" to="8"/> | |
| <ExternalBond from="0"/> | |
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| <Residue name="DGN"> | |
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| <Bond from="7" to="8"/> | |
| <Bond from="8" to="9"/> | |
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| <Bond from="9" to="10"/> | |
| <Bond from="9" to="11"/> | |
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| <Bond from="12" to="14"/> | |
| <Bond from="14" to="15"/> | |
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| <Bond from="16" to="18"/> | |
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| <Residue name="CASP"> | |
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| <Bond from="9" to="10"/> | |
| <Bond from="10" to="11"/> | |
| <Bond from="11" to="12"/> | |
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| <Bond from="12" to="13"/> | |
| <Bond from="12" to="14"/> | |
| <Bond from="14" to="15"/> | |
| <Bond from="15" to="16"/> | |
| <Bond from="15" to="17"/> | |
| <Bond from="17" to="18"/> | |
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| <Bond from="19" to="21"/> | |
| <ExternalBond from="0"/> | |
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| <Residue name="ASN"> | |
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| <Bond from="3" to="4"/> | |
| <Bond from="3" to="5"/> | |
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| <ExternalBond from="0"/> | |
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| </Residue> | |
| <Residue name="Cl-"> | |
| <Atom name="Cl-" type="1954"/> | |
| </Residue> | |
| <Residue name="CTHR"> | |
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| <Bond from="2" to="4"/> | |
| <Bond from="5" to="6"/> | |
| <Bond from="5" to="7"/> | |
| <ExternalBond from="0"/> | |
| </Residue> | |
| <Residue name="DG3"> | |
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| <Bond from="9" to="10"/> | |
| <Bond from="10" to="11"/> | |
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| <Bond from="19" to="21"/> | |
| <ExternalBond from="0"/> | |
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| <Residue name="DG5"> | |
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| <Bond from="3" to="4"/> | |
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| <Bond from="5" to="6"/> | |
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| <Bond from="6" to="7"/> | |
| <Bond from="7" to="8"/> | |
| <Bond from="8" to="9"/> | |
| <Bond from="8" to="15"/> | |
| <Bond from="9" to="10"/> | |
| <Bond from="9" to="11"/> | |
| <Bond from="11" to="12"/> | |
| <Bond from="12" to="13"/> | |
| <Bond from="12" to="14"/> | |
| <Bond from="14" to="15"/> | |
| <Bond from="16" to="17"/> | |
| <Bond from="16" to="18"/> | |
| <ExternalBond from="18"/> | |
| </Residue> | |
| <Residue name="CARG"> | |
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| <Atom name="OXT" type="394"/> | |
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| <Bond from="3" to="4"/> | |
| <Bond from="4" to="5"/> | |
| <Bond from="5" to="6"/> | |
| <Bond from="6" to="7"/> | |
| <Bond from="6" to="8"/> | |
| <Bond from="9" to="10"/> | |
| <Bond from="9" to="11"/> | |
| <ExternalBond from="0"/> | |
| </Residue> | |
| <Residue name="RUN"> | |
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| <Atom name="O4'" type="1932"/> | |
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| <Atom name="N1" type="1935"/> | |
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| <Bond from="3" to="4"/> | |
| <Bond from="4" to="5"/> | |
| <Bond from="4" to="14"/> | |
| <Bond from="5" to="6"/> | |
| <Bond from="5" to="11"/> | |
| <Bond from="6" to="7"/> | |
| <Bond from="7" to="8"/> | |
| <Bond from="8" to="9"/> | |
| <Bond from="8" to="10"/> | |
| <Bond from="10" to="11"/> | |
| <Bond from="11" to="12"/> | |
| <Bond from="13" to="14"/> | |
| <Bond from="13" to="16"/> | |
| <Bond from="14" to="15"/> | |
| </Residue> | |
| <Residue name="ALA"> | |
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| <Atom name="CB" type="4"/> | |
| <Atom name="C" type="6"/> | |
| <Atom name="O" type="7"/> | |
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| <Bond from="1" to="3"/> | |
| <Bond from="3" to="4"/> | |
| <ExternalBond from="0"/> | |
| <ExternalBond from="3"/> | |
| </Residue> | |
| <Residue name="MET"> | |
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| <Atom name="CA" type="248"/> | |
| <Atom name="CB" type="250"/> | |
| <Atom name="CG" type="252"/> | |
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| <Atom name="O" type="258"/> | |
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| <Bond from="1" to="6"/> | |
| <Bond from="2" to="3"/> | |
| <Bond from="3" to="4"/> | |
| <Bond from="4" to="5"/> | |
| <Bond from="6" to="7"/> | |
| <ExternalBond from="0"/> | |
| <ExternalBond from="6"/> | |
| </Residue> | |
| <Residue name="NME"> | |
| <Atom name="N" type="706"/> | |
| <Atom name="CH3" type="708"/> | |
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| </Residue> | |
| <Residue name="LEU"> | |
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| <Atom name="CA" type="202"/> | |
| <Atom name="CB" type="204"/> | |
| <Atom name="CG" type="206"/> | |
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| <Atom name="O" type="213"/> | |
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| <Bond from="1" to="2"/> | |
| <Bond from="1" to="6"/> | |
| <Bond from="2" to="3"/> | |
| <Bond from="3" to="4"/> | |
| <Bond from="3" to="5"/> | |
| <Bond from="6" to="7"/> | |
| <ExternalBond from="0"/> | |
| <ExternalBond from="6"/> | |
| </Residue> | |
| <Residue name="CSER"> | |
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| <Atom name="CA" type="624"/> | |
| <Atom name="CB" type="626"/> | |
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| <Atom name="OXT" type="632"/> | |
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| <Bond from="1" to="4"/> | |
| <Bond from="2" to="3"/> | |
| <Bond from="4" to="5"/> | |
| <Bond from="4" to="6"/> | |
| <ExternalBond from="0"/> | |
| </Residue> | |
| <Residue name="RC5"> | |
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| <Bond from="2" to="13"/> | |
| <Bond from="3" to="4"/> | |
| <Bond from="4" to="5"/> | |
| <Bond from="4" to="14"/> | |
| <Bond from="5" to="6"/> | |
| <Bond from="5" to="11"/> | |
| <Bond from="6" to="7"/> | |
| <Bond from="7" to="8"/> | |
| <Bond from="8" to="9"/> | |
| <Bond from="8" to="10"/> | |
| <Bond from="10" to="11"/> | |
| <Bond from="11" to="12"/> | |
| <Bond from="13" to="14"/> | |
| <Bond from="13" to="16"/> | |
| <Bond from="14" to="15"/> | |
| <ExternalBond from="16"/> | |
| </Residue> | |
| <Residue name="CCYS"> | |
| <Atom name="N" type="420"/> | |
| <Atom name="CA" type="422"/> | |
| <Atom name="CB" type="424"/> | |
| <Atom name="SG" type="426"/> | |
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| <Atom name="OXT" type="430"/> | |
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| <Bond from="1" to="2"/> | |
| <Bond from="1" to="4"/> | |
| <Bond from="2" to="3"/> | |
| <Bond from="4" to="5"/> | |
| <Bond from="4" to="6"/> | |
| <ExternalBond from="0"/> | |
| </Residue> | |
| <Residue name="CMET"> | |
| <Atom name="N" type="576"/> | |
| <Atom name="CA" type="578"/> | |
| <Atom name="CB" type="580"/> | |
| <Atom name="CG" type="582"/> | |
| <Atom name="SD" type="584"/> | |
| <Atom name="CE" type="585"/> | |
| <Atom name="C" type="587"/> | |
| <Atom name="O" type="588"/> | |
| <Atom name="OXT" type="589"/> | |
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| <Bond from="1" to="2"/> | |
| <Bond from="1" to="6"/> | |
| <Bond from="2" to="3"/> | |
| <Bond from="3" to="4"/> | |
| <Bond from="4" to="5"/> | |
| <Bond from="6" to="7"/> | |
| <Bond from="6" to="8"/> | |
| <ExternalBond from="0"/> | |
| </Residue> | |
| <Residue name="DC"> | |
| <Atom name="P" type="1144"/> | |
| <Atom name="O1P" type="1145"/> | |
| <Atom name="O2P" type="1146"/> | |
| <Atom name="O5'" type="1147"/> | |
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| <Bond from="0" to="2"/> | |
| <Bond from="0" to="3"/> | |
| <Bond from="3" to="4"/> | |
| <Bond from="4" to="5"/> | |
| <Bond from="5" to="6"/> | |
| <Bond from="5" to="16"/> | |
| <Bond from="6" to="7"/> | |
| <Bond from="7" to="8"/> | |
| <Bond from="7" to="17"/> | |
| <Bond from="8" to="9"/> | |
| <Bond from="8" to="14"/> | |
| <Bond from="9" to="10"/> | |
| <Bond from="10" to="11"/> | |
| <Bond from="11" to="12"/> | |
| <Bond from="11" to="13"/> | |
| <Bond from="13" to="14"/> | |
| <Bond from="14" to="15"/> | |
| <Bond from="16" to="17"/> | |
| <Bond from="16" to="18"/> | |
| <ExternalBond from="0"/> | |
| <ExternalBond from="18"/> | |
| </Residue> | |
| <Residue name="DA"> | |
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| <Bond from="0" to="2"/> | |
| <Bond from="0" to="3"/> | |
| <Bond from="3" to="4"/> | |
| <Bond from="4" to="5"/> | |
| <Bond from="5" to="6"/> | |
| <Bond from="5" to="18"/> | |
| <Bond from="6" to="7"/> | |
| <Bond from="7" to="8"/> | |
| <Bond from="7" to="19"/> | |
| <Bond from="8" to="9"/> | |
| <Bond from="8" to="17"/> | |
| <Bond from="9" to="10"/> | |
| <Bond from="10" to="11"/> | |
| <Bond from="11" to="12"/> | |
| <Bond from="11" to="17"/> | |
| <Bond from="12" to="13"/> | |
| <Bond from="12" to="14"/> | |
| <Bond from="14" to="15"/> | |
| <Bond from="15" to="16"/> | |
| <Bond from="16" to="17"/> | |
| <Bond from="18" to="19"/> | |
| <Bond from="18" to="20"/> | |
| <ExternalBond from="0"/> | |
| <ExternalBond from="20"/> | |
| </Residue> | |
| <Residue name="RCN"> | |
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| <Atom name="C5'" type="1688"/> | |
| <Atom name="C4'" type="1690"/> | |
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| <Bond from="2" to="13"/> | |
| <Bond from="3" to="4"/> | |
| <Bond from="4" to="5"/> | |
| <Bond from="4" to="14"/> | |
| <Bond from="5" to="6"/> | |
| <Bond from="5" to="11"/> | |
| <Bond from="6" to="7"/> | |
| <Bond from="7" to="8"/> | |
| <Bond from="8" to="9"/> | |
| <Bond from="8" to="10"/> | |
| <Bond from="10" to="11"/> | |
| <Bond from="11" to="12"/> | |
| <Bond from="13" to="14"/> | |
| <Bond from="13" to="16"/> | |
| <Bond from="14" to="15"/> | |
| </Residue> | |
| <Residue name="DT"> | |
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| <Atom name="O1P" type="1369"/> | |
| <Atom name="O2P" type="1370"/> | |
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| <Bond from="0" to="2"/> | |
| <Bond from="0" to="3"/> | |
| <Bond from="3" to="4"/> | |
| <Bond from="4" to="5"/> | |
| <Bond from="5" to="6"/> | |
| <Bond from="5" to="17"/> | |
| <Bond from="6" to="7"/> | |
| <Bond from="7" to="8"/> | |
| <Bond from="7" to="18"/> | |
| <Bond from="8" to="9"/> | |
| <Bond from="8" to="15"/> | |
| <Bond from="9" to="10"/> | |
| <Bond from="10" to="11"/> | |
| <Bond from="10" to="12"/> | |
| <Bond from="12" to="13"/> | |
| <Bond from="12" to="14"/> | |
| <Bond from="14" to="15"/> | |
| <Bond from="15" to="16"/> | |
| <Bond from="17" to="18"/> | |
| <Bond from="17" to="19"/> | |
| <ExternalBond from="0"/> | |
| <ExternalBond from="19"/> | |
| </Residue> | |
| <Residue name="CVAL"> | |
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| <Atom name="CA" type="693"/> | |
| <Atom name="CB" type="695"/> | |
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| <Atom name="O" type="702"/> | |
| <Atom name="OXT" type="703"/> | |
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| <Bond from="1" to="2"/> | |
| <Bond from="1" to="5"/> | |
| <Bond from="2" to="3"/> | |
| <Bond from="2" to="4"/> | |
| <Bond from="5" to="6"/> | |
| <Bond from="5" to="7"/> | |
| <ExternalBond from="0"/> | |
| </Residue> | |
| <Residue name="DAN"> | |
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| <Atom name="C5'" type="1118"/> | |
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| <Bond from="2" to="3"/> | |
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| <Bond from="3" to="4"/> | |
| <Bond from="4" to="5"/> | |
| <Bond from="4" to="16"/> | |
| <Bond from="5" to="6"/> | |
| <Bond from="5" to="14"/> | |
| <Bond from="6" to="7"/> | |
| <Bond from="7" to="8"/> | |
| <Bond from="8" to="9"/> | |
| <Bond from="8" to="14"/> | |
| <Bond from="9" to="10"/> | |
| <Bond from="9" to="11"/> | |
| <Bond from="11" to="12"/> | |
| <Bond from="12" to="13"/> | |
| <Bond from="13" to="14"/> | |
| <Bond from="15" to="16"/> | |
| <Bond from="15" to="17"/> | |
| </Residue> | |
| <Residue name="HIS"> | |
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| <Atom name="O" type="152"/> | |
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| <Bond from="2" to="3"/> | |
| <Bond from="3" to="4"/> | |
| <Bond from="3" to="7"/> | |
| <Bond from="4" to="5"/> | |
| <Bond from="5" to="6"/> | |
| <Bond from="6" to="7"/> | |
| <Bond from="8" to="9"/> | |
| <ExternalBond from="0"/> | |
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| </Residue> | |
| <Residue name="CYS"> | |
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| <Bond from="4" to="5"/> | |
| <ExternalBond from="0"/> | |
| <ExternalBond from="4"/> | |
| </Residue> | |
| <Residue name="Na+"> | |
| <Atom name="Na+" type="1959"/> | |
| </Residue> | |
| <Residue name="HOH"> | |
| <Atom name="O" type="tip3p-O"/> | |
| </Residue> | |
| <Residue name="Li+"> | |
| <Atom name="Li+" type="1957"/> | |
| </Residue> | |
| <Residue name="DA5"> | |
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| <Bond from="2" to="15"/> | |
| <Bond from="3" to="4"/> | |
| <Bond from="4" to="5"/> | |
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| <Bond from="5" to="6"/> | |
| <Bond from="5" to="14"/> | |
| <Bond from="6" to="7"/> | |
| <Bond from="7" to="8"/> | |
| <Bond from="8" to="9"/> | |
| <Bond from="8" to="14"/> | |
| <Bond from="9" to="10"/> | |
| <Bond from="9" to="11"/> | |
| <Bond from="11" to="12"/> | |
| <Bond from="12" to="13"/> | |
| <Bond from="13" to="14"/> | |
| <Bond from="15" to="16"/> | |
| <Bond from="15" to="17"/> | |
| <ExternalBond from="17"/> | |
| </Residue> | |
| <Residue name="CLYS"> | |
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| <Atom name="CA" type="561"/> | |
| <Atom name="CB" type="563"/> | |
| <Atom name="CG" type="565"/> | |
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| <Bond from="1" to="7"/> | |
| <Bond from="2" to="3"/> | |
| <Bond from="3" to="4"/> | |
| <Bond from="4" to="5"/> | |
| <Bond from="5" to="6"/> | |
| <Bond from="7" to="8"/> | |
| <Bond from="7" to="9"/> | |
| <ExternalBond from="0"/> | |
| </Residue> | |
| <Residue name="DA3"> | |
| <Atom name="P" type="1059"/> | |
| <Atom name="O1P" type="1060"/> | |
| <Atom name="O2P" type="1061"/> | |
| <Atom name="O5'" type="1062"/> | |
| <Atom name="C5'" type="1063"/> | |
| <Atom name="C4'" type="1065"/> | |
| <Atom name="O4'" type="1067"/> | |
| <Atom name="C1'" type="1068"/> | |
| <Atom name="N9" type="1070"/> | |
| <Atom name="C8" type="1071"/> | |
| <Atom name="N7" type="1073"/> | |
| <Atom name="C5" type="1074"/> | |
| <Atom name="C6" type="1075"/> | |
| <Atom name="N6" type="1076"/> | |
| <Atom name="N1" type="1078"/> | |
| <Atom name="C2" type="1079"/> | |
| <Atom name="N3" type="1081"/> | |
| <Atom name="C4" type="1082"/> | |
| <Atom name="C3'" type="1083"/> | |
| <Atom name="C2'" type="1085"/> | |
| <Atom name="O3'" type="1087"/> | |
| <Bond from="0" to="1"/> | |
| <Bond from="0" to="2"/> | |
| <Bond from="0" to="3"/> | |
| <Bond from="3" to="4"/> | |
| <Bond from="4" to="5"/> | |
| <Bond from="5" to="6"/> | |
| <Bond from="5" to="18"/> | |
| <Bond from="6" to="7"/> | |
| <Bond from="7" to="8"/> | |
| <Bond from="7" to="19"/> | |
| <Bond from="8" to="9"/> | |
| <Bond from="8" to="17"/> | |
| <Bond from="9" to="10"/> | |
| <Bond from="10" to="11"/> | |
| <Bond from="11" to="12"/> | |
| <Bond from="11" to="17"/> | |
| <Bond from="12" to="13"/> | |
| <Bond from="12" to="14"/> | |
| <Bond from="14" to="15"/> | |
| <Bond from="15" to="16"/> | |
| <Bond from="16" to="17"/> | |
| <Bond from="18" to="19"/> | |
| <Bond from="18" to="20"/> | |
| <ExternalBond from="0"/> | |
| </Residue> | |
| <Residue name="CILE"> | |
| <Atom name="N" type="529"/> | |
| <Atom name="CA" type="531"/> | |
| <Atom name="CB" type="533"/> | |
| <Atom name="CG2" type="535"/> | |
| <Atom name="CG1" type="537"/> | |
| <Atom name="CD1" type="539"/> | |
| <Atom name="C" type="541"/> | |
| <Atom name="O" type="542"/> | |
| <Atom name="OXT" type="543"/> | |
| <Bond from="0" to="1"/> | |
| <Bond from="1" to="2"/> | |
| <Bond from="1" to="6"/> | |
| <Bond from="2" to="3"/> | |
| <Bond from="2" to="4"/> | |
| <Bond from="4" to="5"/> | |
| <Bond from="6" to="7"/> | |
| <Bond from="6" to="8"/> | |
| <ExternalBond from="0"/> | |
| </Residue> | |
| <Residue name="CTYR"> | |
| <Atom name="N" type="670"/> | |
| <Atom name="CA" type="672"/> | |
| <Atom name="CB" type="674"/> | |
| <Atom name="CG" type="676"/> | |
| <Atom name="CD1" type="677"/> | |
| <Atom name="CE1" type="679"/> | |
| <Atom name="CZ" type="681"/> | |
| <Atom name="OH" type="682"/> | |
| <Atom name="CE2" type="684"/> | |
| <Atom name="CD2" type="686"/> | |
| <Atom name="C" type="688"/> | |
| <Atom name="O" type="689"/> | |
| <Atom name="OXT" type="690"/> | |
| <Bond from="0" to="1"/> | |
| <Bond from="1" to="2"/> | |
| <Bond from="1" to="10"/> | |
| <Bond from="2" to="3"/> | |
| <Bond from="3" to="4"/> | |
| <Bond from="3" to="9"/> | |
| <Bond from="4" to="5"/> | |
| <Bond from="5" to="6"/> | |
| <Bond from="6" to="7"/> | |
| <Bond from="6" to="8"/> | |
| <Bond from="8" to="9"/> | |
| <Bond from="10" to="11"/> | |
| <Bond from="10" to="12"/> | |
| <ExternalBond from="0"/> | |
| </Residue> | |
| <Residue name="RC3"> | |
| <Atom name="P" type="1629"/> | |
| <Atom name="O1P" type="1630"/> | |
| <Atom name="O2P" type="1631"/> | |
| <Atom name="O5'" type="1632"/> | |
| <Atom name="C5'" type="1633"/> | |
| <Atom name="C4'" type="1635"/> | |
| <Atom name="O4'" type="1637"/> | |
| <Atom name="C1'" type="1638"/> | |
| <Atom name="N1" type="1640"/> | |
| <Atom name="C6" type="1641"/> | |
| <Atom name="C5" type="1643"/> | |
| <Atom name="C4" type="1645"/> | |
| <Atom name="N4" type="1646"/> | |
| <Atom name="N3" type="1648"/> | |
| <Atom name="C2" type="1649"/> | |
| <Atom name="O2" type="1650"/> | |
| <Atom name="C3'" type="1651"/> | |
| <Atom name="C2'" type="1653"/> | |
| <Atom name="O2'" type="1655"/> | |
| <Atom name="O3'" type="1657"/> | |
| <Bond from="0" to="1"/> | |
| <Bond from="0" to="2"/> | |
| <Bond from="0" to="3"/> | |
| <Bond from="3" to="4"/> | |
| <Bond from="4" to="5"/> | |
| <Bond from="5" to="6"/> | |
| <Bond from="5" to="16"/> | |
| <Bond from="6" to="7"/> | |
| <Bond from="7" to="8"/> | |
| <Bond from="7" to="17"/> | |
| <Bond from="8" to="9"/> | |
| <Bond from="8" to="14"/> | |
| <Bond from="9" to="10"/> | |
| <Bond from="10" to="11"/> | |
| <Bond from="11" to="12"/> | |
| <Bond from="11" to="13"/> | |
| <Bond from="13" to="14"/> | |
| <Bond from="14" to="15"/> | |
| <Bond from="16" to="17"/> | |
| <Bond from="16" to="19"/> | |
| <Bond from="17" to="18"/> | |
| <ExternalBond from="0"/> | |
| </Residue> | |
| <Residue name="ARG"> | |
| <Atom name="N" type="8"/> | |
| <Atom name="CA" type="10"/> | |
| <Atom name="CB" type="12"/> | |
| <Atom name="CG" type="14"/> | |
| <Atom name="CD" type="16"/> | |
| <Atom name="NE" type="18"/> | |
| <Atom name="CZ" type="20"/> | |
| <Atom name="NH1" type="21"/> | |
| <Atom name="NH2" type="23"/> | |
| <Atom name="C" type="25"/> | |
| <Atom name="O" type="26"/> | |
| <Bond from="0" to="1"/> | |
| <Bond from="1" to="2"/> | |
| <Bond from="1" to="9"/> | |
| <Bond from="2" to="3"/> | |
| <Bond from="3" to="4"/> | |
| <Bond from="4" to="5"/> | |
| <Bond from="5" to="6"/> | |
| <Bond from="6" to="7"/> | |
| <Bond from="6" to="8"/> | |
| <Bond from="9" to="10"/> | |
| <ExternalBond from="0"/> | |
| <ExternalBond from="9"/> | |
| </Residue> | |
| <Residue name="CALA"> | |
| <Atom name="N" type="366"/> | |
| <Atom name="CA" type="368"/> | |
| <Atom name="CB" type="370"/> | |
| <Atom name="C" type="372"/> | |
| <Atom name="O" type="373"/> | |
| <Atom name="OXT" type="374"/> | |
| <Bond from="0" to="1"/> | |
| <Bond from="1" to="2"/> | |
| <Bond from="1" to="3"/> | |
| <Bond from="3" to="4"/> | |
| <Bond from="3" to="5"/> | |
| <ExternalBond from="0"/> | |
| </Residue> | |
| </Residues> | |
| <HarmonicBondForce> | |
| <Bond class1="C" class2="C" length="0.1525" k="10000"/> | |
| <Bond class1="C" class2="CA" length="0.1409" k="10000"/> | |
| <Bond class1="C" class2="CB" length="0.1419" k="10000"/> | |
| <Bond class1="C" class2="CM" length="0.1444" k="10000"/> | |
| <Bond class1="C" class2="CT" length="0.1522" k="10000"/> | |
| <Bond class1="C" class2="N" length="0.1335" k="10000"/> | |
| <Bond class1="C" class2="N*" length="0.1383" k="10000"/> | |
| <Bond class1="C" class2="NA" length="0.1388" k="10000"/> | |
| <Bond class1="C" class2="NC" length="0.1358" k="10000"/> | |
| <Bond class1="C" class2="O" length="0.1229" k="10000"/> | |
| <Bond class1="C" class2="O2" length="0.125" k="10000"/> | |
| <Bond class1="C" class2="OH" length="0.1364" k="10000"/> | |
| <Bond class1="C" class2="OS" length="0.1323" k="10000"/> | |
| <Bond class1="CA" class2="CA" length="0.14" k="10000"/> | |
| <Bond class1="CA" class2="CB" length="0.1404" k="10000"/> | |
| <Bond class1="CA" class2="CM" length="0.1433" k="10000"/> | |
| <Bond class1="CA" class2="CN" length="0.14" k="10000"/> | |
| <Bond class1="CA" class2="CT" length="0.151" k="10000"/> | |
| <Bond class1="CA" class2="N2" length="0.134" k="10000"/> | |
| <Bond class1="CA" class2="NA" length="0.1381" k="10000"/> | |
| <Bond class1="CA" class2="NC" length="0.1339" k="10000"/> | |
| <Bond class1="CA" class2="OH" length="0.1364" k="10000"/> | |
| <Bond class1="CB" class2="CB" length="0.137" k="10000"/> | |
| <Bond class1="CB" class2="N*" length="0.1374" k="10000"/> | |
| <Bond class1="CB" class2="NB" length="0.1391" k="10000"/> | |
| <Bond class1="CB" class2="NC" length="0.1354" k="10000"/> | |
| <Bond class1="CK" class2="N*" length="0.1371" k="10000"/> | |
| <Bond class1="CK" class2="NB" length="0.1304" k="10000"/> | |
| <Bond class1="CM" class2="CM" length="0.135" k="10000"/> | |
| <Bond class1="CM" class2="CT" length="0.151" k="10000"/> | |
| <Bond class1="CM" class2="N*" length="0.1365" k="10000"/> | |
| <Bond class1="CM" class2="OS" length="0.124" k="10000"/> | |
| <Bond class1="CQ" class2="NC" length="0.1324" k="10000"/> | |
| <Bond class1="CT" class2="CT" length="0.1526" k="10000"/> | |
| <Bond class1="CT" class2="N*" length="0.1475" k="10000"/> | |
| <Bond class1="CT" class2="N2" length="0.1463" k="10000"/> | |
| <Bond class1="CT" class2="OH" length="0.141" k="10000"/> | |
| <Bond class1="CT" class2="OS" length="0.141" k="10000"/> | |
| <Bond class1="C*" class2="CB" length="0.1459" k="10000"/> | |
| <Bond class1="C*" class2="CT" length="0.1495" k="10000"/> | |
| <Bond class1="C*" class2="CW" length="0.1352" k="10000"/> | |
| <Bond class1="CB" class2="CN" length="0.1419" k="10000"/> | |
| <Bond class1="CC" class2="CT" length="0.1504" k="10000"/> | |
| <Bond class1="CC" class2="CV" length="0.1375" k="10000"/> | |
| <Bond class1="CC" class2="CW" length="0.1371" k="10000"/> | |
| <Bond class1="CC" class2="NA" length="0.1385" k="10000"/> | |
| <Bond class1="CC" class2="NB" length="0.1394" k="10000"/> | |
| <Bond class1="CN" class2="NA" length="0.138" k="10000"/> | |
| <Bond class1="CR" class2="NA" length="0.1343" k="10000"/> | |
| <Bond class1="CR" class2="NB" length="0.1335" k="10000"/> | |
| <Bond class1="CT" class2="N" length="0.1449" k="10000"/> | |
| <Bond class1="CT" class2="N3" length="0.1471" k="10000"/> | |
| <Bond class1="CT" class2="S" length="0.181" k="10000"/> | |
| <Bond class1="CT" class2="SH" length="0.181" k="10000"/> | |
| <Bond class1="CV" class2="NB" length="0.1394" k="10000"/> | |
| <Bond class1="CW" class2="NA" length="0.1381" k="10000"/> | |
| <Bond class1="O2" class2="P" length="0.148" k="10000"/> | |
| <Bond class1="OH" class2="P" length="0.161" k="10000"/> | |
| <Bond class1="OS" class2="P" length="0.161" k="10000"/> | |
| <Bond class1="S" class2="S" length="0.2038" k="10000"/> | |
| <Bond class1="CT" class2="C3" length="0.1526" k="10000"/> | |
| <Bond class1="CT" class2="C4" length="0.1526" k="10000"/> | |
| <Bond class1="C6" class2="O2" length="0.125" k="10000"/> | |
| <Bond class1="CC" class2="O2" length="0.125" k="10000"/> | |
| <Bond class1="C5" class2="O" length="0.1229" k="10000"/> | |
| <Bond class1="C5" class2="N" length="0.1335" k="10000"/> | |
| <Bond class1="C5" class2="CT" length="0.1522" k="10000"/> | |
| <Bond class1="C6" class2="CT" length="0.1522" k="10000"/> | |
| </HarmonicBondForce> | |
| <HarmonicAngleForce> | |
| <Angle class1="C" class2="C" class3="O" angle="2.0944" k="10"/> | |
| <Angle class1="C" class2="C" class3="OH" angle="2.0944" k="10"/> | |
| <Angle class1="CA" class2="C" class3="CA" angle="2.0944" k="10"/> | |
| <Angle class1="CA" class2="C" class3="OH" angle="2.0944" k="10"/> | |
| <Angle class1="CB" class2="C" class3="NA" angle="1.94255" k="10"/> | |
| <Angle class1="CB" class2="C" class3="O" angle="2.24798" k="10"/> | |
| <Angle class1="CM" class2="C" class3="NA" angle="1.99142" k="10"/> | |
| <Angle class1="CM" class2="C" class3="O" angle="2.1869" k="10"/> | |
| <Angle class1="CT" class2="C" class3="O" angle="2.10138" k="10"/> | |
| <Angle class1="CT" class2="C" class3="O2" angle="2.04204" k="10"/> | |
| <Angle class1="CT" class2="C" class3="N" angle="2.03505" k="10"/> | |
| <Angle class1="CT" class2="C" class3="CT" angle="2.04204" k="10"/> | |
| <Angle class1="CT" class2="C" class3="OS" angle="2.00713" k="10"/> | |
| <Angle class1="CT" class2="C" class3="OH" angle="1.91986" k="10"/> | |
| <Angle class1="N*" class2="C" class3="NA" angle="2.01411" k="10"/> | |
| <Angle class1="N*" class2="C" class3="NC" angle="2.06996" k="10"/> | |
| <Angle class1="N*" class2="C" class3="O" angle="2.1101" k="10"/> | |
| <Angle class1="NA" class2="C" class3="O" angle="2.10487" k="10"/> | |
| <Angle class1="NC" class2="C" class3="O" angle="2.13803" k="10"/> | |
| <Angle class1="N" class2="C" class3="O" angle="2.14501" k="10"/> | |
| <Angle class1="O" class2="C" class3="O" angle="2.19911" k="10"/> | |
| <Angle class1="O" class2="C" class3="OH" angle="2.0944" k="10"/> | |
| <Angle class1="O" class2="C" class3="OS" angle="2.18166" k="10"/> | |
| <Angle class1="O2" class2="C" class3="O2" angle="2.19911" k="10"/> | |
| <Angle class1="C" class2="CA" class3="CA" angle="2.0944" k="10"/> | |
| <Angle class1="CA" class2="CA" class3="CA" angle="2.0944" k="10"/> | |
| <Angle class1="CA" class2="CA" class3="CB" angle="2.0944" k="10"/> | |
| <Angle class1="CA" class2="CA" class3="CT" angle="2.0944" k="10"/> | |
| <Angle class1="CA" class2="CA" class3="OH" angle="2.0944" k="10"/> | |
| <Angle class1="CA" class2="CA" class3="CN" angle="2.0944" k="10"/> | |
| <Angle class1="CB" class2="CA" class3="N2" angle="2.15548" k="10"/> | |
| <Angle class1="CB" class2="CA" class3="NC" angle="2.04727" k="10"/> | |
| <Angle class1="CM" class2="CA" class3="N2" angle="2.09614" k="10"/> | |
| <Angle class1="CM" class2="CA" class3="NC" angle="2.12058" k="10"/> | |
| <Angle class1="NA" class2="CA" class3="NC" angle="2.15199" k="10"/> | |
| <Angle class1="N2" class2="CA" class3="NA" angle="2.02458" k="10"/> | |
| <Angle class1="N2" class2="CA" class3="NC" angle="2.08218" k="10"/> | |
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| <Angle class1="C" class2="CB" class3="CB" angle="2.08043" k="10"/> | |
| <Angle class1="C" class2="CB" class3="NB" angle="2.26893" k="10"/> | |
| <Angle class1="CA" class2="CB" class3="CB" angle="2.04727" k="10"/> | |
| <Angle class1="CA" class2="CB" class3="NB" angle="2.31082" k="10"/> | |
| <Angle class1="CB" class2="CB" class3="N*" angle="1.85354" k="10"/> | |
| <Angle class1="CB" class2="CB" class3="NB" angle="1.92684" k="10"/> | |
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| <Angle class1="C*" class2="CB" class3="CA" angle="2.35445" k="10"/> | |
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| <Angle class1="N*" class2="CK" class3="NB" angle="1.98793" k="10"/> | |
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| <Angle class1="CB" class2="C*" class3="CT" angle="2.24449" k="10"/> | |
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| <Angle class1="CT" class2="N" class3="CT" angle="2.05949" k="10"/> | |
| <Angle class1="C" class2="N*" class3="CM" angle="2.12232" k="10"/> | |
| <Angle class1="C" class2="N*" class3="CT" angle="2.05251" k="10"/> | |
| <Angle class1="CB" class2="N*" class3="CK" angle="1.83958" k="10"/> | |
| <Angle class1="CB" class2="N*" class3="CT" angle="2.19562" k="10"/> | |
| <Angle class1="CK" class2="N*" class3="CT" angle="2.24798" k="10"/> | |
| <Angle class1="CM" class2="N*" class3="CT" angle="2.11534" k="10"/> | |
| <Angle class1="CA" class2="N2" class3="CT" angle="2.15025" k="10"/> | |
| <Angle class1="CT" class2="N3" class3="CT" angle="1.91114" k="10"/> | |
| <Angle class1="C" class2="NA" class3="C" angle="2.2061" k="10"/> | |
| <Angle class1="C" class2="NA" class3="CA" angle="2.18515" k="10"/> | |
| <Angle class1="CC" class2="NA" class3="CR" angle="2.0944" k="10"/> | |
| <Angle class1="CR" class2="NA" class3="CW" angle="2.0944" k="10"/> | |
| <Angle class1="CN" class2="NA" class3="CW" angle="1.94779" k="10"/> | |
| <Angle class1="CB" class2="NB" class3="CK" angle="1.81165" k="10"/> | |
| <Angle class1="CC" class2="NB" class3="CR" angle="2.04204" k="10"/> | |
| <Angle class1="CR" class2="NB" class3="CV" angle="2.04204" k="10"/> | |
| <Angle class1="C" class2="NC" class3="CA" angle="2.10312" k="10"/> | |
| <Angle class1="CA" class2="NC" class3="CB" angle="1.95826" k="10"/> | |
| <Angle class1="CA" class2="NC" class3="CQ" angle="2.06996" k="10"/> | |
| <Angle class1="CB" class2="NC" class3="CQ" angle="1.93732" k="10"/> | |
| <Angle class1="C" class2="OS" class3="CT" angle="2.04204" k="10"/> | |
| <Angle class1="CM" class2="OS" class3="CT" angle="2.04204" k="10"/> | |
| <Angle class1="CT" class2="OS" class3="CT" angle="1.91114" k="10"/> | |
| <Angle class1="CT" class2="OS" class3="P" angle="2.10312" k="10"/> | |
| <Angle class1="P" class2="OS" class3="P" angle="2.10312" k="10"/> | |
| <Angle class1="O2" class2="P" class3="OH" angle="1.88897" k="10"/> | |
| <Angle class1="O2" class2="P" class3="O2" angle="2.09265" k="10"/> | |
| <Angle class1="O2" class2="P" class3="OS" angle="1.88897" k="10"/> | |
| <Angle class1="OH" class2="P" class3="OS" angle="1.79071" k="10"/> | |
| <Angle class1="OS" class2="P" class3="OS" angle="1.79071" k="10"/> | |
| <Angle class1="CT" class2="S" class3="CT" angle="1.72613" k="10"/> | |
| <Angle class1="CT" class2="S" class3="S" angle="1.80991" k="10"/> | |
| <Angle class1="CT" class2="C5" class3="O" angle="2.10138" k="10"/> | |
| <Angle class1="CT" class2="C6" class3="O2" angle="2.04204" k="10"/> | |
| <Angle class1="CT" class2="CC" class3="O2" angle="2.04204" k="10"/> | |
| <Angle class1="CT" class2="C5" class3="N" angle="2.03505" k="10"/> | |
| <Angle class1="N" class2="C5" class3="O" angle="2.14501" k="10"/> | |
| <Angle class1="O2" class2="C6" class3="O2" angle="2.19911" k="10"/> | |
| <Angle class1="O2" class2="CC" class3="O2" angle="2.19911" k="10"/> | |
| <Angle class1="C5" class2="CT" class3="CT" angle="1.93906" k="10"/> | |
| <Angle class1="C6" class2="CT" class3="CT" angle="1.93906" k="10"/> | |
| <Angle class1="CT" class2="C4" class3="CT" angle="1.91114" k="10"/> | |
| <Angle class1="CT" class2="CT" class3="C4" angle="1.91114" k="10"/> | |
| <Angle class1="CT" class2="CT" class3="C3" angle="1.91114" k="10"/> | |
| </HarmonicAngleForce> | |
| <PeriodicTorsionForce> | |
| <Proper class1="C" class2="C6" class3="CT" class4="C" periodicity1="2" phase1="0" k1="0" /> | |
| <Proper class1="C" class2="C5" class3="CT" class4="C" periodicity1="2" phase1="0" k1="0" /> | |
| <Proper class1="C" class2="C" class3="CT" class4="C" periodicity1="2" phase1="0" k1="0" /> | |
| <Proper class1="O2" class2="C6" class3="CT" class4="CT" periodicity1="6" phase1="3.14159" k1="0.0554501" periodicity2="4" phase2="3.14159" k2="0.575718" periodicity3="2" phase3="3.14159" k3="1.85435" /> | |
| <Proper class1="N" class2="C5" class3="CT" class4="CT" periodicity1="6" phase1="3.14159" k1="0.443726" periodicity2="5" phase2="0" k2="0.543083" periodicity3="4" phase3="0" k3="0.419655" periodicity4="3" phase4="3.14159" k4="0.148114" periodicity5="2" phase5="3.14159" k5="0.757304" periodicity6="1" phase6="3.14159" k6="4.37772" /> | |
| <Proper class1="C" class2="C5" class3="N" class4="C" periodicity1="2" phase1="3.14159" k1="10.46" /> | |
| <Proper class1="C" class2="CT" class3="CT" class4="C5" periodicity1="6" phase1="3.14159" k1="0.421417" periodicity2="5" phase2="0" k2="0.435973" periodicity3="4" phase3="3.14159" k3="1.74556" periodicity4="3" phase4="0" k4="0.495804" periodicity5="2" phase5="3.14159" k5="2.49241" periodicity6="1" phase6="0" k6="2.38781" /> | |
| <Proper class1="N" class2="CT" class3="CT" class4="C6" periodicity1="6" phase1="3.14159" k1="0.890094" periodicity2="5" phase2="0" k2="0.969433" periodicity3="4" phase3="0" k3="1.76858" periodicity4="3" phase4="3.14159" k4="0.0284512" periodicity5="2" phase5="3.14159" k5="4.98022" periodicity6="1" phase6="3.14159" k6="11.0257" /> | |
| <Proper class1="C" class2="CT" class3="CT" class4="C4" periodicity1="3" phase1="0" k1="0.564003" periodicity2="2" phase2="3.14159" k2="1.49913" periodicity3="1" phase3="0" k3="2.39074" /> | |
| <Proper class1="N" class2="CT" class3="CT" class4="C3" periodicity1="2" phase1="3.14159" k1="3.53925" periodicity2="1" phase2="0" k2="0.816298" /> | |
| <Proper class1="CT" class2="C4" class3="CT" class4="CT" periodicity1="3" phase1="0" k1="0.75312" periodicity2="2" phase2="3.14159" k2="1.046" periodicity3="1" phase3="3.14159" k3="0.8368" /> | |
| <Proper class1="CT" class2="CT" class3="CT" class4="C3" periodicity1="3" phase1="0" k1="0.75312" periodicity2="2" phase2="3.14159" k2="1.046" periodicity3="1" phase3="3.14159" k3="0.8368" /> | |
| <Proper class1="CT" class2="CT" class3="C" class4="N" periodicity1="4" phase1="0" k1="0" periodicity2="3" phase2="0" k2="1.6736" periodicity3="2" phase3="0" k3="0.8368" periodicity4="1" phase4="0" k4="0.8368" /> | |
| <Proper class1="CT" class2="CT" class3="N" class4="C" periodicity1="4" phase1="0" k1="0" periodicity2="3" phase2="0" k2="1.6736" periodicity3="2" phase3="0" k3="8.368" periodicity4="1" phase4="0" k4="8.368" /> | |
| <Proper class1="N" class2="CT" class3="C" class4="N" periodicity1="4" phase1="0" k1="0" periodicity2="3" phase2="3.14159" k2="2.3012" periodicity3="2" phase3="3.14159" k3="6.61072" periodicity4="1" phase4="3.14159" k4="1.8828" /> | |
| <Proper class1="C" class2="N" class3="CT" class4="C" periodicity1="4" phase1="0" k1="0" periodicity2="3" phase2="0" k2="1.75728" periodicity3="2" phase3="0" k3="1.12968" periodicity4="1" phase4="0" k4="0" /> | |
| <Proper class1="OH" class2="CT" class3="CT" class4="OH" periodicity1="3" phase1="0" k1="0.602496" periodicity2="2" phase2="0" k2="4.9162" /> | |
| <Proper class1="OS" class2="CT" class3="CT" class4="OH" periodicity1="3" phase1="0" k1="0.602496" periodicity2="2" phase2="0" k2="4.9162" /> | |
| <Proper class1="OS" class2="CT" class3="CT" class4="OS" periodicity1="3" phase1="0" k1="0.602496" periodicity2="2" phase2="0" k2="4.9162" /> | |
| <Proper class1="OS" class2="CT" class3="N*" class4="CM" periodicity1="2" phase1="0" k1="0" periodicity2="1" phase2="0" k2="10.46" /> | |
| <Proper class1="OS" class2="CT" class3="N*" class4="CK" periodicity1="2" phase1="0" k1="0" periodicity2="1" phase2="0" k2="10.46" /> | |
| <Proper class1="O" class2="C" class3="OS" class4="CT" periodicity1="2" phase1="3.14159" k1="11.2968" periodicity2="1" phase2="3.14159" k2="5.8576" /> | |
| <Proper class1="CT" class2="OS" class3="CT" class4="N*" periodicity1="3" phase1="0" k1="1.60247" periodicity2="2" phase2="0" k2="2.7196" /> | |
| <Proper class1="CT" class2="OS" class3="CT" class4="OS" periodicity1="3" phase1="0" k1="0.4184" periodicity2="2" phase2="3.14159" k2="3.5564" periodicity3="1" phase3="3.14159" k3="5.6484" /> | |
| <Proper class1="CT" class2="CT" class3="OS" class4="C" periodicity1="3" phase1="0" k1="1.60247" periodicity2="1" phase2="3.14159" k2="3.3472" /> | |
| <Proper class1="CT" class2="CT" class3="OS" class4="CT" periodicity1="3" phase1="0" k1="1.60247" periodicity2="2" phase2="3.14159" k2="0.4184" /> | |
| <Proper class1="CT" class2="CT" class3="CT" class4="CT" periodicity1="3" phase1="0" k1="0.75312" periodicity2="2" phase2="3.14159" k2="1.046" periodicity3="1" phase3="3.14159" k3="0.8368" /> | |
| <Proper class1="CT" class2="CM" class3="CM" class4="CT" periodicity1="2" phase1="3.14159" k1="27.8236" periodicity2="1" phase2="3.14159" k2="7.9496" /> | |
| <Proper class1="CM" class2="CM" class3="C" class4="O" periodicity1="2" phase1="3.14159" k1="9.1002" periodicity2="3" phase2="0" k2="1.2552" /> | |
| <Proper class1="OS" class2="P" class3="OS" class4="CT" periodicity1="3" phase1="0" k1="1.046" periodicity2="2" phase2="0" k2="5.0208" /> | |
| <Proper class1="OH" class2="P" class3="OS" class4="CT" periodicity1="3" phase1="0" k1="1.046" periodicity2="2" phase2="0" k2="5.0208" /> | |
| <Proper class1="CT" class2="S" class3="S" class4="CT" periodicity1="2" phase1="0" k1="14.644" periodicity2="3" phase2="0" k2="2.5104" /> | |
| <Proper class1="C" class2="OS" class3="P" class4="C" periodicity1="3" phase1="0" k1="1.046" /> | |
| <Proper class1="C" class2="OH" class3="P" class4="C" periodicity1="3" phase1="0" k1="1.046" /> | |
| <Proper class1="C" class2="CW" class3="NA" class4="C" periodicity1="2" phase1="3.14159" k1="6.276" /> | |
| <Proper class1="C" class2="CV" class3="NB" class4="C" periodicity1="2" phase1="3.14159" k1="10.0416" /> | |
| <Proper class1="C" class2="CR" class3="NB" class4="C" periodicity1="2" phase1="3.14159" k1="20.92" /> | |
| <Proper class1="C" class2="CR" class3="NA" class4="C" periodicity1="2" phase1="3.14159" k1="9.7278" /> | |
| <Proper class1="C" class2="C*" class3="CW" class4="C" periodicity1="2" phase1="3.14159" k1="27.3006" /> | |
| <Proper class1="C" class2="C*" class3="CT" class4="C" periodicity1="2" phase1="0" k1="0" /> | |
| <Proper class1="C" class2="C*" class3="CB" class4="C" periodicity1="2" phase1="3.14159" k1="7.0082" /> | |
| <Proper class1="C" class2="CT" class3="SH" class4="C" periodicity1="3" phase1="0" k1="1.046" /> | |
| <Proper class1="C" class2="CT" class3="S" class4="C" periodicity1="3" phase1="0" k1="1.39467" /> | |
| <Proper class1="C" class2="CT" class3="OS" class4="C" periodicity1="3" phase1="0" k1="1.60387" /> | |
| <Proper class1="C" class2="CT" class3="OH" class4="C" periodicity1="3" phase1="0" k1="0.697333" /> | |
| <Proper class1="C" class2="CT" class3="N3" class4="C" periodicity1="3" phase1="0" k1="0.650844" /> | |
| <Proper class1="C" class2="CT" class3="N2" class4="C" periodicity1="3" phase1="0" k1="0" /> | |
| <Proper class1="C" class2="CT" class3="N*" class4="C" periodicity1="2" phase1="0" k1="0" /> | |
| <Proper class1="C" class2="CT" class3="N" class4="C" periodicity1="2" phase1="0" k1="0" /> | |
| <Proper class1="C" class2="CT" class3="CT" class4="C" periodicity1="3" phase1="0" k1="0.650844" /> | |
| <Proper class1="C" class2="CQ" class3="NC" class4="C" periodicity1="2" phase1="3.14159" k1="28.4512" /> | |
| <Proper class1="C" class2="CN" class3="NA" class4="C" periodicity1="2" phase1="3.14159" k1="6.3806" /> | |
| <Proper class1="C" class2="CM" class3="OS" class4="C" periodicity1="2" phase1="3.14159" k1="4.3932" /> | |
| <Proper class1="C" class2="CM" class3="N*" class4="C" periodicity1="2" phase1="3.14159" k1="7.7404" /> | |
| <Proper class1="C" class2="CM" class3="CT" class4="C" periodicity1="3" phase1="0" k1="0" /> | |
| <Proper class1="C" class2="CM" class3="CM" class4="C" periodicity1="2" phase1="3.14159" k1="27.8236" /> | |
| <Proper class1="C" class2="CK" class3="NB" class4="C" periodicity1="2" phase1="3.14159" k1="41.84" /> | |
| <Proper class1="C" class2="CK" class3="N*" class4="C" periodicity1="2" phase1="3.14159" k1="7.1128" /> | |
| <Proper class1="C" class2="CC" class3="NB" class4="C" periodicity1="2" phase1="3.14159" k1="10.0416" /> | |
| <Proper class1="C" class2="CC" class3="NA" class4="C" periodicity1="2" phase1="3.14159" k1="5.8576" /> | |
| <Proper class1="C" class2="CC" class3="CW" class4="C" periodicity1="2" phase1="3.14159" k1="22.489" /> | |
| <Proper class1="C" class2="CC" class3="CV" class4="C" periodicity1="2" phase1="3.14159" k1="21.5476" /> | |
| <Proper class1="C" class2="CC" class3="CT" class4="C" periodicity1="2" phase1="0" k1="0" /> | |
| <Proper class1="C" class2="CB" class3="NC" class4="C" periodicity1="2" phase1="3.14159" k1="17.3636" /> | |
| <Proper class1="C" class2="CB" class3="NB" class4="C" periodicity1="2" phase1="3.14159" k1="10.6692" /> | |
| <Proper class1="C" class2="CB" class3="N*" class4="C" periodicity1="2" phase1="3.14159" k1="6.9036" /> | |
| <Proper class1="C" class2="CB" class3="CN" class4="C" periodicity1="2" phase1="3.14159" k1="12.552" /> | |
| <Proper class1="C" class2="CB" class3="CB" class4="C" periodicity1="2" phase1="3.14159" k1="22.8028" /> | |
| <Proper class1="C" class2="CA" class3="OH" class4="C" periodicity1="2" phase1="3.14159" k1="3.7656" /> | |
| <Proper class1="C" class2="CA" class3="NC" class4="C" periodicity1="2" phase1="3.14159" k1="20.0832" /> | |
| <Proper class1="C" class2="CA" class3="NA" class4="C" periodicity1="2" phase1="3.14159" k1="6.276" /> | |
| <Proper class1="C" class2="CA" class3="N2" class4="C" periodicity1="2" phase1="3.14159" k1="10.0416" /> | |
| <Proper class1="C" class2="CA" class3="CT" class4="C" periodicity1="2" phase1="0" k1="0" /> | |
| <Proper class1="C" class2="CA" class3="CN" class4="C" periodicity1="2" phase1="3.14159" k1="15.167" /> | |
| <Proper class1="C" class2="CA" class3="CM" class4="C" periodicity1="2" phase1="3.14159" k1="10.6692" /> | |
| <Proper class1="C" class2="CA" class3="CB" class4="C" periodicity1="2" phase1="3.14159" k1="14.644" /> | |
| <Proper class1="C" class2="CA" class3="CA" class4="C" periodicity1="2" phase1="3.14159" k1="15.167" /> | |
| <Proper class1="C" class2="C" class3="OS" class4="C" periodicity1="2" phase1="3.14159" k1="11.2968" /> | |
| <Proper class1="C" class2="C" class3="OH" class4="C" periodicity1="2" phase1="3.14159" k1="9.6232" /> | |
| <Proper class1="C" class2="C" class3="O" class4="C" periodicity1="2" phase1="3.14159" k1="11.7152" /> | |
| <Proper class1="C" class2="C" class3="NC" class4="C" periodicity1="2" phase1="3.14159" k1="16.736" /> | |
| <Proper class1="C" class2="C" class3="NA" class4="C" periodicity1="2" phase1="3.14159" k1="5.6484" /> | |
| <Proper class1="C" class2="C" class3="N*" class4="C" periodicity1="2" phase1="3.14159" k1="6.0668" /> | |
| <Proper class1="C" class2="C" class3="N" class4="C" periodicity1="2" phase1="3.14159" k1="10.46" /> | |
| <Proper class1="C" class2="C" class3="CM" class4="C" periodicity1="2" phase1="3.14159" k1="9.1002" /> | |
| <Proper class1="C" class2="C" class3="CB" class4="C" periodicity1="2" phase1="3.14159" k1="12.552" /> | |
| <Proper class1="C" class2="C" class3="CA" class4="C" periodicity1="2" phase1="3.14159" k1="15.167" /> | |
| <Proper class1="C" class2="C" class3="C" class4="C" periodicity1="2" phase1="3.14159" k1="15.167" /> | |
| <Improper class1="C5" class2="C" class3="C" class4="O" periodicity1="2" phase1="3.14159" k1="43.932" /> | |
| <Improper class1="C6" class2="C" class3="O2" class4="O2" periodicity1="2" phase1="3.14159" k1="43.932" /> | |
| <Improper class1="N" class2="C5" class3="CT" class4="O" periodicity1="2" phase1="3.14159" k1="4.6024" /> | |
| <Improper class1="N" class2="C" class3="CT" class4="O" periodicity1="2" phase1="3.14159" k1="4.6024" /> | |
| <Improper class1="CA" class2="CA" class3="CA" class4="OH" periodicity1="2" phase1="3.14159" k1="4.6024" /> | |
| <Improper class1="C" class2="CA" class3="CA" class4="OH" periodicity1="2" phase1="3.14159" k1="4.6024" /> | |
| <Improper class1="CA" class2="N2" class3="NA" class4="NC" periodicity1="2" phase1="3.14159" k1="4.6024" /> | |
| <Improper class1="CA" class2="CB" class3="N2" class4="NC" periodicity1="2" phase1="3.14159" k1="4.6024" /> | |
| <Improper class1="CA" class2="CM" class3="N2" class4="NC" periodicity1="2" phase1="3.14159" k1="4.6024" /> | |
| <Improper class1="CM" class2="C" class3="CM" class4="CT" periodicity1="2" phase1="3.14159" k1="4.6024" /> | |
| <Improper class1="CA" class2="CA" class3="CA" class4="CT" periodicity1="2" phase1="3.14159" k1="4.6024" /> | |
| <Improper class1="C*" class2="CB" class3="CT" class4="CW" periodicity1="2" phase1="3.14159" k1="4.6024" /> | |
| <Improper class1="CC" class2="CT" class3="CW" class4="NA" periodicity1="2" phase1="3.14159" k1="4.6024" /> | |
| <Improper class1="CC" class2="CT" class3="CW" class4="NB" periodicity1="2" phase1="3.14159" k1="4.6024" /> | |
| <Improper class1="CC" class2="CT" class3="CV" class4="NA" periodicity1="2" phase1="3.14159" k1="4.6024" /> | |
| <Improper class1="C" class2="CT" class3="O" class4="OH" periodicity1="2" phase1="3.14159" k1="43.932" /> | |
| <Improper class1="N*" class2="C" class3="CM" class4="CT" periodicity1="2" phase1="3.14159" k1="4.184" /> | |
| <Improper class1="N*" class2="CB" class3="CK" class4="CT" periodicity1="2" phase1="3.14159" k1="4.184" /> | |
| <Improper class1="N" class2="C" class3="CT" class4="CT" periodicity1="2" phase1="3.14159" k1="4.184" /> | |
| <Improper class1="CA" class2="C" class3="N2" class4="N2" periodicity1="2" phase1="3.14159" k1="43.932" /> | |
| <Improper class1="C" class2="C" class3="O2" class4="O2" periodicity1="2" phase1="3.14159" k1="43.932" /> | |
| <Improper class1="C" class2="C" class3="C" class4="O" periodicity1="2" phase1="3.14159" k1="43.932" /> | |
| </PeriodicTorsionForce> | |
| <Script> | |
| import openmm as mm | |
| nb = mm.CustomNonbondedForce('C/((r/0.2)^4+1)') | |
| nb.addGlobalParameter('C', 1.0) | |
| sys.addForce(nb) | |
| for i in range(sys.getNumParticles()): | |
| nb.addParticle([]) | |
| exclusions = set() | |
| for bond in data.bonds: | |
| exclusions.add((min(bond.atom1, bond.atom2), max(bond.atom1, bond.atom2))) | |
| for angle in data.angles: | |
| exclusions.add((min(angle[0], angle[2]), max(angle[0], angle[2]))) | |
| for a1, a2 in exclusions: | |
| nb.addExclusion(a1, a2) | |
| </Script> | |
| </ForceField> | |