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4QS

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CABOAWsing1.43Å1.45Å
OAWCBLsing1.43Å1.45Å
CBLCAQsing1.51Å1.39Å
CBLCBOsing1.53Å1.61Å
CAQCAOdoub1.34Å1.39Å
CAOCAPsing1.46Å1.39Å
CAPCBAdoub1.35Å1.39Å
CBACADsing1.51Å1.39Å
CBACBCsing1.46Å1.39Å
CBCOAKdoub1.22Å1.23Å
CBCNAUsing1.37Å1.38Å
NAUCBFsing1.39Å1.39Å
CBFCBIsing1.49Å1.40Å
CBFCBDdoub1.35Å1.42Å
CBIOAMdoub1.21Å1.24Å
CBICBEsing1.47Å1.41Å
CBDCAFsing1.51Å1.40Å
CBDCBHsing1.46Å1.40Å
CBHOALdoub1.21Å1.23Å
CBHCBGsing1.49Å1.40Å
CBGOAVsing1.35Å1.36Å
CBGCBEdoub1.35Å1.40Å
OAVCAAsing1.43Å1.44Å
CBECASsing1.51Å1.41Å
CASCBJsing1.53Å1.59Å
CBJCAGsing1.53Å1.53Å
CBJCATsing1.53Å1.57Å
CATCBMsing1.53Å1.56Å
CBMOAXsing1.43Å1.46Å
CBMCBNsing1.53Å1.54Å
OAXCACsing1.43Å1.46Å
CBNOANsing1.43Å1.49Å
CBNCBKsing1.53Å1.59Å
CBKCAHsing1.53Å1.53Å
CBKCARsing1.51Å1.44Å
CARCBBdoub1.31Å1.41Å
CBBCAEsing1.51Å1.38Å
CBBCBOsing1.51Å1.41Å
CBOOAYsing1.45Å1.43Å
OAYCAZsing1.35Å1.38Å
CAZOAJdoub1.22Å1.24Å
CAZNAIsing1.35Å1.34Å
CABHAB1sing1.09Å1.10Å
CABHAB2sing1.09Å1.10Å
CABHAB3sing1.09Å1.10Å
CBLHBLsing1.09Å1.10Å
CAQHAQsing1.08Å1.08Å
CAOHAOsing1.08Å1.08Å
CAPHAP1sing1.08Å1.08Å
CADHAD1sing1.09Å1.10Å
CADHAD2sing1.09Å1.10Å
CADHAD3sing1.09Å1.10Å
NAUHAUsing0.97Å1.00Å
CAFHAF1sing1.09Å1.10Å
CAFHAF2sing1.09Å1.10Å
CAFHAF3sing1.09Å1.10Å
CAAHAA1sing1.09Å1.10Å
CAAHAA2sing1.09Å1.10Å
CAAHAA3sing1.09Å1.10Å
CASHAS1sing1.09Å1.10Å
CASHAS2sing1.09Å1.10Å
CBJHBJsing1.09Å1.10Å
CAGHAG1sing1.09Å1.10Å
CAGHAG2sing1.09Å1.10Å
CAGHAG3sing1.09Å1.10Å
CATHAT1sing1.09Å1.10Å
CATHAT2sing1.09Å1.10Å
CBMHBMsing1.09Å1.10Å
CBNHBNsing1.09Å1.10Å
CACHAC1sing1.09Å1.10Å
CACHAC2sing1.09Å1.10Å
CACHAC3sing1.09Å1.10Å
OANHANsing0.97Å0.95Å
CBKHBKsing1.09Å1.10Å
CAHHAH1sing1.09Å1.10Å
CAHHAH2sing1.09Å1.10Å
CAHHAH3sing1.09Å1.10Å
CARHAR1sing1.08Å1.08Å
CAEHAE1sing1.09Å1.10Å
CAEHAE2sing1.09Å1.10Å
CAEHAE3sing1.09Å1.10Å
CBOHBOsing1.09Å1.10Å
NAIHAI1sing0.97Å1.00Å
NAIHAI2sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CABOAWCBL118.0°114.0°
OAWCABHAB1109.5°109.5°
OAWCABHAB2109.5°109.4°
OAWCABHAB3109.5°109.5°
OAWCBLCAQ103.7°109.4°
OAWCBLCBO115.9°109.4°
OAWCBLHBL107.0°109.4°
CAQCBLCBO116.7°110.0°
CBLCAQCAO121.9°120.5°
CAQCBLHBL107.7°109.3°
CBLCAQHAQ119.1°119.9°
CBLCBOCBB117.9°109.0°
CBLCBOOAY113.6°109.5°
CBOCBLHBL105.3°109.3°
CBLCBOHBO104.5°109.6°
CAQCAOCAP118.1°119.6°
CAOCAQHAQ119.0°119.6°
CAQCAOHAO121.0°120.1°
CAOCAPCBA123.2°121.2°
CAPCAOHAO121.0°120.3°
CAOCAPHAP1118.4°119.4°
CAPCBACAD118.6°119.8°
CAPCBACBC121.4°120.9°
CBACAPHAP1118.4°119.3°
CADCBACBC118.8°119.3°
CBACADHAD1109.5°109.4°
CBACADHAD2109.5°109.4°
CBACADHAD3109.5°109.5°
CBACBCOAK119.1°120.9°
CBACBCNAU120.0°118.1°
OAKCBCNAU112.2°121.0°
CBCNAUCBF128.3°117.2°
CBCNAUHAU115.8°121.5°
NAUCBFCBI116.5°120.3°
NAUCBFCBD122.0°119.6°
CBFNAUHAU115.8°121.4°
CBICBFCBD121.5°120.1°
CBFCBIOAM119.2°120.0°
CBFCBICBE119.9°120.0°
CBFCBDCAF122.5°120.1°
CBFCBDCBH118.6°119.9°
OAMCBICBE120.9°120.0°
CBICBECBG117.9°119.9°
CBICBECAS120.4°120.2°
CAFCBDCBH118.9°120.1°
CBDCAFHAF1109.5°109.5°
CBDCAFHAF2109.4°109.5°
CBDCAFHAF3109.4°109.5°
CBDCBHOAL120.6°119.9°
CBDCBHCBG119.6°120.1°
OALCBHCBG119.8°120.0°
CBHCBGOAV117.8°119.9°
CBHCBGCBE122.5°120.1°
OAVCBGCBE119.7°120.0°
CBGOAVCAA110.7°117.0°
CBGCBECAS121.7°119.9°
OAVCAAHAA1109.5°109.5°
OAVCAAHAA2109.5°109.5°
OAVCAAHAA3109.4°109.5°
CBECASCBJ111.8°109.6°
CBECASHAS1108.9°109.5°
CBECASHAS2108.9°109.5°
CASCBJCAG111.8°109.5°
CASCBJCAT111.7°109.4°
CBJCASHAS1108.9°109.5°
CBJCASHAS2108.9°109.5°
CASCBJHBJ106.8°109.5°
CAGCBJCAT111.9°109.5°
CAGCBJHBJ107.4°109.5°
CBJCAGHAG1109.5°109.5°
CBJCAGHAG2109.5°109.5°
CBJCAGHAG3109.4°109.5°
CBJCATCBM116.4°109.3°
CATCBJHBJ107.0°109.5°
CBJCATHAT1107.7°109.5°
CBJCATHAT2107.7°109.5°
CATCBMOAX111.2°109.4°
CATCBMCBN112.2°109.6°
CBMCATHAT1107.7°109.5°
CBMCATHAT2107.7°109.5°
CATCBMHBM108.2°109.5°
OAXCBMCBN107.3°109.5°
CBMOAXCAC116.8°114.0°
OAXCBMHBM109.5°109.5°
CBMCBNOAN110.5°109.5°
CBMCBNCBK115.8°109.4°
CBNCBMHBM108.5°109.4°
CBMCBNHBN104.6°109.5°
OAXCACHAC1109.5°109.4°
OAXCACHAC2109.5°109.5°
OAXCACHAC3109.5°109.5°
OANCBNCBK115.2°109.5°
OANCBNHBN105.1°109.5°
CBNOANHAN109.5°114.1°
CBNCBKCAH109.3°109.5°
CBNCBKCAR116.8°109.4°
CBKCBNHBN104.2°109.5°
CBNCBKHBK104.7°109.5°
CAHCBKCAR113.2°109.5°
CAHCBKHBK105.4°109.4°
CBKCAHHAH1109.5°109.5°
CBKCAHHAH2109.5°109.4°
CBKCAHHAH3109.4°109.4°
CBKCARCBB131.9°120.0°
CARCBKHBK106.4°109.5°
CBKCARHAR1114.1°119.9°
CARCBBCAE120.0°120.1°
CARCBBCBO124.3°120.0°
CBBCARHAR1114.0°120.1°
CAECBBCBO115.7°120.0°
CBBCAEHAE1109.5°109.5°
CBBCAEHAE2109.5°109.5°
CBBCAEHAE3109.5°109.4°
CBBCBOOAY107.1°109.6°
CBBCBOHBO106.6°109.6°
CBOOAYCAZ122.2°117.0°
OAYCBOHBO106.4°109.6°
OAYCAZOAJ118.3°120.0°
OAYCAZNAI122.0°120.1°
OAJCAZNAI119.6°119.9°
CAZNAIHAI1120.0°119.9°
CAZNAIHAI2120.0°120.0°
HAB1CABHAB2109.4°109.5°
HAB1CABHAB3109.5°109.5°
HAB2CABHAB3109.4°109.5°
HAD1CADHAD2109.4°109.5°
HAD1CADHAD3109.5°109.5°
HAD2CADHAD3109.4°109.5°
HAF1CAFHAF2109.5°109.5°
HAF1CAFHAF3109.5°109.5°
HAF2CAFHAF3109.5°109.4°
HAA1CAAHAA2109.5°109.5°
HAA1CAAHAA3109.5°109.5°
HAA2CAAHAA3109.5°109.4°
HAS1CASHAS2109.5°109.4°
HAG1CAGHAG2109.5°109.4°
HAG1CAGHAG3109.4°109.5°
HAG2CAGHAG3109.5°109.5°
HAT1CATHAT2109.4°109.5°
HAC1CACHAC2109.4°109.5°
HAC1CACHAC3109.4°109.4°
HAC2CACHAC3109.4°109.5°
HAH1CAHHAH2109.5°109.5°
HAH1CAHHAH3109.5°109.5°
HAH2CAHHAH3109.5°109.5°
HAE1CAEHAE2109.4°109.5°
HAE1CAEHAE3109.5°109.5°
HAE2CAEHAE3109.5°109.5°
HAI1NAIHAI2120.0°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CABOAWCBLCAQ155.1°90.0°
CABOAWCBLCBO75.8°149.5°
OAWCABHAB1HAB2120.0°120.0°
OAWCABHAB1HAB3120.0°120.0°
OAWCABHAB2HAB3120.0°120.0°
CABOAWCBLHBL41.3°29.7°
OAWCBLCAQCBO128.7°120.2°
OAWCBLCAQHBL113.2°119.8°
OAWCBLCBOHBL118.0°119.8°
OAWCBLCAQCAO55.0°23.1°
OAWCBLCBOCBB120.6°13.9°
OAWCBLCBOOAY5.9°133.8°
CBLOAWCABHAB1180.0°60.0°
CBLOAWCABHAB260.0°60.0°
CBLOAWCABHAB360.0°180.0°
OAWCBLCAQHAQ125.0°157.0°
OAWCBLCBOHBO121.4°105.9°
CAQCBLCBOHBL119.4°120.0°
CBLCAQCAOHAQ180.0°179.9°
CBLCAQCAOCAP169.1°179.0°
CAQCBLCBOCBB2.0°134.1°
CAQCBLCBOOAY128.4°106.0°
CBLCAQCAOHAO10.9°0.6°
CAQCBLCBOHBO116.1°14.2°
CBOCBLCAQCAO176.3°97.1°
CBLCBOCBBCAR71.6°152.1°
CBLCBOCBBCAE105.3°27.6°
CBLCBOCBBOAY129.5°119.8°
CBLCBOCBBHBO116.9°119.9°
CBLCBOOAYHBO114.4°120.2°
CBLCBOOAYCAZ115.0°150.1°
CBOCBLCAQHAQ3.7°82.8°
CAQCAOCAPHAO180.0°179.6°
CAQCAOCAPCBA128.1°175.8°
CAOCAQCBLHBL58.2°142.8°
CAQCAOCAPHAP151.9°4.3°
CAOCAPCBAHAP1180.0°180.0°
CAOCAPCBACAD103.6°177.2°
CAOCAPCBACBC64.1°4.3°
CAPCAOCAQHAQ10.9°1.1°
CAPCBACADCBC168.0°178.5°
CAPCBACBCOAK136.3°8.0°
CAPCBACBCNAU78.6°172.0°
CBACAPCAOHAO51.9°4.6°
CAPCBACADHAD1180.0°0.0°
CAPCBACADHAD260.0°120.0°
CAPCBACADHAD360.0°120.0°
CADCBACBCOAK31.4°170.4°
CADCBACBCNAU113.7°9.5°
CADCBACAPHAP176.4°2.7°
CBACADHAD1HAD2120.0°119.9°
CBACADHAD1HAD3120.0°120.0°
CBACADHAD2HAD3120.0°120.0°
CBACBCOAKNAU147.7°180.0°
CBACBCNAUCBF52.6°167.4°
CBCCBACAPHAP1115.9°175.7°
CBCCBACADHAD112.0°178.5°
CBCCBACADHAD2108.1°61.5°
CBCCBACADHAD3132.0°58.5°
CBACBCNAUHAU127.4°12.6°
OAKCBCNAUCBF160.0°12.6°
OAKCBCNAUHAU20.0°167.4°
CBCNAUCBFHAU180.0°180.0°
CBCNAUCBFCBI80.6°4.5°
CBCNAUCBFCBD102.0°175.5°
NAUCBFCBICBD177.4°180.0°
NAUCBFCBIOAM2.4°1.7°
NAUCBFCBICBE179.4°178.2°
NAUCBFCBDCAF2.4°0.8°
NAUCBFCBDCBH178.3°179.2°
CBFCBIOAMCBE178.2°180.0°
CBICBFCBDCAF179.7°179.2°
CBICBFCBDCBH1.0°0.8°
CBFCBICBECBG2.1°1.4°
CBFCBICBECAS177.7°178.6°
CBICBFNAUHAU99.4°175.4°
CBDCBFCBIOAM179.9°178.3°
CBDCBFCBICBE1.9°1.7°
CBFCBDCAFCBH179.2°180.0°
CBFCBDCBHOAL179.3°179.5°
CBFCBDCBHCBG0.3°0.5°
CBDCBFNAUHAU78.0°4.6°
CBFCBDCAFHAF1180.0°90.0°
CBFCBDCAFHAF260.0°150.0°
CBFCBDCAFHAF360.0°30.1°
OAMCBICBECBG179.8°178.6°
OAMCBICBECAS0.5°1.4°
CBICBECBGCBH1.4°0.2°
CBICBECBGOAV179.1°179.9°
CBICBECBGCAS179.7°180.0°
CBICBECASCBJ90.8°9.5°
CBICBECASHAS1148.8°129.5°
CBICBECASHAS229.5°110.6°
CAFCBDCBHOAL0.1°0.5°
CAFCBDCBHCBG179.6°179.5°
CBDCAFHAF1HAF2120.0°120.0°
CBDCAFHAF1HAF3120.0°120.0°
CBDCAFHAF2HAF3120.0°120.0°
CBDCBHOALCBG179.7°180.0°
CBDCBHCBGOAV179.9°179.2°
CBDCBHCBGCBE0.6°0.8°
CBHCBDCAFHAF10.8°90.0°
CBHCBDCAFHAF2119.2°30.0°
CBHCBDCAFHAF3120.8°149.9°
OALCBHCBGOAV0.4°0.8°
OALCBHCBGCBE179.1°179.2°
CBHCBGOAVCBE179.5°180.0°
CBHCBGOAVCAA93.7°66.3°
CBHCBGCBECAS178.3°179.8°
OAVCBGCBECAS1.2°0.2°
CBGOAVCAAHAA1180.0°65.2°
CBGOAVCAAHAA260.0°174.8°
CBGOAVCAAHAA360.0°54.8°
CBECBGOAVCAA86.8°113.7°
CBGCBECASCBJ88.9°170.5°
CBGCBECASHAS131.5°50.4°
CBGCBECASHAS2150.7°69.5°
OAVCAAHAA1HAA2120.0°120.1°
OAVCAAHAA1HAA3120.0°120.0°
OAVCAAHAA2HAA3120.0°120.0°
CBECASCBJHAS1120.4°120.0°
CBECASCBJHAS2120.4°120.1°
CBECASCBJCAG60.1°61.0°
CBECASCBJCAT66.1°179.0°
CBECASHAS1HAS2118.9°119.9°
CBECASCBJHBJ177.3°59.0°
CASCBJCAGCAT126.1°119.9°
CASCBJCAGHBJ116.8°120.0°
CASCBJCATHBJ116.5°120.0°
CASCBJCATCBM167.2°137.4°
CBJCASHAS1HAS2118.9°120.0°
CASCBJCAGHAG1180.0°71.6°
CASCBJCAGHAG260.0°168.5°
CASCBJCAGHAG360.0°48.4°
CASCBJCATHAT146.2°102.7°
CASCBJCATHAT271.8°17.5°
CAGCBJCATHBJ117.3°120.1°
CAGCBJCATCBM41.0°102.6°
CAGCBJCASHAS1179.5°59.0°
CAGCBJCASHAS260.2°178.9°
CBJCAGHAG1HAG2120.0°120.0°
CBJCAGHAG1HAG3120.0°120.1°
CBJCAGHAG2HAG3120.0°120.0°
CAGCBJCATHAT180.0°17.3°
CAGCBJCATHAT2162.1°137.4°
CBJCATCBMHAT1121.0°119.9°
CBJCATCBMHAT2121.0°120.0°
CBJCATCBMOAX59.3°123.8°
CBJCATCBMCBN179.4°116.2°
CATCBJCASHAS154.3°60.9°
CATCBJCASHAS2173.5°59.0°
CATCBJCAGHAG153.9°48.3°
CATCBJCAGHAG2173.9°71.7°
CATCBJCAGHAG366.1°168.3°
CBJCATHAT1HAT2116.8°120.2°
CBJCATCBMHBM61.0°3.8°
CATCBMOAXCBN123.0°120.1°
CATCBMOAXHBM119.5°120.0°
CATCBMCBNHBM119.5°120.0°
CATCBMOAXCAC173.8°90.0°
CATCBMCBNOAN36.5°46.8°
CATCBMCBNCBK96.8°166.8°
CBMCATCBJHBJ76.3°17.4°
CBMCATHAT1HAT2116.9°120.0°
CATCBMCBNHBN149.2°73.3°
OAXCBMCBNHBM118.2°119.9°
OAXCBMCBNOAN85.8°166.8°
OAXCBMCBNCBK140.9°73.2°
OAXCBMCATHAT1179.7°116.3°
OAXCBMCATHAT261.7°3.8°
OAXCBMCBNHBN26.8°46.8°
CBMOAXCACHAC1180.0°60.0°
CBMOAXCACHAC260.0°60.0°
CBMOAXCACHAC360.0°180.0°
CBNCBMOAXCAC50.9°149.8°
CBMCBNOANCBK133.6°119.9°
CBMCBNOANHBN112.4°120.1°
CBMCBNCBKHBN114.3°120.0°
CBMCBNCBKCAH137.8°144.5°
CBMCBNCBKCAR7.7°95.5°
CBNCBMCATHAT159.6°3.8°
CBNCBMCATHAT258.4°123.8°
CBMCBNOANHAN180.0°180.0°
CBMCBNCBKHBK109.7°24.5°
CACOAXCBMHBM66.6°29.9°
OAXCACHAC1HAC2120.0°120.0°
OAXCACHAC1HAC3120.0°120.0°
OAXCACHAC2HAC3120.0°120.0°
OANCBNCBKHBN114.6°120.0°
OANCBNCBKCAH6.7°95.5°
OANCBNCBKCAR123.4°24.5°
OANCBNCBMHBM156.0°73.2°
OANCBNCBKHBK119.2°144.5°
CBNCBKCAHCAR132.1°120.0°
CBNCBKCAHHBK112.1°120.0°
CBNCBKCARHBK116.5°120.0°
CBNCBKCARCBB144.7°124.1°
CBKCBNCBMHBM22.7°46.7°
CBKCBNOANHAN46.4°60.1°
CBNCBKCAHHAH1180.0°59.9°
CBNCBKCAHHAH260.0°180.0°
CBNCBKCAHHAH360.0°60.0°
CBNCBKCARHAR135.2°55.7°
CAHCBKCARHBK115.2°120.0°
CAHCBKCARCBB16.4°115.9°
CAHCBKCBNHBN107.9°24.5°
CBKCAHHAH1HAH2120.0°120.0°
CBKCAHHAH1HAH3120.0°120.0°
CBKCAHHAH2HAH3120.0°119.9°
CAHCBKCARHAR1163.5°64.3°
CBKCARCBBHAR1180.0°179.8°
CBKCARCBBCAE58.0°0.1°
CBKCARCBBCBO125.2°179.7°
CARCBKCBNHBN122.0°144.5°
CARCBKCAHHAH147.9°179.9°
CARCBKCAHHAH272.1°60.0°
CARCBKCAHHAH3167.9°60.0°
CARCBBCAECBO177.1°179.8°
CARCBBCBOOAY57.9°88.0°
CBBCARCBKHBK98.8°4.1°
CARCBBCAEHAE1180.0°84.6°
CARCBBCAEHAE260.0°155.4°
CARCBBCAEHAE360.0°35.4°
CARCBBCBOHBO171.4°32.3°
CAECBBCBOOAY125.2°92.2°
CAECBBCARHAR1122.0°179.9°
CBBCAEHAE1HAE2120.0°120.1°
CBBCAEHAE1HAE3120.0°119.9°
CBBCAEHAE2HAE3120.0°119.9°
CAECBBCBOHBO11.6°147.5°
CBBCBOOAYHBO113.7°120.3°
CBBCBOOAYCAZ113.0°90.5°
CBBCBOCBLHBL121.4°105.9°
CBOCBBCARHAR154.9°0.1°
CBOCBBCAEHAE12.9°95.2°
CBOCBBCAEHAE2117.1°24.9°
CBOCBBCAEHAE3122.9°144.8°
CBOOAYCAZOAJ148.2°0.0°
CBOOAYCAZNAI34.4°180.0°
OAYCBOCBLHBL112.2°14.0°
OAYCAZOAJNAI177.4°180.0°
CAZOAYCBOHBO0.7°29.8°
OAYCAZNAIHAI1177.4°0.0°
OAYCAZNAIHAI22.7°180.0°
OAJCAZNAIHAI10.0°180.0°
OAJCAZNAIHAI2180.0°0.0°
CAZNAIHAI1HAI2180.0°180.0°
HAB1CABHAB2HAB3120.0°120.0°
HBLCBLCAQHAQ121.8°37.3°
HBLCBLCBOHBO3.3°134.3°
HAQCAQCAOHAO169.1°179.3°
HAOCAOCAPHAP1128.1°175.4°
HAD1CADHAD2HAD3120.0°120.0°
HAF1CAFHAF2HAF3120.0°120.0°
HAA1CAAHAA2HAA3120.0°120.0°
HAS1CASCBJHBJ62.4°179.0°
HAS2CASCBJHBJ56.9°61.0°
HBJCBJCAGHAG163.3°168.4°
HBJCBJCAGHAG256.7°48.4°
HBJCBJCAGHAG3176.8°71.6°
HBJCBJCATHAT1162.7°137.4°
HBJCBJCATHAT244.7°102.5°
HAG1CAGHAG2HAG3120.0°119.9°
HAT1CATCBMHBM60.0°123.7°
HAT2CATCBMHBM178.0°116.2°
HBMCBMCBNHBN91.3°166.7°
HBNCBNOANHAN67.6°59.9°
HBNCBNCBKHBK4.6°95.5°
HAC1CACHAC2HAC3119.9°120.0°
HBKCBKCAHHAH167.9°60.0°
HBKCBKCAHHAH2172.1°60.0°
HBKCBKCAHHAH352.1°180.0°
HBKCBKCARHAR181.2°175.7°
HAH1CAHHAH2HAH3120.0°120.0°
HAE1CAEHAE2HAE3120.0°120.0°

219869

PDB entries from 2024-05-15

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