From 09bb933615b3535d29997a312f857fea95e3c183 Mon Sep 17 00:00:00 2001 From: pschmidtke Date: Fri, 15 Dec 2023 10:05:33 +0100 Subject: [PATCH 1/3] issue-119 correcting molfile_plugin issue with mmcifs --- .../MACOSXX86_64/molfile/libmolfile_plugin.a | Bin 1087792 -> 1041400 bytes plugins/MACOSXX86_64/molfile/pdbxplugin.so | Bin 31704 -> 31704 bytes src/read_mmcif.c | 9 ++++----- 3 files changed, 4 insertions(+), 5 deletions(-) diff --git a/plugins/MACOSXX86_64/molfile/libmolfile_plugin.a b/plugins/MACOSXX86_64/molfile/libmolfile_plugin.a index 7e5d2c78660a61716d9dfe0118ea2fcd16177fed..dad0d64665f608987c4f51d7a2ea271f5d52c99f 100644 GIT binary patch delta 15607 zcmaKz349b)w#KWnR%dI%mIVR<0tBHUjR6u!GU<>&M}vwR4zdRsa8#lu4!CtNX{C*= zEK1>qFe77BoWUm$RKP@#FmA+U+)#m0kv6ippaH>t->Lg`67uHv>PPtB^WAfoy7$~$ zODdcHr>L#@4=YlPaap6sj?T&*W8Qo`GAZK1tP7nh^ZI(0chj`7nx<{O4gZmS$g9Ad zvzq237n9F`Ywf!BG5H$#6PP|$*M{nf@uUY_eygs{BTLBjy5`Z6AJ?@O2*T}TbeN`9 zzo}~j$?u_yJqvc@=el+W=_0p+S#WxSe3$GKu4(m=VOlF}VL0tYU}66-?Xqx>N{pj$ zFSvbXn6{4GM!pZ`RG}g=B0|{%z?RxDEti~1-Uv265~kftK1J>T-RRwi zuDwehAycC@?c|PdZ47xC`8-&^HA34d0y20dU{SXzg|KSu!zR(>~b~t+l}xUO@XV zV8tiV+HBAxiOCe+0NWA`Z4)9S}OJy zVIH}Nyswwi{oSzs#i5GAKSGYQXOc$}Re_ty{XLYugM5KpOWsZXiM)y|BD2Y~9$5d< zfjA1kbXWGLWHY&we41QK`p7DB9(gf2g0z#Tc>+&zgg*5!QN}ateBI3k0{$>g8O+gU+1?JeZ%7#S_yraeclA`^Nes3+L8UtkNr zBqu}Pyv$?M=35Dyb^+-HulbuzYarK=%aX868*SR3$kWipew_AT@7;PVUm`qE-36GD_^2pzzi#;25Hi}hc>I#&Auf^bk@#cRNdrdX|ztRSBT3vF@Q1LO{J=mebE z$T;m2*uwBM#mmX-NI$ui{3;FWUkbSUDLzhy_gD5bas~M&`8}DCuKcpdHDn9@m*$b8R0m2n&S4EYIphU_~?`4x~0$yMYovU`T|%O>ZNn@D}I${$L4%9*&Ie33jr zMh;O0oa7ABM}A303{`%G4!hl|LE$hXM87pVNj@I8?!Dq@VnOEF7uwSCEIu%u!0OAipNFvXp)& z`2{)5sq|Nb9t7X$(MlM2p`txo@kesY7-e5SR`DoVF;3a9k==5XeLtC&t89}zOS;D^ zeGTZ5=x?U*3pssR|~MO=O>ZrB{*PlH&@L{v^4F{H6fwUpf%=2jwuH zTug2w^+J`ONtTk=lk3P2$W)i|zm9y2{DzDxQu&S|k4juZ;U2Pq{GBYFsQm6D-yl

bD*U*#_$$CGEvmA;F-k?c#pKTqY? zkyn!g$YXO=zUOaD+(hP*C*~-Jdh%AXfQ%svZL}mo&+#1dVD2GeQH>W9k z0{QIK%I-tXyGq#~UP+ytc7?KUxm>Yks^ZGa6sM3jp$9?Wzf@(kU81;&yqMI;ty5IK zi#%PX>=((oWFqD-GI8H^eKl>6bJXap^p3+hF3UMC zXYAMuvtEi>;_=!#%vI;6_2@7ge(a`uhTvU@@;3E`h@^%Uyo z5mP(0i?YcLhXWDa5u7j5NTSV6V=V@re8);kAuB~2qE~#Pp@yH);>MSKUJUTO~ zqEl_o-L~Y0VT+@ZJDu6#NYbOPn2++%PvWx}|rA zru;Ia1Dzv7%3d=edO(l!{8AboyCiyYrznuJ+ZINr4DWE;updq2u8uxAx?Nj2AgRH< zH+pHO$}F$LpGGgtg_rfJFWba0B}I%LJ2uz6p@%V}`yA{fawJD6?kh9T9FHvMeJ$=Z z%lJb~ z3-%;AR_LqmUfSDSaWXP1@g!Zpv#C78d=ai`hj4cwM|HSjTal(of2(mps92qNM-MZ- zw~^j!4rDpncrHt@XGA=bsP{3~uhY}huE8E7N1>b#jtXpkR)upkt^4Yk!3(>u#V#gC z7Tei8W%YA+6r`@0qiJ$dQZ5-kYhjNEbLN{DB^gT+K0~h;xa~JJy8V&6vd#D2wDnHd z+e!Opw(0bRrI_)_MsnEG+2*pI(F4{z5!UySb9#b#{Lj$|W_7Z0-N>`GBgGiiw+=UmWxj9e)?Dg~axGtXGu&Lhb>`d@ zBgqr2yw&aB*|I+v+@*CB=QEbG+uK-KURqaR8O{S`a5)hSmiY%SLdQ$%dYAc>f4g%T zlrrBDW!JRnH3xzYp{o+>~mJ*6YoKsYX)KdU$V_5qA5$n>(eKBkgR2*ceJw zhZ0MWC~+Rcn7jRBzHyp4eT;0~Zr<3(=o@xcGwb>onff>87O2s?QL*d(HRj1a#t?mt znbg-P^*jKrq!uSvgG5nt#PjI3wpmA0(q?OpNKmxak&?n#s!VCMwU0;=gOqkH?rxwll_H2Zd~G`Fd8PRLwpnSTnIOT?_YNjeY{>XVFTpl>i36cwYddb&c? zD5{Aeb*-o;(GBs93#s+{Qz3swIW{D37w0`@VLuG^J7!fsW3c{=`FKBLn7-P4qn|OT z=S_GbTVOx1Z-M>eru<+~)9kg2%(MNBEWN~Z^f!j;7noP|H~J6XHMer{jk6cc*WAt@ zobS7BP4-6`OLKp)KipJY+hq5)p~2;^d*8R$9@osj_BTd(K7jI*eX;k0gTdeedu8PE z5z^3Ne~Yr?m3>~rFLWtV)uo8C&nt2tipV(h00Xa|Rf7@@!(+|0#AaXd@ue}%iZ_Dz1lq{>W7G;U=@AKhR;{Cd6sq21go4{he3A;lD_Bkt9 zv3pd&MW5oU(p+`-io5FyUr9H2oxcLz_UW$bUE-is+EJ_-&(u~itj10o=Y*0LyEhN3 zq|A5Jy=>1CRDP{%hHIv4mTUIR-DtjYgV}SCQR~T@?{4}w%&MW(Hz~c?_m$h9_k|2@ zNGmMz=WT@DE_8D@eH9kkicrXKHGLi4vHMO+4(vhTwr_3aZtWT{nvZOXx6^9ep z7;>sTVE5j4E*K1T+wNTo3m#khhg<>+mGWgsK+FWLJZHLU^j@Yj!8p@*)?qxRUt^jhjca?cp(*~qVA?#%1FHtP z?!VNG9A#vBDtk$(Z&}J6+~=-o3%|uy>h~CBzF%5nCE@mOZTIjVs2t()&A!t=F<8^K z_?EG*=E)TjnG5VUMYg1AT5;Xh?KmfQ-IMh|>m@<&e6WjJ;4a_o_RGEyk6#!qbNMc< zkn(=Bag;GA!ezgEvUy~bQK)}z4$U%h&GIbc3Qr5X-F1)TNaeoTf46{K{#f?uxbnDz zyGxff*NWRR??Plt5_^O9)i&%jzhjGW9tdby7MQKOGUSc`i77}}L+IM;wU)f|03xM! zI>z2z=Pg7nWp(MLbv-l8Zdpc8EU}H|M5i%uczqu^<&PV!9p1Wd+lzOLU%g&Ad4WAA z%X{dAY|~Yd51K2S#u(2#SSw||U(dT)uzPREwaC?6o3T(<5{?q*FQs*P8CH+D(Utl0 zzvw49$E5nM_Z#-w8&MQ$neTU13U^Z<75la}qU%zX%pI15y2mN=zwjNpg;r4Oa@1Pp z-)P;`_|pc8<@>f%HTK$1F@spz*@$3~ z-s6k|uVB`YIS!puv$PZ5!9asdW@F$9D|c(lTM`lYYbX-$=W6It<*n zn0MjKqtN3qIeld`k|HI2fjKwZ=pBuG7=6sUVGLGAJl+TV*HIDAU?214Y@=^10{RP? zC4{hfDBBq1xorST$yC*C+=t-^yo`%r$L+BaF-EOn!M8fDgAwSZTnEo0m?U1%iSt6P z>U|7nGHMU3mk{^oFYC{i0-oPw7@w5YJ9B}3e9uP290qW!1PIzy4YtMwcdOP)YnmhE z%6kP{yckq1o*(2@?*{szDc3K1^-9^1{r${)#u*oR><Q+%kZ)K{F5)oC%vd_-EEl~vu_ zW@1yof;f|6emTZSxoS7UN}b7x^T+O^KtATc<$J6OWVqG5bGI&SIub5VW6i-}vv)1R z0u5scSc?-6IM)6iuY!SY5)bn6hD6|VptI5EmEtu!x2H;ZZa0Thb)tvFDhN z<{ACXcXNypR}YpZitO9s1~eUxs%a|3wWu<#rY)>;6rS@cb6dx|?Yq419mHL!eOpAj z-UKgE-fvg-H64obHMMp>&(FLe*BGe}Fz?DY1{bHh^u4a8BdQ#BD66Jo{Ui#ye0y7a zS|vle@{Pj==ljx{%9^&Iy|&!6k2g}|PIM^w=9uxupY>(thVh2ee6_$xh?gsSQEuG& zs)2amG?$GxdaRjX#CR$Pm(*n(l$*~DTvE9GvW9Y6vv)blU{PqT-kP0Ont4^(F8?Im zUAJ`~9Ncx6WYz7I`EZwi?2B0G@)u|5rM{n`XTl6N`>f2?==S<~F~HTsZ+6czdU(7) zA&#*YuS>;7Fa>Gc9%i`l=qDX1@%>ub^liBH)L9|6^O)~RX%4q0n=Ncz0<>1RUX#8C zo|e^J6AY`foT{csSJ`xFT^SZ$`NP(Fao6pX>fGhOdffVtR>w@fWz|7q7CR97Noubi`c`#2s&AD#uFr6`Jw+MrNPTt<8BcmLstkXI_?X47X+E z;%+?3RkO#e%{K-t+9Q?~rHrbaV*QX6ZF|m-wj7r(zHzvk7yFKP1lJhsV=iB_WT~60 zWk-T`EN0u0&=Y_al?i4-fsxv4PGM>J!71gHpGV*#D?xOTKl`MaUtnaIcZ@d%r_RAm zZb@C<=Ox}?mFap7b!(;NUrZ^#;d66+fziiYFdo6X9pw`J z7aINbBJl|0+)JW^Wy)>JfiNFtUw@VM1 z8;gwb`laTfA|ol~F-$gAeO6EQOCAeQIB<{IZK6?X4^?8XJ%@(#%-Iu-HvN=&O|daf zpJ%QpHmdYeGpfYcs=w8+qr^C<<2mMu$wr#~iTTQ8W4)ehUh76{W=1TLmi?A8r+;IFNBP^`pc$slej7NTHEXQ}`_v8ukNAeW;D|wpy zjXXyN$uRu#S&m53AY;h{MUU2vLU*zknM|gVX=FM%h#X92lEcZ7q?61h$C2YLdNeJc zLLoVkoJ5wAW#pyg<>Zy*G;%sQlbl1AlMBd2LbR{lKw&X?3t2@jA@3mXBCE+7@?O$M zK0rQ1t|A{H*Mic%_Be%gi_Odu1sGZ zn3>oT+20m}*Yk2rFkh7BN@$iVv!3QU)zwM(g@YWq%Jk6u{1IpPIGY<60Xfpm#OjFt zw!#KwK5zbOg+A2wYLhbS&1dJ~jcm2~9$;Jbg;I-5y&UG#hn2a?9B?LTQ2YpNo>Bi% z(h-p|3=t025jBFQTh31;;hI%kzd1Mu$ed?4h5!bzV+^Rks!ug3E0xG z<;ziS&K+ax8-acO8uPH^ziV#LjX{wSxVt%MIbbIEZ0(?7-Oy9|jRf zj>j-Ic!G9Z3!N(cS};+frH z2W5m$A;?p)LpfF=fhFZ|f>y zpfnf;;@lkPhO7J?;1Jk;Z~#~VdL(fLg|Xz17@q{_CWsq($3jplDhH*ZQrg9|b3mzh zASkh6qkayrE=3Q3_~&?+_O0Z^VHkfYPyj(H9s-IzfVPcx1nut;L6ZM1DE=SPex3G< zAfEIb%c$Q7N(ZiHz8gfGI{Je$LJ64|f0>gXG43)ai$NK}si2&387K`6r#*yr4EZx^ zmj<51fB0U_F`pbso$>cj0DO!o*`F((%?~yj||Zs{3j#v z8YmrjiS|EeuLGq+SAb#2A4W=H(OWT`m_5fwAmY*SFY=!t@;#16kdQg80i}UkRfc00 zCw6gn7@B^)H{(N=2JMDOd$c zhvf5H(dDyTv9F*#f%aJ1{b;Aq)@h%`T9xvLK`H+PC?j+;d9~zwAQU2jcyROw|F?R*e_38M8HNFjj?2Sq=X zqWCo^9oz>>MO#4W$a+xxR)MmtZl*pGlrxPWKf(Sj{?CANf`0|2+@r}De@SdhQVx%S z5{x&4-LWdBff2}egNd+{X}9&Z{(Q^v5jYP1H-d;;$1L(vup9il)BXT2#;^b!kC5}p zS9@aoB`WX3hK_4uuZ1A?21f)K56Yih$TIpnD9dySIg%U%N(aJ0>A3vmgm5z`4L(YG z$c5lo=+}ZdV4h@1flN@A-Am|pEcjPYhU{M2RkY8bH(Ah6fiiNf=%sXYB>qESJJQHF z@;B)<^zX<|$u~&P7AF2it|FI_736I45;C704C1okNC%}u$IyE${rrO<7J{Q0#L9KN z0!qiXg5vkAvOSKcDcnbgduY$2J(Kpuv?tNdrag*w8tr7-QM7g1Ct_3wKMM8#bF(^ZH zJt#fQrJYSX8XSWBp@v#sN#xJb%Kn->j>2ImpB<@UNq&bV%1Tk8UduZPT%81MbWy_rgO2JFWd{8=^Lwhio3%eI6_2F+1E&o%xs^=&u`hHM? z@;O~=*uB`86q$(2X&F}fg(#4K-nNvPsZ~ZlPw0u_9~yKNlF#YoxD!8OhaM`P#Tkhm zda8(`9eS*ofIP_$Jy#rL`Ot&K1++s?788~2(Kh1r4`KCqkLys1BiH+$Bef6~*c?p=#(C1wXEc-(2YQ?I7e~W;h(8I`YEO4kq z<$r(*@wcg3n7QaSqkq_OXT$xs8Ka^?pMYj(HN1YO@l^XKp|G!CVf0T3eOZ^SJ_)T~ zXFOVSo`#S72HHO9bDo9|`U-51mUPj&)!KXm&eM_`UfyV{NbArN@vUJ)>2BM?fgPIl zNodPAwhg_yXe)lR{m}lMA3i9PPdzu-V=CG|F3h(6q_-h!V2m@hqpbD$XLVl8vi6S} zvrS7&pA$2+{WDf-D;|n*b?S@dck;!Urtw|sYxzFrhY?-0Ln*OS+dm!6Hmy%Wr(PU; zwEYW4OT$?GC3a=|r=Ik)t% YR{WBEp}8HCbzk?>@eSQiC-gq{zfv+4!2kdN delta 51830 zcmb@v3s_Xu`aiyh>juHW3xXGPR8&kyK}EqUBcL+{UNXx{LmWUU1%w$>v$h6Pj?U-T6^ua*V?5CXIuhQvO|?Qj1Mqw2A;klRN2e;Ipf_Cin8I3 zP-P-xBI7RzC;nqhzs#sz!pW9rLzVX#k27|QRFu>`p-MXAG{*hF6WhX+a>g$h|H)Xx z7^h0P^Gr_yo%KnWGKBFKiJDT2lP$h5Wi#V)Mq`ws9K9H(oC8hxDdXFWLlK_p3RmVZ zPGVdNob^+MH>^TG|~z11IE5FuyjhKGKR4oqX&3! zexz~(<6_3Y1J&9{I|YJgF+((6zDtiLWz0&-f_gU5xV?XEIJ?9Ko2>3GJU0#xUc2M@fIi*uc1(@fpTP z8QqLd#(9j_Fb-xkGG5?}tmhK?OyiS0&gn-ikioQx@er3x4AV_a|K3>|{2k)~j(>#d zZA|ZFdNbqWjM_#PxQ`iYxrqBPe>w9@8NJLO&v-5K$1>i;{Kbs#u)e_@{yo!ilGcBWjo`OjPn!FjP^z;7eEvCWBPH%kD0%U=~KWB=xuf~e#|&N5m(3G zqLlW88czB%<0fE*FVrfb?M z`HZEEyMZaUw^N>F{DkpLceMY*54ThL_P~Gw7|mD#+_1NuGK(>b@flzRy2JYzUuV2G z8#zmjQ4WJ93{8@FEn_jGmvJlOH%Vy!6v5h4;^T~=y(E1D<66dd7=K`FZ<2DUjE^uL zWIW5*xwn*C#pq)kr}dEmOBkPHJj{5Ju}5DiH=c0;Uq(n{oXzNF{E9JbfRxK(yp{1G#yZA!DQuubO?i|VpD}hACgSGFJ^p< z@jJ$tiJBBJPn0-?@ovWLjF%W~*;4K;#;!S%Uc^|>*g0472Q%g{&SqQ+Y-);CKGG)3 z6P@u|#;%OVCdu%>F%~l#827TGO~q2~ento5Y{n?YZADUUDWf);Pky({fIWm+t(ykUl_xSQ`ge&CXC-=vyvQzLf@v7g zEo6yeZ+{L-?5%HsK@RgU6H zg^s>yLx-iBT8=cDnn_C?HBwLeF+Aawqf1I%Vzx%GEVCmLUn%`Pt5XY$q_!V08cO@O z;Y}N9u#IcO+fij$JfIEF`nbV1w1r1WY=7w;gQ;T+Po#1B3&V6{3(t}t*>(H89}G9h z$s}nW@jed^xjl$y7#*3gy`ophjpJM53f_r1A%zKTcnh2%%YxE?T;g_vE978Y8@baD zhm>Zt@Gyy$xP96CAxkZ7cpc(G>(W~B61JbVgdXbLhIjP(&~<%V@e;SMTON9PU@Kn2 z_6^U37A6LGqx6kchJ@{=-JySJYT+$@Ix2DdXIsNEdbaR{T{tvIu0M=TD~WT=M~zC{s<&AA#SG_8v` zl+qkeFMK~FVSC)Jh%+lsWbbBQWZta&NLzFLkJ9UF z+jZUkW=UkipcZ}LC2qg4F7ouS7G4KuyM*oPTan9x^a;6*ha(qc3OO-hNpfMsMrIDz z2X|Cwcbta)jgG`Hi97Q3T|b78?~;#k5*@@30Uks@=`iT`#~FrooW@}*NdU)!O#P}o zp%XeVTa{epM5cc0kB0Fb4!7Z-)(>@3Cq&nwqoiZ4p?3VzF8Z`n;i(;tvgpYu8P=pP z?yOEoIyga+D?=ro$W|1xw*r@?irPcVIz4ha+!Q|zTsoRKD+_Sh5348V~N$f```zD{~jfdgnW;y$Oe+qcaKoJMdzmdh{TOGd8&RoQSIELyUo)% z+3NmUm?u+n)j7ZN^+YVae^+%_$IY>1n$4S&JlE=W9Y9v}dEo1tyQ(omc7WVL1%;rx zpz}>Z=c{p^RtJGC`uknggsAh#n$?^B?lAqQuIh+h2`Dg+>)_XZ|IX4PMM*ng+~)ld zR7q65v8J6tw{%le48Q5Oc2h^FN0E|c%|prhv)$DGhL`pCx~Vp83z)ez$kTIVhewz= zu_0_r1jsE0q)P@gUKbRC0HrZIhyfF%=u#3L7!*S8CX}qC5MxkCI6|myho3^}pb$j~ zTHU_|3ei||FGOtq{U}|*gNd%*m;8R8AxwX|yPB;o%Ua#w@;fT^pSr8Pv~uf??7~V% zS;2C}mRaw(Ge9mQ63Qq!mRKrSu64v}$!~PPRH_JHjNk7M3WW2?e5|FwQ!pbaumb{f zMJ^wu&<|UO#ss2npunxI1KR}x$rF5!>VNB@jxc9tAf0K+u>wIsFIkX?n2@!%Dz#1^efRy2lGIu%Au>=N)B=3v6xtGqHl_G( zZq1`U);GB|uRZaGx8}tXuUBgx^^jC;nrjQC7ScMDI$+;VzqPW!NW9Nm^DvRC`1XT` zzG3BVYV3WkMC$CbOu zy%k5)%H7ns6lV;+d#>YfZ`zi-=k@v?I>#BWAQCv4$W?SZ1Zm|^1*^6R#Y|z6@YK@k&NU=Wp8aasd*KceM`_WhUZN@Bg zRSmKN-8so7i#OL`eRQWPq>i->&YI{AdmcfG)!x(`C(dSn3mWr`meVbl#++o;QvY43 z&HhI~E<8EW_sAvPaJL~|&+Ma4HoUTZRUh@J!4!w?Hs3p?$mX4rV)I^~*x=f+&F}Ap zRMO5PpO0=|m8>2#^j?T_nmiNwte#Lf%nniZ#)tM+zkA8IQFr!NOARLd>;CFs!|!^` z0M#CC^*p=*%Bd%EXn+ z6Z<&(thrhbGpi|@&Hbq(kz#)zi0!^;^&hZSH-%P4S-s0uT*DjN(TUZ&wOPn@#4#k# zebM4BSmDj~S2vYcrZ-Hipn51VmWBVCq$oL_tyE}M&-zV(#(cl42-t=@*4o*=*XpHC zMe)R}a$j9R(YNY5%xd3I<6RT=ugz+f;orJxh?*JV->c6WqF$%fK-jjb;UECH%7E59 z_v@b=q{LRa763?qdl0MpO{43@CiF`8;yRpm#P{1DRQBU&)>e#CR^UVwr)9rOxO&== znj^*<8W*C+%p&EU6q{$JxW=BM@soaImf9{f&;7hUaj4p7(5Kxg&!5(bYl#?x7<2Yg zgiQv=s_Q7Cl^C7jyY&Z#s_ELxqG9~nYNTUyEr;t{8e9vgG2zHfJ8$#cDJ{$M zJ}XCM<6_~0X-7zTp8NaO3TmzsYQN8OUy|;Kq20f8+*|9A1JXp5hbDVM!Azopao$N7 zm7Df$o_E~Np2(`~VlnWWL6rOJAT`FCjVKH`4%Anrsy#wddg@Q5s@+4n_0(S{Y}Zr& z40z2SsP^W>;XAH_M^N+0a-4PQvcQiJh=HQ(V58rEwY%m!szIB7A6=-n>2HizyJ)Uh zl!|XB)rEK5N?0bezXqn?_gEOpqRvN;`6+MjqFTAzM`nB?cYe$3B#K-mB5@wv;(F|& z;sjz0;E1j1D(X*;1w{Q>j5+%@8H_czbU?yXgI=z|*i!wEG<9%-3H+72Pe92KqpK5H zM+J7C3a5*TbBroi^`Ih(*CbWdqiw-_ioD+<1B)&TL_2P@$iV9_3lv2v1Fe?@wkgs- zBB{=8{s#TRFtxAtMsGF)-j(Nh{s79`_aQFUbfFX1TV^_j(5--ANnew94S}jP)-=F} z{Chc)6ApQ2ip{>2d^gX2F3)h@T7NvGMYoHh-uE^xO(cPPzHZ>&i}Ll-_oolhK`uT?{F9)v4xGGVCE0CREP z0c}dy>N|Roykd0cI<&E|eOr~qRw^EwSv0&hEw|?P)`eklucv}=AJLaR*{(bKRG0^~Xb- z`<&+wHt?MpMaYwVR-St|T{rUF&+eeK>)bAq%60kU9ldStFVc=!J+CH_ccUl7?W}%g zq-xc~guz7PwwSc~V-eN$S-6Hdx>YxYkf$Jao<}HijKhtrV{)U_YTV;G^tIoQ7-6Y~ zdc+|P-SkP$f%>Bn?)uh|8#`VWE2jQfjA#AoZGQcUQEG23%~F3n!cx6oq#lFR9T}9K zt??QW6YZBTct};X81|F6NEac*$}yZqx)%5T#%_NaAqKg2e>8B89x7n))` zJ+{)QVAXLy#@IP@lly&(SQkA%L%q%LlfE-UP1D~UtG16N;fa|s8=U>~+{g9fV{r$# z4o;QpN&Y(5^{sQg)w7lQ2@Ezwbx2oeU3HCv^IEYR<6F~QfUL>t>4M&?wYS#XgPNqz_~PNr)w>1BhOh9~K#ejgE$ZG%49k$Mb$pQpU zNx`}QO$@Rq2$!5dmV{gTMo~-gtQWpVouY$y&ZhhOvio`YSMH-yt>!LKaU z{t#B|%x8C8PpMfw*Q8qQwREL`JCfsA?dPqAv%+h04K@rSJlCWIBm|#kaD=4qMrda9 zeEH)1S<+z9GWT&`{Tj?rg!?Ar0weOAYj}=QgPR$js`G`Tr>4sTLVdnp#d$uRU;LSi zsAO$-+z<@FZv=kN<7dI|4g3z{cM`vI_|3tu-3h;c3GnXk6aD^p5ch+448N!Gd+WI0 zf9km2bG*9Lut(R&tGx`v^zGx(3GLVWPEeB#+jZ*%wa1ukxC;_y(v+kaI-aCK5PB~R zrZ!#{2(2`(q`>?1rzWTqQ@10-sO?Q(`TY$mDWi1wrlTfkEF-SpsM<#nEZd*nB}+9K zKGR2KslyC4`mI^&=(L>9Yy=8-10*?uZynW=cU-?V!MJaTuf?zO5z4CUKjx2ho_+v~1YS4Kx29woE)x$e6`9iV;Bq>r(Y z@kho}jAt2tVQgajjqwtrk|EWHForX#jM0p-5;cXEN6^uUF`hAzu{&c=#@>v{i~|_2 zVl*?RG7e`P$(YGFR-mRR6PPiPF^6$7*ia#f%FWZzDwd z$|7b|Fjg@xVO++zf>C3KNN{EG1?<2Q`Q8GVdDFrH#O z%lHdpQ^qvPzoPucj7yA$Ovw*pjAV>vjAe{t?8Mk5bNjAYYX5M9T~GTXBtbvDrJZUx zr5kQh6V(){aLNYLZn4_6Hj>g#YGRfkDjI*v>7ZjZ<6K3V;7^g3$P@PGe-g{3-g5jwC();1P3_t6K08zgWld@x^>?k~9p~Ei8$C!Ll ze~C0@;K>jjnR@-A&_tD~FZ45)LPkZ++KLMY4wHW9uCQLw({TNu!`@C`^MIj$RCT?i zPwC6%VorRmz7Y`h*Dob^gno#~za5k0gZh~!wQnp9Le>9B)^YvNu&4p(@^36uhZ;8N zZa`GW?_?lydLg0*O_mSPk5PD*-eI0PAY|}y{bEH_e?yF32-46?cN5&CzeI5G;X<`< zco@b^$8>`o-Chbt`&TK7`4?mi1#EtS@g5+0GV^^XjlRHqAT9&({eh@sb59^{5#wW- zR+&C2%QopFU{}cPVSEvYiZ`!eyiTHK9?y&vU?K!MGX9PlB>FhxK}K4ZM*PjdWMD0j z5^^!#&f(Vsarb2&0qh08Fat@x8;~;m2j){dq1l;#!3pK$h+rt@13+ZPyo>o(ASOP{ zv|g?gFa_8dtlms_1ycNuOouZ51_ven*FZAhV<4s)%myHpG|lsNL$_nD#tE96xi4@4 zuse_<`r-dn1-}BxfbW60VK;xySO$bHb1{(QuL4qz>0t*Y`14>qcLjY4NZ~I4`-9ei zy@B(98lB`aBZcwXL5k8I{0D*EfOa4$x&=sza+sdL^l%_4P6Co|gfYJfDKG*C{Tpo&y39pDN@x&c z6CxA+2BQZ^2^TX?15$#$7*C?!$q?;koKQd>Ge!d;V@_f01SCTin`Dt)10;hc0m-1z zKytz~roThEQut9Ig}=}A+f45SQU=O^A@INW9C;GoodY6(s2=lK)C2s{e4KGNkRp13 zl)ybeN?8F`q&2%;}M1z7vIsyKH#!U*31K|ed{XjCPp81=B zWT+EJ22?PA7Sl7B9>erVrh78om1zUhzoTtqe~}V@3@4=UUyN@8iT^4it*a-4?&a_* zAQ>{3!>5E1%@HK z1F!?=V+oRe12__Lj{(VxQ-Sb5b8p6uz&OZ%f}1hoKLUgwo2N5&Wvqxt`ID24jTZ}7 z;*)@A;^v*`;A4R`Kx#%e1F4mm8Nb1Wfat?OGGGUg3}3-m45S37Fw%w|qLY9lfpNeL z;290sq=;VvshKT6HroMj08)vJVfrejUq-g52%iU1$vuroWax4HgMXSoVcf^~3gcfH z*D>D7s4e7^n;EZW%w$YqOkj*){DrcQ1iu8LyEh*Ol0nY`(Spb6K=`#83)n@ES^

}(MU-o&((>1?Lcm>x_twf}C+h-ZPO zD5>BakPO-hq~`S~us^UymCeh+IGxeLXpNNN_HgM-Q-KuknNUR;0el2VdcQ=cqnW|j zg%c8Z7KlSsa3-f=y(CY_J~vmIXYJ0NAyLe|Bf6H zJp{R-BZBF`9mE)fQF!1M;%mqVeaICZSK&u=;3gtl(wY*ujiCLtBoMfBn8}77oI=qR z-^5`st{}Ni94f*R?)s zL7x_$klXN0)W-NWytx;m&IH*k)&eh%jjjk<_epWLnWEFWwL}%md8dtzUe&VLR2RI{ zbE2m=FD)J=d2_wdmLOAvT-}S&^`qP9+i)`a%-}Y>EeY+WH!tU9eI{EwU(nK0+Rwf{ z#o2CM(DGZcJovNPcALyC`UG!deY-7_Tk)_|IV$E*a)6hCMYH$L9TKyB?vU7J2b#G$ zRq(w{=VPC1I^X`su79?KJ448IOdC0ZS9s5j<|X7e{TSX;KV4-=?KqcPQ6ik4j%kDS zU5^{acR7jvoQ?p00a{OiL2v(rVOabR9L5b+2{WM&($9>-EqzRRL~=)J?{wg@C5}W> z?V6?IL#7R`eP`*E4sjg%Bzhk@QuK|rkrR@(aPwXX$EM@JAi2DB?r2;h^gp__8_|JU zE)IH@Oo!F1U%V$|LJR~3gIqZdYhm?&6-M{MZLpzz?C=NuecIEwEwHxqs~&P~>DeIO zp&qohG+tkY<)k71>LJ&bZi$OF>v79M!u8WH#Dr`Are###neU~^HJw<4>Dq?o{Du{l zo*+Z$Nv-=Wt9PloCo917-1(lxJ;Bm28ABSH3XLC$RIT3px;=D5FQQ?!<~3H&opn~M zB%EmV2iEW8##zMTgZMDSfV76GW_P_z$dikOMEQ05!&E%tbz*{k+z%Mv@pDLUq_h$>Xiz?gFyk9r|B z&JL0@WogiIY1%{Cff}A*al0NR``oTg62J{uyRs$8&jRI}&vrU;f^1yCHcoAc&|JI= zP`n4ZcOP0KeYNeGo&EjMaAV%97nH7}mETr;}mSj2B&Th#6|1F`p9EENi+9otN zD51GXsJwMTHt!9oaM+dLa?LsVKx%UzqA_ZM1>?RF1kP;@xf#@1HC{~#T0G8FJXFlE zx<3y@?G5S5fHcmZX+Cct*Hs!jSUtnR?{=9H$uJ_V#Rz9SrJx~+WLTII&|ihPD=^v= zv}knR^x8xi$xrO)c}zS#^CGw9NXD8P(fG#o$DOI*LCN)ja|pL|E;Tnn5*#6gu1E7t z2LsKWmWn@yyQx6S@Z_dg+_@^6QV+$EPo~1kEM(y+2ywd3L@uN(dh!}nNaR$Bz45$9 zKFg)@C=1q2%JkL9fK@}qv?vr$$o^_VME@nfKi~VDXpf>IwhD1?{4J0smkF2vFOzOL zwWSfd)}l!DFTdCTZ|O#ad4mvTPrg{EYE$6O%O&u7pSsx z7UNB#8-co?QEyueLQEE*{)9*;Jr)XNYz_VWyQoSI-z>v_LqyhYbZtg3iei&A@fa>} zQe#7|iF|-flbYi#Pu<#cL@al4xmFTLtMIw-`c!j)SWB(Pmp@6|t_f zxMyxtJQD*2iFJZIpxbyuohYbH-2Ns*b5KcHJX>W+#8*Mr|IE)8XyjtxXk#f_OLj;g zC_94mjtfVkbAt2Ju}ywhS+dB_1+EZL-R6KKXN2}wdpxB!aCbym_$|+~ovxZT z?_JW7tnO;6cFP-dr56`oFT}0(YfvFGw^-fLD6O@5?ljLB&nqbu(OuWB^UJDPm)*p+^^NwAGN8?nT*LY`-RYf(S zl&}nw(h_BY3eH(Q?>6I9?~1XBT#p#}eZ>l;%<6I@YLF|z>Uo?B{c3MmUsR;A+Jz!Q zQNh+2*eW8R;HgAhtI%0DF0i}-&_B4jU4mwG+2G+hVzv2d6hzQ!b2JoN502kR%llu# z3|b(|vbys;8^{Z|)`c@1r_ywzlmj5sKm7iQyt#ghanDSD^_vH)FGg2>YpdR`TB|Qa<{PK}lt1vhohl_4@Q&kw?Ozl3 z*O-NOtZ@<4)H%9iUDZ0A>h)Gbyyn?Tm2dGZfvz7^t7kV=IaXMagY2|W{dh%0EPf+7 z_h&mOThrhhlmp9kmK$UtRPQs%7G8o$%0Rh59p&E99yc8Rz1GYoGmxmU=08HItheTBLrGG#9cU%_PfDNKdgcjZ^;0;PtB&&Ajp!Vk>q=PHy7lkN z^DaPLoocBos94g?xX0?p!g}v?QAIykz0(XUFBDjfxmcNodi2?<_lY{oGfp|0Kk$d0 zDyCaoD($B{_kTn#P-*>IRhrHHrLktUkZrEJ&YG;!vDZ4n#^yK+u&j})wYq82UEQmj zCOZaKH(lo#Ufnd)nbRPuaOSlZr4j2CEslZJP1(*NlAC?wbxLC&c|Lh2B)Z7+>#R2_ zjnVSlf;TX5zv-!Hb`%Y%1w5s&#Zz+K7jDI(Ea5LREZ56wfqTgEABVZ+KutM}D0+*( zflB}G6{uoPgBxp}X9x8b*LcGQ*fQTT-W?&Gz<7T=xVQ#rmfbjk`%u09gemHPUSrMA z;M?5$M9XCl2zXiR_SKN*tw22n_3UWyyXaCX`=!SNYSGz`wz?1J4LohDZa@(jd%Ynif}hIT_KvA=J!2)QJ?-=bV99ZLxlEkoBNN; z#tHIDN`r(N>W*pH;QBW;FV}fv&3>F%+&_z(Uziym%Sm-o%-l*LL`1QPHZ0U zVJZuxjpb6tnynzPP4Cw;zUM_e8lG^vNE_Q%kZyy4+`@*t4Wz3AVZ)WvZ_bG8I7Ts8 zHh0%Z3?bvhSlc)x{6S24J45d1lkJTuvUwt`_P5hMJZFrHS$ocSA z&We*LAQLtj{sme@Ss822NfR>C-cCF3BO>iX&FY;4bHzH+>^Q4C8|5-1QS_(6Znwea zd6>$@>Yfg>A8wMTkhJhk(bf#)429QnTV!;ZktU3TT?$M-j9GYRgwc~AxL%>n8)HM+ zInp(l9sW85V7h`Uhr!Wz7nKyEhU1N0gl)5S$ce1&rgiGb9ksT$_3;owM15e?xy5%M zD4RV$hU%U3^>78oBN#%aVe6uMIr2h#jJ(qX6Wa;NHMjLMIgI})7)wd zE|tmX5R7XPG}inRk!5}QXmW_`fnnaa=Cg?s34YZK7#9|!X+XZnY&UjN@iLr~9GI-Y5@nDJZ#)nf$0)AIw zyyYqIw-m(7%SVWUF;i5#W zp4Y^^PB0@21*dm-C%UVC^idk7*iQcYqu??cJdutZ*Hphl@vxQNgb zkpR*W7jKilFrK2ofr)n?7`mLJoEY5+MPqlfxwF4$Mh8|01WH4oZ~> zQyQ^@a9jy)<%AwvLyd?+A*71zq_%{D(mo6%M&&yN^&3cw1W1ssSezkrU=W~85EChE zYDqDmmwG+ueJfb)uejC)!s(tA;jeJGh8i-uJ`EC}h7EzI0t%{|K5+CQp_fSrIiVg7 zf0Vuwt6QUTyNiHTyq0D-iDeFo&RnOwYr<;>?H-3 z8!XpbW?DqkP0VrUAIx*-9&qP>jO6dX9&Oj={sc1zIUc9Ug5i1f-W1&BUgOF6PO*;3 zjWgauk2r9aXsqr+t42JzAFs~tygxf$*`-pkVu}fQPf&Fp=_ z>~+oTmx9^V&Fm*z*p6kS7xSMF1o6scS}TKC#ger+h;=hq!otQ`4cSMhrcF~Cr_#wV zoJ_(=cG>`?aU7it!^sFb8IF@dBts{Ch%*8wT^ojiMQ3ruO2#z2MjAO4Xa^>_t4~^a`wBG{NguP9TyF zRJl0l;-kMbH>$HHA4e)viXGWGlT0a={E4~O4mRcIUw6$w<(l%c%EBU(wY03NxNNZL z>hc9;rWua%vSOvoKDf+YS>;f&%gdG&mpMwy%c>NqO1|N0pvm46GTJntU)6wUyjTp% z71AwFug#sIU1z!Wx*#pr7gtt6SsPvbs!S#23m2B(US$$Gf|Z+=$S9mfWpR}QZvruu zlrAh*9F>K)7TX==mCKZh%JTV@g^SuKwrFJ1XcLFB4yLYbi!h)iM(flar4A(9x*#}$ z2;u|^D=HS2+6z%^THCC$bc;k8$Em7-eBr_?E9XE{QR$-MGAh8)rhW^Hq7`}_$dzMI z2*kD4@+ByuKe1l~U6z2oyu7lgw5-rkT%|b6N*!&zfU^@MW)flnm(Z&0g$s)dN(!l# zu54*=Tp=xmk;9T`#a_H{VZp-UviXh$Rgx$yo4*joT(J&F+Qib*4lQ8F|CYZj?LUtq zZD^g-D@$u+5sP1zK#ThpIF?nktru!XrWO$siJ(wW>ur*%s&XzWEt@YIb=wHYKgC$O zY@7Bs+ln@Byaz3(MyfqKyU89t@KzE1ebc5}{4_e^kg9h5x1ZPt-2rQsUlsQL!d^ z>%peNdF7Q3l)#m(DJzH3%^j`mSAuh7DVq=PC|^`%Dx}6nOx!-K13% zSC*C+mD)|BZ!9g7C4c!PmP>bDWFFS?ka=z*U_}^| zp!`h(Fsg2D_oDHl%hzy`LFxaOPP-p0{1{u!kFAWP#h}xsdA^dE;@SU)PsBT!PPDi%b&=*CY$e?4J z*j#7mq`$Pw(91ADKLm&xiYaM2D)s5uBp9_3kFM#+(hq%XNTg*Qbh!2U-3YuD&mZZ? z($CDsw!D8dleFJYj~m^tx8W20WLoq9_1`q%g^4`&BKMEePihrTpw_lsuw>H@AxlWbJ_AxSU_t@XTTHeg6 zpB0{2pVhh-(^NU3v6fld8TPc3Mu#t(+@E1V)_oI7c*@G!Y|Daz^D2G*8nNu z+kt&RS1>&t*i{1~hZ$)=c(Az#5UWSb?V0~eqEvJmNQw>uO$dLN=`BqElj*fgdzfAd zq=ad44#mF-*b6l6e9^G%#yo-p;(=sw9Mh3Nib#7PDIzV~p@{ziQoI8|;%^0#+zU*5 zfFxH2B)L-N+khlDk?ElcnB65o+CxKvu^ey_ZIuMi0V#nmfF!pSNOD`4zaB_(wC9H8 z?qzx<(~E$x-8`4+Bp{9?BM?uH&4w8s;zR0+dv6j)rcspY$5W3Ab z0x|Pw9tn)Y#t`~qOb86T5eWY@rvfnz5wB=CfxnnP#e-DB$v_fJWu(nJL|?>{ONw|4 zkmxZ?AB3k-mAwn35_la*a-)Eha2FsM5(Pw3=C8rTJdt?~5Gu^t4LBKylWT#bAPd+J z^kBwBAXXZgNgK8Q-=K};{thJi8KxfrlHy~S)r8IF9Y9K85s>uV$e0TxeLaDQubI2z zgcQbbz|XN#@hKqjw=u3{{vAv&0#brqft28{F*3oeKuVBaK|$yRQi3-D$>5nl(o36y zBH({!d~-nr^y7dF?W9wk1(Ki-NJacD)2{(h7~>uV4g$ZH`SXESfzDw(kB0!spiclv z5AE?m9?gq@WY{c1_@8+qGlntJ(*si60Z0))K{p0JGXDj56|ja8-|G?KHXwRua|a;F zeSzMJ4BQCp1Nt!_>G1$5Blj?U2T((cGgmRAkOgKlJp)Jz@|Ye9M4x0Hz%=b5p#(3W z9;m}Q4Wxv=0#ZDh5G8sykP_a(^z%SU_t{94KMCN2T|(e~7H|Pc!Cg!j0x97ena%=I z!h?X6a3AKYKuRc-=^s(?)Ki`SQabcuH=^HWdOPijqJ-#`za+2$ND3ZjdM%JFUCs0o z4qwdl0wBdNWI6{(hK^;rFOUpv436eIa11UqP96pfgWTv%vd14L)lGFW$*f@2)6NA-Xd=_Y zft1i-rsIKB)GE^#LS<2Z3#6i^RS%SrcYzddAJeqRf#PitG_L>aa6)yo0!R_dM1T@+ z2lfSh3)3@!q-YA$^qoXfbQRO|fko0o8^TCWQ;0O+M_^yjCz$>k*a!4sqTzq>^*A9# zuMz_^ZH*&EYk{Pwn)&qLrVr?;OlL7>GWG(X zF`mQ;)jh3{Bl>P&AJBI&T?8b>H!w{*Pe}1_AQ{+?`Sd^#y|MXsTw^KxB(OJ7-{4j^ z>C;9<&DF+0q&;eE+F*p?pzVFM*X%t>D&JB#eu060FQx+{{o7eSFx02@sw5v6-Oq&{ zq65SGjZ7bd{Wz{wI&y@-5PusB1jhI;BC-*`0dlCIFYv6dKvoa zrK2Ky=}pHG(~fAtF*8E+e|XfM`VIu@v-aS@{)hUZ<6*rF?Q0h|^?KyB&^SFKz8yZ_ z(G;hjt_+E*J=)YsE3+5OFLo4Q_NTy6ywsr-Fax*Lg{?UxQi^#x`5_R@NeADnBBT^S zC8cFW1@?vIG}Bcuud>j7TXBm@Qc!}s@)pjL!U;%)c@<7fju%u3W6BqiMRG0-OgUqU znRiU|Eh=A9T!8yeJk-EEmHx%cVLbw09oe!N+p3aY3F{PUFTyuS+DCTQr#V8@tB|Gg ziek*+;iR-|F{#Ex2GVj=3S>5J!*$EsxOqF>7~XzR0R@-YE0z`57u=>46cj8fUerv9 zZ=p07fj;XoLy{F*DCfnBoQ;GDEi;m>i?yiSiQ8b57AA07XRcylp)SP~?&s1Q$w?C50vp3;4{f-M-ZD_qQ`P1#M07mJqR*nAp<`1Y{p5F16MFQMWF7nbv=q7f zZc7H5v-r3}#sDd?l#PnJiazep)08R3I>IE3^p#Z5>A;m^u`4fBkGK~b4fpMi$j~=; z3>~O@FNH;2`!|@td-7t}@Hy7tX!%=8j0>?4OpC>^MzM)k!l9?a!`*SP2JiR%HpksB z6=znrc)ymFzMw}`lK%C*;U?YDDKsuQJgr50IK5_qQo<@9EgwsO7S=<1c%mNHIkfX_ zIc~BO%MZfC15xmT+tx;K(rwapCuJcb-jPf3^W5pP1eoUnpzSqWG)4B1UT$4;f_;WP z(Gu`~Oh)7jFKug+!nhVi%_-D(4o%WGw2z6@W}ynPi(w@eIoRAkU$#c^4KnitezZ^* z3yH;P+S_i`=AMEb5mVx5g_Z34u)rz<+*JJVmf0yL{1Wk-g;igvD0*6tmDREy3)0xT zm#(cxP+ivl&J7y^*?r;?(fIJD10%!>5 zD-~98tPURm&gyXZ7XIgn|3&x@gSPYlbO>KS%at0!9bnRv=fLvJ20=GJx~7Cb#|Ry3 zTJeg)_fS%JcWRx0t!n{3+Wd~an`6n>#V!JVg*z20Ug6#_S;dLpmrmK*fyWJ%MWapR zmZ%tPm)jwx-tZU#9LkAx$L)|Xm6n;nK(b(nrxUjoF9U2`6y4m$B+vwcj*i-7w_*Lj1w%Y z6*8~U^i;n4cdVbKj0d93#LXn4Y(!=GKBwf`WD<-&%cJ)HYbG1#!i)njqwxluyoO3{ zoPv`h#L30UeYn?d?23~+i9@^Cv_&K|2WPbi3lvi0FfhVNCL1RkNn|umXfiAyg4Ok0 zj;+g&J;XdTC+tkyl>jQ*Y`&Z#TfSrA_fXl z6rb-~1mNw(s}V_TbrRPkyw}z1-3%6%l0FJ(jJ0A5lly0ORf}hGoZBUvFztx?UPIBs z9^%;C|H{W#fa-*&V@bBt>Df)1GIvv`@!l_}Vcbn~0iZQ$ZN z11pm8igZVEGV{^@Q$VW6`yLdG5w3#{&RD&L>e2HsskM5pP4O-^xW9If*i~I0;*Qzj z-|IdzM$~ELao;_VlzDhk_~=O(-^S`U@M>`EBoNB%*;tckHMp-ywtDVJ!LsxbE*iG5 z!(^v`ix<~c1q>u_%4YNY^;XXeWU4CJo%izZ9$_qa_8Fkp{tmObQf&s>KPNTP#p@LG zTUL%AoR3CqtnpBmu;*DAtI4Z^Y*A@srgz+bP|>36r@P2No5Maj2bPOV$4;wjz5)m@ z;Z8zm5m#^v=C;tKh#nHJdPRzPhVN-`;Z1)Jy-`b-qy_a!V)uitQn|~R-mEb0mwX$k zIaOYGD{ecP9KGx-@Rn?SFK`friN#un7iZ@8ofMj|`ux>;&3b6V35SUs_HvA6C5 zDHgQgqe=A1q?&iYmK#ua7A|xwOgrF-MPID!qPvW=LnN^riOYg`L6$xZhR`3p9@PJe zf|y0`rkADfQC`b}lz993VWhxaE!h^=zxxMJ?& zeEpjX^evfYQJXY5$sZ_5e9?*;sfX$rEr~=OBe;%jp7xhjY7tlJB~flImHJUj`5L%I z`kq9A$;_AI(E>7Gak(KH?RZ-BzcMc(w#t0P6*I5;1~sR-8KZ6N1q&{0&Uj={a+-AT zU(jIwORm*jaWFkFC<)57?{!3!dGylg-W$K*@;p)&*W;!3SMpx1xqA^2Tjg=V74sP4 zqu1KEbwp#$TQoF4)#FB>vJi{d@p-*iYJk;eio_T8Xqqw*UR)LMZt}k~MdaRJp$}X& z4j(J=%CRiu2Vp_mLe_#h zj1;+C-J4DtPvEDtl=KHadassDSCi?ExN^D^U|*o5WxCz3kZvGZ4IR~pK)R&yvUI<~ zKwhR>AZ~N$sVlM_JeU?O_|Unw>C!{~w)qXDi)0hYspxen>7?||Qpip#w$YL+Q5s{ar4Nh?-KE5=^gic@FX z=6(|i%8SL7I+C%XNzrn7(%3fljb$>?3F1Z~e(9AHtqDr>ikActFF3n#OWWjDlh*_j z-v&{t2E3k$1}f>|=IaXgPU2$GTU?IBJz(_&zw^dFyAKQ8C(6rD_0kx{VGdl~JsDQ5 zc_$Z=7Nvm8JaUWC6FxQ})Z><>MM&PH^Gzl`4yL+}IOkz=wquUXGeN|sowpeDxqN4E z_cIw<1KpNypD4xjTVlw6`4&uDPd8mOWOskY<7}%vwDnCGW;3v51aE6}#@njLD^4Q_ zRdM3|PjX^IBwL-K7+sH13bK>2B6H1ViwKVVW)nSHA_t=X!RSGo)glWjr4^OhLIrjr zU~5ieEZxh&w^zb`Dl5@Fk-Lw{J?Okzei)A?w_3ld;4VDv750+x=<77U_`n0Y(-{Z} z40but?~8!F1r9_;XPc0h*9>5HAteA+0+`2>0Wc zh}A%Cf49QNf_Y~_7h{C>F@D6~i+GdKZI8il_htOv;{8apooL3i9FL~v;$t4UHurh# z9^PsC3Xe^zv$=6Ug()u@fZ{Bqu@j2+HFz|?v1kYK@1KM1 zAAW~Tx1{2+fY|%^+_UX^=s&$;=%pdVShEN{Hg-PK_NUvZ^LBrPCMoKHrXI0Biaz=z ztMLs|Nd8Wb+pO+6J8ac=&QhFN+1{|CJp1XZy<@kMDMA?EzM6%v{Lc9p`?|#ImMq4p z;!|4KktGDIer<1F=D8J3kje8pKWZVdhy6Oml0?{n%>2>k_^eZ@-}SK)G3i zSS_jJ%R?ejgL5vcg0o`Z_de`~JCNtieJ{URAHK-s9EELOIhjX|)$|1}PyRlNKmQWHMP2KU3F80@m_jlhg+js1M=T|ZzL@! zqWh}gXIydh5J!7yj zdltE+)qW87Ng*OWda^wC9ry&~9Vv}ZfY2Is@}!>RN#n7beXQbG1jA^tO5<%fIeFxs)gzqiZbM3HBdn_-5b)n(9dt?J6}vld#3t72l$v zppOuQSIJ0bIK+*;lve;tP)bf<;CDas^r82KBZq-Mt&$HvlYmN z#@T4@RUWkrY{&@}Sw|lH;`;6ziTqpb^_KlPu-saI(PUYWF{B1^_ z)qBmfJa6`Oh_N1FEbh+z79SOEGTa`II1hjy7|B@nP|@V*Q!U}~8g|X%0=Fg-FW13F zM7&;0l(Xe^%5zQK()ReSR-MI@bMM%k-bWi_jeD9zX$X7ZSuty}4OahNe3$p5#xCfZ za9uL8t)KzvW(*n&!T;Cc$6$tA0o%w{>3# z8lAXvPv`Jhg*sVp?B`Vd-u0(Z+Plc5P#t?nci{Tq9Y>3epkF`pdArWqX=gOP3`lyh zb5dBEc~_kAfmaZN5^df|JPniH7WXCj^|reb-MGqNf=0Yv3R8}&L`<6bOtjf&C&%Sv zp3~;w)nPVFZrQvsPm!a^=SOl}%h$)8Ov|}DN9Nmq%J;thR1K2krk1+^4Bk>6}23d?z$-JsKzycx7;r1e~N-^~tmY!bKuS{{4-Bwn9dzoor zX&KhrYqUA8SyB3nN0j18W%fvB1KoN>AOCGZUrQ*?KaQdcx8J8Q%^9F5I zJGI~qS9qiuc-9%DaI~pSma2;9Un$jLm#0d*f3Y{IysT}yG@&QTQVS|f!MuVb&EK^y zcADOse_64T%``bHW@B4N2o7qMf`$sCS=w@YnG ziwar7&7r20l52x>P$KiNZzU-DTYh3qx<36d~s!Ec_lUC(WXBAs`^ALXwJ4W>`yGi<~$B8 zDs&W%8#iTUULF~^#G%P0Kn0Ya|1HhJWmx7_5U}L3B(PJNw#khhXG)c6TrrlT99xnK z%d};(PiX10MCGD?D5gDzfkaI6;CZ)EEj1Sxic>T`R3qtH81QtgA1hvZdDK?j8M4k| z*=>_(EB7aspsNoYkzzN`K)TJMqXTBI56uckkKX#I6N6r?_>jAO`t!=ZeEChTDki7O zFLu4j5c?PUW%*xjntA_5e?}2q2v!>Q={Gxm8&)_`BoTv1~r`2TI zYh=Q-7#$h9p^ve9IPFME)sOYTvd7d3vEd{U#}eWCvF9WDirq-xVRD0xhbZ|3eeLUp zu-Nw?IvvxgbUdLS8ywqrJZ(wZ&8+1}T^yG7arcB|$3|GI#cls!Fq2VT6t4t{1 z0^BVXf~SB){~g#_QM`WzQqCWhbdnp`A2iA2){z^8_Fzm<~j|Bzn_38T<_p z4JPSR;Bd%&Kr0?d;4L7PL><#Rfh4$@kv4QugghW6m;)q*>A(S?6PX_kBz?4x#7W1*9UH2Be(l0I7~AFg=p7Cy=(N!~&_L ze(x%Fk|g~Cq?>v;)b2>zJMl)RLiK z6iz4y9f4G*1|XHlaTEt7{5cTM)6DfiDv2k7qnPMz6Kl)McbHm0V&~|fvMoT4`nUMh`1+h$@ffOnF21pUUz&}#BiRrt56kfq} zDThx3QpU0wM*%4#!ji2`5`CA7EW4Kj3W3z_XEQw%ND2)=O5hyks+8oJk0aEybKnh<9)QDkc#?>s4&h$}SAt>T|z&Iei zb&KSm0g{4Z4$tOr6Nkre_-B}kfg2_50aC`c0V&=lApF!^OIrv@;awas5l9IR15y$9 z0z$!}P$0?uf-4m%{0T^kzWx8&x)$iDiZtD~L(+LPbhjoFktU4<as1 z)OCXB$$nqm|AwH}N$0D->aTa*x^=7mzX~`3?jHk@XD=mV7_I}zCj29id~HBx;9;TH z3tdMQA~MW}!#FS$h{tqcoFq6w@M`fNCbUN|RqWM zy(0J`UE%&T{=wb*2Tj_%dx5NhJ-|iydGE(R)<6po#=8aokhb?XnzVTv1Xl>&CO8ww z1pi489goI~S-H+&qKZ3etP3V%9`hs^t1wj@4jhHJhadx%ipxt#n`&p)rzRD@NL!zl z=mna#zAd}N-}<=BkoY>#9cbRikKyHOGic-bEE7DAv4VyzL;7@@NvBx}B7-!Y;?J>& zrkeiX=Qjz>9r!VU|HD+DX1?&RPdDk^0L_mvi$WzfYB4eZZycpjLR;UeWQPAB>tppR z@Q~m7%*`Rq4B!Ewc?mz#HIiVDWS~xHepS*xKpK-d+f#7huAcRY9j82>4;mV8eSqI+ zS3hizAEA2d6Wn$m2&XaPGWKiy^_xw0_4WiO^zRnNyC<%J^FYrZQ6kV$c#^f@8Mg!d zPZ?@^lYNA0X^V63X-{w)AF0ki#iY!nn&!Z8bAJ}^d+;0>&zYaa`NB<6Bd!SLw!}%%PJaIQLzyR{ONQC z<}^^NJns%l(wcrTrly~|rQS#$Zz=X&EG|?USNtM^)eXzllCAdSMal?AYsBcA-6 zuxd=lwsah4x1+4VASztWr8=9VG0 z!n@8Q8`#JW`1)CKdi(U{Zm3%`hX+|y&4aDFd*KQxiF*Lp^3Fb1U~L~ZV<)#8j1chx zFWw9gG9Tn>HV_#1uPlMYkg4-yYaI0^xBB}G>ik@X5VkqtY1f+ZH@%Ka7cL|>;$p+W zl)fyEXqo?uxc>t5nN93_OL@!L;nkiTk>Xn>n$uv{@fO$NED5RXlVH`Ot z!f=u6<|9312}&ZN*Ltchsfy_?RD}-#FIGhl^d~T5VO*@Nwd7#e5DqmAA62Q@ANGvy zXUjqDEe9LZ`1E4l)RuAfq+pwFu9MhtWy1{+{y-T!5C|19pp1R}JKef)ri?VAe+Har zoTnKe^p!p*+N@U=oDyPIWAic;DY?FcA?Qbg94SQpP5#j9M@muULhLO>^+G!&`7j-! zDN(9vv)@4BiH)1zg^49o-&+H!IJ7?xfXiFDn(u^#UP#c|yv`53!OpQQ1JU_Ir*WC% zU`|ah3gm>%SjP1rb|zL*dBCq3u>GqqxI`v$;9e97#KA5@U-hkI-HeWrnVN*SZ3zC`?{lrg&^-i!-Yrq|=cyNny@~n0v`cWF7A4Ir1o6 ziXx2@590g5tflM^^IP_DI$G3p^!kGwR?w5IMDkn8Z?!g)EyObzNQUsNuG?TZ52A9q zUb}3i{+a#tXjX1dLZ7b2o~ZmjM{)RBR&jpQ8yE7Mel%R$9%sXb%|;40v)*z21TUV* z4?9A$+~M79fl!$*`&c2BfkHRt;g^G7R`WZq9c$q^-M{a*hRt>VO4yIwGc3kx_*r>} zNm;$-+>P+pec}OjrV9Kvpx@kuAML7bsXY-gIq%~_fc{>Ozy-&P!`dmIR~z&E!do5D-7*UhP5!%PPra-o5=pN2%%Gk*cn8~5t4VAH0R(E3^h+8 zccqRg9E_0FKki&e->V>!2*r>@zztWEV{eT3Cqs^~xfe{dPlBD>|Fjpweq8J|u=7p@ z+jp0D(jYB7e@it4z|L4C!VE)@UIaOhy2i-zPWG|lur7T`=)6DN?nW_m z$o!_hLf4L~F+d^WLMt<@J}a`~aPTp<-K;nLlXB3~W{P-@ro#~z>mY`bl2EtnzVmz- zn~s{QJK(dP6zL}C{;K^qrsmmPTNmI>ER7s)X6qJ@JKNM-2I;n!%TVWqu9D-g&{7=P zpVzmNJ*NM`D+>El^U#zmg7x4*SQGMZ`L7}c8_#S)xb%N_0;YVs>DKLAy)(euqOT_j zZ}mJpE)K3p=HE=>e{iH6;t^SM2;@bCJL9d&YV)* z-s;+M5Xlr(ZcI&$EHLt?&PyG;$ypK(KtmAu%jx+|XgB*BIy^f=WVX|_09SpC$M5#& z>{y%a8^0^Ccm#QkxI4;jUJf{+Q4Li5@bwcy7sIRMN%0FE9vFPU>LUb6a*wTD} z`hRE#Z`F_`7v?UeXn)3nDfRWLtMuh!a_J<|B?89|)rlW(*+qf>&)kAzuXBV>E%owg$a0NFq#y&mtNIMoqHoCON1WLT0 z?V*$C)1ymI&Cj9;-Ras`0D;5y!ib&>K>jP5w|=6=Hi_& z-~&wb_+9IJBA7t@1#c3w+RRLb^{9rio*lla;{tU7wmk?LY*qfbW2}0x+McZTeeNhw zGyKsp!S^m5Z_$%(LkWw+>tgw&H@_1|DGHaM;qs~HxCCB>p|=V{ks2~ZHpKQM@lvN| zlG;KJcH_wYQgVo_UZn6s(|Nn=-iOf}Aod1B>EspY7(u4ypSr~DitM3h-y4v^bZsqx zoeyJpzfK6!;o-ez;vYcW7>d({j6D)52I#Wm#04k14Y{Gj=j6N*R$Rs9JjZ#Yj& z>u@!H1q&V&*SLb`RpQvVF+(h2ueK$A z&ZbUXdrhm+o-ZR0cx6Y-YO8Q>Oq5WlOWkmxx>%K+mXM?>PdgH$DHT~}3b8+R&M{+G z>yyzA2*P8=5TiUkW4O9M%i#$g#+s(QxH;W>3RGbqnl%b9q^B?;vFgmF=Y&FgvM*`=(!UUkvwEzi?mJ5h#Jj!e4lF1g61#4&C`lWhIb(49P#( z*>r4B=&c^dA*LNVsYU7zp{Z>>-yGtEvZn`g=x$Z~Ov2m)d;jjZ*--!cjUz@)+Hbg% z&F@Uxg6gF{OqqOs$iC_Gf7O=Fj+CG&oTG)1%r9l%n(B4Fd6lbtTEeC--nIZA+&Hs{ z2l-l(Z^Frgjc~01PQ$n)KusV}XPcOjH6Usx=%YIXgeq57EU%8|^bIivtEwT_Lpi$@ zYt|yFs;N4Y6_u4d2N-f=m9;n-9cS#Wt%l5BV?7Qo4`6|%AtT<#=yEeN`T5?EQD51x zG^4hDd1jRqFLQK520pKCI5Y`jG%Ksu_!j2o>L9sTQ)sMTrA3Jr1#Jaf*U={;^9W+( zih@S*w#GUvH26kk`BKf$xETUxkDLFO)>dt>`F!(gs&!_O`G&^2Ivm0c=^UJ4Ja<;v z%rsvBzBiTKkmkF!%vV}imgc*us1W~V%`K&Mb_rdIOM+>(iZxZ_@z)ll`PS9c`YP(H zb#tuJ=QdN)QOCu_j|`tqP#4+PP=h53&AAjAu#c`%o4$8UU5(CVJBUqH z8vErY@|4Yi<~gCC7kp80zu?P)hXmUNj|g@OzOG)lJAU$%{}%G3;D>_$BY0ZyGeK@r z)0|URZj9e%3{!0z<7-FG;;JVMwU}v&1d9c4R@s~4w*|Kdxm9qR;C4Z7rPDkhxJz)4 z;KPEC2<{VnRPZsuCk3Ate9px2wim?VkAi;^d_|CZ{4__@hU*fpnfqrUPYC{(;QN9f z2%Zu=E%=!rMF?ol34WP);EO3SJEHcq+kM8}=0VWh9HVh6&rcB2+RE7<%oJ0it6j*| z>cpl&$+6gtqq*Iby=oHDrFo6tDNkHNit)J02E;ulp53Oj*KT}&)6CUD?cFXlez9?V zocmJ_`*{2CXy%l-<3ir8M)K(AtZviSsoKW4AS#9MPC3hYit0Qbof792a<$5SHs+eR zJH9dl+^#+uYQIV!5gisMm+Fj1?&_82gZNQ{0~k*iiw_QuRg|gx2FWhVIhk9Gfp5@JEs4LHItE`zXN6h|5NCrLjRl4 zzZbeu=+#2c5jtP!1R&$xhZ@8Je|j}A19%${Z5K?UPyikBOoycFgdQujS7^7;(L(p4 zg%Cl~86d+`cz|>#a02K@fH2<8z*Nw6f=dPGXoN`3G;tUMWKF~XndAS!Cm*J8=}!Y$ zBRd5Hf(rz51&0b=z?VlR_;&-*|I#M`8PEG581Fqmrn8uI5DuxZjD957MvLabh^OyX&<DP(-7;(1?{XJg!4EMg^Ye0s7R_I57 zOn3*7>DF^godI}ADl(bA8^|gu2eOK81wxW49aC#9z4Ql6IhfH$fQD(K` zzFYcx;{FVf8K#Cj7nA+kjX+p3ePX`Uilcf!w5HybFWEFjqWgi3c}^7;vo6 zBY{}#PQOCjx&6otQK*s`;`#|ATiA zOe5_$d|;`tUJ(3tQTF;+R&F4u2^j+<>g6Gdx&{qi5PHliDDP+A|8(_)pf}&wsXqTX zRj2yYIj2t5e05Iz>YTW8dB299g7r7Eh_?+rSG_W^Z^}eY?dFY;@{h;^vAGRP&Yg%| zRkG`u%!Ga6=>>O<1~(gzNK#TSLFl*T(YWa`Y*hS7b(*4ouY}5~?i7TkWC$4l4h5}o zZqWT8t%Tw}o*)P{inO2^@9)^}Z8g&Two{UtG#GNgw|0|R|7)3^B-22;`_PDbTmpdB zxOn^*Rj%Vj^Z`TQqv>4i;&f~5VZANhX-*{#x2Ut6a&u}F@At?Ei+6zYe&*C6PJJ}e z;(fuXgEv{!{^`(<>EByuksovBN=~f>l-|30Z%2J{l#|xF1@Ygk%iy28O88Oy6VOQLlc{ zXaYmgntj!t;6&pB2v@ro9Z#61H>LjCQ@0>=_P|R7FX-uNHkLpp@>x7-m}u03fF_z9RP#AI zfmOPWVs=tsIpmbkI$|n%hw)&cFiZ$E`!lGI-ofS1xU5g{cSL4F+N;0ahR@u@p+E_+Sam^QHYA#5Cr**n-4iSrW_;)Ck-D;Qg?0o3u4_08~xS zuoSo~uq}!C;`i)OVo{G4Oiq68WtN^aOnjM5O7f`B1E~za0(E$~xi$7pe44OXgkG9J zX9+<-gw6tbgCfpcOw3Gz98sv2pag>A0NIv?{Vd~obkkTy9!$nQ5`)DscVUqY=>Q@C z>a|<1nr0*v!^ZcyCE=m+<*o3gYNqwcQtwt8Zn^hS--0<$3LbaZH#bT?VUZ6+$;Cwa z7m#|S5XZDf#XnuNkjIl7Y2cpL2-Mb{8|5|bd=#3;IHUk2c>Z5ScXhoJR~>}2z# zB5@B}C*_H6uomeCk+C18p(!=^%o?d3$>_^)nQ0=o1s-J1-4>BVqGAS`L;p=tSt+5su>lfXVsE>u4Qa7tRJeMZYF z`QmB|NXfzwEjs8VPG6_=?O%0yOQnoT4TvDhZC?%aUQG}3)G8cQP6Y(gSJv59^}OaP%)g`O5ER(Xha z#>nQ*=QN6|(q2+v1>CZ9s1#U+wtK*?r(CNw`wyU}H)w@xrT+T;kgC*<`k#=Wvl0lx zd;t>2+;PY&e?t%Cl|>K{t8~902bYn!tm>7?N-(qt)7C|~wuuA;pM-AP#-iI}=vL|a z5!v>WQm90>olv=7(n=8Hbgy+pn8`lRIzN9 zZ0@To>92&!FZ)hc>P>UGK~>wtQs62yY!Pc4DM<+aKCsgHV(84o5U%#xMhZ2-8*HTT z^ryp`l*YN-1(G`j-6ThW%HdQp@*x{0-{J6Rf_K^Qaz?BUxE+a$rhxJRv*TmVyq{It|f0J72UQjH{k#} zX)iz2rZv#jeyvrG?QZUAsQQ)Wzv=gAxsGr%$XHk(4Z2-pMgZ#q+ z*6shq2FRDz*+Q*Rq33O&B?>IDfgMrcAscu<3f$e-Mz%!}h5dcN2VG-nP0IJRoqjyQX$14CAT}y|vIiHQ z%3K*Udy#)*4xZ3$?B$G-9(%EOc=bkhFk^q}Q`rzSTfFX5{uQ(UFsAW)_Fm?YyluG% zvXDC26Z9t=uYyp5+9r%r5h^MtNf^-R$*yD$9C!jV`bC=2eClSYZ^f2aV#0RDS2?V3 zP^zOfhuu18SZWf?QaVWr#G#EU3bLhxvJxZc?va`hnyF*iTZ6`?u0{wd!Iu_8nIbja zETYu-R|PvaXr$Q0oP+bl$5_?iBC(7;Gq_s3ogEuIM66 z_ep<0P^xI8vI|)`skRxbLXRU+sOh=>q4IN6*iG5_sxOsPz~7Cr=%|=&s1suz?FsWG zc=fZLz3D{>)msvMAfdJUM#}n}r$V=wb>|m8I#zDIZ4n#U?mtS6^Yg6qiQ zos&)NezN@a=tQNuMF}OX%@T@)VB%6)pR$PhYv^BhNxWXzhrE$A28M=2?9v)p`j6XK zpPWp`=|OBnPDZbjgD`7yvO{c2j++H@rmFif9V|i#O+ybH+>h4YIGr`xIz4}J>aBi-+fvw0LkdoruB>HZvkxE8shap)b`Qw(c zhTLLx5B$fgpW|JNc~?n$(nO+c4LIpsL4TF5vz}n7)0jm9d@J{c%J$@0yC+SdE2@6U zu(V5oN60bt4zGUIxPuSt`=UaxZ^pD~C|Y5}k8FH^4&Kn)KVVkSf>9S^RBvdbRndnA z_ajO_PQ&!FXBXHG3wZStivF!}HiNx6bl~jch-KpouG-gA30XCD=MoYM75|f%+q*N7 zIXmy+%#Vq=wmTEf-zjtE2gFoajx#O(9eTZwO>}0eXJ~yr=58!P8{U*)GA76kxP2i1 zdMybC#9HQI=QIujbTz}r=-ZLIBJahL70ZU>(~K4{1Kn@8nF|n#Al) z%x}6gZEF(qN-mhq-I>_1I-OkS31T|_lFlYM(^Le}H{=}%o9;$F!Hs+|%{KBT9xyf7 zAdMW1Oa2qwNNW<=j@t9uft7^D;b~oES5)G^oZJuEKu+%anlO zBO55_LS=s(236a@jHs7rdDc*Tck8p_B8p(ZE5W9`IV})Vi=!A1G1K@9mhyx0A|u~ks|6T zXTBWd0gD4|^+_ds%wc>EzLl!}ll1AWBsS`|VsA&qd=RVBF_cHIaE|I0rpAl`f@;n9 zx>PeJ+Ho~j0-^guc9&BkfGB3`q7p6eYW~IcDxOQV=H~w*QiipX^|e;A!4eoE`p^XO zi8u{0KAT)SYalL+J%m!)>7MvrPi5Z^AMRL^#`@%^_1}j@z0UvdO=C%UBh*#Ey8|NXfkW2p;T355KQTMt=@=`mes-|y2Q7rEBSJcW$SLS3HCd-wTnjxn4#!YwYhq6LyZE|r zIrep5V%>R%uMjsuK6mGMh~BGxijEM9%@)HD1EkTF2S?h%hvW5dXFo!(lS>SLml(9F z$E8P195s7>LQ_EgFm_;4))YY8Ds3&wVH*qbQnO`ow;VpkhX=i}Jg>5>|OaFhsVx*`2t-pNp$4cC|1~t+2#=d6hwD2OVZ#vvUQ`VAhh}*=m^_ zfi84vb&X_xht2aB$)Q`}TJ>$T0>R0nf{o-CO7)j|>?%1_;S@dkY2f)F%~suFcJ}BR z-|`&wH&HVK-$pq?JB2Vr#+jA_XRpFLPK-_kXBe7RrGCy6J|1ITYb_$$^`pLyl%q7> zY&G?Z(R417chJluf5m^f&U6GVA%7K3+?t3=xyp;&QvIS8?@F+d##5@#DdI2IXH<$L zkl!U>!Dg$XTY`}=Mz%jGQjhm***rIfyM6}RR*kk#ikM0bHHB47&~Et&^mqBcHE&cF zKN!>dME$?xn*WbLF@;+`nw{e+-hwil|s0OKew{ zQ!D9;9$LON7b_o}TkfgusH*lIiUpe-_4ZKFNwN&p_PyDH!c6v;5rd~4fN?2I=Heh- z87w_ishR%O@(v7)dx>wVs^@p_Z%}_aeyp{6`OCUAQ#g_75l)-@!`P+547J)G`7*q< zGB^?=|L9+BI|uhXoI))34088O`Tv-|iHLXc@rVeyk^D!}V)&)N8-wB3n~|#d$g+E_ zYI(4=O(%e9Y(qb-U6$7Gj!gZe!h@(n(+2JC2J@#U5d^$oEKQEm@Z`*yML zRWD1a|8sA!o_M%!!?9)&-i&=*Ztt`?+M5cmu0*j~9=yCig_qvE_=p zUd)<>n#$ZC{c$YXPQ63XFJXNrvri|aiWThmgaYxwEdxp&4mMgv`N<^+y+#X;O`~xoK1LAx_Kp?VDluhC z@*N-Lstx^x7~%ED@$bFIF+xNC4URWc&x{-YVZsaIG4U10D=}psIZ_fPRKF^^!5@ji zytur33`;=yk=%g(R@!tOszdst6i58Ukf*86?Wn(!#&!*?2 ztfD^_<(F`}*`~9{bNZh)J=>;#w&@QiaDFl(n-pHL=|WED3Uf=jfX5cNYSRzf^f-3m dF*WBsyBjJPfquD){)U`u)30y&vu{$5{{s@Itj+)c delta 8038 zcmZu$3wRXOlI{)(1WD2X^5T^j0RoA@ga8Q;Ovem%>x9KmRIZAE!RW3LBF-p!)edB4 zO*@Q&N3M}8%Ka4O?#g%3++cVFCIpkXu1myk0gcOJ<SC((b?=u#hb5} zPTR2~^yIGVYci?}z|F)Zl9Y6dAPjC?5p!QZ?OsJcrT9up76`(gL@c{ayptvspUbJ!CRJ=wnWhzs@;Psx$@|`<{?nv(-O73G zCe<;KQ~vv*9}4f8%*mZ5bG1pW0cG;;ELF)v|i41_&$m!<*KhdXR)GtI^n_QM8)+;1FyKcd(*gHB>mB@5sv# zQA6#t8S9ZPFwv8BBNPgV(d=r%?Xl05)^~V9&J}Eql%XwGnr~mS!nthG^MYF3>U=Rw zK1ZbFewmb65-U06Sx3;#)uIBKOYpchnTn#{Gt?12$|n1jKzb4N80_h2M9 zE5)GFq@J%M*NulA#uF;KC4R{opfyyB1Gy&jXT_05(=SQ zx>vECiIc^pESNZM?mS9IuZOl?*-^dZkw>c+EpaNgPQ~jxMA*(H&gD-o`sbwx(L;*u zE89V3V5_v=uNMC-z0q3kZk0UQn4x~3=b+?H6WPMSleB06=cVPIuQ9$#a>fkh7A*IX z4$$!?9bwTaET!)d;det!I${VN5PkeO6l7q{HCU|O+?D}h4{ae2Ehp|xCQ?ucJQ#@$ zBu6U^8 zQ?EIHlXZ8_VvMtU&PwiIptVt~ZJ`VlTnVUzpH4?L`Yw-ZZfy&Nrr;VT*Y4&;)0Egl z5<4vk3T+eqRwMj93ny2Y_(g)(STGd@6HY1u?6P3mCKI+1{ICU6_M318!FO0N<%HlI zQrklDFE|I*wovv7nkx?W-$#<^kaTyua&H0F&@?~*(@kaFmklvVrbAbwDONM0yEEH7HvhFx)Ps*;}Zqprs&b18+j zn90^X&AJQL-Ka46UHqP`#WY*MCfseGqa}E=f_*r&SSx>0P#ShoC@L4fS3BB6_^DDU zie!gTHXfm(m*-^4KD($i?4a~eE}jUpM_cUDGGFvoumq*@l96D6iE8C%n9(80=ji0W zm}^cIE4QBNr&eA!PMg5MoV387P{WKKR-2qEeF4;LJFdbnudxr33;MrjgR{P2N0U>v zr-_XcAEfgZHXDyvz?m>`w*`D321+deg~l8*$pQ|CfpiP#4gtE#;z|cfR2>ImQ+VrsNDkE!a$P+>OJ=dNq;lOidRX8ox>H60@oiV!IGLM)nxUdixEyz5Dm;wxic4KEt- z9F8IMhAeSJm$-wS7%}wL*Rm0}-WC!<=r7)hNfE~w&_vs1{0g?})8?vPSEA9)vPP!d zIS0@$(gS|gyD;;7nKU@Mk@gnOG4d@Aq2-Oy1j9u}vISR_NiUT*#uAJ@GVm_2YUJ4D zq$oj{b(`dl!<|^zETfa{9+?q07UNWD4{BKQQ|!#hY02-v8CcLtT9CA-Ohmsk&dv%( z<%^fuqEWfxHda5XP<)=XjH(o0W?AX!Vm&KOpCUS#GyUD9;WRtq$yk!nyJVJ`k&~23 z3`CwWz7ON>j2YrdwkBh?_%8b*BU8MO{g^Q#qX64u>#p#=D9F;D+l+hC1);q7oNEXu zO*G2c*vzbHp}I@US4{0FtD&^5l9t8vz~XXmQ!{zQyKxI{ z!HSS)Dek{RXDLaQZHh0x4FkM!tMof-X!ur^m^EzfgIRpC=v7tHOJyr@^dO7{=SW%F z-d=Y+(}`1tLq^6ZluZ5QTIg22_wvo^p@2_B$c_MyN97^5GOIW$)W)`D&DY!{x~iiK zH+ZE8W;yiT|J_B_uJSyN8wprvqoVJVJb$}{^Y&$QoVM=3)$0_uC2v!Cr;ffF4@UJ! zD%&1jwQb$*ZpmFrapU!r(&XOU2*VP{vd{=_nM2>oHe_e#9e|-|p!~dnYKD42DsQ7v zTSVs_RZ`Jp&v7iON^-?Cu`}6IwNH3mzi6(q%A8B`JRd^3ba?1(iGFCmRm6nxD)^ZB%A9QqBT&cvLD%Jn8cRzWjS1W+RM+%}wM-1-A- zvfEBNd?kOS+Q45==+)_VqV!`lO-Xp_zrZ2Zd(-$4?7Pv!v@}Q=11&WOHQplz|7gB3 z+(OJBp$6OM&q}Mnk<}qTf=S=3zNm+J^ zc3lnar?w4GiZ`*h`T21eS1x(t;nlznUI$8Q$gBj6M+E`8AsW8)2Q=KsHz?rL6n#V^ zeH#PZJ0W>DiNY(fIV^F^uv=fiihFxyzSXi+zJH4-xgUlO+H0S+*YQh6u=w$LS|;$? z76a2wlsrSp5c2H>W3_3a6YYqHGBePCO$QI_d}=i8e8l44^sULPB&NMDll#_W&L?JW zU*;t4T$4M8xP$s~xpPfs5ix&CV>LO$W3N-7sG$ya_t>GDJq>o@aPVxQ7Ytv?-*8A8 z)d1-Q(YuvAA2^71mRdoI($N;^oJcR^95Un8O6%WJ&H3CNSa7J#8stJyznH65Hc|XL zD$hH_3rg$hC}W^zsdqmL-{A`b#3qNuESb~c8OtD2p<^1|KDlqmuZKWH7E=;0GecIJ-Dp9d#KhAk=-MeQu;h=|&0X%w}N8?dG~YJUb{ZlPuLv1BVGmLWN? zc9quNANm7NW9{;Vc9FumWHjY#PcplAoLzhAaR86t@UeB{Bf=Y)ATZ@JAN(d|r4GR6 z#{omt%GNE%w#&6QMAsms_5vWaiYTHBY=fTO?l_31L_dP&xKoX2jvK|mHz@hm4t%cY zzJ~1~Ei`MisQG@cg=hi|cB*Keq;r~CDmzO7wo*!YJKjKHzNjdAELbOt)~&CO(* zU-yud9bX5sRQ)?!x8nW#C`uR9WBM#rhgUSEt}RwAKI%G2ryR1=SdgT_R!==9Ac#7Z zIZ1?2i$usVAfEt13&LN7QE)C#7lbltdz`KHME||{;dPgy=o1(8JG|T+X9>Pw zIqwK680h&5vtUH@WU&=v2szk`jP7hb-d}Hx9331IF^rv=kgg?#tw3p*BW*9V$*rgR z%XRJCfH)Z7EFzU^@Gd?UQs@At!d57bmBn@v=c>UWs9Zb;&9dGe9NuR@bi{x-_)b4+ z9KhF({&kl^k~^PidBfw*7=H!AffTkmZ$i|Rq3o-?=>xC8#ni0+#0KY25Ia~`UQ#?c zvaC36lWVL)Kh1v58_H_(qqSEp$#n=|yEo^U-E-2lQSmlW%|e69_tgx!$QTIbJ0jp< zawKiJ(V9u|rXVNH!+0Mo<~_?xI8`*Own?5S^c}(K4juuhQ9>XYiBs1?0TE>xVp-st zBIAv`cjmd1(d1AxDwPNI=yfu_?twWs7tf)6=(>r8PA0r09jKJgT|N1E3{n9 z%Lz}*4>FN(_rp+6w=BKe9%%iIdxM;!`W7K8PE%I!JgA`=%#W&G4|kW|v<(>EI?NQ= zyb@G+nQj&N)#0I&6l)ahng`uQ3z5!rD^X}ZDy>(Hw-WxJL|KNyd^0O3Pafh(GwHPQ zq!S22$;y)w2_K#*Pl|8mNeYE&aoweOxQg59n$vnBj=3i0vLh1`;)^Ih;w%fRuP+*m#SHuIBa{l{*!Sr-U`z^R8v{+Kn}#24fLwhA$-Ou zA9#U^c2`)8K7q;lXT5EUl7=EhvEcC5l&Y1-Dk_&AjRu#XJAH-6Y31k;j0((!55y(x za9;dBM11OkB+i!H`^op-Sw~T$TyM&Ip-fOK|EHp|y6>b0O-e5)N3jo>w7A!r(payL z{Ec+l;>vdDKlP^5W-jVnYWL=2^0Tf#BXlWhkQ@{gs7VwJ!GuUy^`=@Ogq=6DB#QRl z<2OS}@?;`A0w2Omc`r|nQpB%ZN14Irbyb*QuX#6;HpP3_WTleP>4>?X zJ?x^27Rq~9Zdiij^r4qa2L6DlE%O2u{CP9YAQ$hq&YoQ`L*QwWgs$FLk3F-CACfW( zXX#ykAO?pEoq1pf0vGvn2|Zu=72XseU$u4wc5582LR?#M$+-67I)dv5T<38u#5KqW zg`UBEHLhelzl!??T<_uf>~tv9gR2=YaJ-)$q*`Si|>|HVWhS-<+1DI(4iMfuLC!rMPU?ejN68gVDSO>dSFlqJ}lOuU(>jIxbA)=O6)=^74 zM8Ck@2q9`bO&h(N8^AUT6k9eWO*?>(@tEB84T6hCs@~aX{%i1Lw1cIhmLoB+JTp=^ znc~g|a3VX=ql6>byO{>_Qg*>OYYA1*x7gkwf7H_SErO*GuMNgp0J#XhO*GOpEU=C| z?kh??sv>tpqs5}mN!4)( z#N@LBQy&tiv;1jI;*Q4uoz^Dad2cE?3A<|VQoQ{g-e+S~{a@2!xYna6d-N*uFF31I z-=0|9hy!2sP9u+ie~&h z_I2^JxFKpozmm_Rl4568z9SZcKg))-2+_jR@NWVxV<15M)>`yk*h~6RbtHa0chain_as_ligand, at_in[i].chain[0])) { - if (at_in[i].altloc[0] == ' ' || at_in[i].altloc[0] == 'A') + if (at_in[i].altloc[0] == ' ' || at_in[i].altloc[0] == 'A' || at_in[i].altloc[0] == '?') { if (chains_to_delete(par->chain_delete, at_in[i].chain[0], par->chain_is_kept)) @@ -138,7 +137,7 @@ s_pdb *open_mmcif(char *fpath, const char *ligan, const int keep_lig, int model_ else if (at_in[i].modelnumber == model_number && !strncmp(at_in[i].atom_type, "HETATM", 6) || (!strncmp(at_in[i].atom_type, "ATOM", 4) && is_ligand(par->chain_as_ligand, at_in[i].chain[0]))) { - if (at_in[i].altloc[0] == ' ' || at_in[i].altloc[0] == 'A' || at_in[i].altloc[0] == '1') + if (at_in[i].altloc[0] == '?' || at_in[i].altloc[0] == ' ' || at_in[i].altloc[0] == 'A' || at_in[i].altloc[0] == '1') { if (chains_to_delete(par->chain_delete, at_in[i].chain[0], par->chain_is_kept)) @@ -291,7 +290,7 @@ void read_mmcif(s_pdb *pdb, const char *ligan, const int keep_lig, int model_num if (at_in[i].modelnumber == model_number && !strncmp(at_in[i].atom_type, "ATOM", 4) && !is_ligand(params->chain_as_ligand, at_in[i].chain[0])) { - if (at_in[i].altloc[0] == ' ' || at_in[i].altloc[0] == 'A' || at_in[i].altloc[0] == '1') + if (at_in[i].altloc[0] == ' ' || at_in[i].altloc[0] == 'A' || at_in[i].altloc[0] == '1' || at_in[i].altloc[0] == '?') { /*if within first occurence*/ /* Enter this if when arg in command line is -r */ @@ -448,7 +447,7 @@ void read_mmcif(s_pdb *pdb, const char *ligan, const int keep_lig, int model_num else if (at_in[i].modelnumber == model_number && !strncmp(at_in[i].atom_type, "HETATM", 6) || (!strncmp(at_in[i].atom_type, "ATOM", 4) && is_ligand(params->chain_as_ligand, at_in[i].chain[0]))) { - if (at_in[i].altloc[0] == ' ' || at_in[i].altloc[0] == 'A' || at_in[i].altloc[0] == '1') + if (at_in[i].altloc[0] == ' ' || at_in[i].altloc[0] == 'A' || at_in[i].altloc[0] == '1' || at_in[i].altloc[0] =='?') { /*first occurence*/ if (is_ligand(params->chain_as_ligand, at_in[i].chain[0])) From b410ea1a6aab7778f353fd5095f557786d3896a3 Mon Sep 17 00:00:00 2001 From: pschmidtke Date: Fri, 15 Dec 2023 10:08:20 +0100 Subject: [PATCH 2/3] issue-119 update linux libraries --- .../LINUXAMD64/molfile/libmolfile_plugin.a | Bin 1675544 -> 1676168 bytes plugins/LINUXAMD64/molfile/pdbxplugin.so | Bin 43528 -> 43536 bytes src/read_mmcif.c | 1 - 3 files changed, 1 deletion(-) diff --git a/plugins/LINUXAMD64/molfile/libmolfile_plugin.a b/plugins/LINUXAMD64/molfile/libmolfile_plugin.a index b89d53267404b07a935c96ad76739c8aa50fb9bd..6e391a4ee089f0e2bf26dd87f43ffffd7cadca38 100644 GIT binary patch delta 27244 zcmch=3tUvy7C%1c%m6dYVP=3~7(ftolraTCQ818)p$>(HH#I6y%tu;iSkT3MfC&Ww zhM_I%`oOLgm70}$@TP{QWnC*Ry;-56Svlncdzh8x|GUpVgGj%t{Xd`I{mtjIS!eCF zA8W0>_S*ZLv-V;6^V6zcnpS^jS*AuXsp+QW8o`qaTQ!0w{kvTws7dshqUlJZ3N)f8 zJ>bxYp0uz@BYM)Sg&NV5K55s8YSJc+)hMZqUEH((YI?YzM(at7BQ;u2`l?l>Tw_#HS-D24l&+@dof^rLwk*|1 z|LautzwY1$?U(&8B=mc(Nz;+`NE$yinFh9KI?|+m8q=hHW$cf}RD0_GoVKpjm^`T! zl|AYAR*gwb=HPZsM@pNgF?-U(7LD1Hwijy5o^-ZUV^)(Tt8A>slBK4nsx%f)YAw`Q z)Z`!8tm#O%_tW@$QbUWzUrhm`L(`Fxb2I^eHI@C|f^RsgBjx2Mg?$mwz*MdHwjf-jUS8tJP94>HiFP4{ zOJ80t>S({0Xcg0;pc!IsYH?|GWbqcQh5}U;1vI-4R1voWMRORzHHeGdLOVYF-a(( zp}Tz3DgS;kO-QGe3?$K!`^8*cVq8Kb&3?-qCj`)jM(F{Xe}|8seBuG|nAeS!PnH6M zLr#B4JZu#9%OMNICwRx)@LI}5yST!e{If(GwU>!bp^@rlYtt}!?kX44M7=+yPB5iX z_Cs1dwUvWSCxt8&)2OK0q^E-qX(Oq8p*T<+IDlTS)x`voF>a{ z{}MM^!QYaP#gSJP=oAtde`&Pheo;@k2cVx^T7nEAhYm2Xk^DaaXs0m@T$Go5BI@I> zV{p_x#Am)7r_)LUI$2%bV69zjiQ}Wx5)Fr8>E@-A8wYDwny%NFGObq(*LJgZH0GqY zouU`n(j*f_X5lI>&cyTNL3eAd*K>(vo^2W@H{YwxGj%j)A!b2TI~(Q^oF!Tm8X>-1HcMU?sO#2SI4r+EL{}zIn^v!XDJNN{a$k_5bBas*cVc{Fiq0-B@2@frL}(_% zP+gj!rz{5Is2ae~G?a7JPhk{N7*ch2tLt){a4T&XC5FlyQ+308+)&HOgh?RDIg@lc zr_dsgtJYmJ6V_7HY-2QGfwYTFJs4l9hP^#_@40k*yrDbQgJwAF;(6`#dLJQ?+LL9tOUe9vZVl8{A5?-zT^^J;bHrR!-9tMn*pTOvB;OV8>Ysx`&E0tWZf`Mb2y za``K|O&)s^llpUc%h&1tV-5Rnt2TBcY%?-a-ndgYHk9fyWo4;Vr#furH=W|3AU+gq z_J~PAOxiSk5EsnJS87Grsu-RZNyp=`GDUuiWxe(&6BbuOK3}GrVijqr-!a|5jxAH1 zyyTcJJ?w^~GLpb%H`(>Ot}R?>m-~cxb@rcPMHpw)@;Ml-3ghO&JgCq_?l7-3`13y9 z0E%b^fFY+h=eLpKPa2cR-OVdkmlTIZPFa4U=+UQ*p>ln=*N1+8fiY#}Y3=Lf3Z(jv zp~QY^UP*!?xm=j;)k&Wg+Lz&F7yFqy*|#(dIdLY=aDk5*OZ_k}tC(Y=qik1DALgT@ zdgMTk7luKAHu@UCFkKyld${K>kL2>aOa7^tn02>!4HT0S8cZW&g+}@OEneHl3d!mJ8e%z>3vn>Y=3HbU)i5xHqJTX zod#aFGO(9^Wne!IIqIFJ-Mdtvb0aLhsPU+G0$ksuW4bum>zH>^!1XLY?P1@$uT}d($=`v~IXX|4dRqlHj5sKc6&1a|qYpa$3l8`_QUav1hf!`UKDpKc6@;A&!bn zLL8J5W%4=Ydp(9<(`pyWD?)s*2igV>00TpwMw75tc@k}-r*~l0lyP+zSv(-Xu11yx&oER``_vg88Wv>SjevR?Di$0m= zJ3!oP<2%;ISf8Q#8xJ+*g<_YMp6F9-Qg#~hw&6ZW0_MukBd$?!>qsbgg>q*=?en4F zNS6;=Dvsk;fh=Dcv6>*m(4yyzRq>50TsIaKMo3q!^)TPKUfK!waLMJ9WYC*Tq9@f%AlXQS>besV@ zP4d!rwjGzZ-Y$%#N#6Q2>}l38P)f%cXrd?|fOeY1fQ8mDu$+$j=J7d8S@J z{l-joNtsJm^LJ6P=f8wyzM@vHqi4t4y+`T0_O{!gM+0 z4g=IyK+lc^Y?4F989aN7xbX(3P^j=q<>L*wL-5w?smWU(Ni9Hydis34fw|g{I{}L5 zE(YxMEP&zgOPtfs=)f97B+Z{-(32t8fJIQ5Sz=re+w)J`QXzQ>@`1YyC;!5pUxw#B z?I*O!muDLOtkk8HQLAN24WWg&U@8rvp+#WnFwJM+B5eoY8%1HZAsK@^bhhDcF_BxG zc(^a0Oebd>Vgj$HK4o81SZP>c7t&?JDyBX?Rj)QY!F^O@qroZG26l4#MU4i#SRcrp z{zf2P8v~&pT4)Nf(iurGQ#&#ZkvDOj=_$UOS0XGiYYjA+(~akzRb0R5>`Oal8En+H z#&C-`Xs~jBB9D9CP-MUHRH4HT>~tdEGOX=MDK&6b`;Hns&PusqU)P3V-NbKM>%+Wt z)ZS*Wip}aRYvfd49mO3tSPh5OTUHm}02L%+gINTEujOXWY>q%@9}or$k+kPHWQbGm zRNhr~24r#AbY86BT0Ze-oiJeH^EoDJ%J_18`h+1U@rE*ul;P7_M`E!Ua<4B20!z_k zz>73wimy5z`=|Ii#p1+H;{ieJVrinf2m^sB%$e$o8?1Sp{k=41C>(Gb{mOEkxAEL4 zT63o%5o11Qn(v0|?cd~#hkZZ2dUK*a2$`mA-INC*a&49Ga{?Q_jkUUXA(-voqU5`>r`?PP088>+EukpQRn;OQwHQT0A<4Q?Sr&dXkl*4wd>3UkcK(bMJAHiwZ zue#hP)rYHOh(F&yx{w;;lDE(r#0uv zO|SWmwNL?jB%o{Y?X)9uihX_gI4C>JIA1mdsaWAJ@APH!G@LyixJdJN0gI#U3~ZDy z@A56U?w$d=<>B(SL%yfYoi+)|4P4|mVByr)zMl$WLIS^UNte%j>)YJz#)h@U%eb@$ zHNIum%PXRdrGi*Al%8B|NTsoTjIK^I{ZhA1mc?eeprPZpVaaC`-4GehHCsvt8V!kt zD)qiao#M;s&`riPWqX35P#$j8r}Ft-e$wbq^ZObHu*FB1Da6Ug`x@gMH{=`ZVUDpp z5+-uI$cPECktRK4?Btn*V)p2Zt$LFfSWasg*h|M5a8Xn-z+sxiz$sc&Y`mM!{c0K@ z$CMZ&jW_Ikr1DsXKl(UaZanCR6>$AxD$PAg=qk z@jcZ{P8gknPI(Z>HZ^uQai}Dka&Rp=9Ta8u!=(Aj=rq_>2QZzv1>8P-WlS^Z`}2Vn z`5kCE%{XbiOH53njeU*r!m~7bu{Kn;d~IA|h#MY%##K|{D2>u+rnvg*dO12PM(6gu?Tb$O1I_c9&I zb7Ke?!5Ph}DS?8%fcRO9_UKOyy>#Wus3E6IPPuA^C&gdLuD;^hsz);t(yi4}9G3z# zSIs=DS-`ejH}@&y3SwL$h-lCrQ_kB0H1l{`1D}{o<^=1o*Oh^pmyd-MAFr zVm&le8FA&xl}z&%=*9gXTG(O=qAO`Z-gMx+F+u$Cck=ncc*ls;ADRB%((9N4j-Kkz z(CVYEI>n2eio6!}SI}dp=KOk1so#E}#vhE8=5-DWw%gftYaJFmzHm{(kH##_tpz_C zZx_zdM?V_-!6*FwqcJ=wyZYN7U9WB}hkjhu=Wyx5U|Fy^QM2Yb3Ot#yoie9W&QC@w z_JLD>GET;`-uHhpK8bDl*q<>Ugg5E&3&ww-zaGCBqwNLp7gY7-IU=)aMnZi|`O|6A zFGgEfk*Z9LfSubIE5Ztt($l{fKePSam06b;r1=*Z)MU(fXZGlKGhEf1sO+M#hwv^v zf6;iiU$Mi!sKT)h1%&D%+3>4ziAc}?ZX6bdDZn-55s?aGx4nT`m-T-le-|8ATk z%%le{8GHI30UKNn>vawHOsk;X< zsw*57=rpTtywe@P@mk>7)!)(B%f>i(*viYsyM(dwvCGEqgrMcH^UUfau9|I*!zgx3 zU4r9OUpjilxJ7tj*)pl#<{4`cHSXPDHvWD0yO*e^Al*4&lOkVc%?d{ws4l=3!0Ncn z>Rg?x+NF0@i%?v8M)iYZU3I#{?m@p$&RDO$bWV`=1W(gzG>VtVu71yBsOE~>>EEK{ z5)P47D}7i-;BMN&Y_w(-A4SFVkY3belbw%@ugtB)oj<h*cLdDQ3L`6kf?B|=8mmKftLHolEBV;% z!Ze;%KW))m{V;Ro1Sr_d&c+ul$a@y`{kgK}?+HNhQV8p^G_+G9uW*(R|CKhl*!SEaf`8 zSt-S{=I|_Ar>sYL)+i;557@&~m9_$Cg|`$I;>Rd;gBV}%nu>IlE#^u)-dTA|_Y7GD z_P|&%ly9#50PeJWt^^iaaD^dYJ9&3Mc>1iG6bIMLWQdK)qoH{|QfS!=OuKM&{^=EG z%oPKGmCtiTY0MRCF^0H|#N{14HxQSD_@xb(!Td59m#28y09<~+FGDrOM$`@iC-afh zd8TBrabz}#9!n@jFU^Htcv&wsiA}##j*nz7Tl_nCFXx7e21Y3hmEu-C3*XJiLi61~ zt-z)GVf=v-m<5_E4|OQv-&_go84c_(N^pOTmaz(}?08!1d2I(}OlMwK^AxqYw?ofe z>iy@>S~I!7P%dLhAR~G;RS;Q_Y1rxTcDxSZi0I$GX7+rB?D0jy9SNB1Y|{n zqsq21(|j$X5{K095LFSvGoBl1qG z-%S0<44evbR?OJqEG*^tJK^AEY=`2zpJ!_FHCNracqf*}> z*&+>fW;=3+qvt$jm&6qA`t)LEREycQ%eCB9qk9iyQzCsosh+y|OZQGz*S1dLnJYW_ z9!0lMr4dsVs@!=Zz}*aE@YvW;lBFj~ zwz1t{WR@28qOgXtFK1T&o(ZMqW`mTo9U9SmZ&eoc&IF&F>OJ5mlF9<4uwH2Vdw-=& zmco;{g6$Zy>-xO|wuY;0(c1x1P+12bxFxyD$5zIN{Te=A1P_tJt1m-(g%$mx%h+5_ zg|;9>UKX~Faj>xAb;E@WY*X0G5%#*4S9g2NgR&w{Veg`y0S2}Agk$o( zR;ffNOR7GSf^FaPsLUqP7g)@(@9J3+?fw{-ohD6vghr#zy32ZA_-DYZnqYN@`is&b zv)KJAqr>A*DtX@rsqJLE_XN`=`+>%GfRt*J%)&t$ZIhzQOqk`B9Sm!*@;{AEr<9z+ zRRgZ>Ejfy-rMN0BIf$!exSCk<0j{3G)gvV>xFTFlD%pao<+v&=S%<4b;p*hA*ZyE)bfY^J#~ zn`3K$J#4N_<=FGUuvEu!?4Q8UN)L{$1$M8w(#o+HfIVog^yZl3MWD0Hl^0<)=>8>O zXy!YPH35q?SGH13uoQ`irFFqlRM=R0nq<&@T>|sECC@dT+gHu7kM8{)-dho!IIE8{$oFRHlCgyyV2fNvr zlemw}bEH>(QXDd^K8rcr6PW5*%;Em=2^{^9FH78PPRIR=?OQr-Q?a!Di{1#4Yhd~a!j#gb7cU>6l*qD>KIn0nzXs{0^8WCW^JxK#WBUS&6QtpOfheB}TeHu3f}F$*L*C8ul*D4wr(c zcZ6gL%B=p;HJSBMgZ`AID!ZnbUJjSK8>V16sYZjvbRb*`H+(x>ZI`V=Aztq?KTahm z7>H#iZ+P|3u;v2RjGeVGGD1r1-Kpv7J;=qQieSt<)tWlWu8ojfgR>`pm9_Jv=zbkr zT($?oOvz;uxF3a@x=#O~Up(9Fh|lmo!P#BPiP(rqlTp1JQ-5G~%}lK3=S~g%iQWC4 ztKM_!4tl1$^ah^fXGKb3lM{BM$!cu#prAUh7x#C@lHTi#J@Bp zYG$sMMyE?7{GBSByd8~ZI@P61!L%)1();i2LMx{2jCML*il81DQh@K{YGdi5+&e@1 z$SbrynYW`?7v&|GN&(=vF@;PcC7aliBKICC-L9j11B?Mlg9d71vu_!cr2I`({ti(7 z4p#mSQvN0=f8*KT1f~3dMEUL8q(k07)Uii$;@(af6^GT^sPF&NG4aS&CJH*X4F1Sqt_oF<+|bylXiw?Qq_?Q?^^VakV)WsgNqQy$e@#9IPr z^jy7-w!LJQ=oDHLCk0R{6QztpTG30(btEn%-4sAGk&?e3gqqC8y{9KrV?hK>U?m&BX zqgf0(yYV(tx;2dc!6s&KlxmOr>*=TYdQ0e+>WuDcF0tV>ItmRWh0}s3(CrdHh93&& zqFxH8KhOcqJAsy_+zllJM<~*YNfAm3VFcyh4e2ICG%Pq^6Q@T|1caoN1$J)i;uC85 z7b0jh6YR?fiiIS?3B=?01XI=h7y@Q5;``lsmpvnuCd9sxyrc3+p8sYfjUERD@od^w zW`}uA6)d7YibhWXA&Pb|6@3~-M_ETFq8eiVV-vsQXh>oY3<-X0bkdPLHl0B;^T7Yy z9yH-@*yg1?NosI@CXqE?ax~kG`928p%1`)}vOi{mH4QD^MiB^t6zVich!D6&Z z9o>tL)}izrD(>IAVZ#?TF{HO5C7mvi{_F&jdef{2?KW{3AhXardpD$hX%i>%I^rX} z8z%f>6BnrHvfd35ZkxDLMc4Okh;6lrn^m->cf(nrdpU{~V*Mnj>!M0EM>i}!W)p*> zxz5K%b8~8lZb&_f84|5XNGtBe?Amk_+=S><)GP)A!WD=yPCmGgI2(50)%ha&@LsgO zRn0x9mTFg_t`BXfhc2W(ymrq%4XMX%bb2zHp8}UCj_A{H_5|j=N}th(W;tOJvpG%| z^ZhWmUrFLpwZM@+^idfa^u9@fv~CI}eDmL6jfpq$F2>x%8O*Jr8N#chHm0>PP>c?GFU_XxEu0p>US_RQ* z_5ee$*dvBp#y?}YT0d6dXhg9x(|%NimtuJ%-THGlra#3#4f^>0ynbQ-hFK>eK1W06 ztIKm&CvY0o*?Zy>FjifK2HD`x3H zu9&L({IJkWmi$0ahIkj?WTl*f9v`R-kz1we68I2F3A}W4LPNw?HnG2oPEVk-^C3~O z3M&(6!{5N$vINfZltHxNd3~@ji2Ks&L0r4_gSbLIR-rJM=j#Xa{7e-}iM*NH5*t2( zqH+?sh_)eI&*>`MqQW)~Y2DNCJ-Z*%S;X3#d4nxC(;rK)YL(7{^lU{B{RA)e*srUy zjmZsvpesu!-8*YVwH*#(2F+l)#Qew$bCJzVFR#j$+Y-qAy`PJ4bMOqA0*Qb zjvi&`;bc0ipbZ~=YZJdgSuY<}b^+5%azg~x1Fsa?Fcq7Ez!W;mh$$4YAJd|LO2bFL z+QgyAEtG7bw<)i#xrby+SGK~xMsrt6!yhPiUkdG5gZ@fV8e)I5iHp$4^FWti4>b*K zZ%ARB)4G{bRp?~)CJa9&JNq%8%hC!vMZ{`tq0iV^E`RIIpojjXoklbIe3foxMEpGT zhwQWfbl+(zy_<$6R3KP(Q>@k!I$q6m@H!opTy{Fj8Xcz6`*oqG*vZr%+87LY9|Vc9 zQ!2w9b~-y%w25JMngu*GSgoJgrM@>J(m=<_ldm6?WFxjxE9YV&uN&#F_m|WyfJcCK z`Vcg+ts9O05&jwb=~-*_!6E8)I$hP5r*u80^E?bpn`%lYyV8?s0;4yo17}h0XRfLX z+uFtRq!EJnUJ6Yx2!loY{bX7orHVd7d6-aptf`MMltpBvY9ohg=)7GBB7XRVMWb9? zAX!D{lVmDG9UOEU4JiCVb!AeT*f(P#$swX~SQ@*MgIP+OIwp`Bqq zK~z*GS}0+mgy6%RPRH_!S|&-JN*#lwpvO;%wJTabhjE=ia@FLjgsrHgp=mH zDE;J%&WFD)T@#^n`VGl0)RItx7`T3KGVOWsP{H<35wBnLCPrwZ7oBHk%MeqChtc*OH^Ge?)x?32bwTE9se2)@t%YKoKnH%qzq zTrcdDMePzo<0ZMx;CCfl> zB>!jpJRwi)ROZEJ{8)6iKlw2Qk71yNmH^OeD|Bcn$%l5F&<;i%zyEU3Hqsadl4!|t zKjnyx638F^tY6Cw4w#L3&G$~()#NuN7*WRS-}bvk$4VTuPB{g~qQGeXegwheq*BM4*M}mW_3Imrax&%+^rtQVdocV z-D2E=E}gASq8uFDA>9O16842dCxDq2L|20u4Q?NBrV$}-mnWF+_MFoaTcVj_qU2X6 znnwHIfSZ&8v-w1f8rYbATT(-8vQlXYz7X~>kK&QJOk|%|0F;T&1N8u zUVjois3E>Na$8e7c{|0stp z_?ZfJ{Kw#AZ*1{%(fKg1M1!R_N0WF+brF5N#gt}f!!u;|(<-rh2A8@PyrG_^kxc_U z&ZIy-FPn;_zreO~DyVI@>99X6YwLfm;TW1@r?!;io?^4aor!W<=`ej*g;Ojz_h@GW zs2uh@MZbOyCeu|(9Q?>nQ#j|DANG_Rzc6jR?pZ_}k{m}kajBE{oitejJ0fG9Fp$@C z!3+x(md9Q+y?@=~Ey`KTd0KOErz4Gcp3hp4bF5}|dRh&v%^@5*4WyPvX@tDkX1@Ke z9+Z{ydYkJ5MNO!Dc8D2=kCYSfN;JCSBTjet2-ui%P?nvQfES2KF{gB_G^s{)fg6J0OlbaX49=DGhAM8R;XxecEhtUQY$geG*jQkh6m z{NL+*GVnA%!N^Vq!nH+xgLQx%3p7|%$KOmsj8CGW)X7;n%nt?brC!-!FgJ|nZsDs# zP9KiGz&`-7FWcX6-48&Vo8iBtR~J`Hk@x_Fa@<|s|CIkOL7A7zW^d0D|HJV&bRHw+ zi|_d74W_n-je0rnH~&%r;l77{_b@Z znV$ZKzg3J>HekJJ|8Eu@l_STHuAWYh;Fc_G(Y1Nuc$(LGwd+>#K`%ueFZ862Phs~dxHCkVq=0+GxH#n) zZ@oNxNWi%;OZJc-UFH#=y70mpkx^whIl41wwfxn%fKPh}6G$!%7$25^8{TZhJ2XO0 z_SU_E#am_%X)!;sf}C>#MhbsW(VT#OfeFZFuclqu2mwj2ykcG)POr@gD6xGD!Y}*d zKl$ZHyi82UsNP@srFroybn~MD!+lv?CX3>#{79~TG@zFtY^K-d2H1^R)h+HkygJ3} zeEMQ;z_7nnAvPeZW=A`ia8=K9B)QN*MH*iIur8Cz%aSz3Q!?It{5a@>yF_`rxXG~} z7+$|CksNOJvKi6s2$f!RQEy(fm+qPu(A)14>tu`7x5{dAw^QxBfbiHAsO4#j1$vYN zcYlvpx(HATQi?BiTtUxOV;x2A7wEHj0nuXaWeS=f5Q&FUgXaf0f&%g4MqzA6Br0Fo z@4f>W6#qzojqc73uu#tT!IAXxd|a(s86YuKZ>+x>J|efy4>$0EbTOY5Tewrovmqj2;jf~u8JS3p(Ha|wcaz*eO@C+ox zg)tLPAYK->`F>|)sLtpm4;>PCo0nXh8rT*j&l?*kXm31q3CE}Oa@(DO7C$_WI6ozD z7~NhJXfRBdpdS48()sU$g5|uaf$jb%FzWAt!8o2X_3weJ0lZ2BN8)y1RB2#;VHV9V z1?>VY0~X?~-tG?Mt!SP=WRj>!)Z9!*Se;$eYYs}e)C0~Lkcj>2P>Yp%l4i~cd`ftZ zE~AvNhhiQL3=XlX-tk?v@V5x`V1>V+e2|3*xrCL{{Rew`nsn0FDz9w_{AYjqc~#&5 zs{fnKi&noAXrlVN?KjKsz7zOSy!d50?f5j%CY+}AKL-Yj7t(3NL7?O42t(IoQ0j$1 zTj-_?&Kq0C&LVkUWn9Q;SarrG`VONF=K^hF;V@eD3E=Eul#&>rikEDD?{!y)ctPA-L zs$=BGmEby!=DB;XZTx=P&d6I;^5!n&FX;>;N2zalKkPzopzu_XZ&Ar#cOkz|qZs*b zD*193axu+kjTD*4wgb0!RqWsR}pmo=hD-iyG+Rv!9W4e$_5di^mtxCSN3pta{FmkC%zV}b$ z@C=Y&Qpu10i9CvtJ)A%NC-QtoZc%H$(uG_~>lt~UO5W9le3*_f@(GpvMHg~5`3(d4 zv`YS=3;7}qWn>=~C6AxqdJaVZ=7ln8CL>Q&$-TOeOKBw|KdzE@y?JfzXXryl{zxU~ zynQYCE4s|czp3Q+_FhZgK{2<0Y*$x^_SRnLk&01Mcyc!8C7r`0Y_HPD97*t(5MCS+cG5g|LdSZl?X zK=}cbw+yu4XTW!OHE|zrUOcGcM?oKfn%NPEkjc%pN@6=|vYghNz4TO(WwnTZ80aX= zNwFjFqB#p?df?>yKD&*Y9>qUc1{YyaC;W_9$VN z-7e1Zr5&H+h1MKiK`ciDS?FZn8r;R59D!n|e}FJbcdL96bcOB6i-3?_+^pi;IZl`I zQPMsVj2%>S`c1%-syIB-LBs{J&-l_GQ?0?|o?0{O=3SI zrLrD|s&J%H84WStND-5)HUXx54~ow;@jEWk>)yRjO4bmYzemWCq5&wm@m~gvzo8m!KVA?L7ifATfM7~j*I>Vcy6+b~Z zrXukYZ%jnUfKq4QgNUJFbtq*m)VPV2=?)rGY$3~06x(eff(;bK4waO?sSvN9$<8!2 zR?TUB9%YoAX=>Y5VF-G1PC%JbiHlaoTNWRexM+)!&w9!`gkUYE6`a)xp8$2eqE>ia zW#x1Ti;rT=weTt;BHI)tAc{t@?rs+#qID!noaH&0P#9s;M6luO$Jy}r;~KX6 zaW*264>rV9#IrHQBCc)1G|VtR`h%fULB^b+rd(+46tm`H1i%%-I>IM`*9Jd6;w$|q zVy03{F}baNieU)v^HQIxrM^TT%wE3XjpN2)K5N9wq*#||Hqq#F*w*8{8Y|ToAI`$u zCfBo2kfPjCYEJ1f#052-!9*%FDQr>`a!kiM8B~qh<}wpE)zv1NfQ`S{1pFJo^=c<= zD*O!%!RGOGmOmbVa5LI`jnw=ZdWbMnY%40nnCU2(MFBTC&arS^FI4MQtN61PN@Wthzt3poIy}fr zki9!v+54c?4_zt4bU`It+{cWFsT-ftRHRQSfp@}u^cVa&ljBu5&0m@M;w)ZJEcK^Z z)4?bwQxofgwInP>%nPJ{!9$pi>8lWSCUfKI$x|7W%SZ@hk}kGj!dJ13S-tD9VN zAXn(&RF6gX!k2^Cun*vn4j0UNQko0u=#C|2T$T@!w0) zC^XTq;!C)onHbMN`e+b@cwKFJD~sX;uYueR+DF0iP93zfa*J7uC(t5u#%>f~!nX%< zS8);f3^!Q0eFP!Olc_XZ#iQ{QOqsB(LB(EDc#e3R3hz*1feIf~;oq&agAIa;E>Yn> zRrrPq|7E4c55jh{rh07mfJ!;4!tbnH)Ss+0`hKt`263GQkl!rmEGmfWtS>%D#f$)ZRWlL`>0=xD-2;Jr$PR&S2?Q(=w|$BR|i&LQ44hCgh5$tHYEd#bIU;c?N*C&7Xz zJR(c=n2Z(nUgKN(@JZ`Pp`C(iuqm~wAw3D|6k(;<&BkHMuK{NTR8oV&r)WE{kXh;- zcpvo!#?$0jI6cMO)9%)LOK)iq-?`cz!iQz2oq-^%5Pawe}Y_ zl3$%QIP_+f`6FFQUDQ!(opnTr9#81lZ+E8|&$`@2D^VS13^v!H%WS#~tm9$Wc6Gb% z>C#Ryi_v8qO0qv$nc zpf=0MdySP~89OO_BWku$J^;18hQN)r8?8wgx+5$f4ZIFePWcSrhM0jII>JCCg}(vN zLir4Aq?HWR(-8)8Df~@<0?G%VvWX#HwB}7~GHaIQH&OT|0LaTg4y|OMoQ^QCoWeJw z&bcas4^7@|9fG!2B10P&CUgoE(`|uT_fz;5#`R`!J!K2Ho=z)SMz<}g0m}d>7?a^5GblcHN0flb|0~jm-%G<{3Y*(~$gy)Cv zfPAO!qzOB$_XtVKtDD15xOZ4(_l}@%#Xr5ik@5N_BjU!-G6U(KS4$vfLbO zM`L|%4rW0_GZ=tu3>1)?fgI|S9DI+MIDkwwrvCEgomROu%-(zkZy}c% zLX=N|jWdQYr5rK>ZKq`tut+{VC{5>fpQvW1F+B`1{!G` z)@}@ZkUb=gedT#vNQkOG<*n(qkPy3g=~$;XjyX36>z)Y>v5J~D{?;)iG{lY`$AzMS z99qUeBOLLo8tt$BWG)musu9(sO^(qhsf1nJQ*%At|FcFLN|k3d+E6;ZN~2YiETuTW)jXsoeR%!Ij zlEGlmTuU#n(iqfa%+qMDrMZ(e#!y<@RH8AiZQ|+FOpQ@Zrm3}>Ybp4%#uQ2~G-*ts z^qya13Z-wBXiRD{cbl)dmWuXi%%QZ>r7?%nS5+Fbl1i#H(&9eXQ*A&ah0Cifx7ETN}x_RX|mnNuQr zB_#Gp8c;m3cy>{7QWsxRQUWM+Wv)2z%}+P%%NOkOYNPP3ASBCU&4ON_-NW=g8g(q( zE0j>uKMWo!Jr*7>l+rOt$Pj8N)&j7V#xhVvs~G@~0lOS)6*d~2H)!ygiI5Yiu`e zkPYFzl=(NEBqy&Fb0g7o`Aec+dBn(^5X%PrKTB z^Ga5tl23$ottT>ph(nF!6~gvT-TY7OF}2w z_>4(MwT!Z_GbIG@etnI}|?5yI>jP)ZpdWMoxB7Ai0w6>Sn zE14#YbR^1IUuj46ys_BwYfjz7PC~ux7^s89@$!lkT}afesXDK)oDQYx*s|bA1K3En zF`%Ip48+qR25QNX4p2k4rR&D9rE2XCTcUg{U02Zl#*GpTcBouCL8prsw#qLCb$k>^Cq?JY3B?v-B{P2_b!jJa>cgP1Rl*CYB#`#IzATr3tsBDRF`4g*Mn#K zmQSV=%c2b2iuW(o{UF`U5@h?|bOq}8SFP81#gA0mt6Q(zEs%W{+*Eyv&Ol$K>s)gE z2Hoeb8&yRs&RA2Z^bcLU?Ej}OIa)X?V;Z&SS|T0#&c?fjIvwY5y^$@Oqi8JrBo^J( z%w5)>v!Siyx@2Jq#eS(Mc# z^oOn{76JvM!df`2k~Ym8R%si>VPQOTV#1h<3^FjCJ^&B{o#?npz&iYq5HA)c)52}m zPE;5hmZa-H0E>qrSY|tV^0YBpZi)>%V7a+q_sZGb!vapBPOi*A1DGxcGQ&c8>N5y_ zw6nF@{3rqirdBx!c>{ESfm*T*1~^Q^87QDi1|FsZgTw9-`}eE14olG1JS|jb42zTt zv%~&zhcH0){58x}bYq$1bW3>G1JKTlFT&pyw7$m$8gCZTXnI5VKJFFR)=AWVz=dLa zC(-Z$o2txw&AxMIsDWg5?x2wELTqfl7PmlZ~a(d|uWm zJ2J@mTMvDP(eB{XMp}V6Y|L!K(HCjOUhL;;6ZE~b{jo1l_9ZJG&^pQYm}roFJ@sjZ z8;eL+?u;5C@9VEGvWgdNa{5qxx&UDo3=64kasZkk!XC9Vy}+((D5;Ck`I)cG*lGpz zE-Kxw*FBS?PoJ&Roqh;2sH1u~+~CDh^Fz2HgQRr^110MX$wDE` z)fv}`{O&XVvYmHxw z6bj^Rw;Q2>JQ^?>uvXqS+Ncki(w#=HFpbOMy9?LTxf}(!7MI*j=ewERRCSjz9s|1V zE+g|xzcFB^0eQv@WBp6qc>b*#PoA;2n5gb4=MTeH8GFhCdFI{5#_*eu)V(xnnUpR2 zCK$^s!eRNv*~aEdTCVI06eWpOdOEnykZ#z$ldN5k*e_Qwh} zWiAA~C~@jh#n{Cv7g^UEI+1ig1nrkhYa8r|^4$B40jK*0_gV>w8d^R?J4B9o+_=h% z+q!LQpg&R5mCkoDr_;l=#sK#VCu*UsC!E|-+1DE5#U)NU-xYZ_euJs+-{5l4h+U>| zdalUaPV{!A+1&@QX{P|Zw19zl+QC2`T|Q-0tZu>s+C*WYj0LA>|CpPBD4KIsLiL>Zh2ny!Ge%FyB;@7gKD&R8t0K;Uf$jrfmR5->qC# z?I-V*CZqW2MLE9%;T}(9|iu;Gj zCl9PJZPDLwzoFcR-BE2ywF#y2iswzknr-~CQp3w-(1~8*;nc5-Fc5cKD_%ec_R%2* z4wK_W+zHeUf$r~k(Ugk*t$5LNx3+(1K}eQk|6%&Zcw^1V?KYZTu?r{U19dH06+4-@ z8kO6Pc$2buqxm_Qf1m!-l#G#0yI0Jl;qO5Ltmq7^lMlRSDu}pI2bCubrJtKF+LVD( z?(Up2*1RtSv3EayW0WlKIBVJ(b7L`?Ar6%fhnb&hFJ#KI;>|FC>2$7(Ssi&cTZCW9 z(bmzKd~1zf8r9YjPX+9%sx9tA`*brWV^cP(n>m9L&tm?(#Rvs-4g~DYdUQ7{u29YBYF1VA8I%$4afC7%3GONpD-D$H|yxM^a*>u_*Pd(dP!e~g5 zxdUZ>W%goaxce(eVOJ;TbXqjk)F0F%jH>C$WfRE}8QhBH@CMr1&t;*cs>yPGCMfgFHzSfb2ltocQ%Q zwJl{LWCvfIi6)0n`s&uo)X9Ne-{_P~*D4GSNw$@BM~*;cwtv)+q;p)>)jybHOX3yz z84vP%6(o!!zNu9e*?uV(g4lB_^ZluNv;E3*HV7L#)z&s!qsgi0mmB;7J;_=8zTxb+ zOINQBAMkT=W1wP4a?*v|;MKr31H@zN;4MKZUJ;7%0u}T9-lPjZ+Q!uBe;QckvvMAtGn-p2SceZRH)WUcI^%{m?Z20Xd+cpD)pC zJq>N>3~AH6QuK{3NzilP{Q) z1mP2U=2!Exp!T|G?(8j0x}d5q-|x$*80Jg5z_k1@&An)Lx5-l#2~~T!ZLlmX!*qK7 zqWRzM@qz5h{7B8)Obb~v-kUq({j5N66)peG++KK(-uTTt#***%E-v$LKn5Y0CrABm zULhKwefvO|EUmv}9%L!c{{8CJ3)%iS!B)PD^q0+#2oKPr%jOQ2k(fPG6KrkESpD?M zWplhX5d05)e%YKDnb%lw5$dhD!~byOo$6H~wYg&M;+x*s9)w_-pOwq0yfeNrg5yhp z=LS#F&zlK&9?*1j}%TB|G*=&0t2+RvfmWa%n1{x%p5;qrb3F+YBWP^Tekb> zf;Xh>s;%rtTr5hNFtcd9t*nmC+pWC7q&Z4~BMNEKoLPnAXH3>8r01CeJ-UWbaa_J%X>{(iRKCp4a;HDS`N-eOj~qRgM1sJKU+>K@yY5H9uZlynpp zk%&Saienr5BdhA57QZKi7`C#uG&5ZCMjUAzgBc6ArkT2Uo?(!!d^SB5F8RB40#$LI z-!F#u;r=lvxVKTG_&dddG^O)I_~fp1I$Y}M%DjB_DtAYV<{2i=nF-GC)JZS(E4U1O z1-4EoE}D*>KB9E>euXr6!u>_F$3M(9(w_N(t(^1-CtYcl>rqa6P|3x$`@j^Xt`yp? zm)b=2W1Pyq%pBkemBB8rvz0e$sYx&0Q}Pwow(e{FWtCY z$uB*)EaI0DxV)2JMr*KS&G)y_6zKtCG{sVjF4(q|DJ@czQDVFAzZ#`=B}@Le)={zu@FBVgU_gvJ#ROtsai zi{|NA_CA=|rSrnk;Z)Sp*b!*+4mLgy0>+h1En9gs5SX!qayDExzKaIHWE09(egTy$ z%v)^b-{QKl6EDiS;n$1)fpwh*a zI<{F`f~UaEHf!g?F%=i>t^xI)v03?9W3$F(jen1AehPCcGLnwwR)WK3>-+Qwc5{Q` zu_tR*dmvcWP|EmlTcPG{Wqo1xT%=&WKRFAV2c-^7^|BKhI%<{L;Z`%lCV31{({Kp9 zNWqMF%>v9;K90uQq-Y}sMnO{;+8+11kJ+RiCI5ltURxkFn5;}69c*P|;UAKYe(U7^ zjk{5WRn)DSz#&PBuWe+QXxIV`M78J}1Wv^+E;UOlPe(6uDzNLDbRn?ojL1s{=}Vgw zUUC_ZtXVc>LC(bM*;rSPFlWbhgivHoaD04Da9E;J$+ywhAvq~3Lb6-0qRw4sRPM*rKSD~Q znK4p_u*qyuqE!*n#0mdpaklbr;0>BP0;u^`Oej`n*O`dMWMxq+V*;b?h{kow5O6%F zVkE41yf-^I)1McZv?n(>nI{HHiq)1N`?_fJRZ;tjMyD}um`AT;1bT-tLms>H}KWYc` zq50N*?XDrjGJ+S}1EIWh)hV^%tB1T#@#U!W!! z^O%Z(A1~}%yh{KP*|USX#~QmSdUa@6#|({e!1x>?DN>4-{saFTvPb%lONzUL?Gn&d z>Ht(w)MBZEjpb(vO0%%==js|`;H5(MI*kpAi%nxHR+Nh2zJyJva{bKAu#U7TQpyze z%0EU*#lq;!;IUL}#hyg&q@zQUzDn&-9NqYivJuME@abC>r_AinZaVz(QM?{kf5X+};#yoitK@qISF3PURJ;^d zt8q1@_^}dPuEFJaTX_*I9oTcg?zfds#j;#gufUW!%jy(?y3uG$C{tgVa zByj8nU=wZSK90QzY>urwf@A*xHrrONW0-fl|0STP<^qNs&94KNU@JdM8BvlC4@(N7 zq;}pvuFuhs9vep^KW(~A?W1dM#a!g3HEz9CO)^DVPyUt>UA{)9+F6(Ww+0 zE%k6%(LT4a+)1Z%c6}w%-O*B3R9CdcHal!w+1S5;flY<${)*m>mb#ZDGZ$Bdw;}BQ zI#EH;G(#|T!C`lhK$P3?DlC``vEyba6Ban1SzRvXjF0)fmb+Zl2iXi*!fOJvTjli|S+xrba2 zhr9Tqwzx07+eYec4c)K7#m>i*jUU=bJ%lHzZH!bUWYfkNX+jBM^~Vr!i!T3(&9H2L zUU^-X?YZ6TDrqTxgItcO z(;%H=>NH5?7-m5Un+EMUs!jtJu*T!ca-^(A8`1yJehOYxS$%SYMg9V;KFpQo;^9RV z+bsp}@CR~&p9ip27=>lYKmA*YuSd4BK5WZS+5LSyxoEj0xtgy@AFFE;wQDOy(&ud@ zYb4g5z$DfP_6r5d+5=}zcej<=8u4r^Cx{v+)1tOgtg+>yVhk-R+0+r4ome~a`Pxyy zs`9d0er+rDPiR(sa1UDurZ;*pN!9f&l-D0lyOv8Om^XZ_4>RKLfZ`h@OmC%u7}8OHWf zn@PGos4$3)8`N4EcITnym|ExJLk4w5{y0X)34*gQz;;nZs~AyxC=<8%y}WNENe7beyXq=Ny;9bKQov#34Q zyo$LM!Md0tUkOMfb=m!rGzqzb`}S7;2eAKsiOO}d^50+i@2C9tRsQ=Z|GkudrEIVM zbX#xHL(4}A5{*hUIpjUVrI*6RuT3=Kc8H+dIYJ87?*&LOZ{_DP)40i!M=&edDE9@M zp?dORJEeYRlxW{*NfIZS=}H@|Td+}&(dhoAhjbDpgCPu22zb=U=whj))F8ep(YPe7 zTkK$|9``S|7;m8~V^F`P`aG~{mg=~AH+BEFPO@T&)8r$uU!{dc%-6Za*DQ40gSP5u z!mSn$-u&Ix$>1dYtRAW6gm9CPUk;GYnBL_z0lwhBIvbJgInwyL09GhW<}tM9c&`k zXXZT>AK?_SCW5RiM}rD4pd`c<5kqNRj0zJ}IMb!nAU@9_=hB@EDa zc?gX7bev!p--}dg63&pLD|#I3=EE_)0tL^OK;zpN;m;eVmBc5!N-u=R>D9X>PxOmX zT!qXInMxZl$=GjuRQ0lt-Qun&+KJAH5z&h12trx?FTBv{8qLXniKe(xr~q8nf!Cv} z<34fIcS{g+@ab((64m?#HnlmH8%slM_3TgG;+a^AV*~VStkN}F+6@Dpce^A} zeyLZYcwC9;aeT-FamtVnkK;8=i{oQj9!KL!Ff{LgjiwGyM^pJ<=p}J^Tb|+Nw!DDW zr<6DQ7}3Q`+RzGsD287tc8?=eB-|omeg{TB&CfhnyCmeN) zo=yt6I{zy}^;1XfVn2?H!#h>SHMqsmDmtZ8wYAYL&f+LFJb?k6-VsJns%BW%se1M? z$fTlsJ5^r+`Y$#A;n^5C#b^e1rZrX2?X8`;v`afzFFWoQ-{{PBxwkX7mF|-|$?D5La~Jt*q`+oqpO)HMg1g(9(CyFo|@J8SLVZ zUFgapgFBkN+F`%eKDcvNE?{a`Ue(^N+|8U);qTxpZl)WbrD-ah-;L83tN6PidUu-5 zde*&q4J2RDo$JrpgAZ$(3U{jTtO_S5(CnEgmB1T$HKFty9mBg!A(TjI=YcI~;*Gpm7_u}l+y_BK(R?Q{$ z=3`^(%}cfG&BvyTif8v$#wJ%qr}eH*_{lBKQPK6ixqI5eVf5bKH&*|@dvjS<^AeoQB z1rEtO2QE_KY#6|6-><@-1}KB~#{jOFuz_6NDFbOCDi<>cDs+mefswt{U27M&a*DVY zaJ$JPVC(S=X3xoibY4NL4_^_ zQ)t9gIJeFz^x6*8lu{jc7OP_l9ak_~cmd4YQmS|U<`&1Nko9@!EQJ<^>)ql!WLk?> zgDI4L1Ue&>{oO6T2$Z$(W=i!4pu1A4&!g;dv^z&yBMhdr1g$4}zLyV=fdlO6*uD-A zDZDg0LFU(5syLpV(Lxo{Y|o?3f!yqYzh zS9q;NdoLyQM2#^jA1}3(U#La5m*S=g?r4k3Pj1E6dC59ebVvW8Mn+_|;{WQQov2?t zuARU$rBaYFn`yI zjW`vBt?rL&)XjUSw4GuXVjoe5H@56|u@$=>*02y0zbS4Dv zj_OM#mzWu(Go@0xDWI15S2$(tGDT9)6rF=EWro>}p257fH6%07D?%%FPGxX2&8Z7;qi*T3Yz+uluk`r%$Yv@v_9JZ7^GP@QbSoW=u6$p zIy*^=QGDY_e()$4i12UPq(vO$QpPwuQV9rq<{leFUM#tc7f15OeYCchwJlY#5Po}^ zCig+CE5h~ZWh*w8 z1(nu#IrDB~k{};@T>9?Mq84RDEjHN@;gq#TY98HGdMJEo4cJl3n)@n9OE(9RH3O<6N&arIu zy)8Ogb;KG&_OqsTG;51=j}kqN_@>{sNO||%_$F6I$aKVFOsYjsTS^4e#r<5vOTsAq zgf@-}Mk5v}ku0MS(6xw=qlSbUiyB#Uw#K3y9Qvz8IXJ`s4h{jBE`G+VN!BaliSRk$ zZ{Q+qi-AO1^f${Gdh=_9VEAOqvz9vRpN4NHuD29<5VP^(E=%*ktE+0b`?bI;vOSIS zN{80LMc1vxZRZkx#7zk=o$lun`RL?IM}J5%Ww#~6Xi$C99m>fEaS66|N_goWOK-71 zKc*&Zl;`fTJk;yP>LVP-OOZ1#TJn-9_a%ctu1&ONHVY^exAbZj+J|+Voy$NN;a_`M zSybi`1~e4a8=#i%1`vJs(v^F~&a|tywKtD`kMBa(XDwaik$tRpM*gXy47XUfJ8@8M z&sb|SMd7Kpa(+UIQ?BFZCs>>^*>Pe5vRsS770+UqxLHcaD3%vkGgw@oLFmg5g>(n|+(_g*WF@S5wIAk2-NQ|U{Wp=|$ zyEj{#9Xb>69GgY`H{k#pMj&k~B)aq^jJ<3tBr?zrMp!yH42$135Drt?Hb{f0_HEWN zq|MhRiFvrEs?X~WAz=n?;wl;S*;_GTat8(^jqof=q z!J$m3=Bc2`M};wAN_?e(P8>zJ;LE!RuSnW<8&8r+9tG<2+FvDPD|{-KjR5B4NjFl_P1FHe2Ia;CK|CrYLda z26Z=6bKPc*P3`!^=5gbc`y>KR8`5pb#wF^0VkXznM%-<#$I7%I!`6$%!78ESCo^pE ze{%G6pj>d5ZJ!6{yt>S>wHUT(9yREb9a)_2;YSujEk4YTEavsVHV?C1Lo@ETWf%+E zazXFq@_2EJunmhOwtvgBEt3% z16#>)9-xYDJ8!#Nn>3&oUxRUE&M7yYw?)R^r2P@o?Dxt`J$7FYp+JhLr$1sZl1HH)(j3+BNNM)>1tsn8}>?DQ#I8I#E3?b7;D4%*6;m`Yz+TkqJTj_ss z(_1o>5_0VEG`qo`Bqpih#rxz#4fc&UQ`DN@?Dw}v?6V`rfg!`W+E_>PArro5;ounv zQM!!*JFQ?qLx&jHNDd!B9^J-36Rq$$uAd!ll4ILB*8PbiA1cT9apdFard)ojW3Or^ z>;x6ULlqCs&QM_#lrvn)0jkukRs-9J^w9SwI}RXXq}YjeJSHt4;Xt&tdSGgcq6}l8 z3peu@X>GN`C-)fXFx>PsI6t`i)J#Wi$7^0nIITp&%kWb;5zc0U^2q_8-0>;L;iQ|4 zx)Nbu@V+CzA5L=axa2@c`zT7g0yv#^Fi;?;T@7jY>B$jZ(WCAo*n$41Ux@Gu-lum& z;6V7(m+`-k(gc9%w19z8w1WX05*H%Iuv0RMK=E==jIg`@bpLS49nsx~6MbF!M_`oC zQe$$28uMQ@05XhpaSN;)5D_nqa`Dq1_JI(lkh%lRp0SC%gjglNGE-px?69w0?fX5Ytdrh{YD|l7E{Y(NPc%Qrm?Q z-sB@mLsgasW-24aJjX zCQNc^NwTJBWY+tSp9EiMoW)+11&`+j|Fig_!M6AqeZDZFlf{TCY+GEWB`#~@WipmT z#3pP)_E0GnEm{h^@giPJB6^}d6Kcy-{;OzY$sPW}#y9AWl8DZpDWC@`-}2WZFWzk{ zuiqNGU7`gg5k5SsT2m6?kG+DX6v1}-kn3uFV>(`Kgo1IN&WdzV{g?<7Z9Ioq+{n@h zFT3(m?Jbc8ZPnB&Ikz<8yO$~ZjmQWCum9UKlwtO^)%uFZQF&MAID`S0`A?wgKxH8h z{rYx!6%&T$c5|l7ow_;wlAPP$`J?vEkw=BFa~91$ZCJTg)1V#tn?EHdsVlzinZe-nB6L)vH2S{BjDWINQj7 zPjTji!DBUMI!{MF(En=*mj!$uRq&d@^F*L`6qY{a8oI2xl z_4V9`Sn?u0@>|oKO^&Eo^{rYH-lB<`{+g@m1I^38Sw(JIJ>ThxYH)EnPAn?FA=oN1wog95*t$)4B}hqMn_Tjxr=5TANnh`A z`e^=L?%vdNhdYeScet(e)m?74+~$4fp(OEiCe8lL=@x&^tbXmhTfCA<37-RfDvQ>L zF1Pqn7VVS(8?)&A51?NL{Q_XbAR2KI@WDYe`y}AJLG;=ePIq+aATAYqaB?3c482+_ zA4KDhINh@Jn{$Fp7wJFSS4Rb|y7SM^`%dP0~Dt&V+`f`=Ns}l*Tq^ z&u+zj8Q(EzR{HT)?4h)yIeSej_CM(yV~0fB(u#eMVza^iLKW>`EB043oUuo!>@%&{ z=V<|B|E{uyS6gb$NUt(>sNYeo*c0d&V~0fR^LoqDOUN<=>>713$bPpa8;3?2`)ie* z-->;SW-)f1`WT`8M=eW7(`v@fP}!NS*lXwjW52Aj^IEa5&}GJsP}vW*Vn2}hR_tin!PwJO_W4%qg>&0d$P9hp6}0lKQMPG?zw_B>?t8 zmF;iEeu>f;`!1C|s1^GS+#Q4cuF5WG#Xd=^8T*7P+O7X?DO!wtAmDn=9_=%7I$NaK zsmRbG9dD$CIW9Nle}Z_Its`9)+I+XmBi;k@FIeN}8p-OwUf>xc?fez^dLyMX{0+5O z_k4ug#DC$G#Dk#x#pMxHM((G0^7iR1E<1Hk!4s~h4tnt(7?s?LwwC^gt&u;+WfwIj zI?pK6Q$++k;NnF%PG%QMdS*S|F$v$Q^>164sVji`bxCfeUN_3bND5cnO=vRfA_iLq@*33o4XppJ!>^h7D z>lUs0T!&9~K=tBwL^UztcB^%*dI%ggDB>|QEjx&Joo5mL^pKZTqA2wOuS~pxf=tN< zNm0LOlX&)MiMQQO;`!qx-uV8XLyhlWgffPuUJD4!u*5qN7X=w8rT`R0h0}SZmO0XO zQ*EG1lf$EoFy)WN3rfX2mZ;TVV!>ES-!?=eCW&c-Hr($uM6emwfE2Rk4XS)^a``B? z0G9Uit?2MSAqErY5En;00wL~$_EfZqOH11yhK45J=5j=-y9w69v1Tnu7OnxOMbQ9t zABIOVN(=1~!^K+21Y{k~eIL))m0=izylfbz0b;`}%%lSoF^~^hxCt#mmCU4`MyS}G z5J@G!WZ?>Y$HFb{BQ@J+D*u>;_kdR(eX*Iq$D0YPw{pXDSotm=w*ra*_ptKT`&xN3 zBUOBy3TIns=V`BpUY!h4E7eL!tz<3mFo?X~O5?PEud9`wQsE`F5}l1kjC6TuMuuqS zZo+4yoi>!f_t*{&M`vxk^+7gTGaVT(Pr;P9Q{65xU)6j{j8ijDvT=P*$7kH2II6+1 z7VGL}b7vhIVcu#dzC6dgRXw0GS?wGm!cno!7!@DRp>P)sp9YyGaBv?jVAul+5a+37 z7OQ0{>||vIq@w%5X6{c#Ppj}-UW&F(g54U%x-5c&i(qol`Kjpe*m8qe@dx4vm6OLI z#arPi_Kk%XDs*shA60Xdsc@N^^Wk*F+)ST=oG+=IO&sC@+1MEvzWplsunJG9@H+=3 z+z%nrjyhE#bP-&<4iSoqqkF5H4K@uJdH?!w7@ext$LeM&M)gS}oV@?zn(;Eh#@Bc$i-v9Yd-v4Ku+~clM+j$A~6rz7`a-5bnU|Bdj4IOuK&-yVS6iER;-26VQ z7vfh=?qR+~QRYv6L?_rf_B*NuPWe6Uh!C5CDqOtHwk}$TNd{Cg@+1|eb4b(w1=EXX zO{$EEDx9mrM^yN@3ab&dIq7Qg5>LQ5RqyVu{M{9~$-&E)e=XkOT^Yt7rRpBKS`V9(QURvy`a^rDU z>{8diqfWE-@XKr_A-fm+kSvvG@<-}e>0*y&XH{ZL?4#8nMtz~~E7R25OjZR8T*n%R z%uzq%K`;CH)Eg$oW>pqak7cN`h=wdfl{HieEb5}FxLwUMv$~$A9mo~M4&tz1K{KDg z>cV5T<*4gT>bu<4Gitk<>(f@bQfUEliTHTgGs|5=F&B;jjoPht^*}SNvnEH7r3y{v zDNlzH(cjFdS(CTWtSU6=r}8Q^nHmlfe%+gyHp{h?4zOIK>FX-jONbM%T!9u>sdDX5 zUuK3BRzy2iK&?yY9Lp7YAlO$8X9(rmK(Q;4Yc~yFiCk_~>P@Y370`l}kiJZPmYLiv zM4HLfK*vy8gyJr&bR|T^tIx7Fw#w$Cv}%Z-B9E?ijgLe?$>w#g5)u9A`-tI^&8hAJ>@R|!Bc*V0@_Ir#RJv?nG=5-fd zc~IZiT^aOcTMSE5cQd|h*TZ9{Rg6_fo59j<3>WBKYg9)nco3ff_HD$YLe#zy93Ng+ zW!S)3wbA9JKAT)F+PBfwT{|j7kJ$wJTZ|sq1bS(RzKYTNyutD_`o<95*8^W0^?@#2 zq`q&Ug+q)J!CH93C$*g0PY zZ6g)S$Zl`Lvv=cT*T7hX^b1(p%r-)^@Ui@@;GCu6tteEW7HUtMj)tTEU}={i_xF9Z zu`~*wHlmnq(4l59_1or3H`c1zV|W{dEcmH*o6DuGV`YZg)iMnz1FQRG8(KKgvPk~h z7}$)lQF{7ms6C1|u?jSNXL0k}u8c5m40=I}mYZGt+ixS;hnZvEL54c&`wo+sWx&tR zMOXzEUU`Kyb%=e9v4LfWrdaliEm`^7!NRC)2Wxt4sFWin3}2z$4zpNCzksDZ9E*qw zGY%r;?|`^PJMnko1MC}D0o5kP3G}ZloS$uASSBzfH17oa=ywdu`qoZn&pTnaffmeF zV8U)U??eluzLJ0%oj<RSM+;{P{V3yphn`0E@I+C4XAEOQovW{qsJsKLe8x&8ok^Z^3~%1H(&r4JaWp_~B#>*Nmxcrpa>;s`RO zcos5IQ#`|Xghx{fVlVNk|N0;#rg|_4?bJai1crKosi+{HK41WyN(0EF90mduO!M3$ z_G52Zd&-gNo~>X0i4tWfasN5IZoX`eg6^tlhb5|nM#f+VJlGnw4U_Y-HL3(IVu1|+ z?wbKD7yU1k6=Q4RonV$gvqYH3FVuqH}#0xPA)eBj&z>@1~u0Uo9u4B(T7Q2;fxBMMnI$_t{SG6V>-qfL~mHGfQ$SN!!$ z{(73dBBzb12%4N86Xg;wen|^sqSDdOju?~+&}9Z{C@mIXA1z=Yk9NdHjR}3PQS=p7 zrw?<>1#wa77H!Ue{qovwQJLLttVS7MPd(KiuklYVgN&$fLKPsw46CBlFv)!@qF7w) u$rWhmFtuA51z(^BLF04l?8D4URw73&tpy81aFPKZwW|ggMH8x{I{zOr0f3VL diff --git a/plugins/LINUXAMD64/molfile/pdbxplugin.so b/plugins/LINUXAMD64/molfile/pdbxplugin.so index f3dbf5ee3535e276714417e4beca6def1f5ba871..c53ef590175f510accc6341a05172d6ceb5cc5ef 100755 GIT binary patch delta 8578 zcmZWv3tUuH{=av4G$C>UdHDjAYht3zC@3fhgM;3&(J)QPG(ePWqhwbmEzQB0+j@6C zQ{=JD?X8<_R{wSj|3+p8_`t0GS*e+C&9ys{>E=ImE1UiP?zyAv?tHr5^Lw1%`JLbM zoJ*_sTUzj6wpj7hu*ES$$^_##r0netV=PHW#$5S$Mn&)Ut!YnP*;o0J|APg>%GU2J zXClOl?DOcqjqa3gJ9~JcWA3~w-lsYNH8J4V{H)q+1J1kFs7mSeQIjjVVzbp|1>`TuAE;#+y zP^ivp2yki}>!IP)+B3HWiWVpx-$v@E{()&)c|ll%q8Nwt^sb^T>FIVy<}S&XgxN~K zDOWgG*UP!(_RGd*9f8RqcVL^bdv{>L&Pu}+H*-^D8UWTI)_4Pm@^UCm%4i}t_?>dL z+g~qR-GRAsQI}ILA}lPC&Ufnadtk@Iu#>BKmsKzRB@~)k_?<^r{N)Aq%Wf^Cyl2IP zSUgj-Sex#qU4W+eSIF`9%RfkS+Aoz!2~L|;w;Lq3(4OeE#p)?N7&Ch^#_K;{49mEa z97Hk<<8nbs`fW57DyD@^GU0JOmq1Vh#f4ziGp~bNCId_`z!Unz{|s{_64y@@9JR~}dFmI9{gn)VFD0SPoeiKa{OR05_}6~ zjh|sDS}{c*WY7nM~@IIS?B26#S1JkFGpO)O7aFyb!*>VQr>v4iPq6BV5lI7 z;%^lM6SYFF4kJhQKrRX+NA*B9uuXZjVkzsLpJzGZWc?jBwj^K1qU-X9c&9o@(II!> zi%t;E*nRjDOCZFT^%B`Ix8Sy6Er686w z1tFRwjTq0$#{6DvWqZdkZ^n061zBCWl>*nTU2$lWs`Y=K3x!<%rSV%)6a-gb(BX3U+ON$3VMlo9f2k@`11D9bpd_tqG! zaEa(veJu-)ohVkY5e0o?9|x}@ZSSK52KHii6y%7*$2YLE6@bCvLC>b+lrxM5?k}n7!QrIHO?B61Aow5_T7Ye$-BW0Ab6Ghn(ZtXOSDYhjy z1go!-31`ZSg0sv~HM_ld7{c-4;&kyGTUTt0SG04%eOE#u)0Yd`q2ejxOqMmF)pB+M zJ2YY7z?+K6cJYyqU2;eXla>W1AjOe@ZFXdjpCy)5^zC;h6mn>fH$k!B`JWByQlbuK z%S(o)zy1vrd=hA6$S=f_g5?wxK^x5e0&6cR$x>0We~@ndv`)(1BR#ebJ9KKt6#q8) z5cnqs@??ED8(iv#(cUT@ki8Y<1KfK!_eQWFL=;NElO%p93<7iVfQU@R%7!H4D+Wfa7;RJ_cOZWyM!J_zl6-Sv_&WB+ z#8^>fZ4(EIW7)xp`Q9AxAl_aluC{xBx7gEARpC?$BP8E5#J_6%eG4StQ4E!~#)lgg zRxNq>0fTxolvCR3YvwPkud1mxP{VMrD3`WulYa~La$iXDS-`Yvd`*30mE_Y=gu@eR z7aJ4AXkiv`wTmBUsJd@~VBp^ADR+s1N=C_1+G?i|E;KvkSWz#9hAyoucoBgf?!isVEjZZq zB z<7r$}1+yDYNQZNkwuv>rYkaV38F$qSmJIwt6F->a)wD>KGp!A9V1wn`hPG7<}nh-aRjEVg)u4jSo`FDbsNc}IN>Ce`p!$fQGl9O$b$sQ z_X>n#n2F&Gj_reCJ|CuFn97H#80wri5yQQF*iUHeh1va~$fLlpN@Xot%z5QC?`yn{ zHVubQ`hU%R!Z-2+D2^tcLzp)eN~0VRyhjBvczm4dAG9LOlyq-Kyo0q*^Qrantf>m`C;k9lS>8xIpnVTBR>BKLQ5Y z2#SHE{s1b{Bo-6D#W466YzIWD0g`$gTQP}WVi^1t95;wJW`0RCPvIZLKre2H{$lX> zPhJB<#|D_DpBVgN5_+@c`9 z^c4lMXEbU3$PJaO^f*xmz`5!JO7GmN^OfFyL zS40b~^27}?ZfHUR(4_A~nD2iObl5=-b-cHEs>^^4*!p^I75Km^Rz18APO zav9=amG5zJ(rJ0>kIMDxOV|&=O4!5pcIy1AM;N!^B=a^r0^UVmST};j=B9ZYs6g0{ z;DFnNd{DIA#ywB}dO!KcCpS?KqZ@Iz?ZySD=VCaf9Bsm06to0=G+$Wqtwr*46}7o? zfde<40^0ahzq3)#Q1O)lBQ-P373lCUO~VC$Ls- z>Px=jYe0JlP^9wCU=T$k>|X)q9>f=X|3h3jdzWo^3kMJ{En8EDz17REL^~rem z3;;dPT<5dyXV|m1-!jYmDiEGd@<(#{zFY8yj|*_luZOzyjUboqMELkok8cS0d{BSg zpo)JqJ{r*1f#w}nJ&uKLPxJoxMJQz4edwl1Ua?=M*i^J#`eBgB#AcW%S{H?Frk+Un zK=0?K!<^D~_!2QBZAnUK?iA_dDfw2xSskaN0azs8Ow@tqs}Y`D@cQIc;Kkf3%$2r8 ziX!`CMc(8zz2$R5WZ&x|(Q%|Lc?r$CO_36bJZp-i;~j|{!9{`>B9B$Dgy}=G-Ew6) z>@nB4nNbudUtV<%YL}EwWgRZ!UF5#l?wS@>J$=5{JQkB{PwX>XE2(Brs>*_UrvM4} z_Cg7Vdpk}i2HOyz;eyd|HZhnD*M(u1-z}HAVEZ(sc9&DDmn+@c3b}$Zljl52woK)<7e$Il)(q zwtHU1+L`6rHLPgpYi+)UTkS$v89SZp!p+o%WGN4niw=B*q$(ipQPyb#9t(rSk}d9O z?ht{-6sH#XSa68pB`1`{iq>EXuPT6h28?YQ^4kc)iybFpwcWvLWO2_Rjh|-HJ3CIt z20L+ffKEk)Sj3Y;A?6UdMyM?>wFl2#r4TN@e-Pp(<^NDojv^(E&vwDPjow;(C=;Zg zKQ%&X8@TnzT=22=?mV_|=GYhkfKjJTw7xpiC0gDc#Qt$-AFuV38xckYpe5aKQh|1? z2p6Ia@CcQV!$=9-FtR*DgP&p8qhJufS#PdcIrEQrhrjwz!OzDMlo$J;|8%fZ+g$%K zwva4kL^WXrfi=t;B<^QxW)1bmp_r*R8W&EPYcOSjN5_a^G~aU^qqP_<^X$jyX^g5o zdolVWMh|(~F?t508qXGt)?rldc@v{QVRWBo14hqcw7|0tqvs61Cop;*qehRfX`5Gm z0mFro`VcY?gcku-N$MgFy#(lYk~)V&F9Ui&Qr#R{4`_*`PTQ%%Pmj4SNh&jih*8q)_)T4mtLcIwfzjf*F!kp-L zxHY2HH5RdpvvE$?%N?$MMS&M6UOj-D{?JD_aJnGFIB4h3&p_PbR$0SEP&sbFiH^GV zMzrKROmbNdGQL6*`EigPCONAI8E00I$4F`|_5_|0CXdjA2S+dPNNOo(>1(na+sisC z2YM5MMO#5eAy({19NJ5in)rIDM`BZWyR^yK`c-U%8m`slF9E`)PX?lA;LRomYR&1? zK+WK$uzm|MT$F_`?K=_N^rd~LLSdoN?D+Z>a(FBjey}dDtuj7~j-eU<3m2 z2?=ws9RjSV7St+NP*A&3bntZ$wGQ8W`_{F%s6C!WLb#|s{)#T=Dm>x|Qq{5nmu!*X^2xPw_F5dIh#d`Knag9nwoXY2+yUJ-JWvy~qpIM>q!P z10W+90K%*#2==EC&kd4V2?2nNw3pN=95Pa0Qi}-kn)xrOBRSEi0g{@@A)^jRY9fb> zS|F*B95U*Gq+X^Qs96&vRp*dV7bNvChm6`Fsh@Djs1K65-GHvwh`({7StB-Z$gB}- zIb_y|$2nxyh-DlyYs7CjWY&ne95QRfG!B_HqLf2kvqp^Kpjjhi4w*F~1yFFmd9c7i z;x+8w<)4l7Lsgm^e;cdD8G`y5{Z*lbK09eMWyPiKr_)1)TWgdTb;l}ZTh4>?T!EaO z_=xEAdm_v34CMVt0dAflF7FKYWiO5pyV1nbdbZ`Q6n62hh^6uRC!F&&r*=uHrN#YF z#5h5?{f+GWybSLGG;j?IHR1@<$BYbD?NmYiNb+r_oC@T8jPx%jHF|3Cy*}%|v?%&7 zEv$wXIi?mk8q6)%enf&+lOk!Pga4kfMLl%Wb^(cx*L2G;wF$GzN^m`F++uWeGtt`1 z*su4bSG-(iHg>b|?|~cKwcofp&RBwPko*;W(xPD5#od&&Eu&}$IzBAzGkJc{Q*Jon(4iDwd? zJUqAJ$;6X_=Vm;=z-Jfme2eD`JneXx!;;kc@*``b?r3@k-ay5?h<7FmbxSMmXLvV( zYc1XFH1?8}I7Vt&cbDwTPW;dUNie z)iH4e&N!PRF1su)vn(#HEH1t*&RW(B-|~f6tlGlXH;)zfu&%F&br9?C zvqzozAQYO-ru$}#I@{zM9-RYgeSQmOr#b zSkmUVPI=<8rC;7i+X%a7zURS4kA3B+Q6p`6!!qsmkwC+S>8%Y<*~ElS?1X-sv6cn@ z8-b0zy(U$BnSHb-7k`WV=bEKn8?ujnv#EjNx6Q&iTihJ3;Vcw04x-{LP}74V|aPpDpRAX+c5z9MZY=IIF*3;r*MDbLi2_{**fe`AI4gqDQ4$3j*Lm0&n19&@T<`g;&4{;R3BEfNfxVF&88A@HCvB=N3m0z GhW-ooc8}cv delta 8393 zcmZu%3w#q*)}KiqR47cK1p?9sFhGGq8)$j8(56jgf&l>)P^xVybYU%0wOLWnv?Q}S z#;nDQio2|UAG)CXxoG(zB5HXS@rAC7LJ@iD#EPKoR(D17{m;Eqh<@AOZ0{f&AKRL;WNr2EWnFJ}N&N3-*UQh2v!y=JEqm50Z{0rpfs()Uz2mxX)^5II z#){^zZD-@;O!i@7-~RSW!JZ_G_a3}^Nj;?Es%Bf4Z-(V+p*8CAfs(XP8<{#J3p|Sc zFPkK3jr$%3cK&Uya@TFH+g%lVm5c_Gz%q0Cr#Q^IOVOwn4ytwC!E3lxJDZ*}NJ)Wk zuknp$eC{?Ds>$rZoRPAfy^wRiyPuLFy(!s=`EyrbpKNv^0eVY)kA_`pT~A3Gtc7lt ze8;s=z3R|H4@l;L@1oK6R3)R>l4$;m)#diSEfkqvefIir;X-Zqm+@xg+i3L4LPpsHC72BkE$mijmO0Oh4SbuM=Fj4LA`*h5;4lHrylPiUOiIED>+0tb@J+b>6>(=;_6pb1j4 zIX;Gz6-%<41Fn#6COeZvZgVj;)vP5t^zG#d?9c5qhoTROMx#5hXDO2YBb0_Q|B06w zy%>$w)Qna#f*`>!GKyKwm`S#j%j}LZS^kMrV0$-M+W%J5bV*77&y8BBA_<4`04$+} z5;fz5W&|9to_Ra>mDiKv$&x3`8wdn7Joy%|n#EVZBU1r7IrzEx^uIf~#t>J3LRYgS z$kRWnzgEi#b<@HtlHMe>%^BENYk+9vhM zU?K=_Lk|+G&4D%t*2Rk@B%mPrgP`R4v2~C9?lcz5yue_x6jCYu6eD2gtLeH~2 z8Sd|hH{)U`iv^|o&aPMi6Wxv^a~r#6LaAKGrcdaX{QOr~LwPer3#W}_cTdQce`f0^ zjP6sRxx?kXrJa~0xt8p`YsLYWW~^gpCJd7Ivc!qEb}v^QfuQ%^qPV zCg#bIn%(O(X|YB%X@1;XO$&7mt>cI4#+xJ= zs3z;w7K~Vr5=Z)UsO@|^GDB>?f#kk^5?dRMV>7>H*(I~Py^nPe+c>W`m{BrMeuted z8Q1p|Vv9$i*Jw4zV+s-PmY-vvmZr&bSx0HU-wPhN*dgND@teDs`RXcWy0wXMO7J1#Z!B1{Pzk<^p|+#` zzPd#f_uRLXQ~%9TwN(oi)mBv1a#X)KNh(ve?^5pqtt=Q-g5P1#SWs14U!eqBkaD#h zVnX#YKH+GBGzYlqWlQTSmMoMw?pbWQldb9=jylh0R$=8%F1-bUU9E|fNDjc3a^yTl zXdApn2exiL@OW82xs>%U8*KC0SW#JTe+H5i`V=jf($UFZv?|E)`Dft0G*PyUr9X`p z!P$mzCCd)>rA5X=FRNz=?3FtSN-*P>hjhVw<}-0fMrUX5jn;^S$(`l3VTBE?*9ajFmLMDSl-pnE zq$60DWaH@99LItOf;bNcGFPPdClqOgx{t;cNeh#4+Eqh|4Mf3hq$f7lwWr2S7Ds z2~?w?7zbK!;GeMYvjtv{#4-2OQh)c6Ru(j0xAszp{mPM-uoY~g9uA@C$1bB`Tak?I z9L5M1rs5vShIwF!z$h3Zy-gTGOuh?~c?8V`TC0YcYnqHbTELWDftA6^l=|;n#u~K} z3;FdnCFrA*-(IWsEDoMmg2{jyR;mLfUq2VTfLvYj^}s?mLRIH^bK5Z}vl3-d3BC^+ zhA9|s6~jIlJ}!oRF{~HEUKq|1!~PPQ+?DFJQhgV^2E<9eWHwJ*BVT0awaxyAMXEiF z76L2vJBnQNl-Q*%P>F=PPoO3V)TK{>nlDfnhVzLh2{l=uHVM>wgvt=8;Xs+Y2ysSO znZi!d8!!7i&3vygb5G%U1LeqSC}ssmP2-AqV$Va8Y*>+qtrbE_WC%bQ=}CMwm{lbE zSs-wN6#0tY9{{2x8S@kjBX3~=5Gmjly#vBI(XZ(37)OSRse+n#b?T3310&Y}h6{8P zx?L+rIs}3`0)$C_IdTpN6hS!MEyFs!D+h+7ND&S)2pk}9L=2Iy&W66oy3_oSi>^qD zYyutX-No&)11bscdkG`3Aoa3D^r` z#4xFsB1hf>0{q{?lWE`OSC>|ZKldd;KWEV=U#0gV`eQ;~3XKC8H?byfYRaeJLTYU- z#?d438T-uV*{j~{t}g>FbDlK^9%1LbMYbD8veDD~`ca{asP}G2gQIjkf(q%llGTiF zyvCPi8OejeiaT3fLfXMe$TnvSmH3Ad^f4c)=SA{g3v5j0r!TrXPpHV*hVJz!qD3$8wP&HY#4L#3<9GwMqoEd?=*pJ9*9boh0MuWIjMja~&8O&Jq9EYBFAheC zw;krkeLYeqP1*fLugC-#w=?Eslzi>srV6jvfr zy=t+?cu#}ZXzj@)PxDuo(NQe+glqRxV7Wt!;!DDL=SUcNl6=DaH&j4){R1wO;8qT4v*#;MNphOqh@Ftya)=gNIj49VDU_-iq@ zdOtaV#`Q!fLcMw98pWi2QhQI{l6knIN^ldTdBfRzp=;T%b^XSiAvE~ts;>4}U3ZeM znOs*@aQZi6Wk;ED4(oA!lL9~CbMrT_DK=W}3C+z#aF&J3WLM}R3NiVhw$>Q1%7Q@8 zk`D%U%RqwNZN#sNj1-|sn@@_Q0}wGD>s$wCSkAS_zx#A@FYZ2> zY#iV%D)cIxh{fuY;Uvl+ILXfUp{-jjcgb8uWU}=wkpZYMo%d>y{oBVKJ&MtvF>x9=pIF%CZJ~lp>-=1(Ek8}l+gm(1ZaVx zXA0;!K+6=pmw=uJbf==n6Xf5e{skb!bik#s{ANI-72O0xU$|QUiti$G1Oc7e%>NB3*XKgNHJw+(x(mmJ%-l$<&=5~y!uqE-rhN6}L zM2u0)-o!xt$p{#t)5*!bH^Fxc;lpQ9tofE<4TRJ@yd*ChcB{ibfusAA?)>^jn1#1Q zoI*FGpzy2kChUg*J1(G#A!a2PLpOSq>?Y7vEJcrpO5kavHxHG-1E_GGiEVWAy;9BM zWe|6PTi>QFtyCA~S{R6RP(fU45l|iXnr#QkwA~kKSeL3GotUycxhK+G%I7I)HP|tIh{guaPcOW3cTMZsk+mAnMbY)j|1jr^WzJ6RTn796 zMP+=1-7|lnZSz$2lA$sjtdY^2a2u5)veL)n z0s8%d~b<&RteS?ObtfUNY93Mg`d zcNe_5*oyt5x$u*3!WHKtdsH~Q2Ck~nO;CxWi~c71UNCM_HIH$Gnu(cIs28^(4L`Rci^%$P&>5~4o65NI@pjCM1zqbl~{+}ASR{oV5cCN+O`?$i?DU^#& zp^_AFkPg>Zj4zDQ&Dc+6e{rNQa+9S^C#$MOHp19Vv9Z-q%HFIU=+3zdWYPeGV#7u1ZJ+xDRRJ|TX2(!#yVTqx=-uc5KPA%DVu zY)NOIlA0y#ZG1up}l*)~Sb^#S4aR53e zpg)LtpK~ZbVJ1!$#G`_ET8McOkh2B9&x&@Mev8urUnhBti>Ohfi=SQ4gUxgtexV+t@kn?&VC4v&<9I&6(~9R6JR9&Zmo2q< z!~JU#W>>y~13^AKjCUr|ab0sXT8MWgxYpp^gbI5RZ|S{gbO6dy6F$W1@ZS1)GKaqKY29$iE+u1`I<_$|Uf#@(2Chxa z{#!J9p$8kS4`kN{oeBHih(>eRtl(UEE!z?tnRp!Ox~U7uBNGnKx2@!o6j!&KAc+)n zd=QQHW25vO+gKZG4D?o}(iIa*kMuRDCy%mK`ZTBeSTvd>1Bbsr=h1s9Cch#x{22)2opBN_(WzH?*<#}w$mLj=< NZNa}ISY*qv{{xwOOrQV& diff --git a/src/read_mmcif.c b/src/read_mmcif.c index 34da4b7..0cb3292 100644 --- a/src/read_mmcif.c +++ b/src/read_mmcif.c @@ -84,7 +84,6 @@ s_pdb *open_mmcif(char *fpath, const char *ligan, const int keep_lig, int model_ if (at_in[i].modelnumber == model_number && !strncmp(at_in[i].atom_type, "ATOM", 4) && !is_ligand(par->chain_as_ligand, at_in[i].chain[0])) { if (at_in[i].altloc[0] == ' ' || at_in[i].altloc[0] == 'A' || at_in[i].altloc[0] == '?') - { if (chains_to_delete(par->chain_delete, at_in[i].chain[0], par->chain_is_kept)) { From 87cea6b1cead8252a6cf415c692cbef607222621 Mon Sep 17 00:00:00 2001 From: pschmidtke Date: Fri, 15 Dec 2023 10:12:07 +0100 Subject: [PATCH 3/3] issue-119 adding sample cif --- data/sample/4gfo.cif | 7412 +++++++++++++++++++++++++++++ data/sample/4gfo_customized.cif | 7824 +++++++++++++++++++++++++++++++ 2 files changed, 15236 insertions(+) create mode 100644 data/sample/4gfo.cif create mode 100644 data/sample/4gfo_customized.cif diff --git a/data/sample/4gfo.cif b/data/sample/4gfo.cif new file mode 100644 index 0000000..b4a3c2b --- /dev/null +++ b/data/sample/4gfo.cif @@ -0,0 +1,7412 @@ +data_4GFO +# +_entry.id 4GFO +# +_audit_conform.dict_name mmcif_pdbx.dic +_audit_conform.dict_version 5.379 +_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic +# +loop_ +_database_2.database_id +_database_2.database_code +_database_2.pdbx_database_accession +_database_2.pdbx_DOI +PDB 4GFO pdb_00004gfo 10.2210/pdb4gfo/pdb +RCSB RCSB074123 ? ? +WWPDB D_1000074123 ? ? +# +loop_ +_pdbx_database_related.db_name +_pdbx_database_related.db_id +_pdbx_database_related.details +_pdbx_database_related.content_type +PDB 4GFM . unspecified +PDB 4GIH . unspecified +PDB 4GMY . unspecified +# +_pdbx_database_status.status_code REL +_pdbx_database_status.entry_id 4GFO +_pdbx_database_status.recvd_initial_deposition_date 2012-08-03 +_pdbx_database_status.deposit_site RCSB +_pdbx_database_status.process_site RCSB +_pdbx_database_status.status_code_sf REL +_pdbx_database_status.status_code_mr ? +_pdbx_database_status.SG_entry ? +_pdbx_database_status.status_code_cs ? +_pdbx_database_status.methods_development_category ? +_pdbx_database_status.pdb_format_compatible Y +_pdbx_database_status.status_code_nmr_data ? +# +loop_ +_audit_author.name +_audit_author.pdbx_ordinal +'Eigenbrot, C.' 1 +'Ultsch, M.' 2 +# +_citation.id primary +_citation.title 'Lead identification of novel and selective TYK2 inhibitors.' +_citation.journal_abbrev Eur.J.Med.Chem. +_citation.journal_volume 67 +_citation.page_first 175 +_citation.page_last 187 +_citation.year 2013 +_citation.journal_id_ASTM EJMCA5 +_citation.country FR +_citation.journal_id_ISSN 0223-5234 +_citation.journal_id_CSD 0493 +_citation.book_publisher ? +_citation.pdbx_database_id_PubMed 23867602 +_citation.pdbx_database_id_DOI 10.1016/j.ejmech.2013.03.070 +# +loop_ +_citation_author.citation_id +_citation_author.name +_citation_author.ordinal +_citation_author.identifier_ORCID +primary 'Liang, J.' 1 ? +primary 'Tsui, V.' 2 ? +primary 'Van Abbema, A.' 3 ? +primary 'Bao, L.' 4 ? +primary 'Barrett, K.' 5 ? +primary 'Beresini, M.' 6 ? +primary 'Berezhkovskiy, L.' 7 ? +primary 'Blair, W.S.' 8 ? +primary 'Chang, C.' 9 ? +primary 'Driscoll, J.' 10 ? +primary 'Eigenbrot, C.' 11 ? +primary 'Ghilardi, N.' 12 ? +primary 'Gibbons, P.' 13 ? +primary 'Halladay, J.' 14 ? +primary 'Johnson, A.' 15 ? +primary 'Kohli, P.B.' 16 ? +primary 'Lai, Y.' 17 ? +primary 'Liimatta, M.' 18 ? +primary 'Mantik, P.' 19 ? +primary 'Menghrajani, K.' 20 ? +primary 'Murray, J.' 21 ? +primary 'Sambrone, A.' 22 ? +primary 'Xiao, Y.' 23 ? +primary 'Shia, S.' 24 ? +primary 'Shin, Y.' 25 ? +primary 'Smith, J.' 26 ? +primary 'Sohn, S.' 27 ? +primary 'Stanley, M.' 28 ? +primary 'Ultsch, M.' 29 ? +primary 'Zhang, B.' 30 ? +primary 'Wu, L.C.' 31 ? +primary 'Magnuson, S.' 32 ? +# +_cell.entry_id 4GFO +_cell.length_a 49.361 +_cell.length_b 49.361 +_cell.length_c 420.686 +_cell.angle_alpha 90.00 +_cell.angle_beta 90.00 +_cell.angle_gamma 120.00 +_cell.Z_PDB 12 +_cell.pdbx_unique_axis ? +_cell.length_a_esd ? +_cell.length_b_esd ? +_cell.length_c_esd ? +_cell.angle_alpha_esd ? +_cell.angle_beta_esd ? +_cell.angle_gamma_esd ? +# +_symmetry.entry_id 4GFO +_symmetry.space_group_name_H-M 'P 65 2 2' +_symmetry.pdbx_full_space_group_name_H-M ? +_symmetry.cell_setting ? +_symmetry.Int_Tables_number 179 +_symmetry.space_group_name_Hall ? +# +loop_ +_entity.id +_entity.type +_entity.src_method +_entity.pdbx_description +_entity.formula_weight +_entity.pdbx_number_of_molecules +_entity.pdbx_ec +_entity.pdbx_mutation +_entity.pdbx_fragment +_entity.details +1 polymer man 'Non-receptor tyrosine-protein kinase TYK2' 35002.059 1 2.7.10.2 D1023N +'JH1 domain, UNP residues 884-1176' ? +2 non-polymer syn 'SULFATE ION' 96.063 2 ? ? ? ? +3 non-polymer syn 1,2-ETHANEDIOL 62.068 2 ? ? ? ? +4 non-polymer syn GLYCEROL 92.094 1 ? ? ? ? +5 non-polymer syn '2,6-dichloro-N-(2-oxo-2,5-dihydropyridin-4-yl)benzamide' 283.110 1 ? ? ? ? +6 water nat water 18.015 78 ? ? ? ? +# +_entity_poly.entity_id 1 +_entity_poly.type 'polypeptide(L)' +_entity_poly.nstd_linkage no +_entity_poly.nstd_monomer no +_entity_poly.pdbx_seq_one_letter_code +;MGSPASDPTVFHKRYLKKIRDLGEGHFGKVSLYCYDPTNDGTGEMVAVKALKADCGPQHRSGWKQEIDILRTLYHEHIIK +YKGCCEDQGEKSLQLVMEYVPLGSLRDYLPRHSIGLAQLLLFAQQICEGMAYLHSQHYIHRNLAARNVLLDNDRLVKIGD +FGLAKAVPEGHEYYRVREDGDSPVFWYAPECLKEYKFYYASDVWSFGVTLYELLTHCDSSQSPPTKFLELIGIAQGQMTV +LRLTELLERGERLPRPDKCPCEVYHLMKNCWETEASFRPTFENLIPILKTVHEKYRHHHHHH +; +_entity_poly.pdbx_seq_one_letter_code_can +;MGSPASDPTVFHKRYLKKIRDLGEGHFGKVSLYCYDPTNDGTGEMVAVKALKADCGPQHRSGWKQEIDILRTLYHEHIIK +YKGCCEDQGEKSLQLVMEYVPLGSLRDYLPRHSIGLAQLLLFAQQICEGMAYLHSQHYIHRNLAARNVLLDNDRLVKIGD +FGLAKAVPEGHEYYRVREDGDSPVFWYAPECLKEYKFYYASDVWSFGVTLYELLTHCDSSQSPPTKFLELIGIAQGQMTV +LRLTELLERGERLPRPDKCPCEVYHLMKNCWETEASFRPTFENLIPILKTVHEKYRHHHHHH +; +_entity_poly.pdbx_strand_id A +_entity_poly.pdbx_target_identifier ? +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.num +_entity_poly_seq.mon_id +_entity_poly_seq.hetero +1 1 MET n +1 2 GLY n +1 3 SER n +1 4 PRO n +1 5 ALA n +1 6 SER n +1 7 ASP n +1 8 PRO n +1 9 THR n +1 10 VAL n +1 11 PHE n +1 12 HIS n +1 13 LYS n +1 14 ARG n +1 15 TYR n +1 16 LEU n +1 17 LYS n +1 18 LYS n +1 19 ILE n +1 20 ARG n +1 21 ASP n +1 22 LEU n +1 23 GLY n +1 24 GLU n +1 25 GLY n +1 26 HIS n +1 27 PHE n +1 28 GLY n +1 29 LYS n +1 30 VAL n +1 31 SER n +1 32 LEU n +1 33 TYR n +1 34 CYS n +1 35 TYR n +1 36 ASP n +1 37 PRO n +1 38 THR n +1 39 ASN n +1 40 ASP n +1 41 GLY n +1 42 THR n +1 43 GLY n +1 44 GLU n +1 45 MET n +1 46 VAL n +1 47 ALA n +1 48 VAL n +1 49 LYS n +1 50 ALA n +1 51 LEU n +1 52 LYS n +1 53 ALA n +1 54 ASP n +1 55 CYS n +1 56 GLY n +1 57 PRO n +1 58 GLN n +1 59 HIS n +1 60 ARG n +1 61 SER n +1 62 GLY n +1 63 TRP n +1 64 LYS n +1 65 GLN n +1 66 GLU n +1 67 ILE n +1 68 ASP n +1 69 ILE n +1 70 LEU n +1 71 ARG n +1 72 THR n +1 73 LEU n +1 74 TYR n +1 75 HIS n +1 76 GLU n +1 77 HIS n +1 78 ILE n +1 79 ILE n +1 80 LYS n +1 81 TYR n +1 82 LYS n +1 83 GLY n +1 84 CYS n +1 85 CYS n +1 86 GLU n +1 87 ASP n +1 88 GLN n +1 89 GLY n +1 90 GLU n +1 91 LYS n +1 92 SER n +1 93 LEU n +1 94 GLN n +1 95 LEU n +1 96 VAL n +1 97 MET n +1 98 GLU n +1 99 TYR n +1 100 VAL n +1 101 PRO n +1 102 LEU n +1 103 GLY n +1 104 SER n +1 105 LEU n +1 106 ARG n +1 107 ASP n +1 108 TYR n +1 109 LEU n +1 110 PRO n +1 111 ARG n +1 112 HIS n +1 113 SER n +1 114 ILE n +1 115 GLY n +1 116 LEU n +1 117 ALA n +1 118 GLN n +1 119 LEU n +1 120 LEU n +1 121 LEU n +1 122 PHE n +1 123 ALA n +1 124 GLN n +1 125 GLN n +1 126 ILE n +1 127 CYS n +1 128 GLU n +1 129 GLY n +1 130 MET n +1 131 ALA n +1 132 TYR n +1 133 LEU n +1 134 HIS n +1 135 SER n +1 136 GLN n +1 137 HIS n +1 138 TYR n +1 139 ILE n +1 140 HIS n +1 141 ARG n +1 142 ASN n +1 143 LEU n +1 144 ALA n +1 145 ALA n +1 146 ARG n +1 147 ASN n +1 148 VAL n +1 149 LEU n +1 150 LEU n +1 151 ASP n +1 152 ASN n +1 153 ASP n +1 154 ARG n +1 155 LEU n +1 156 VAL n +1 157 LYS n +1 158 ILE n +1 159 GLY n +1 160 ASP n +1 161 PHE n +1 162 GLY n +1 163 LEU n +1 164 ALA n +1 165 LYS n +1 166 ALA n +1 167 VAL n +1 168 PRO n +1 169 GLU n +1 170 GLY n +1 171 HIS n +1 172 GLU n +1 173 TYR n +1 174 TYR n +1 175 ARG n +1 176 VAL n +1 177 ARG n +1 178 GLU n +1 179 ASP n +1 180 GLY n +1 181 ASP n +1 182 SER n +1 183 PRO n +1 184 VAL n +1 185 PHE n +1 186 TRP n +1 187 TYR n +1 188 ALA n +1 189 PRO n +1 190 GLU n +1 191 CYS n +1 192 LEU n +1 193 LYS n +1 194 GLU n +1 195 TYR n +1 196 LYS n +1 197 PHE n +1 198 TYR n +1 199 TYR n +1 200 ALA n +1 201 SER n +1 202 ASP n +1 203 VAL n +1 204 TRP n +1 205 SER n +1 206 PHE n +1 207 GLY n +1 208 VAL n +1 209 THR n +1 210 LEU n +1 211 TYR n +1 212 GLU n +1 213 LEU n +1 214 LEU n +1 215 THR n +1 216 HIS n +1 217 CYS n +1 218 ASP n +1 219 SER n +1 220 SER n +1 221 GLN n +1 222 SER n +1 223 PRO n +1 224 PRO n +1 225 THR n +1 226 LYS n +1 227 PHE n +1 228 LEU n +1 229 GLU n +1 230 LEU n +1 231 ILE n +1 232 GLY n +1 233 ILE n +1 234 ALA n +1 235 GLN n +1 236 GLY n +1 237 GLN n +1 238 MET n +1 239 THR n +1 240 VAL n +1 241 LEU n +1 242 ARG n +1 243 LEU n +1 244 THR n +1 245 GLU n +1 246 LEU n +1 247 LEU n +1 248 GLU n +1 249 ARG n +1 250 GLY n +1 251 GLU n +1 252 ARG n +1 253 LEU n +1 254 PRO n +1 255 ARG n +1 256 PRO n +1 257 ASP n +1 258 LYS n +1 259 CYS n +1 260 PRO n +1 261 CYS n +1 262 GLU n +1 263 VAL n +1 264 TYR n +1 265 HIS n +1 266 LEU n +1 267 MET n +1 268 LYS n +1 269 ASN n +1 270 CYS n +1 271 TRP n +1 272 GLU n +1 273 THR n +1 274 GLU n +1 275 ALA n +1 276 SER n +1 277 PHE n +1 278 ARG n +1 279 PRO n +1 280 THR n +1 281 PHE n +1 282 GLU n +1 283 ASN n +1 284 LEU n +1 285 ILE n +1 286 PRO n +1 287 ILE n +1 288 LEU n +1 289 LYS n +1 290 THR n +1 291 VAL n +1 292 HIS n +1 293 GLU n +1 294 LYS n +1 295 TYR n +1 296 ARG n +1 297 HIS n +1 298 HIS n +1 299 HIS n +1 300 HIS n +1 301 HIS n +1 302 HIS n +# +_entity_src_gen.entity_id 1 +_entity_src_gen.pdbx_src_id 1 +_entity_src_gen.pdbx_alt_source_flag sample +_entity_src_gen.pdbx_seq_type ? +_entity_src_gen.pdbx_beg_seq_num ? +_entity_src_gen.pdbx_end_seq_num ? +_entity_src_gen.gene_src_common_name human +_entity_src_gen.gene_src_genus ? +_entity_src_gen.pdbx_gene_src_gene TYK2 +_entity_src_gen.gene_src_species ? +_entity_src_gen.gene_src_strain ? +_entity_src_gen.gene_src_tissue ? +_entity_src_gen.gene_src_tissue_fraction ? +_entity_src_gen.gene_src_details ? +_entity_src_gen.pdbx_gene_src_fragment ? +_entity_src_gen.pdbx_gene_src_scientific_name 'Homo sapiens' +_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 9606 +_entity_src_gen.pdbx_gene_src_variant ? +_entity_src_gen.pdbx_gene_src_cell_line ? +_entity_src_gen.pdbx_gene_src_atcc ? +_entity_src_gen.pdbx_gene_src_organ ? +_entity_src_gen.pdbx_gene_src_organelle ? +_entity_src_gen.pdbx_gene_src_cell ? +_entity_src_gen.pdbx_gene_src_cellular_location ? +_entity_src_gen.host_org_common_name 'fall armyworm' +_entity_src_gen.pdbx_host_org_scientific_name 'Spodoptera frugiperda' +_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 7108 +_entity_src_gen.host_org_genus ? +_entity_src_gen.pdbx_host_org_gene ? +_entity_src_gen.pdbx_host_org_organ ? +_entity_src_gen.host_org_species ? +_entity_src_gen.pdbx_host_org_tissue ? +_entity_src_gen.pdbx_host_org_tissue_fraction ? +_entity_src_gen.pdbx_host_org_strain ? +_entity_src_gen.pdbx_host_org_variant ? +_entity_src_gen.pdbx_host_org_cell_line ? +_entity_src_gen.pdbx_host_org_atcc ? +_entity_src_gen.pdbx_host_org_culture_collection ? +_entity_src_gen.pdbx_host_org_cell ? +_entity_src_gen.pdbx_host_org_organelle ? +_entity_src_gen.pdbx_host_org_cellular_location ? +_entity_src_gen.pdbx_host_org_vector_type ? +_entity_src_gen.pdbx_host_org_vector ? +_entity_src_gen.host_org_details ? +_entity_src_gen.expression_system_id ? +_entity_src_gen.plasmid_name ? +_entity_src_gen.plasmid_details ? +_entity_src_gen.pdbx_description ? +# +_struct_ref.id 1 +_struct_ref.db_name UNP +_struct_ref.db_code TYK2_HUMAN +_struct_ref.pdbx_db_accession P29597 +_struct_ref.entity_id 1 +_struct_ref.pdbx_seq_one_letter_code +;SPASDPTVFHKRYLKKIRDLGEGHFGKVSLYCYDPTNDGTGEMVAVKALKADCGPQHRSGWKQEIDILRTLYHEHIIKYK +GCCEDQGEKSLQLVMEYVPLGSLRDYLPRHSIGLAQLLLFAQQICEGMAYLHAQHYIHRDLAARNVLLDNDRLVKIGDFG +LAKAVPEGHEYYRVREDGDSPVFWYAPECLKEYKFYYASDVWSFGVTLYELLTHCDSSQSPPTKFLELIGIAQGQMTVLR +LTELLERGERLPRPDKCPCEVYHLMKNCWETEASFRPTFENLIPILKTVHEKY +; +_struct_ref.pdbx_align_begin 884 +_struct_ref.pdbx_db_isoform ? +# +_struct_ref_seq.align_id 1 +_struct_ref_seq.ref_id 1 +_struct_ref_seq.pdbx_PDB_id_code 4GFO +_struct_ref_seq.pdbx_strand_id A +_struct_ref_seq.seq_align_beg 3 +_struct_ref_seq.pdbx_seq_align_beg_ins_code ? +_struct_ref_seq.seq_align_end 295 +_struct_ref_seq.pdbx_seq_align_end_ins_code ? +_struct_ref_seq.pdbx_db_accession P29597 +_struct_ref_seq.db_align_beg 884 +_struct_ref_seq.pdbx_db_align_beg_ins_code ? +_struct_ref_seq.db_align_end 1176 +_struct_ref_seq.pdbx_db_align_end_ins_code ? +_struct_ref_seq.pdbx_auth_seq_align_beg 884 +_struct_ref_seq.pdbx_auth_seq_align_end 1176 +# +loop_ +_struct_ref_seq_dif.align_id +_struct_ref_seq_dif.pdbx_pdb_id_code +_struct_ref_seq_dif.mon_id +_struct_ref_seq_dif.pdbx_pdb_strand_id +_struct_ref_seq_dif.seq_num +_struct_ref_seq_dif.pdbx_pdb_ins_code +_struct_ref_seq_dif.pdbx_seq_db_name +_struct_ref_seq_dif.pdbx_seq_db_accession_code +_struct_ref_seq_dif.db_mon_id +_struct_ref_seq_dif.pdbx_seq_db_seq_num +_struct_ref_seq_dif.details +_struct_ref_seq_dif.pdbx_auth_seq_num +_struct_ref_seq_dif.pdbx_ordinal +1 4GFO MET A 1 ? UNP P29597 ? ? 'expression tag' 882 1 +1 4GFO GLY A 2 ? UNP P29597 ? ? 'expression tag' 883 2 +1 4GFO SER A 135 ? UNP P29597 ALA 1016 conflict 1016 3 +1 4GFO ASN A 142 ? UNP P29597 ASP 1023 'engineered mutation' 1023 4 +1 4GFO ARG A 296 ? UNP P29597 ? ? 'expression tag' 1177 5 +1 4GFO HIS A 297 ? UNP P29597 ? ? 'expression tag' 1178 6 +1 4GFO HIS A 298 ? UNP P29597 ? ? 'expression tag' 1179 7 +1 4GFO HIS A 299 ? UNP P29597 ? ? 'expression tag' 1180 8 +1 4GFO HIS A 300 ? UNP P29597 ? ? 'expression tag' 1181 9 +1 4GFO HIS A 301 ? UNP P29597 ? ? 'expression tag' 1182 10 +1 4GFO HIS A 302 ? UNP P29597 ? ? 'expression tag' 1183 11 +# +loop_ +_chem_comp.id +_chem_comp.type +_chem_comp.mon_nstd_flag +_chem_comp.name +_chem_comp.pdbx_synonyms +_chem_comp.formula +_chem_comp.formula_weight +0X2 non-polymer . '2,6-dichloro-N-(2-oxo-2,5-dihydropyridin-4-yl)benzamide' ? +'C12 H8 Cl2 N2 O2' 283.110 +ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' +89.093 +ARG 'L-peptide linking' y ARGININE ? +'C6 H15 N4 O2 1' 175.209 +ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' +132.118 +ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' +133.103 +CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' +121.158 +EDO non-polymer . 1,2-ETHANEDIOL 'ETHYLENE GLYCOL' 'C2 H6 O2' +62.068 +GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' +146.144 +GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' +147.129 +GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' +75.067 +GOL non-polymer . GLYCEROL 'GLYCERIN; PROPANE-1,2,3-TRIOL' 'C3 H8 O3' +92.094 +HIS 'L-peptide linking' y HISTIDINE ? +'C6 H10 N3 O2 1' 156.162 +HOH non-polymer . WATER ? 'H2 O' 18.015 +ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' +131.173 +LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' +131.173 +LYS 'L-peptide linking' y LYSINE ? +'C6 H15 N2 O2 1' 147.195 +MET 'L-peptide linking' y METHIONINE ? +'C5 H11 N O2 S' 149.211 +PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' +165.189 +PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' +115.130 +SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' +105.093 +SO4 non-polymer . 'SULFATE ION' ? 'O4 S -2' +96.063 +THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' +119.119 +TRP 'L-peptide linking' y TRYPTOPHAN ? +'C11 H12 N2 O2' 204.225 +TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' +181.189 +VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' +117.146 +# +_exptl.entry_id 4GFO +_exptl.method 'X-RAY DIFFRACTION' +_exptl.crystals_number 1 +# +_exptl_crystal.id 1 +_exptl_crystal.density_meas ? +_exptl_crystal.density_Matthews 2.11 +_exptl_crystal.density_percent_sol 41.80 +_exptl_crystal.description ? +_exptl_crystal.F_000 ? +_exptl_crystal.preparation ? +# +_exptl_crystal_grow.crystal_id 1 +_exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP' +_exptl_crystal_grow.temp 300 +_exptl_crystal_grow.temp_details ? +_exptl_crystal_grow.pH 5 +_exptl_crystal_grow.pdbx_pH_range ? +_exptl_crystal_grow.pdbx_details '2 M ammonium sulfate, pH 5, VAPOR DIFFUSION, SITTING DROP, temperature 300K' +# +_diffrn.id 1 +_diffrn.ambient_temp 100 +_diffrn.ambient_temp_details ? +_diffrn.crystal_id 1 +# +_diffrn_detector.diffrn_id 1 +_diffrn_detector.detector CCD +_diffrn_detector.type 'MARMOSAIC 325 mm CCD' +_diffrn_detector.pdbx_collection_date 2008-11-13 +_diffrn_detector.details ? +# +_diffrn_radiation.diffrn_id 1 +_diffrn_radiation.wavelength_id 1 +_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M +_diffrn_radiation.monochromator 'Si(111)' +_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' +_diffrn_radiation.pdbx_scattering_type x-ray +# +_diffrn_radiation_wavelength.id 1 +_diffrn_radiation_wavelength.wavelength 0.98 +_diffrn_radiation_wavelength.wt 1.0 +# +_diffrn_source.diffrn_id 1 +_diffrn_source.source SYNCHROTRON +_diffrn_source.type 'SSRL BEAMLINE BL9-2' +_diffrn_source.pdbx_synchrotron_site SSRL +_diffrn_source.pdbx_synchrotron_beamline BL9-2 +_diffrn_source.pdbx_wavelength ? +_diffrn_source.pdbx_wavelength_list 0.98 +# +_reflns.pdbx_diffrn_id 1 +_reflns.pdbx_ordinal 1 +_reflns.entry_id 4GFO +_reflns.observed_criterion_sigma_I -3 +_reflns.observed_criterion_sigma_F 0 +_reflns.d_resolution_low 50 +_reflns.d_resolution_high 2.3 +_reflns.number_obs 171418 +_reflns.number_all 171418 +_reflns.percent_possible_obs 92.6 +_reflns.pdbx_Rmerge_I_obs ? +_reflns.pdbx_Rsym_value 0.072 +_reflns.pdbx_netI_over_sigmaI 39 +_reflns.B_iso_Wilson_estimate 41.01 +_reflns.pdbx_redundancy 12 +_reflns.R_free_details ? +_reflns.limit_h_max ? +_reflns.limit_h_min ? +_reflns.limit_k_max ? +_reflns.limit_k_min ? +_reflns.limit_l_max ? +_reflns.limit_l_min ? +_reflns.observed_criterion_F_max ? +_reflns.observed_criterion_F_min ? +_reflns.pdbx_chi_squared ? +_reflns.pdbx_scaling_rejects ? +# +_refine.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine.entry_id 4GFO +_refine.pdbx_diffrn_id 1 +_refine.pdbx_TLS_residual_ADP_flag ? +_refine.ls_number_reflns_obs 13821 +_refine.ls_number_reflns_all 13821 +_refine.pdbx_ls_sigma_I ? +_refine.pdbx_ls_sigma_F 0.0 +_refine.pdbx_data_cutoff_high_absF ? +_refine.pdbx_data_cutoff_low_absF ? +_refine.pdbx_data_cutoff_high_rms_absF ? +_refine.ls_d_res_low 42.53 +_refine.ls_d_res_high 2.30 +_refine.ls_percent_reflns_obs 93.16 +_refine.ls_R_factor_obs 0.2367 +_refine.ls_R_factor_all ? +_refine.ls_R_factor_R_work 0.2341 +_refine.ls_R_factor_R_free 0.2868 +_refine.ls_R_factor_R_free_error ? +_refine.ls_R_factor_R_free_error_details ? +_refine.ls_percent_reflns_R_free 5.16 +_refine.ls_number_reflns_R_free 713 +_refine.ls_number_parameters ? +_refine.ls_number_restraints ? +_refine.occupancy_min ? +_refine.occupancy_max ? +_refine.correlation_coeff_Fo_to_Fc 0.9140 +_refine.correlation_coeff_Fo_to_Fc_free 0.8673 +_refine.B_iso_mean 50.75 +_refine.aniso_B[1][1] -4.1471 +_refine.aniso_B[2][2] -4.1471 +_refine.aniso_B[3][3] 8.2943 +_refine.aniso_B[1][2] 0.0000 +_refine.aniso_B[1][3] 0.0000 +_refine.aniso_B[2][3] 0.0000 +_refine.solvent_model_details ? +_refine.solvent_model_param_ksol ? +_refine.solvent_model_param_bsol ? +_refine.pdbx_solvent_vdw_probe_radii ? +_refine.pdbx_solvent_ion_probe_radii ? +_refine.pdbx_solvent_shrinkage_radii ? +_refine.pdbx_ls_cross_valid_method THROUGHOUT +_refine.details ? +_refine.pdbx_starting_model 3NZ0 +_refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' +_refine.pdbx_isotropic_thermal_model ? +_refine.pdbx_stereochemistry_target_values 'Engh & Huber' +_refine.pdbx_stereochem_target_val_spec_case ? +_refine.pdbx_R_Free_selection_details RANDOM +_refine.pdbx_overall_ESU_R ? +_refine.pdbx_overall_ESU_R_Free ? +_refine.overall_SU_ML ? +_refine.pdbx_overall_phase_error ? +_refine.overall_SU_B ? +_refine.overall_SU_R_Cruickshank_DPI 0.423 +_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? +_refine.pdbx_overall_SU_R_Blow_DPI ? +_refine.pdbx_overall_SU_R_free_Blow_DPI ? +_refine.ls_redundancy_reflns_obs ? +_refine.B_iso_min ? +_refine.B_iso_max ? +_refine.overall_SU_R_free ? +_refine.ls_wR_factor_R_free ? +_refine.ls_wR_factor_R_work ? +_refine.overall_FOM_free_R_set ? +_refine.overall_FOM_work_R_set ? +# +_refine_analyze.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_analyze.entry_id 4GFO +_refine_analyze.Luzzati_coordinate_error_obs 0.454 +_refine_analyze.Luzzati_sigma_a_obs ? +_refine_analyze.Luzzati_d_res_low_obs ? +_refine_analyze.Luzzati_coordinate_error_free ? +_refine_analyze.Luzzati_sigma_a_free ? +_refine_analyze.Luzzati_d_res_low_free ? +_refine_analyze.number_disordered_residues ? +_refine_analyze.occupancy_sum_hydrogen ? +_refine_analyze.occupancy_sum_non_hydrogen ? +_refine_analyze.pdbx_Luzzati_d_res_high_obs ? +# +_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_hist.cycle_id LAST +_refine_hist.pdbx_number_atoms_protein 2236 +_refine_hist.pdbx_number_atoms_nucleic_acid 0 +_refine_hist.pdbx_number_atoms_ligand 42 +_refine_hist.number_atoms_solvent 78 +_refine_hist.number_atoms_total 2356 +_refine_hist.d_res_high 2.30 +_refine_hist.d_res_low 42.53 +# +loop_ +_refine_ls_restr.type +_refine_ls_restr.dev_ideal +_refine_ls_restr.dev_ideal_target +_refine_ls_restr.weight +_refine_ls_restr.number +_refine_ls_restr.pdbx_refine_id +_refine_ls_restr.pdbx_restraint_function +t_bond_d 0.008 ? 2.00 2413 'X-RAY DIFFRACTION' HARMONIC +t_angle_deg 1.02 ? 2.00 3273 'X-RAY DIFFRACTION' HARMONIC +t_dihedral_angle_d ? ? 2.00 838 'X-RAY DIFFRACTION' SINUSOIDAL +t_incorr_chiral_ct ? ? ? ? 'X-RAY DIFFRACTION' ? +t_pseud_angle ? ? ? ? 'X-RAY DIFFRACTION' ? +t_trig_c_planes ? ? 2.00 51 'X-RAY DIFFRACTION' HARMONIC +t_gen_planes ? ? 5.00 351 'X-RAY DIFFRACTION' HARMONIC +t_it ? ? 20.00 2413 'X-RAY DIFFRACTION' HARMONIC +t_nbd ? ? ? ? 'X-RAY DIFFRACTION' ? +t_omega_torsion 2.53 ? ? ? 'X-RAY DIFFRACTION' ? +t_other_torsion 19.83 ? ? ? 'X-RAY DIFFRACTION' ? +t_improper_torsion ? ? ? ? 'X-RAY DIFFRACTION' ? +t_chiral_improper_torsion ? ? 5.00 287 'X-RAY DIFFRACTION' SEMIHARMONIC +t_sum_occupancies ? ? ? ? 'X-RAY DIFFRACTION' ? +t_utility_distance ? ? ? ? 'X-RAY DIFFRACTION' ? +t_utility_angle ? ? ? ? 'X-RAY DIFFRACTION' ? +t_utility_torsion ? ? ? ? 'X-RAY DIFFRACTION' ? +t_ideal_dist_contact ? ? 4.00 2832 'X-RAY DIFFRACTION' SEMIHARMONIC +# +_refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_ls_shell.pdbx_total_number_of_bins_used 7 +_refine_ls_shell.d_res_high 2.30 +_refine_ls_shell.d_res_low 2.48 +_refine_ls_shell.number_reflns_R_work 1925 +_refine_ls_shell.R_factor_R_work 0.2526 +_refine_ls_shell.percent_reflns_obs 93.16 +_refine_ls_shell.R_factor_R_free 0.2757 +_refine_ls_shell.R_factor_R_free_error ? +_refine_ls_shell.percent_reflns_R_free 4.84 +_refine_ls_shell.number_reflns_R_free 98 +_refine_ls_shell.number_reflns_all 2023 +_refine_ls_shell.R_factor_all 0.2539 +_refine_ls_shell.redundancy_reflns_obs ? +_refine_ls_shell.number_reflns_obs ? +# +_struct.entry_id 4GFO +_struct.title 'TYK2 kinase (JH1 domain) with 2,6-DICHLORO-N-(2-OXO-2,5-DIHYDROPYRIDIN-4-YL)BENZAMIDE' +_struct.pdbx_model_details ? +_struct.pdbx_CASP_flag ? +_struct.pdbx_model_type_details ? +# +_struct_keywords.entry_id 4GFO +_struct_keywords.pdbx_keywords 'TRANSFERASE/TRANSFERASE INHIBITOR' +_struct_keywords.text 'protein kinase, phosphotransfer catalyst, TRANSFERASE-TRANSFERASE INHIBITOR complex' +# +loop_ +_struct_asym.id +_struct_asym.pdbx_blank_PDB_chainid_flag +_struct_asym.pdbx_modified +_struct_asym.entity_id +_struct_asym.details +A N N 1 ? +B N N 2 ? +C N N 2 ? +D N N 3 ? +E N N 3 ? +F N N 4 ? +G N N 5 ? +H N N 6 ? +# +_struct_biol.id 1 +_struct_biol.details ? +# +loop_ +_struct_conf.conf_type_id +_struct_conf.id +_struct_conf.pdbx_PDB_helix_id +_struct_conf.beg_label_comp_id +_struct_conf.beg_label_asym_id +_struct_conf.beg_label_seq_id +_struct_conf.pdbx_beg_PDB_ins_code +_struct_conf.end_label_comp_id +_struct_conf.end_label_asym_id +_struct_conf.end_label_seq_id +_struct_conf.pdbx_end_PDB_ins_code +_struct_conf.beg_auth_comp_id +_struct_conf.beg_auth_asym_id +_struct_conf.beg_auth_seq_id +_struct_conf.end_auth_comp_id +_struct_conf.end_auth_asym_id +_struct_conf.end_auth_seq_id +_struct_conf.pdbx_PDB_helix_class +_struct_conf.details +_struct_conf.pdbx_PDB_helix_length +HELX_P HELX_P1 1 HIS A 12 ? ARG A 14 ? HIS A 893 ARG A 895 5 ? 3 +HELX_P HELX_P2 2 LYS A 64 ? THR A 72 ? LYS A 945 THR A 953 1 ? 9 +HELX_P HELX_P3 3 SER A 104 ? HIS A 112 ? SER A 985 HIS A 993 1 ? 9 +HELX_P HELX_P4 4 GLY A 115 ? GLN A 136 ? GLY A 996 GLN A 1017 1 ? 22 +HELX_P HELX_P5 5 ALA A 144 ? ARG A 146 ? ALA A 1025 ARG A 1027 5 ? 3 +HELX_P HELX_P6 6 PRO A 183 ? TYR A 187 ? PRO A 1064 TYR A 1068 5 ? 5 +HELX_P HELX_P7 7 ALA A 188 ? GLU A 194 ? ALA A 1069 GLU A 1075 1 ? 7 +HELX_P HELX_P8 8 TYR A 199 ? THR A 215 ? TYR A 1080 THR A 1096 1 ? 17 +HELX_P HELX_P9 9 ASP A 218 ? GLN A 221 ? ASP A 1099 GLN A 1102 5 ? 4 +HELX_P HELX_P10 10 SER A 222 ? LEU A 230 ? SER A 1103 LEU A 1111 1 ? 9 +HELX_P HELX_P11 11 THR A 239 ? ARG A 249 ? THR A 1120 ARG A 1130 1 ? 11 +HELX_P HELX_P12 12 PRO A 260 ? TRP A 271 ? PRO A 1141 TRP A 1152 1 ? 12 +HELX_P HELX_P13 13 GLU A 274 ? ARG A 278 ? GLU A 1155 ARG A 1159 5 ? 5 +HELX_P HELX_P14 14 THR A 280 ? ARG A 296 ? THR A 1161 ARG A 1177 1 ? 17 +# +_struct_conf_type.id HELX_P +_struct_conf_type.criteria ? +_struct_conf_type.reference ? +# +loop_ +_struct_sheet.id +_struct_sheet.type +_struct_sheet.number_strands +_struct_sheet.details +A ? 5 ? +B ? 2 ? +C ? 2 ? +D ? 2 ? +# +loop_ +_struct_sheet_order.sheet_id +_struct_sheet_order.range_id_1 +_struct_sheet_order.range_id_2 +_struct_sheet_order.offset +_struct_sheet_order.sense +A 1 2 ? anti-parallel +A 2 3 ? anti-parallel +A 3 4 ? anti-parallel +A 4 5 ? anti-parallel +B 1 2 ? anti-parallel +C 1 2 ? anti-parallel +D 1 2 ? anti-parallel +# +loop_ +_struct_sheet_range.sheet_id +_struct_sheet_range.id +_struct_sheet_range.beg_label_comp_id +_struct_sheet_range.beg_label_asym_id +_struct_sheet_range.beg_label_seq_id +_struct_sheet_range.pdbx_beg_PDB_ins_code +_struct_sheet_range.end_label_comp_id +_struct_sheet_range.end_label_asym_id +_struct_sheet_range.end_label_seq_id +_struct_sheet_range.pdbx_end_PDB_ins_code +_struct_sheet_range.beg_auth_comp_id +_struct_sheet_range.beg_auth_asym_id +_struct_sheet_range.beg_auth_seq_id +_struct_sheet_range.end_auth_comp_id +_struct_sheet_range.end_auth_asym_id +_struct_sheet_range.end_auth_seq_id +A 1 LEU A 16 ? GLU A 24 ? LEU A 897 GLU A 905 +A 2 LYS A 29 ? TYR A 35 ? LYS A 910 TYR A 916 +A 3 GLU A 44 ? ALA A 50 ? GLU A 925 ALA A 931 +A 4 GLN A 94 ? GLU A 98 ? GLN A 975 GLU A 979 +A 5 TYR A 81 ? CYS A 85 ? TYR A 962 CYS A 966 +B 1 TYR A 138 ? ILE A 139 ? TYR A 1019 ILE A 1020 +B 2 LYS A 165 ? ALA A 166 ? LYS A 1046 ALA A 1047 +C 1 VAL A 148 ? LEU A 150 ? VAL A 1029 LEU A 1031 +C 2 VAL A 156 ? ILE A 158 ? VAL A 1037 ILE A 1039 +D 1 TYR A 173 ? ARG A 175 ? TYR A 1054 ARG A 1056 +D 2 LYS A 196 ? TYR A 198 ? LYS A 1077 TYR A 1079 +# +loop_ +_pdbx_struct_sheet_hbond.sheet_id +_pdbx_struct_sheet_hbond.range_id_1 +_pdbx_struct_sheet_hbond.range_id_2 +_pdbx_struct_sheet_hbond.range_1_label_atom_id +_pdbx_struct_sheet_hbond.range_1_label_comp_id +_pdbx_struct_sheet_hbond.range_1_label_asym_id +_pdbx_struct_sheet_hbond.range_1_label_seq_id +_pdbx_struct_sheet_hbond.range_1_PDB_ins_code +_pdbx_struct_sheet_hbond.range_1_auth_atom_id +_pdbx_struct_sheet_hbond.range_1_auth_comp_id +_pdbx_struct_sheet_hbond.range_1_auth_asym_id +_pdbx_struct_sheet_hbond.range_1_auth_seq_id +_pdbx_struct_sheet_hbond.range_2_label_atom_id +_pdbx_struct_sheet_hbond.range_2_label_comp_id +_pdbx_struct_sheet_hbond.range_2_label_asym_id +_pdbx_struct_sheet_hbond.range_2_label_seq_id +_pdbx_struct_sheet_hbond.range_2_PDB_ins_code +_pdbx_struct_sheet_hbond.range_2_auth_atom_id +_pdbx_struct_sheet_hbond.range_2_auth_comp_id +_pdbx_struct_sheet_hbond.range_2_auth_asym_id +_pdbx_struct_sheet_hbond.range_2_auth_seq_id +A 1 2 N GLY A 23 ? N GLY A 904 O VAL A 30 ? O VAL A 911 +A 2 3 N SER A 31 ? N SER A 912 O VAL A 48 ? O VAL A 929 +A 3 4 N LYS A 49 ? N LYS A 930 O LEU A 95 ? O LEU A 976 +A 4 5 O VAL A 96 ? O VAL A 977 N LYS A 82 ? N LYS A 963 +B 1 2 N ILE A 139 ? N ILE A 1020 O LYS A 165 ? O LYS A 1046 +C 1 2 N LEU A 149 ? N LEU A 1030 O LYS A 157 ? O LYS A 1038 +D 1 2 N TYR A 174 ? N TYR A 1055 O PHE A 197 ? O PHE A 1078 +# +loop_ +_struct_site.id +_struct_site.pdbx_evidence_code +_struct_site.pdbx_auth_asym_id +_struct_site.pdbx_auth_comp_id +_struct_site.pdbx_auth_seq_id +_struct_site.pdbx_auth_ins_code +_struct_site.pdbx_num_residues +_struct_site.details +AC1 Software A SO4 1201 ? 2 'BINDING SITE FOR RESIDUE SO4 A 1201' +AC2 Software A SO4 1202 ? 7 'BINDING SITE FOR RESIDUE SO4 A 1202' +AC3 Software A EDO 1203 ? 4 'BINDING SITE FOR RESIDUE EDO A 1203' +AC4 Software A EDO 1204 ? 3 'BINDING SITE FOR RESIDUE EDO A 1204' +AC5 Software A GOL 1205 ? 5 'BINDING SITE FOR RESIDUE GOL A 1205' +AC6 Software A 0X2 1206 ? 13 'BINDING SITE FOR RESIDUE 0X2 A 1206' +# +loop_ +_struct_site_gen.id +_struct_site_gen.site_id +_struct_site_gen.pdbx_num_res +_struct_site_gen.label_comp_id +_struct_site_gen.label_asym_id +_struct_site_gen.label_seq_id +_struct_site_gen.pdbx_auth_ins_code +_struct_site_gen.auth_comp_id +_struct_site_gen.auth_asym_id +_struct_site_gen.auth_seq_id +_struct_site_gen.label_atom_id +_struct_site_gen.label_alt_id +_struct_site_gen.symmetry +_struct_site_gen.details +1 AC1 2 HIS A 112 ? HIS A 993 . ? 1_555 ? +2 AC1 2 SER A 113 ? SER A 994 . ? 1_555 ? +3 AC2 7 ARG A 175 ? ARG A 1056 . ? 8_545 ? +4 AC2 7 ARG A 255 ? ARG A 1136 . ? 1_555 ? +5 AC2 7 CYS A 261 ? CYS A 1142 . ? 1_555 ? +6 AC2 7 TYR A 264 ? TYR A 1145 . ? 1_555 ? +7 AC2 7 HIS A 265 ? HIS A 1146 . ? 1_555 ? +8 AC2 7 HOH H . ? HOH A 1320 . ? 1_555 ? +9 AC2 7 HOH H . ? HOH A 1370 . ? 1_555 ? +10 AC3 4 ARG A 141 ? ARG A 1022 . ? 1_555 ? +11 AC3 4 TYR A 174 ? TYR A 1055 . ? 1_555 ? +12 AC3 4 ARG A 177 ? ARG A 1058 . ? 1_555 ? +13 AC3 4 GLU A 178 ? GLU A 1059 . ? 1_555 ? +14 AC4 3 ARG A 146 ? ARG A 1027 . ? 1_555 ? +15 AC4 3 TRP A 186 ? TRP A 1067 . ? 1_555 ? +16 AC4 3 HOH H . ? HOH A 1326 . ? 1_555 ? +17 AC5 5 GLN A 65 ? GLN A 946 . ? 1_555 ? +18 AC5 5 LYS A 165 ? LYS A 1046 . ? 1_555 ? +19 AC5 5 TYR A 174 ? TYR A 1055 . ? 1_555 ? +20 AC5 5 ARG A 177 ? ARG A 1058 . ? 1_555 ? +21 AC5 5 LYS A 258 ? LYS A 1139 . ? 1_445 ? +22 AC6 13 LEU A 22 ? LEU A 903 . ? 1_555 ? +23 AC6 13 GLY A 23 ? GLY A 904 . ? 1_555 ? +24 AC6 13 GLU A 24 ? GLU A 905 . ? 1_555 ? +25 AC6 13 GLY A 25 ? GLY A 906 . ? 1_555 ? +26 AC6 13 VAL A 30 ? VAL A 911 . ? 1_555 ? +27 AC6 13 ALA A 47 ? ALA A 928 . ? 1_555 ? +28 AC6 13 GLU A 98 ? GLU A 979 . ? 1_555 ? +29 AC6 13 TYR A 99 ? TYR A 980 . ? 1_555 ? +30 AC6 13 VAL A 100 ? VAL A 981 . ? 1_555 ? +31 AC6 13 ARG A 146 ? ARG A 1027 . ? 1_555 ? +32 AC6 13 ASN A 147 ? ASN A 1028 . ? 1_555 ? +33 AC6 13 LEU A 149 ? LEU A 1030 . ? 1_555 ? +34 AC6 13 HOH H . ? HOH A 1378 . ? 1_555 ? +# +_database_PDB_matrix.entry_id 4GFO +_database_PDB_matrix.origx[1][1] 1.000000 +_database_PDB_matrix.origx[1][2] 0.000000 +_database_PDB_matrix.origx[1][3] 0.000000 +_database_PDB_matrix.origx[2][1] 0.000000 +_database_PDB_matrix.origx[2][2] 1.000000 +_database_PDB_matrix.origx[2][3] 0.000000 +_database_PDB_matrix.origx[3][1] 0.000000 +_database_PDB_matrix.origx[3][2] 0.000000 +_database_PDB_matrix.origx[3][3] 1.000000 +_database_PDB_matrix.origx_vector[1] 0.00000 +_database_PDB_matrix.origx_vector[2] 0.00000 +_database_PDB_matrix.origx_vector[3] 0.00000 +# +_atom_sites.entry_id 4GFO +_atom_sites.fract_transf_matrix[1][1] 0.020259 +_atom_sites.fract_transf_matrix[1][2] 0.011696 +_atom_sites.fract_transf_matrix[1][3] 0.000000 +_atom_sites.fract_transf_matrix[2][1] 0.000000 +_atom_sites.fract_transf_matrix[2][2] 0.023393 +_atom_sites.fract_transf_matrix[2][3] 0.000000 +_atom_sites.fract_transf_matrix[3][1] 0.000000 +_atom_sites.fract_transf_matrix[3][2] 0.000000 +_atom_sites.fract_transf_matrix[3][3] 0.002377 +_atom_sites.fract_transf_vector[1] 0.00000 +_atom_sites.fract_transf_vector[2] 0.00000 +_atom_sites.fract_transf_vector[3] 0.00000 +# +loop_ +_atom_type.symbol +C +CL +N +O +S +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +_atom_site.pdbx_formal_charge +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.pdbx_PDB_model_num +ATOM 1 N N . THR A 1 9 ? 10.580 -28.753 36.736 1.00 76.88 ? 890 THR A N 1 +ATOM 2 C CA . THR A 1 9 ? 9.791 -27.902 37.626 1.00 77.31 ? 890 THR A CA 1 +ATOM 3 C C . THR A 1 9 ? 8.451 -27.520 36.984 1.00 79.77 ? 890 THR A C 1 +ATOM 4 O O . THR A 1 9 ? 8.426 -26.972 35.875 1.00 77.34 ? 890 THR A O 1 +ATOM 5 C CB . THR A 1 9 ? 10.617 -26.674 38.069 1.00 87.35 ? 890 THR A CB 1 +ATOM 6 O OG1 . THR A 1 9 ? 11.853 -27.122 38.633 1.00 90.97 ? 890 THR A OG1 1 +ATOM 7 C CG2 . THR A 1 9 ? 9.882 -25.789 39.082 1.00 86.14 ? 890 THR A CG2 1 +ATOM 8 N N . VAL A 1 10 ? 7.341 -27.813 37.691 1.00 77.35 ? 891 VAL A N 1 +ATOM 9 C CA . VAL A 1 10 ? 5.986 -27.473 37.252 1.00 77.18 ? 891 VAL A CA 1 +ATOM 10 C C . VAL A 1 10 ? 5.602 -26.154 37.922 1.00 79.27 ? 891 VAL A C 1 +ATOM 11 O O . VAL A 1 10 ? 5.509 -26.087 39.147 1.00 80.88 ? 891 VAL A O 1 +ATOM 12 C CB . VAL A 1 10 ? 4.956 -28.622 37.486 1.00 84.34 ? 891 VAL A CB 1 +ATOM 13 C CG1 . VAL A 1 10 ? 3.512 -28.129 37.374 1.00 84.92 ? 891 VAL A CG1 1 +ATOM 14 C CG2 . VAL A 1 10 ? 5.199 -29.782 36.520 1.00 84.61 ? 891 VAL A CG2 1 +ATOM 15 N N . PHE A 1 11 ? 5.445 -25.101 37.111 1.00 73.02 ? 892 PHE A N 1 +ATOM 16 C CA . PHE A 1 11 ? 5.079 -23.757 37.553 1.00 72.08 ? 892 PHE A CA 1 +ATOM 17 C C . PHE A 1 11 ? 3.561 -23.602 37.567 1.00 76.63 ? 892 PHE A C 1 +ATOM 18 O O . PHE A 1 11 ? 2.871 -24.193 36.729 1.00 76.33 ? 892 PHE A O 1 +ATOM 19 C CB . PHE A 1 11 ? 5.694 -22.703 36.622 1.00 71.58 ? 892 PHE A CB 1 +ATOM 20 C CG . PHE A 1 11 ? 7.168 -22.453 36.820 1.00 72.07 ? 892 PHE A CG 1 +ATOM 21 C CD1 . PHE A 1 11 ? 8.116 -23.340 36.320 1.00 74.25 ? 892 PHE A CD1 1 +ATOM 22 C CD2 . PHE A 1 11 ? 7.614 -21.301 37.456 1.00 73.98 ? 892 PHE A CD2 1 +ATOM 23 C CE1 . PHE A 1 11 ? 9.479 -23.105 36.501 1.00 74.16 ? 892 PHE A CE1 1 +ATOM 24 C CE2 . PHE A 1 11 ? 8.980 -21.061 37.627 1.00 75.72 ? 892 PHE A CE2 1 +ATOM 25 C CZ . PHE A 1 11 ? 9.903 -21.964 37.149 1.00 73.04 ? 892 PHE A CZ 1 +ATOM 26 N N . HIS A 1 12 ? 3.045 -22.791 38.508 1.00 73.57 ? 893 HIS A N 1 +ATOM 27 C CA . HIS A 1 12 ? 1.612 -22.536 38.648 1.00 74.17 ? 893 HIS A CA 1 +ATOM 28 C C . HIS A 1 12 ? 1.256 -21.125 38.203 1.00 74.79 ? 893 HIS A C 1 +ATOM 29 O O . HIS A 1 12 ? 1.766 -20.148 38.767 1.00 72.14 ? 893 HIS A O 1 +ATOM 30 C CB . HIS A 1 12 ? 1.134 -22.836 40.074 1.00 77.60 ? 893 HIS A CB 1 +ATOM 31 C CG . HIS A 1 12 ? 1.458 -24.226 40.526 1.00 82.68 ? 893 HIS A CG 1 +ATOM 32 N ND1 . HIS A 1 12 ? 0.909 -25.335 39.905 1.00 85.70 ? 893 HIS A ND1 1 +ATOM 33 C CD2 . HIS A 1 12 ? 2.277 -24.643 41.520 1.00 85.30 ? 893 HIS A CD2 1 +ATOM 34 C CE1 . HIS A 1 12 ? 1.403 -26.385 40.541 1.00 86.78 ? 893 HIS A CE1 1 +ATOM 35 N NE2 . HIS A 1 12 ? 2.228 -26.018 41.522 1.00 86.92 ? 893 HIS A NE2 1 +ATOM 36 N N . LYS A 1 13 ? 0.386 -21.037 37.160 1.00 71.42 ? 894 LYS A N 1 +ATOM 37 C CA . LYS A 1 13 ? -0.099 -19.805 36.521 1.00 70.12 ? 894 LYS A CA 1 +ATOM 38 C C . LYS A 1 13 ? -0.699 -18.797 37.504 1.00 76.02 ? 894 LYS A C 1 +ATOM 39 O O . LYS A 1 13 ? -0.571 -17.592 37.277 1.00 75.62 ? 894 LYS A O 1 +ATOM 40 C CB . LYS A 1 13 ? -1.079 -20.126 35.378 1.00 72.76 ? 894 LYS A CB 1 +ATOM 41 C CG . LYS A 1 13 ? -1.133 -19.049 34.291 1.00 86.92 ? 894 LYS A CG 1 +ATOM 42 C CD . LYS A 1 13 ? -1.911 -19.501 33.054 1.00 96.25 ? 894 LYS A CD 1 +ATOM 43 C CE . LYS A 1 13 ? -1.936 -18.440 31.977 1.00 101.07 ? 894 LYS A CE 1 +ATOM 44 N NZ . LYS A 1 13 ? -2.530 -18.942 30.707 1.00 106.65 ? 894 LYS A NZ 1 +ATOM 45 N N . ARG A 1 14 ? -1.322 -19.292 38.598 1.00 74.55 ? 895 ARG A N 1 +ATOM 46 C CA . ARG A 1 14 ? -1.927 -18.505 39.680 1.00 76.29 ? 895 ARG A CA 1 +ATOM 47 C C . ARG A 1 14 ? -0.930 -17.491 40.278 1.00 78.91 ? 895 ARG A C 1 +ATOM 48 O O . ARG A 1 14 ? -1.300 -16.341 40.534 1.00 79.04 ? 895 ARG A O 1 +ATOM 49 C CB . ARG A 1 14 ? -2.463 -19.459 40.769 1.00 79.83 ? 895 ARG A CB 1 +ATOM 50 C CG . ARG A 1 14 ? -3.165 -18.796 41.957 1.00 95.67 ? 895 ARG A CG 1 +ATOM 51 C CD . ARG A 1 14 ? -3.992 -19.781 42.771 1.00 115.09 ? 895 ARG A CD 1 +ATOM 52 N NE . ARG A 1 14 ? -3.176 -20.684 43.592 1.00 131.41 ? 895 ARG A NE 1 +ATOM 53 C CZ . ARG A 1 14 ? -2.882 -21.943 43.274 1.00 150.26 ? 895 ARG A CZ 1 +ATOM 54 N NH1 . ARG A 1 14 ? -3.326 -22.472 42.140 1.00 139.68 ? 895 ARG A NH1 1 +ATOM 55 N NH2 . ARG A 1 14 ? -2.140 -22.683 44.087 1.00 138.78 ? 895 ARG A NH2 1 +ATOM 56 N N . TYR A 1 15 ? 0.328 -17.918 40.481 1.00 73.63 ? 896 TYR A N 1 +ATOM 57 C CA . TYR A 1 15 ? 1.376 -17.069 41.047 1.00 72.17 ? 896 TYR A CA 1 +ATOM 58 C C . TYR A 1 15 ? 2.245 -16.394 39.989 1.00 72.45 ? 896 TYR A C 1 +ATOM 59 O O . TYR A 1 15 ? 3.133 -15.604 40.321 1.00 71.38 ? 896 TYR A O 1 +ATOM 60 C CB . TYR A 1 15 ? 2.195 -17.839 42.087 1.00 73.83 ? 896 TYR A CB 1 +ATOM 61 C CG . TYR A 1 15 ? 1.321 -18.535 43.106 1.00 77.83 ? 896 TYR A CG 1 +ATOM 62 C CD1 . TYR A 1 15 ? 0.619 -17.809 44.066 1.00 81.51 ? 896 TYR A CD1 1 +ATOM 63 C CD2 . TYR A 1 15 ? 1.168 -19.917 43.093 1.00 79.51 ? 896 TYR A CD2 1 +ATOM 64 C CE1 . TYR A 1 15 ? -0.216 -18.442 44.983 1.00 84.68 ? 896 TYR A CE1 1 +ATOM 65 C CE2 . TYR A 1 15 ? 0.354 -20.563 44.019 1.00 83.26 ? 896 TYR A CE2 1 +ATOM 66 C CZ . TYR A 1 15 ? -0.339 -19.821 44.961 1.00 92.83 ? 896 TYR A CZ 1 +ATOM 67 O OH . TYR A 1 15 ? -1.149 -20.455 45.874 1.00 97.78 ? 896 TYR A OH 1 +ATOM 68 N N . LEU A 1 16 ? 1.937 -16.660 38.714 1.00 67.41 ? 897 LEU A N 1 +ATOM 69 C CA . LEU A 1 16 ? 2.618 -16.062 37.572 1.00 65.51 ? 897 LEU A CA 1 +ATOM 70 C C . LEU A 1 16 ? 1.842 -14.802 37.153 1.00 67.66 ? 897 LEU A C 1 +ATOM 71 O O . LEU A 1 16 ? 0.675 -14.895 36.762 1.00 67.52 ? 897 LEU A O 1 +ATOM 72 C CB . LEU A 1 16 ? 2.705 -17.094 36.424 1.00 64.85 ? 897 LEU A CB 1 +ATOM 73 C CG . LEU A 1 16 ? 3.981 -17.130 35.572 1.00 68.05 ? 897 LEU A CG 1 +ATOM 74 C CD1 . LEU A 1 16 ? 5.210 -17.459 36.395 1.00 67.59 ? 897 LEU A CD1 1 +ATOM 75 C CD2 . LEU A 1 16 ? 3.853 -18.162 34.470 1.00 70.63 ? 897 LEU A CD2 1 +ATOM 76 N N . LYS A 1 17 ? 2.477 -13.624 37.308 1.00 62.49 ? 898 LYS A N 1 +ATOM 77 C CA . LYS A 1 17 ? 1.912 -12.315 36.979 1.00 62.35 ? 898 LYS A CA 1 +ATOM 78 C C . LYS A 1 17 ? 2.801 -11.629 35.956 1.00 63.97 ? 898 LYS A C 1 +ATOM 79 O O . LYS A 1 17 ? 3.976 -11.407 36.240 1.00 62.87 ? 898 LYS A O 1 +ATOM 80 C CB . LYS A 1 17 ? 1.787 -11.452 38.254 1.00 66.61 ? 898 LYS A CB 1 +ATOM 81 C CG . LYS A 1 17 ? 1.315 -10.016 38.011 1.00 79.98 ? 898 LYS A CG 1 +ATOM 82 C CD . LYS A 1 17 ? 1.639 -9.096 39.187 1.00 90.03 ? 898 LYS A CD 1 +ATOM 83 C CE . LYS A 1 17 ? 2.388 -7.844 38.784 1.00 99.33 ? 898 LYS A CE 1 +ATOM 84 N NZ . LYS A 1 17 ? 1.568 -6.928 37.946 1.00 110.61 ? 898 LYS A NZ 1 +ATOM 85 N N . LYS A 1 18 ? 2.235 -11.265 34.784 1.00 59.84 ? 899 LYS A N 1 +ATOM 86 C CA . LYS A 1 18 ? 2.945 -10.597 33.682 1.00 58.60 ? 899 LYS A CA 1 +ATOM 87 C C . LYS A 1 18 ? 3.372 -9.176 34.058 1.00 63.21 ? 899 LYS A C 1 +ATOM 88 O O . LYS A 1 18 ? 2.560 -8.415 34.583 1.00 64.46 ? 899 LYS A O 1 +ATOM 89 C CB . LYS A 1 18 ? 2.075 -10.583 32.405 1.00 61.15 ? 899 LYS A CB 1 +ATOM 90 C CG . LYS A 1 18 ? 2.810 -10.159 31.133 1.00 67.80 ? 899 LYS A CG 1 +ATOM 91 C CD . LYS A 1 18 ? 1.983 -9.189 30.309 1.00 79.21 ? 899 LYS A CD 1 +ATOM 92 C CE . LYS A 1 18 ? 2.593 -8.900 28.959 1.00 85.94 ? 899 LYS A CE 1 +ATOM 93 N NZ . LYS A 1 18 ? 1.702 -8.050 28.129 1.00 95.58 ? 899 LYS A NZ 1 +ATOM 94 N N . ILE A 1 19 ? 4.643 -8.824 33.773 1.00 59.08 ? 900 ILE A N 1 +ATOM 95 C CA . ILE A 1 19 ? 5.207 -7.503 34.056 1.00 59.85 ? 900 ILE A CA 1 +ATOM 96 C C . ILE A 1 19 ? 5.250 -6.587 32.832 1.00 65.34 ? 900 ILE A C 1 +ATOM 97 O O . ILE A 1 19 ? 4.722 -5.477 32.909 1.00 66.36 ? 900 ILE A O 1 +ATOM 98 C CB . ILE A 1 19 ? 6.516 -7.558 34.912 1.00 62.08 ? 900 ILE A CB 1 +ATOM 99 C CG1 . ILE A 1 19 ? 6.194 -7.462 36.418 1.00 64.11 ? 900 ILE A CG1 1 +ATOM 100 C CG2 . ILE A 1 19 ? 7.502 -6.448 34.558 1.00 62.53 ? 900 ILE A CG2 1 +ATOM 101 C CD1 . ILE A 1 19 ? 5.617 -8.671 37.049 1.00 71.67 ? 900 ILE A CD1 1 +ATOM 102 N N . ARG A 1 20 ? 5.874 -7.044 31.711 1.00 61.90 ? 901 ARG A N 1 +ATOM 103 C CA . ARG A 1 20 ? 5.985 -6.273 30.463 1.00 62.44 ? 901 ARG A CA 1 +ATOM 104 C C . ARG A 1 20 ? 6.480 -7.102 29.268 1.00 66.24 ? 901 ARG A C 1 +ATOM 105 O O . ARG A 1 20 ? 7.302 -8.001 29.441 1.00 64.83 ? 901 ARG A O 1 +ATOM 106 C CB . ARG A 1 20 ? 6.748 -4.935 30.673 1.00 62.99 ? 901 ARG A CB 1 +ATOM 107 C CG . ARG A 1 20 ? 8.130 -4.799 30.070 1.00 63.75 ? 901 ARG A CG 1 +ATOM 108 C CD . ARG A 1 20 ? 8.055 -3.832 28.923 1.00 70.72 ? 901 ARG A CD 1 +ATOM 109 N NE . ARG A 1 20 ? 9.320 -3.140 28.704 1.00 82.82 ? 901 ARG A NE 1 +ATOM 110 C CZ . ARG A 1 20 ? 9.608 -1.937 29.186 1.00 99.98 ? 901 ARG A CZ 1 +ATOM 111 N NH1 . ARG A 1 20 ? 8.726 -1.282 29.932 1.00 89.46 ? 901 ARG A NH1 1 +ATOM 112 N NH2 . ARG A 1 20 ? 10.779 -1.377 28.925 1.00 87.21 ? 901 ARG A NH2 1 +ATOM 113 N N . ASP A 1 21 ? 5.954 -6.806 28.064 1.00 64.47 ? 902 ASP A N 1 +ATOM 114 C CA . ASP A 1 21 ? 6.275 -7.505 26.811 1.00 63.77 ? 902 ASP A CA 1 +ATOM 115 C C . ASP A 1 21 ? 7.711 -7.304 26.326 1.00 65.82 ? 902 ASP A C 1 +ATOM 116 O O . ASP A 1 21 ? 8.239 -6.191 26.377 1.00 66.10 ? 902 ASP A O 1 +ATOM 117 C CB . ASP A 1 21 ? 5.293 -7.108 25.692 1.00 67.43 ? 902 ASP A CB 1 +ATOM 118 C CG . ASP A 1 21 ? 3.935 -7.777 25.776 1.00 81.63 ? 902 ASP A CG 1 +ATOM 119 O OD1 . ASP A 1 21 ? 3.888 -9.028 25.778 1.00 81.27 ? 902 ASP A OD1 1 +ATOM 120 O OD2 . ASP A 1 21 ? 2.914 -7.050 25.800 1.00 90.28 ? 902 ASP A OD2 1 +ATOM 121 N N . LEU A 1 22 ? 8.320 -8.387 25.812 1.00 60.92 ? 903 LEU A N 1 +ATOM 122 C CA . LEU A 1 22 ? 9.679 -8.382 25.257 1.00 60.52 ? 903 LEU A CA 1 +ATOM 123 C C . LEU A 1 22 ? 9.643 -8.453 23.724 1.00 65.12 ? 903 LEU A C 1 +ATOM 124 O O . LEU A 1 22 ? 10.414 -7.760 23.058 1.00 65.47 ? 903 LEU A O 1 +ATOM 125 C CB . LEU A 1 22 ? 10.518 -9.538 25.835 1.00 58.54 ? 903 LEU A CB 1 +ATOM 126 C CG . LEU A 1 22 ? 10.585 -9.646 27.361 1.00 62.45 ? 903 LEU A CG 1 +ATOM 127 C CD1 . LEU A 1 22 ? 10.746 -11.081 27.783 1.00 61.50 ? 903 LEU A CD1 1 +ATOM 128 C CD2 . LEU A 1 22 ? 11.710 -8.805 27.929 1.00 65.25 ? 903 LEU A CD2 1 +ATOM 129 N N . GLY A 1 23 ? 8.741 -9.280 23.191 1.00 62.38 ? 904 GLY A N 1 +ATOM 130 C CA . GLY A 1 23 ? 8.551 -9.455 21.754 1.00 63.89 ? 904 GLY A CA 1 +ATOM 131 C C . GLY A 1 23 ? 8.110 -10.848 21.354 1.00 69.17 ? 904 GLY A C 1 +ATOM 132 O O . GLY A 1 23 ? 7.676 -11.640 22.197 1.00 66.53 ? 904 GLY A O 1 +ATOM 133 N N . GLU A 1 24 ? 8.223 -11.145 20.050 1.00 70.00 ? 905 GLU A N 1 +ATOM 134 C CA . GLU A 1 24 ? 7.895 -12.442 19.448 1.00 70.99 ? 905 GLU A CA 1 +ATOM 135 C C . GLU A 1 24 ? 8.894 -12.808 18.360 1.00 79.07 ? 905 GLU A C 1 +ATOM 136 O O . GLU A 1 24 ? 9.444 -11.916 17.709 1.00 80.74 ? 905 GLU A O 1 +ATOM 137 C CB . GLU A 1 24 ? 6.433 -12.537 18.972 1.00 73.52 ? 905 GLU A CB 1 +ATOM 138 C CG . GLU A 1 24 ? 5.862 -11.303 18.293 1.00 87.68 ? 905 GLU A CG 1 +ATOM 139 C CD . GLU A 1 24 ? 4.346 -11.233 18.331 1.00 110.23 ? 905 GLU A CD 1 +ATOM 140 O OE1 . GLU A 1 24 ? 3.690 -12.106 17.716 1.00 105.01 ? 905 GLU A OE1 1 +ATOM 141 O OE2 . GLU A 1 24 ? 3.811 -10.298 18.969 1.00 106.05 ? 905 GLU A OE2 1 +ATOM 142 N N . GLY A 1 25 ? 9.168 -14.107 18.221 1.00 77.11 ? 906 GLY A N 1 +ATOM 143 C CA . GLY A 1 25 ? 10.155 -14.621 17.277 1.00 78.40 ? 906 GLY A CA 1 +ATOM 144 C C . GLY A 1 25 ? 9.632 -15.491 16.156 1.00 85.40 ? 906 GLY A C 1 +ATOM 145 O O . GLY A 1 25 ? 9.799 -15.150 14.979 1.00 86.99 ? 906 GLY A O 1 +ATOM 146 N N . HIS A 1 26 ? 9.052 -16.644 16.511 1.00 82.22 ? 907 HIS A N 1 +ATOM 147 C CA . HIS A 1 26 ? 8.464 -17.558 15.531 1.00 83.85 ? 907 HIS A CA 1 +ATOM 148 C C . HIS A 1 26 ? 6.926 -17.595 15.778 1.00 89.86 ? 907 HIS A C 1 +ATOM 149 O O . HIS A 1 26 ? 6.307 -18.640 16.008 1.00 89.75 ? 907 HIS A O 1 +ATOM 150 C CB A HIS A 1 26 ? 9.142 -18.943 15.556 0.50 83.67 ? 907 HIS A CB 1 +ATOM 151 C CB B HIS A 1 26 ? 9.127 -18.951 15.640 0.50 83.77 ? 907 HIS A CB 1 +ATOM 152 C CG A HIS A 1 26 ? 8.790 -19.801 14.378 0.50 88.56 ? 907 HIS A CG 1 +ATOM 153 C CG B HIS A 1 26 ? 8.956 -19.612 16.976 0.50 85.71 ? 907 HIS A CG 1 +ATOM 154 N ND1 A HIS A 1 26 ? 9.137 -19.438 13.087 0.50 91.92 ? 907 HIS A ND1 1 +ATOM 155 N ND1 B HIS A 1 26 ? 9.588 -19.131 18.107 0.50 85.87 ? 907 HIS A ND1 1 +ATOM 156 C CD2 A HIS A 1 26 ? 8.132 -20.982 14.336 0.50 90.69 ? 907 HIS A CD2 1 +ATOM 157 C CD2 B HIS A 1 26 ? 8.216 -20.694 17.315 0.50 87.68 ? 907 HIS A CD2 1 +ATOM 158 C CE1 A HIS A 1 26 ? 8.662 -20.394 12.306 0.50 92.66 ? 907 HIS A CE1 1 +ATOM 159 C CE1 B HIS A 1 26 ? 9.220 -19.933 19.092 0.50 84.63 ? 907 HIS A CE1 1 +ATOM 160 N NE2 A HIS A 1 26 ? 8.061 -21.350 13.013 0.50 92.36 ? 907 HIS A NE2 1 +ATOM 161 N NE2 B HIS A 1 26 ? 8.394 -20.887 18.664 0.50 86.08 ? 907 HIS A NE2 1 +ATOM 162 N N . PHE A 1 27 ? 6.333 -16.379 15.760 1.00 87.27 ? 908 PHE A N 1 +ATOM 163 C CA . PHE A 1 27 ? 4.927 -16.056 16.036 1.00 87.67 ? 908 PHE A CA 1 +ATOM 164 C C . PHE A 1 27 ? 4.480 -16.275 17.506 1.00 87.30 ? 908 PHE A C 1 +ATOM 165 O O . PHE A 1 27 ? 3.398 -15.823 17.898 1.00 88.28 ? 908 PHE A O 1 +ATOM 166 C CB . PHE A 1 27 ? 3.947 -16.539 14.938 1.00 92.19 ? 908 PHE A CB 1 +ATOM 167 C CG . PHE A 1 27 ? 3.128 -17.788 15.180 1.00 94.74 ? 908 PHE A CG 1 +ATOM 168 C CD1 . PHE A 1 27 ? 3.556 -19.023 14.703 1.00 98.50 ? 908 PHE A CD1 1 +ATOM 169 C CD2 . PHE A 1 27 ? 1.875 -17.713 15.782 1.00 97.99 ? 908 PHE A CD2 1 +ATOM 170 C CE1 . PHE A 1 27 ? 2.783 -20.172 14.898 1.00 100.27 ? 908 PHE A CE1 1 +ATOM 171 C CE2 . PHE A 1 27 ? 1.104 -18.862 15.978 1.00 101.64 ? 908 PHE A CE2 1 +ATOM 172 C CZ . PHE A 1 27 ? 1.561 -20.083 15.530 1.00 99.90 ? 908 PHE A CZ 1 +ATOM 173 N N . GLY A 1 28 ? 5.362 -16.888 18.306 1.00 78.53 ? 909 GLY A N 1 +ATOM 174 C CA . GLY A 1 28 ? 5.183 -17.117 19.735 1.00 74.96 ? 909 GLY A CA 1 +ATOM 175 C C . GLY A 1 28 ? 5.748 -15.952 20.520 1.00 73.08 ? 909 GLY A C 1 +ATOM 176 O O . GLY A 1 28 ? 6.906 -15.580 20.319 1.00 71.97 ? 909 GLY A O 1 +ATOM 177 N N . LYS A 1 29 ? 4.926 -15.361 21.411 1.00 66.40 ? 910 LYS A N 1 +ATOM 178 C CA . LYS A 1 29 ? 5.265 -14.176 22.203 1.00 64.31 ? 910 LYS A CA 1 +ATOM 179 C C . LYS A 1 29 ? 6.000 -14.479 23.522 1.00 62.42 ? 910 LYS A C 1 +ATOM 180 O O . LYS A 1 29 ? 5.659 -15.437 24.222 1.00 59.95 ? 910 LYS A O 1 +ATOM 181 C CB . LYS A 1 29 ? 4.004 -13.306 22.423 1.00 67.95 ? 910 LYS A CB 1 +ATOM 182 C CG . LYS A 1 29 ? 4.238 -11.957 23.123 1.00 86.09 ? 910 LYS A CG 1 +ATOM 183 C CD . LYS A 1 29 ? 3.500 -10.780 22.463 1.00 99.68 ? 910 LYS A CD 1 +ATOM 184 C CE . LYS A 1 29 ? 2.040 -10.642 22.852 1.00 113.94 ? 910 LYS A CE 1 +ATOM 185 N NZ . LYS A 1 29 ? 1.859 -10.225 24.270 1.00 120.54 ? 910 LYS A NZ 1 +ATOM 186 N N . VAL A 1 30 ? 7.004 -13.639 23.849 1.00 56.65 ? 911 VAL A N 1 +ATOM 187 C CA . VAL A 1 30 ? 7.799 -13.735 25.077 1.00 54.79 ? 911 VAL A CA 1 +ATOM 188 C C . VAL A 1 30 ? 7.529 -12.516 25.956 1.00 58.34 ? 911 VAL A C 1 +ATOM 189 O O . VAL A 1 30 ? 7.616 -11.377 25.486 1.00 58.74 ? 911 VAL A O 1 +ATOM 190 C CB . VAL A 1 30 ? 9.330 -13.903 24.839 1.00 57.35 ? 911 VAL A CB 1 +ATOM 191 C CG1 . VAL A 1 30 ? 10.027 -14.448 26.087 1.00 55.70 ? 911 VAL A CG1 1 +ATOM 192 C CG2 . VAL A 1 30 ? 9.628 -14.779 23.626 1.00 56.98 ? 911 VAL A CG2 1 +ATOM 193 N N . SER A 1 31 ? 7.252 -12.758 27.240 1.00 54.00 ? 912 SER A N 1 +ATOM 194 C CA . SER A 1 31 ? 7.022 -11.684 28.201 1.00 54.84 ? 912 SER A CA 1 +ATOM 195 C C . SER A 1 31 ? 7.695 -11.947 29.547 1.00 57.37 ? 912 SER A C 1 +ATOM 196 O O . SER A 1 31 ? 7.883 -13.103 29.947 1.00 55.07 ? 912 SER A O 1 +ATOM 197 C CB . SER A 1 31 ? 5.528 -11.431 28.392 1.00 59.77 ? 912 SER A CB 1 +ATOM 198 O OG . SER A 1 31 ? 4.929 -10.953 27.199 1.00 69.24 ? 912 SER A OG 1 +ATOM 199 N N . LEU A 1 32 ? 8.057 -10.848 30.233 1.00 54.71 ? 913 LEU A N 1 +ATOM 200 C CA . LEU A 1 32 ? 8.638 -10.839 31.570 1.00 54.34 ? 913 LEU A CA 1 +ATOM 201 C C . LEU A 1 32 ? 7.497 -11.016 32.588 1.00 60.34 ? 913 LEU A C 1 +ATOM 202 O O . LEU A 1 32 ? 6.551 -10.229 32.597 1.00 60.61 ? 913 LEU A O 1 +ATOM 203 C CB . LEU A 1 32 ? 9.393 -9.508 31.790 1.00 55.12 ? 913 LEU A CB 1 +ATOM 204 C CG . LEU A 1 32 ? 9.985 -9.217 33.181 1.00 59.33 ? 913 LEU A CG 1 +ATOM 205 C CD1 . LEU A 1 32 ? 10.949 -10.303 33.612 1.00 57.56 ? 913 LEU A CD1 1 +ATOM 206 C CD2 . LEU A 1 32 ? 10.689 -7.873 33.197 1.00 61.76 ? 913 LEU A CD2 1 +ATOM 207 N N . TYR A 1 33 ? 7.573 -12.083 33.400 1.00 57.88 ? 914 TYR A N 1 +ATOM 208 C CA . TYR A 1 33 ? 6.597 -12.436 34.439 1.00 58.58 ? 914 TYR A CA 1 +ATOM 209 C C . TYR A 1 33 ? 7.305 -12.557 35.785 1.00 61.55 ? 914 TYR A C 1 +ATOM 210 O O . TYR A 1 33 ? 8.507 -12.822 35.826 1.00 59.14 ? 914 TYR A O 1 +ATOM 211 C CB . TYR A 1 33 ? 5.950 -13.801 34.132 1.00 60.39 ? 914 TYR A CB 1 +ATOM 212 C CG . TYR A 1 33 ? 4.820 -13.800 33.123 1.00 64.49 ? 914 TYR A CG 1 +ATOM 213 C CD1 . TYR A 1 33 ? 3.525 -14.158 33.495 1.00 67.73 ? 914 TYR A CD1 1 +ATOM 214 C CD2 . TYR A 1 33 ? 5.064 -13.554 31.775 1.00 65.22 ? 914 TYR A CD2 1 +ATOM 215 C CE1 . TYR A 1 33 ? 2.492 -14.223 32.559 1.00 68.98 ? 914 TYR A CE1 1 +ATOM 216 C CE2 . TYR A 1 33 ? 4.040 -13.618 30.830 1.00 67.21 ? 914 TYR A CE2 1 +ATOM 217 C CZ . TYR A 1 33 ? 2.753 -13.947 31.227 1.00 77.05 ? 914 TYR A CZ 1 +ATOM 218 O OH . TYR A 1 33 ? 1.748 -14.005 30.288 1.00 80.15 ? 914 TYR A OH 1 +ATOM 219 N N . CYS A 1 34 ? 6.544 -12.409 36.889 1.00 59.65 ? 915 CYS A N 1 +ATOM 220 C CA . CYS A 1 34 ? 7.045 -12.572 38.248 1.00 59.87 ? 915 CYS A CA 1 +ATOM 221 C C . CYS A 1 34 ? 6.433 -13.828 38.829 1.00 63.64 ? 915 CYS A C 1 +ATOM 222 O O . CYS A 1 34 ? 5.205 -13.944 38.858 1.00 64.40 ? 915 CYS A O 1 +ATOM 223 C CB . CYS A 1 34 ? 6.717 -11.355 39.106 1.00 61.78 ? 915 CYS A CB 1 +ATOM 224 S SG . CYS A 1 34 ? 7.253 -11.498 40.833 1.00 67.29 ? 915 CYS A SG 1 +ATOM 225 N N . TYR A 1 35 ? 7.271 -14.770 39.291 1.00 58.43 ? 916 TYR A N 1 +ATOM 226 C CA . TYR A 1 35 ? 6.741 -15.967 39.935 1.00 58.80 ? 916 TYR A CA 1 +ATOM 227 C C . TYR A 1 35 ? 6.874 -15.798 41.438 1.00 62.84 ? 916 TYR A C 1 +ATOM 228 O O . TYR A 1 35 ? 7.992 -15.748 41.957 1.00 62.24 ? 916 TYR A O 1 +ATOM 229 C CB . TYR A 1 35 ? 7.416 -17.252 39.430 1.00 59.06 ? 916 TYR A CB 1 +ATOM 230 C CG . TYR A 1 35 ? 6.774 -18.537 39.922 1.00 61.43 ? 916 TYR A CG 1 +ATOM 231 C CD1 . TYR A 1 35 ? 5.423 -18.797 39.700 1.00 63.85 ? 916 TYR A CD1 1 +ATOM 232 C CD2 . TYR A 1 35 ? 7.535 -19.527 40.539 1.00 62.45 ? 916 TYR A CD2 1 +ATOM 233 C CE1 . TYR A 1 35 ? 4.838 -19.996 40.108 1.00 65.66 ? 916 TYR A CE1 1 +ATOM 234 C CE2 . TYR A 1 35 ? 6.964 -20.736 40.940 1.00 64.67 ? 916 TYR A CE2 1 +ATOM 235 C CZ . TYR A 1 35 ? 5.611 -20.962 40.733 1.00 71.99 ? 916 TYR A CZ 1 +ATOM 236 O OH . TYR A 1 35 ? 5.039 -22.148 41.134 1.00 72.36 ? 916 TYR A OH 1 +ATOM 237 N N . ASP A 1 36 ? 5.727 -15.643 42.126 1.00 60.36 ? 917 ASP A N 1 +ATOM 238 C CA . ASP A 1 36 ? 5.664 -15.456 43.576 1.00 61.75 ? 917 ASP A CA 1 +ATOM 239 C C . ASP A 1 36 ? 4.738 -16.482 44.269 1.00 67.09 ? 917 ASP A C 1 +ATOM 240 O O . ASP A 1 36 ? 3.683 -16.093 44.772 1.00 68.02 ? 917 ASP A O 1 +ATOM 241 C CB . ASP A 1 36 ? 5.267 -14.000 43.920 1.00 64.22 ? 917 ASP A CB 1 +ATOM 242 C CG . ASP A 1 36 ? 5.654 -13.528 45.315 1.00 73.33 ? 917 ASP A CG 1 +ATOM 243 O OD1 . ASP A 1 36 ? 6.352 -14.285 46.034 1.00 73.75 ? 917 ASP A OD1 1 +ATOM 244 O OD2 . ASP A 1 36 ? 5.301 -12.385 45.670 1.00 78.07 ? 917 ASP A OD2 1 +ATOM 245 N N . PRO A 1 37 ? 5.114 -17.785 44.346 1.00 64.42 ? 918 PRO A N 1 +ATOM 246 C CA . PRO A 1 37 ? 4.236 -18.760 45.027 1.00 66.82 ? 918 PRO A CA 1 +ATOM 247 C C . PRO A 1 37 ? 4.118 -18.637 46.546 1.00 73.47 ? 918 PRO A C 1 +ATOM 248 O O . PRO A 1 37 ? 3.219 -19.254 47.115 1.00 75.80 ? 918 PRO A O 1 +ATOM 249 C CB . PRO A 1 37 ? 4.789 -20.115 44.588 1.00 68.27 ? 918 PRO A CB 1 +ATOM 250 C CG . PRO A 1 37 ? 6.214 -19.859 44.293 1.00 70.84 ? 918 PRO A CG 1 +ATOM 251 C CD . PRO A 1 37 ? 6.328 -18.439 43.813 1.00 64.53 ? 918 PRO A CD 1 +ATOM 252 N N . THR A 1 38 ? 4.997 -17.846 47.203 1.00 69.97 ? 919 THR A N 1 +ATOM 253 C CA . THR A 1 38 ? 4.944 -17.633 48.663 1.00 72.39 ? 919 THR A CA 1 +ATOM 254 C C . THR A 1 38 ? 4.343 -16.269 49.054 1.00 77.94 ? 919 THR A C 1 +ATOM 255 O O . THR A 1 38 ? 4.118 -16.025 50.240 1.00 81.08 ? 919 THR A O 1 +ATOM 256 C CB . THR A 1 38 ? 6.298 -17.910 49.354 1.00 78.17 ? 919 THR A CB 1 +ATOM 257 O OG1 . THR A 1 38 ? 7.295 -16.993 48.898 1.00 73.71 ? 919 THR A OG1 1 +ATOM 258 C CG2 . THR A 1 38 ? 6.766 -19.357 49.204 1.00 76.59 ? 919 THR A CG2 1 +ATOM 259 N N . ASN A 1 39 ? 4.063 -15.397 48.051 1.00 72.49 ? 920 ASN A N 1 +ATOM 260 C CA . ASN A 1 39 ? 3.489 -14.050 48.203 1.00 72.55 ? 920 ASN A CA 1 +ATOM 261 C C . ASN A 1 39 ? 4.318 -13.104 49.092 1.00 76.77 ? 920 ASN A C 1 +ATOM 262 O O . ASN A 1 39 ? 3.795 -12.520 50.048 1.00 79.12 ? 920 ASN A O 1 +ATOM 263 C CB . ASN A 1 39 ? 1.995 -14.090 48.602 1.00 74.46 ? 920 ASN A CB 1 +ATOM 264 C CG . ASN A 1 39 ? 1.061 -14.671 47.563 1.00 99.29 ? 920 ASN A CG 1 +ATOM 265 O OD1 . ASN A 1 39 ? 1.315 -14.639 46.349 1.00 91.27 ? 920 ASN A OD1 1 +ATOM 266 N ND2 . ASN A 1 39 ? -0.076 -15.177 48.021 1.00 93.63 ? 920 ASN A ND2 1 +ATOM 267 N N . ASP A 1 40 ? 5.615 -12.953 48.769 1.00 70.83 ? 921 ASP A N 1 +ATOM 268 C CA . ASP A 1 40 ? 6.512 -12.050 49.501 1.00 71.58 ? 921 ASP A CA 1 +ATOM 269 C C . ASP A 1 40 ? 6.526 -10.631 48.902 1.00 75.82 ? 921 ASP A C 1 +ATOM 270 O O . ASP A 1 40 ? 7.207 -9.741 49.420 1.00 75.79 ? 921 ASP A O 1 +ATOM 271 C CB . ASP A 1 40 ? 7.932 -12.633 49.630 1.00 72.29 ? 921 ASP A CB 1 +ATOM 272 C CG . ASP A 1 40 ? 8.573 -13.121 48.345 1.00 77.15 ? 921 ASP A CG 1 +ATOM 273 O OD1 . ASP A 1 40 ? 9.156 -14.224 48.359 1.00 77.53 ? 921 ASP A OD1 1 +ATOM 274 O OD2 . ASP A 1 40 ? 8.517 -12.383 47.329 1.00 78.23 ? 921 ASP A OD2 1 +ATOM 275 N N . GLY A 1 41 ? 5.791 -10.452 47.803 1.00 72.33 ? 922 GLY A N 1 +ATOM 276 C CA . GLY A 1 41 ? 5.669 -9.179 47.101 1.00 72.28 ? 922 GLY A CA 1 +ATOM 277 C C . GLY A 1 41 ? 6.829 -8.798 46.202 1.00 75.71 ? 922 GLY A C 1 +ATOM 278 O O . GLY A 1 41 ? 6.770 -7.749 45.558 1.00 76.18 ? 922 GLY A O 1 +ATOM 279 N N . THR A 1 42 ? 7.894 -9.625 46.155 1.00 70.80 ? 923 THR A N 1 +ATOM 280 C CA . THR A 1 42 ? 9.060 -9.368 45.304 1.00 68.98 ? 923 THR A CA 1 +ATOM 281 C C . THR A 1 42 ? 9.162 -10.432 44.217 1.00 68.90 ? 923 THR A C 1 +ATOM 282 O O . THR A 1 42 ? 9.247 -10.089 43.038 1.00 67.53 ? 923 THR A O 1 +ATOM 283 C CB . THR A 1 42 ? 10.363 -9.258 46.120 1.00 81.40 ? 923 THR A CB 1 +ATOM 284 O OG1 . THR A 1 42 ? 10.604 -10.495 46.785 1.00 84.41 ? 923 THR A OG1 1 +ATOM 285 C CG2 . THR A 1 42 ? 10.344 -8.108 47.122 1.00 82.64 ? 923 THR A CG2 1 +ATOM 286 N N . GLY A 1 43 ? 9.149 -11.702 44.632 1.00 64.10 ? 924 GLY A N 1 +ATOM 287 C CA . GLY A 1 43 ? 9.233 -12.876 43.767 1.00 61.44 ? 924 GLY A CA 1 +ATOM 288 C C . GLY A 1 43 ? 10.521 -12.986 42.975 1.00 63.04 ? 924 GLY A C 1 +ATOM 289 O O . GLY A 1 43 ? 11.527 -12.352 43.310 1.00 62.60 ? 924 GLY A O 1 +ATOM 290 N N . GLU A 1 44 ? 10.486 -13.808 41.914 1.00 58.40 ? 925 GLU A N 1 +ATOM 291 C CA . GLU A 1 44 ? 11.597 -14.002 40.983 1.00 56.68 ? 925 GLU A CA 1 +ATOM 292 C C . GLU A 1 44 ? 11.134 -13.832 39.540 1.00 60.00 ? 925 GLU A C 1 +ATOM 293 O O . GLU A 1 44 ? 10.123 -14.414 39.129 1.00 58.93 ? 925 GLU A O 1 +ATOM 294 C CB . GLU A 1 44 ? 12.351 -15.327 41.206 1.00 57.48 ? 925 GLU A CB 1 +ATOM 295 C CG . GLU A 1 44 ? 11.519 -16.591 41.076 1.00 66.50 ? 925 GLU A CG 1 +ATOM 296 C CD . GLU A 1 44 ? 12.262 -17.853 41.447 1.00 79.19 ? 925 GLU A CD 1 +ATOM 297 O OE1 . GLU A 1 44 ? 12.755 -17.938 42.595 1.00 70.48 ? 925 GLU A OE1 1 +ATOM 298 O OE2 . GLU A 1 44 ? 12.342 -18.764 40.593 1.00 72.73 ? 925 GLU A OE2 1 +ATOM 299 N N . MET A 1 45 ? 11.867 -13.007 38.783 1.00 56.81 ? 926 MET A N 1 +ATOM 300 C CA . MET A 1 45 ? 11.544 -12.731 37.391 1.00 56.06 ? 926 MET A CA 1 +ATOM 301 C C . MET A 1 45 ? 11.994 -13.834 36.441 1.00 56.17 ? 926 MET A C 1 +ATOM 302 O O . MET A 1 45 ? 13.129 -14.304 36.519 1.00 54.42 ? 926 MET A O 1 +ATOM 303 C CB . MET A 1 45 ? 12.048 -11.348 36.963 1.00 59.61 ? 926 MET A CB 1 +ATOM 304 C CG . MET A 1 45 ? 11.342 -10.205 37.677 1.00 65.99 ? 926 MET A CG 1 +ATOM 305 S SD . MET A 1 45 ? 9.608 -9.924 37.230 1.00 71.29 ? 926 MET A SD 1 +ATOM 306 C CE . MET A 1 45 ? 9.203 -8.644 38.438 1.00 70.40 ? 926 MET A CE 1 +ATOM 307 N N . VAL A 1 46 ? 11.062 -14.282 35.588 1.00 51.47 ? 927 VAL A N 1 +ATOM 308 C CA . VAL A 1 46 ? 11.253 -15.330 34.586 1.00 49.95 ? 927 VAL A CA 1 +ATOM 309 C C . VAL A 1 46 ? 10.684 -14.875 33.232 1.00 54.22 ? 927 VAL A C 1 +ATOM 310 O O . VAL A 1 46 ? 9.847 -13.966 33.179 1.00 54.43 ? 927 VAL A O 1 +ATOM 311 C CB . VAL A 1 46 ? 10.673 -16.718 35.019 1.00 53.62 ? 927 VAL A CB 1 +ATOM 312 C CG1 . VAL A 1 46 ? 11.322 -17.233 36.303 1.00 53.60 ? 927 VAL A CG1 1 +ATOM 313 C CG2 . VAL A 1 46 ? 9.148 -16.695 35.144 1.00 54.34 ? 927 VAL A CG2 1 +ATOM 314 N N . ALA A 1 47 ? 11.130 -15.514 32.142 1.00 49.97 ? 928 ALA A N 1 +ATOM 315 C CA . ALA A 1 47 ? 10.623 -15.224 30.802 1.00 49.08 ? 928 ALA A CA 1 +ATOM 316 C C . ALA A 1 47 ? 9.637 -16.314 30.398 1.00 53.54 ? 928 ALA A C 1 +ATOM 317 O O . ALA A 1 47 ? 9.939 -17.504 30.531 1.00 52.54 ? 928 ALA A O 1 +ATOM 318 C CB . ALA A 1 47 ? 11.765 -15.144 29.809 1.00 48.83 ? 928 ALA A CB 1 +ATOM 319 N N . VAL A 1 48 ? 8.438 -15.912 29.944 1.00 51.69 ? 929 VAL A N 1 +ATOM 320 C CA . VAL A 1 48 ? 7.411 -16.871 29.529 1.00 52.13 ? 929 VAL A CA 1 +ATOM 321 C C . VAL A 1 48 ? 7.126 -16.765 28.026 1.00 56.62 ? 929 VAL A C 1 +ATOM 322 O O . VAL A 1 48 ? 6.740 -15.701 27.529 1.00 56.12 ? 929 VAL A O 1 +ATOM 323 C CB . VAL A 1 48 ? 6.118 -16.844 30.403 1.00 57.11 ? 929 VAL A CB 1 +ATOM 324 C CG1 . VAL A 1 48 ? 5.123 -17.911 29.952 1.00 57.45 ? 929 VAL A CG1 1 +ATOM 325 C CG2 . VAL A 1 48 ? 6.441 -17.021 31.888 1.00 56.99 ? 929 VAL A CG2 1 +ATOM 326 N N . LYS A 1 49 ? 7.342 -17.875 27.311 1.00 53.73 ? 930 LYS A N 1 +ATOM 327 C CA . LYS A 1 49 ? 7.091 -17.973 25.880 1.00 54.17 ? 930 LYS A CA 1 +ATOM 328 C C . LYS A 1 49 ? 5.775 -18.728 25.697 1.00 59.18 ? 930 LYS A C 1 +ATOM 329 O O . LYS A 1 49 ? 5.566 -19.747 26.357 1.00 58.60 ? 930 LYS A O 1 +ATOM 330 C CB . LYS A 1 49 ? 8.254 -18.685 25.160 1.00 56.09 ? 930 LYS A CB 1 +ATOM 331 C CG . LYS A 1 49 ? 8.362 -18.327 23.672 1.00 70.63 ? 930 LYS A CG 1 +ATOM 332 C CD . LYS A 1 49 ? 9.756 -18.605 23.098 1.00 79.66 ? 930 LYS A CD 1 +ATOM 333 C CE . LYS A 1 49 ? 9.962 -17.934 21.756 1.00 88.50 ? 930 LYS A CE 1 +ATOM 334 N NZ . LYS A 1 49 ? 11.275 -18.270 21.144 1.00 90.05 ? 930 LYS A NZ 1 +ATOM 335 N N . ALA A 1 50 ? 4.875 -18.210 24.840 1.00 57.22 ? 931 ALA A N 1 +ATOM 336 C CA . ALA A 1 50 ? 3.573 -18.837 24.600 1.00 58.93 ? 931 ALA A CA 1 +ATOM 337 C C . ALA A 1 50 ? 3.154 -18.867 23.134 1.00 64.58 ? 931 ALA A C 1 +ATOM 338 O O . ALA A 1 50 ? 3.252 -17.849 22.441 1.00 64.25 ? 931 ALA A O 1 +ATOM 339 C CB . ALA A 1 50 ? 2.500 -18.151 25.433 1.00 60.42 ? 931 ALA A CB 1 +ATOM 340 N N . LEU A 1 51 ? 2.683 -20.057 22.681 1.00 62.94 ? 932 LEU A N 1 +ATOM 341 C CA . LEU A 1 51 ? 2.118 -20.391 21.361 1.00 95.49 ? 932 LEU A CA 1 +ATOM 342 C C . LEU A 1 51 ? 2.947 -19.936 20.160 1.00 137.93 ? 932 LEU A C 1 +ATOM 343 O O . LEU A 1 51 ? 2.782 -20.457 19.055 1.00 103.73 ? 932 LEU A O 1 +ATOM 344 C CB . LEU A 1 51 ? 0.658 -19.907 21.243 1.00 96.96 ? 932 LEU A CB 1 +ATOM 345 C CG . LEU A 1 51 ? -0.302 -20.369 22.348 1.00 102.82 ? 932 LEU A CG 1 +ATOM 346 C CD1 . LEU A 1 51 ? -0.974 -19.184 23.027 1.00 103.20 ? 932 LEU A CD1 1 +ATOM 347 C CD2 . LEU A 1 51 ? -1.335 -21.337 21.811 1.00 107.99 ? 932 LEU A CD2 1 +ATOM 348 N N . TRP A 1 63 ? 3.892 -27.958 19.829 1.00 79.24 ? 944 TRP A N 1 +ATOM 349 C CA . TRP A 1 63 ? 4.982 -27.138 20.358 1.00 76.36 ? 944 TRP A CA 1 +ATOM 350 C C . TRP A 1 63 ? 5.904 -27.918 21.317 1.00 78.78 ? 944 TRP A C 1 +ATOM 351 O O . TRP A 1 63 ? 6.949 -27.405 21.734 1.00 75.84 ? 944 TRP A O 1 +ATOM 352 C CB . TRP A 1 63 ? 4.417 -25.867 21.024 1.00 73.99 ? 944 TRP A CB 1 +ATOM 353 C CG . TRP A 1 63 ? 5.441 -24.817 21.336 0.50 72.48 ? 944 TRP A CG 1 +ATOM 354 C CD1 . TRP A 1 63 ? 6.575 -24.539 20.631 0.50 74.36 ? 944 TRP A CD1 1 +ATOM 355 C CD2 . TRP A 1 63 ? 5.406 -23.886 22.422 0.50 71.07 ? 944 TRP A CD2 1 +ATOM 356 N NE1 . TRP A 1 63 ? 7.269 -23.521 21.235 0.50 72.04 ? 944 TRP A NE1 1 +ATOM 357 C CE2 . TRP A 1 63 ? 6.568 -23.089 22.327 0.50 73.25 ? 944 TRP A CE2 1 +ATOM 358 C CE3 . TRP A 1 63 ? 4.508 -23.650 23.474 0.50 72.52 ? 944 TRP A CE3 1 +ATOM 359 C CZ2 . TRP A 1 63 ? 6.856 -22.074 23.241 0.50 71.33 ? 944 TRP A CZ2 1 +ATOM 360 C CZ3 . TRP A 1 63 ? 4.795 -22.641 24.377 0.50 72.65 ? 944 TRP A CZ3 1 +ATOM 361 C CH2 . TRP A 1 63 ? 5.958 -21.871 24.257 0.50 71.72 ? 944 TRP A CH2 1 +ATOM 362 N N . LYS A 1 64 ? 5.535 -29.179 21.620 1.00 77.06 ? 945 LYS A N 1 +ATOM 363 C CA . LYS A 1 64 ? 6.282 -30.064 22.519 1.00 76.40 ? 945 LYS A CA 1 +ATOM 364 C C . LYS A 1 64 ? 7.737 -30.339 22.126 1.00 76.90 ? 945 LYS A C 1 +ATOM 365 O O . LYS A 1 64 ? 8.555 -30.533 23.025 1.00 75.84 ? 945 LYS A O 1 +ATOM 366 C CB . LYS A 1 64 ? 5.495 -31.344 22.850 1.00 81.90 ? 945 LYS A CB 1 +ATOM 367 C CG . LYS A 1 64 ? 4.461 -31.116 23.949 1.00 98.62 ? 945 LYS A CG 1 +ATOM 368 C CD . LYS A 1 64 ? 3.489 -32.277 24.108 1.00 113.13 ? 945 LYS A CD 1 +ATOM 369 C CE . LYS A 1 64 ? 2.463 -31.997 25.185 1.00 119.90 ? 945 LYS A CE 1 +ATOM 370 N NZ . LYS A 1 64 ? 1.568 -33.160 25.417 1.00 129.20 ? 945 LYS A NZ 1 +ATOM 371 N N . GLN A 1 65 ? 8.073 -30.292 20.812 1.00 71.56 ? 946 GLN A N 1 +ATOM 372 C CA . GLN A 1 65 ? 9.446 -30.506 20.329 1.00 69.37 ? 946 GLN A CA 1 +ATOM 373 C C . GLN A 1 65 ? 10.443 -29.413 20.752 1.00 66.78 ? 946 GLN A C 1 +ATOM 374 O O . GLN A 1 65 ? 11.522 -29.758 21.230 1.00 65.20 ? 946 GLN A O 1 +ATOM 375 C CB . GLN A 1 65 ? 9.518 -30.826 18.821 1.00 72.19 ? 946 GLN A CB 1 +ATOM 376 C CG . GLN A 1 65 ? 9.109 -29.694 17.868 1.00 85.00 ? 946 GLN A CG 1 +ATOM 377 C CD . GLN A 1 65 ? 10.113 -29.508 16.749 1.00 94.64 ? 946 GLN A CD 1 +ATOM 378 O OE1 . GLN A 1 65 ? 10.332 -30.391 15.911 1.00 85.93 ? 946 GLN A OE1 1 +ATOM 379 N NE2 . GLN A 1 65 ? 10.735 -28.340 16.702 1.00 85.00 ? 946 GLN A NE2 1 +ATOM 380 N N . GLU A 1 66 ? 10.076 -28.111 20.617 1.00 59.55 ? 947 GLU A N 1 +ATOM 381 C CA . GLU A 1 66 ? 10.934 -26.992 21.031 1.00 56.15 ? 947 GLU A CA 1 +ATOM 382 C C . GLU A 1 66 ? 11.242 -27.097 22.529 1.00 59.91 ? 947 GLU A C 1 +ATOM 383 O O . GLU A 1 66 ? 12.403 -26.958 22.927 1.00 59.06 ? 947 GLU A O 1 +ATOM 384 C CB . GLU A 1 66 ? 10.306 -25.623 20.687 1.00 56.42 ? 947 GLU A CB 1 +ATOM 385 C CG . GLU A 1 66 ? 11.116 -24.443 21.217 1.00 57.93 ? 947 GLU A CG 1 +ATOM 386 C CD . GLU A 1 66 ? 10.615 -23.033 20.974 1.00 61.11 ? 947 GLU A CD 1 +ATOM 387 O OE1 . GLU A 1 66 ? 11.278 -22.081 21.446 1.00 50.29 ? 947 GLU A OE1 1 +ATOM 388 O OE2 . GLU A 1 66 ? 9.585 -22.871 20.285 1.00 54.44 ? 947 GLU A OE2 1 +ATOM 389 N N . ILE A 1 67 ? 10.207 -27.385 23.343 1.00 56.51 ? 948 ILE A N 1 +ATOM 390 C CA . ILE A 1 67 ? 10.344 -27.555 24.779 1.00 55.71 ? 948 ILE A CA 1 +ATOM 391 C C . ILE A 1 67 ? 11.203 -28.790 25.079 1.00 59.37 ? 948 ILE A C 1 +ATOM 392 O O . ILE A 1 67 ? 12.144 -28.674 25.861 1.00 58.48 ? 948 ILE A O 1 +ATOM 393 C CB . ILE A 1 67 ? 8.966 -27.491 25.522 1.00 60.25 ? 948 ILE A CB 1 +ATOM 394 C CG1 . ILE A 1 67 ? 8.393 -26.046 25.463 1.00 59.93 ? 948 ILE A CG1 1 +ATOM 395 C CG2 . ILE A 1 67 ? 9.072 -27.968 26.989 1.00 60.86 ? 948 ILE A CG2 1 +ATOM 396 C CD1 . ILE A 1 67 ? 6.880 -25.914 25.449 1.00 67.85 ? 948 ILE A CD1 1 +ATOM 397 N N . ASP A 1 68 ? 10.943 -29.932 24.411 1.00 56.96 ? 949 ASP A N 1 +ATOM 398 C CA . ASP A 1 68 ? 11.735 -31.158 24.611 1.00 57.85 ? 949 ASP A CA 1 +ATOM 399 C C . ASP A 1 68 ? 13.208 -31.010 24.194 1.00 58.97 ? 949 ASP A C 1 +ATOM 400 O O . ASP A 1 68 ? 14.073 -31.657 24.796 1.00 58.07 ? 949 ASP A O 1 +ATOM 401 C CB . ASP A 1 68 ? 11.093 -32.383 23.936 1.00 62.59 ? 949 ASP A CB 1 +ATOM 402 C CG . ASP A 1 68 ? 9.885 -32.955 24.658 1.00 77.11 ? 949 ASP A CG 1 +ATOM 403 O OD1 . ASP A 1 68 ? 9.933 -33.068 25.909 1.00 78.35 ? 949 ASP A OD1 1 +ATOM 404 O OD2 . ASP A 1 68 ? 8.913 -33.341 23.972 1.00 84.90 ? 949 ASP A OD2 1 +ATOM 405 N N . ILE A 1 69 ? 13.487 -30.155 23.178 1.00 53.25 ? 950 ILE A N 1 +ATOM 406 C CA . ILE A 1 69 ? 14.847 -29.864 22.716 1.00 51.10 ? 950 ILE A CA 1 +ATOM 407 C C . ILE A 1 69 ? 15.585 -29.063 23.806 1.00 52.75 ? 950 ILE A C 1 +ATOM 408 O O . ILE A 1 69 ? 16.632 -29.515 24.276 1.00 50.78 ? 950 ILE A O 1 +ATOM 409 C CB . ILE A 1 69 ? 14.876 -29.161 21.323 1.00 53.29 ? 950 ILE A CB 1 +ATOM 410 C CG1 . ILE A 1 69 ? 14.571 -30.172 20.187 1.00 55.08 ? 950 ILE A CG1 1 +ATOM 411 C CG2 . ILE A 1 69 ? 16.226 -28.442 21.087 1.00 51.91 ? 950 ILE A CG2 1 +ATOM 412 C CD1 . ILE A 1 69 ? 14.272 -29.562 18.788 1.00 56.57 ? 950 ILE A CD1 1 +ATOM 413 N N . LEU A 1 70 ? 15.014 -27.903 24.221 1.00 49.41 ? 951 LEU A N 1 +ATOM 414 C CA . LEU A 1 70 ? 15.588 -27.028 25.246 1.00 48.96 ? 951 LEU A CA 1 +ATOM 415 C C . LEU A 1 70 ? 15.781 -27.737 26.600 1.00 53.69 ? 951 LEU A C 1 +ATOM 416 O O . LEU A 1 70 ? 16.777 -27.480 27.280 1.00 53.34 ? 951 LEU A O 1 +ATOM 417 C CB . LEU A 1 70 ? 14.795 -25.717 25.392 1.00 48.77 ? 951 LEU A CB 1 +ATOM 418 C CG . LEU A 1 70 ? 15.533 -24.569 26.108 1.00 53.25 ? 951 LEU A CG 1 +ATOM 419 C CD1 . LEU A 1 70 ? 16.536 -23.880 25.176 1.00 53.10 ? 951 LEU A CD1 1 +ATOM 420 C CD2 . LEU A 1 70 ? 14.557 -23.547 26.646 1.00 56.37 ? 951 LEU A CD2 1 +ATOM 421 N N . ARG A 1 71 ? 14.872 -28.671 26.935 1.00 50.73 ? 952 ARG A N 1 +ATOM 422 C CA . ARG A 1 71 ? 14.884 -29.505 28.138 1.00 51.74 ? 952 ARG A CA 1 +ATOM 423 C C . ARG A 1 71 ? 16.180 -30.322 28.251 1.00 55.13 ? 952 ARG A C 1 +ATOM 424 O O . ARG A 1 71 ? 16.704 -30.477 29.357 1.00 55.20 ? 952 ARG A O 1 +ATOM 425 C CB . ARG A 1 71 ? 13.702 -30.483 28.088 1.00 55.65 ? 952 ARG A CB 1 +ATOM 426 C CG . ARG A 1 71 ? 12.730 -30.374 29.243 1.00 69.47 ? 952 ARG A CG 1 +ATOM 427 C CD . ARG A 1 71 ? 11.619 -31.407 29.137 1.00 87.90 ? 952 ARG A CD 1 +ATOM 428 N NE . ARG A 1 71 ? 11.999 -32.683 29.748 1.00 102.42 ? 952 ARG A NE 1 +ATOM 429 C CZ . ARG A 1 71 ? 12.453 -33.740 29.080 1.00 119.69 ? 952 ARG A CZ 1 +ATOM 430 N NH1 . ARG A 1 71 ? 12.580 -33.696 27.758 1.00 106.91 ? 952 ARG A NH1 1 +ATOM 431 N NH2 . ARG A 1 71 ? 12.776 -34.852 29.725 1.00 109.22 ? 952 ARG A NH2 1 +ATOM 432 N N . THR A 1 72 ? 16.677 -30.861 27.109 1.00 50.38 ? 953 THR A N 1 +ATOM 433 C CA . THR A 1 72 ? 17.889 -31.692 27.036 1.00 49.66 ? 953 THR A CA 1 +ATOM 434 C C . THR A 1 72 ? 19.169 -30.860 26.915 1.00 50.20 ? 953 THR A C 1 +ATOM 435 O O . THR A 1 72 ? 20.257 -31.436 26.866 1.00 49.93 ? 953 THR A O 1 +ATOM 436 C CB . THR A 1 72 ? 17.809 -32.680 25.849 1.00 56.18 ? 953 THR A CB 1 +ATOM 437 O OG1 . THR A 1 72 ? 17.798 -31.947 24.622 1.00 52.95 ? 953 THR A OG1 1 +ATOM 438 C CG2 . THR A 1 72 ? 16.621 -33.634 25.935 1.00 55.97 ? 953 THR A CG2 1 +ATOM 439 N N . LEU A 1 73 ? 19.049 -29.523 26.835 1.00 44.23 ? 954 LEU A N 1 +ATOM 440 C CA . LEU A 1 73 ? 20.214 -28.667 26.657 1.00 42.04 ? 954 LEU A CA 1 +ATOM 441 C C . LEU A 1 73 ? 20.639 -27.969 27.926 1.00 47.24 ? 954 LEU A C 1 +ATOM 442 O O . LEU A 1 73 ? 19.838 -27.253 28.531 1.00 47.82 ? 954 LEU A O 1 +ATOM 443 C CB . LEU A 1 73 ? 19.988 -27.613 25.550 1.00 40.55 ? 954 LEU A CB 1 +ATOM 444 C CG . LEU A 1 73 ? 19.592 -28.080 24.145 1.00 44.29 ? 954 LEU A CG 1 +ATOM 445 C CD1 . LEU A 1 73 ? 19.181 -26.909 23.297 1.00 42.90 ? 954 LEU A CD1 1 +ATOM 446 C CD2 . LEU A 1 73 ? 20.696 -28.872 23.480 1.00 46.26 ? 954 LEU A CD2 1 +ATOM 447 N N A TYR A 1 74 ? 21.907 -28.134 28.316 0.50 43.86 ? 955 TYR A N 1 +ATOM 448 N N B TYR A 1 74 ? 21.910 -28.176 28.321 0.50 43.48 ? 955 TYR A N 1 +ATOM 449 C CA A TYR A 1 74 ? 22.473 -27.446 29.476 0.50 43.22 ? 955 TYR A CA 1 +ATOM 450 C CA B TYR A 1 74 ? 22.549 -27.566 29.492 0.50 42.71 ? 955 TYR A CA 1 +ATOM 451 C C A TYR A 1 74 ? 23.878 -26.977 29.107 0.50 45.00 ? 955 TYR A C 1 +ATOM 452 C C B TYR A 1 74 ? 23.903 -27.001 29.025 0.50 44.61 ? 955 TYR A C 1 +ATOM 453 O O A TYR A 1 74 ? 24.792 -27.792 28.940 0.50 45.13 ? 955 TYR A O 1 +ATOM 454 O O B TYR A 1 74 ? 24.827 -27.781 28.758 0.50 44.50 ? 955 TYR A O 1 +ATOM 455 C CB A TYR A 1 74 ? 22.427 -28.310 30.750 0.50 45.76 ? 955 TYR A CB 1 +ATOM 456 C CB B TYR A 1 74 ? 22.782 -28.599 30.624 0.50 45.02 ? 955 TYR A CB 1 +ATOM 457 C CG A TYR A 1 74 ? 22.774 -27.553 32.015 0.50 48.20 ? 955 TYR A CG 1 +ATOM 458 C CG B TYR A 1 74 ? 21.597 -29.465 30.989 0.50 47.97 ? 955 TYR A CG 1 +ATOM 459 C CD1 A TYR A 1 74 ? 23.985 -27.767 32.668 0.50 50.74 ? 955 TYR A CD1 1 +ATOM 460 C CD1 B TYR A 1 74 ? 20.736 -29.104 32.021 0.50 50.39 ? 955 TYR A CD1 1 +ATOM 461 C CD2 A TYR A 1 74 ? 21.888 -26.633 32.569 0.50 48.87 ? 955 TYR A CD2 1 +ATOM 462 C CD2 B TYR A 1 74 ? 21.383 -30.690 30.360 0.50 49.80 ? 955 TYR A CD2 1 +ATOM 463 C CE1 A TYR A 1 74 ? 24.303 -27.086 33.843 0.50 52.01 ? 955 TYR A CE1 1 +ATOM 464 C CE1 B TYR A 1 74 ? 19.658 -29.912 32.380 0.50 52.54 ? 955 TYR A CE1 1 +ATOM 465 C CE2 A TYR A 1 74 ? 22.201 -25.937 33.735 0.50 50.15 ? 955 TYR A CE2 1 +ATOM 466 C CE2 B TYR A 1 74 ? 20.304 -31.502 30.705 0.50 52.16 ? 955 TYR A CE2 1 +ATOM 467 C CZ A TYR A 1 74 ? 23.411 -26.167 34.369 0.50 58.74 ? 955 TYR A CZ 1 +ATOM 468 C CZ B TYR A 1 74 ? 19.444 -31.110 31.717 0.50 58.43 ? 955 TYR A CZ 1 +ATOM 469 O OH A TYR A 1 74 ? 23.726 -25.487 35.521 0.50 62.00 ? 955 TYR A OH 1 +ATOM 470 O OH B TYR A 1 74 ? 18.385 -31.910 32.067 0.50 59.41 ? 955 TYR A OH 1 +ATOM 471 N N . HIS A 1 75 ? 24.002 -25.659 28.877 1.00 39.01 ? 956 HIS A N 1 +ATOM 472 C CA . HIS A 1 75 ? 25.235 -24.970 28.454 1.00 37.52 ? 956 HIS A CA 1 +ATOM 473 C C . HIS A 1 75 ? 25.164 -23.491 28.853 1.00 40.68 ? 956 HIS A C 1 +ATOM 474 O O . HIS A 1 75 ? 24.086 -22.901 28.817 1.00 39.92 ? 956 HIS A O 1 +ATOM 475 C CB . HIS A 1 75 ? 25.451 -25.104 26.930 1.00 37.76 ? 956 HIS A CB 1 +ATOM 476 C CG . HIS A 1 75 ? 26.794 -24.640 26.468 1.00 40.93 ? 956 HIS A CG 1 +ATOM 477 N ND1 . HIS A 1 75 ? 27.008 -23.330 26.085 1.00 42.40 ? 956 HIS A ND1 1 +ATOM 478 C CD2 . HIS A 1 75 ? 27.959 -25.321 26.367 1.00 42.57 ? 956 HIS A CD2 1 +ATOM 479 C CE1 . HIS A 1 75 ? 28.289 -23.255 25.764 1.00 41.91 ? 956 HIS A CE1 1 +ATOM 480 N NE2 . HIS A 1 75 ? 28.899 -24.429 25.913 1.00 42.36 ? 956 HIS A NE2 1 +ATOM 481 N N . GLU A 1 76 ? 26.321 -22.893 29.205 1.00 36.93 ? 957 GLU A N 1 +ATOM 482 C CA . GLU A 1 76 ? 26.459 -21.488 29.620 1.00 36.00 ? 957 GLU A CA 1 +ATOM 483 C C . GLU A 1 76 ? 26.130 -20.469 28.513 1.00 39.14 ? 957 GLU A C 1 +ATOM 484 O O . GLU A 1 76 ? 25.941 -19.295 28.823 1.00 38.57 ? 957 GLU A O 1 +ATOM 485 C CB . GLU A 1 76 ? 27.858 -21.222 30.210 1.00 37.66 ? 957 GLU A CB 1 +ATOM 486 C CG . GLU A 1 76 ? 28.996 -21.297 29.194 1.00 46.69 ? 957 GLU A CG 1 +ATOM 487 C CD . GLU A 1 76 ? 30.358 -20.856 29.693 1.00 67.35 ? 957 GLU A CD 1 +ATOM 488 O OE1 . GLU A 1 76 ? 31.346 -21.571 29.408 1.00 68.56 ? 957 GLU A OE1 1 +ATOM 489 O OE2 . GLU A 1 76 ? 30.448 -19.785 30.338 1.00 57.44 ? 957 GLU A OE2 1 +ATOM 490 N N . HIS A 1 77 ? 26.106 -20.910 27.235 1.00 35.47 ? 958 HIS A N 1 +ATOM 491 C CA . HIS A 1 77 ? 25.800 -20.063 26.079 1.00 35.84 ? 958 HIS A CA 1 +ATOM 492 C C . HIS A 1 77 ? 24.491 -20.428 25.355 1.00 40.11 ? 958 HIS A C 1 +ATOM 493 O O . HIS A 1 77 ? 24.279 -20.052 24.199 1.00 41.04 ? 958 HIS A O 1 +ATOM 494 C CB . HIS A 1 77 ? 27.018 -19.895 25.149 1.00 37.10 ? 958 HIS A CB 1 +ATOM 495 C CG . HIS A 1 77 ? 28.138 -19.145 25.807 1.00 41.44 ? 958 HIS A CG 1 +ATOM 496 N ND1 . HIS A 1 77 ? 27.938 -17.895 26.375 1.00 43.96 ? 958 HIS A ND1 1 +ATOM 497 C CD2 . HIS A 1 77 ? 29.428 -19.501 25.991 1.00 43.39 ? 958 HIS A CD2 1 +ATOM 498 C CE1 . HIS A 1 77 ? 29.099 -17.546 26.896 1.00 43.84 ? 958 HIS A CE1 1 +ATOM 499 N NE2 . HIS A 1 77 ? 30.028 -18.472 26.678 1.00 44.01 ? 958 HIS A NE2 1 +ATOM 500 N N . ILE A 1 78 ? 23.595 -21.122 26.076 1.00 35.31 ? 959 ILE A N 1 +ATOM 501 C CA . ILE A 1 78 ? 22.262 -21.506 25.616 1.00 34.86 ? 959 ILE A CA 1 +ATOM 502 C C . ILE A 1 78 ? 21.265 -21.071 26.692 1.00 40.89 ? 959 ILE A C 1 +ATOM 503 O O . ILE A 1 78 ? 21.470 -21.375 27.880 1.00 39.15 ? 959 ILE A O 1 +ATOM 504 C CB . ILE A 1 78 ? 22.161 -23.026 25.276 1.00 37.65 ? 959 ILE A CB 1 +ATOM 505 C CG1 . ILE A 1 78 ? 22.930 -23.338 23.947 1.00 37.27 ? 959 ILE A CG1 1 +ATOM 506 C CG2 . ILE A 1 78 ? 20.678 -23.506 25.195 1.00 38.49 ? 959 ILE A CG2 1 +ATOM 507 C CD1 . ILE A 1 78 ? 23.033 -24.790 23.582 1.00 33.15 ? 959 ILE A CD1 1 +ATOM 508 N N . ILE A 1 79 ? 20.190 -20.353 26.276 1.00 39.44 ? 960 ILE A N 1 +ATOM 509 C CA . ILE A 1 79 ? 19.138 -19.910 27.192 1.00 39.51 ? 960 ILE A CA 1 +ATOM 510 C C . ILE A 1 79 ? 18.646 -21.076 28.036 1.00 43.22 ? 960 ILE A C 1 +ATOM 511 O O . ILE A 1 79 ? 18.404 -22.173 27.530 1.00 42.08 ? 960 ILE A O 1 +ATOM 512 C CB . ILE A 1 79 ? 18.024 -19.069 26.506 1.00 43.28 ? 960 ILE A CB 1 +ATOM 513 C CG1 . ILE A 1 79 ? 17.264 -18.184 27.517 1.00 43.54 ? 960 ILE A CG1 1 +ATOM 514 C CG2 . ILE A 1 79 ? 17.088 -19.907 25.629 1.00 45.13 ? 960 ILE A CG2 1 +ATOM 515 C CD1 . ILE A 1 79 ? 17.962 -16.836 27.819 1.00 45.21 ? 960 ILE A CD1 1 +ATOM 516 N N . LYS A 1 80 ? 18.641 -20.863 29.339 1.00 42.04 ? 961 LYS A N 1 +ATOM 517 C CA . LYS A 1 80 ? 18.314 -21.879 30.328 1.00 43.18 ? 961 LYS A CA 1 +ATOM 518 C C . LYS A 1 80 ? 16.822 -22.154 30.482 1.00 50.97 ? 961 LYS A C 1 +ATOM 519 O O . LYS A 1 80 ? 16.037 -21.246 30.785 1.00 51.98 ? 961 LYS A O 1 +ATOM 520 C CB . LYS A 1 80 ? 18.979 -21.509 31.668 1.00 45.22 ? 961 LYS A CB 1 +ATOM 521 C CG . LYS A 1 80 ? 18.596 -22.346 32.880 1.00 59.51 ? 961 LYS A CG 1 +ATOM 522 C CD . LYS A 1 80 ? 18.675 -21.524 34.195 1.00 69.29 ? 961 LYS A CD 1 +ATOM 523 C CE . LYS A 1 80 ? 20.051 -20.998 34.557 1.00 70.05 ? 961 LYS A CE 1 +ATOM 524 N NZ . LYS A 1 80 ? 21.033 -22.087 34.802 1.00 75.68 ? 961 LYS A NZ 1 +ATOM 525 N N . TYR A 1 81 ? 16.453 -23.436 30.307 1.00 48.49 ? 962 TYR A N 1 +ATOM 526 C CA . TYR A 1 81 ? 15.112 -23.963 30.523 1.00 49.54 ? 962 TYR A CA 1 +ATOM 527 C C . TYR A 1 81 ? 14.917 -23.989 32.045 1.00 55.45 ? 962 TYR A C 1 +ATOM 528 O O . TYR A 1 81 ? 15.804 -24.456 32.768 1.00 55.25 ? 962 TYR A O 1 +ATOM 529 C CB . TYR A 1 81 ? 15.026 -25.392 29.953 1.00 51.49 ? 962 TYR A CB 1 +ATOM 530 C CG . TYR A 1 81 ? 13.730 -26.123 30.233 1.00 55.72 ? 962 TYR A CG 1 +ATOM 531 C CD1 . TYR A 1 81 ? 12.655 -26.040 29.352 1.00 58.37 ? 962 TYR A CD1 1 +ATOM 532 C CD2 . TYR A 1 81 ? 13.601 -26.960 31.340 1.00 58.08 ? 962 TYR A CD2 1 +ATOM 533 C CE1 . TYR A 1 81 ? 11.468 -26.736 29.587 1.00 60.87 ? 962 TYR A CE1 1 +ATOM 534 C CE2 . TYR A 1 81 ? 12.417 -27.656 31.590 1.00 60.79 ? 962 TYR A CE2 1 +ATOM 535 C CZ . TYR A 1 81 ? 11.350 -27.538 30.710 1.00 69.39 ? 962 TYR A CZ 1 +ATOM 536 O OH . TYR A 1 81 ? 10.188 -28.240 30.929 1.00 72.94 ? 962 TYR A OH 1 +ATOM 537 N N . LYS A 1 82 ? 13.773 -23.483 32.528 1.00 53.65 ? 963 LYS A N 1 +ATOM 538 C CA . LYS A 1 82 ? 13.455 -23.484 33.964 1.00 54.49 ? 963 LYS A CA 1 +ATOM 539 C C . LYS A 1 82 ? 12.316 -24.463 34.279 1.00 63.84 ? 963 LYS A C 1 +ATOM 540 O O . LYS A 1 82 ? 12.332 -25.134 35.316 1.00 65.52 ? 963 LYS A O 1 +ATOM 541 C CB . LYS A 1 82 ? 13.150 -22.069 34.472 1.00 55.11 ? 963 LYS A CB 1 +ATOM 542 C CG . LYS A 1 82 ? 14.379 -21.162 34.509 1.00 59.37 ? 963 LYS A CG 1 +ATOM 543 C CD . LYS A 1 82 ? 14.225 -20.002 35.484 1.00 71.09 ? 963 LYS A CD 1 +ATOM 544 C CE . LYS A 1 82 ? 14.635 -20.378 36.891 1.00 79.34 ? 963 LYS A CE 1 +ATOM 545 N NZ . LYS A 1 82 ? 14.200 -19.363 37.878 1.00 89.95 ? 963 LYS A NZ 1 +ATOM 546 N N . GLY A 1 83 ? 11.359 -24.550 33.363 1.00 63.05 ? 964 GLY A N 1 +ATOM 547 C CA . GLY A 1 83 ? 10.205 -25.432 33.466 1.00 65.72 ? 964 GLY A CA 1 +ATOM 548 C C . GLY A 1 83 ? 9.082 -25.033 32.534 1.00 71.99 ? 964 GLY A C 1 +ATOM 549 O O . GLY A 1 83 ? 9.305 -24.313 31.556 1.00 69.93 ? 964 GLY A O 1 +ATOM 550 N N . CYS A 1 84 ? 7.863 -25.505 32.839 1.00 72.84 ? 965 CYS A N 1 +ATOM 551 C CA . CYS A 1 84 ? 6.659 -25.209 32.064 1.00 74.35 ? 965 CYS A CA 1 +ATOM 552 C C . CYS A 1 84 ? 5.372 -25.197 32.918 1.00 79.07 ? 965 CYS A C 1 +ATOM 553 O O . CYS A 1 84 ? 5.352 -25.715 34.040 1.00 79.67 ? 965 CYS A O 1 +ATOM 554 C CB . CYS A 1 84 ? 6.538 -26.126 30.847 1.00 75.96 ? 965 CYS A CB 1 +ATOM 555 S SG . CYS A 1 84 ? 6.227 -27.865 31.251 1.00 82.95 ? 965 CYS A SG 1 +ATOM 556 N N . CYS A 1 85 ? 4.309 -24.586 32.368 1.00 75.18 ? 966 CYS A N 1 +ATOM 557 C CA . CYS A 1 85 ? 3.001 -24.420 33.004 1.00 76.39 ? 966 CYS A CA 1 +ATOM 558 C C . CYS A 1 85 ? 1.868 -24.673 32.013 1.00 79.94 ? 966 CYS A C 1 +ATOM 559 O O . CYS A 1 85 ? 2.031 -24.417 30.819 1.00 78.52 ? 966 CYS A O 1 +ATOM 560 C CB . CYS A 1 85 ? 2.896 -23.026 33.612 1.00 76.05 ? 966 CYS A CB 1 +ATOM 561 S SG . CYS A 1 85 ? 3.324 -21.692 32.465 1.00 77.75 ? 966 CYS A SG 1 +ATOM 562 N N . GLU A 1 86 ? 0.708 -25.139 32.519 1.00 77.58 ? 967 GLU A N 1 +ATOM 563 C CA . GLU A 1 86 ? -0.478 -25.427 31.708 1.00 91.70 ? 967 GLU A CA 1 +ATOM 564 C C . GLU A 1 86 ? -1.168 -24.158 31.208 1.00 125.17 ? 967 GLU A C 1 +ATOM 565 O O . GLU A 1 86 ? -1.090 -23.112 31.849 1.00 91.07 ? 967 GLU A O 1 +ATOM 566 C CB . GLU A 1 86 ? -1.466 -26.315 32.476 1.00 95.84 ? 967 GLU A CB 1 +ATOM 567 C CG . GLU A 1 86 ? -1.028 -27.765 32.571 1.00 106.05 ? 967 GLU A CG 1 +ATOM 568 C CD . GLU A 1 86 ? -2.064 -28.700 33.162 1.00 128.20 ? 967 GLU A CD 1 +ATOM 569 O OE1 . GLU A 1 86 ? -1.887 -29.120 34.328 1.00 122.30 ? 967 GLU A OE1 1 +ATOM 570 O OE2 . GLU A 1 86 ? -3.052 -29.015 32.460 1.00 124.27 ? 967 GLU A OE2 1 +ATOM 571 N N . LEU A 1 93 ? -0.056 -24.920 26.922 1.00 82.07 ? 974 LEU A N 1 +ATOM 572 C CA . LEU A 1 93 ? 1.261 -25.016 27.553 1.00 80.03 ? 974 LEU A CA 1 +ATOM 573 C C . LEU A 1 93 ? 2.136 -23.813 27.199 1.00 79.80 ? 974 LEU A C 1 +ATOM 574 O O . LEU A 1 93 ? 2.140 -23.374 26.045 1.00 79.51 ? 974 LEU A O 1 +ATOM 575 C CB . LEU A 1 93 ? 1.959 -26.334 27.157 1.00 80.60 ? 974 LEU A CB 1 +ATOM 576 C CG . LEU A 1 93 ? 3.194 -26.756 27.964 1.00 84.11 ? 974 LEU A CG 1 +ATOM 577 C CD1 . LEU A 1 93 ? 2.807 -27.381 29.290 1.00 85.79 ? 974 LEU A CD1 1 +ATOM 578 C CD2 . LEU A 1 93 ? 4.011 -27.761 27.194 1.00 87.01 ? 974 LEU A CD2 1 +ATOM 579 N N . GLN A 1 94 ? 2.863 -23.285 28.203 1.00 72.50 ? 975 GLN A N 1 +ATOM 580 C CA . GLN A 1 94 ? 3.763 -22.135 28.069 1.00 69.41 ? 975 GLN A CA 1 +ATOM 581 C C . GLN A 1 94 ? 5.171 -22.512 28.529 1.00 69.40 ? 975 GLN A C 1 +ATOM 582 O O . GLN A 1 94 ? 5.320 -23.280 29.481 1.00 70.03 ? 975 GLN A O 1 +ATOM 583 C CB . GLN A 1 94 ? 3.256 -20.936 28.890 1.00 70.90 ? 975 GLN A CB 1 +ATOM 584 C CG . GLN A 1 94 ? 1.935 -20.326 28.420 1.00 88.15 ? 975 GLN A CG 1 +ATOM 585 C CD . GLN A 1 94 ? 1.531 -19.138 29.265 1.00 101.43 ? 975 GLN A CD 1 +ATOM 586 O OE1 . GLN A 1 94 ? 0.959 -19.284 30.347 1.00 96.50 ? 975 GLN A OE1 1 +ATOM 587 N NE2 . GLN A 1 94 ? 1.808 -17.932 28.786 1.00 89.84 ? 975 GLN A NE2 1 +ATOM 588 N N . LEU A 1 95 ? 6.202 -21.972 27.861 1.00 61.56 ? 976 LEU A N 1 +ATOM 589 C CA . LEU A 1 95 ? 7.595 -22.251 28.202 1.00 58.56 ? 976 LEU A CA 1 +ATOM 590 C C . LEU A 1 95 ? 8.155 -21.225 29.184 1.00 58.91 ? 976 LEU A C 1 +ATOM 591 O O . LEU A 1 95 ? 8.061 -20.023 28.942 1.00 58.22 ? 976 LEU A O 1 +ATOM 592 C CB . LEU A 1 95 ? 8.462 -22.346 26.923 1.00 57.54 ? 976 LEU A CB 1 +ATOM 593 C CG . LEU A 1 95 ? 9.987 -22.474 27.072 1.00 60.56 ? 976 LEU A CG 1 +ATOM 594 C CD1 . LEU A 1 95 ? 10.379 -23.722 27.839 1.00 60.24 ? 976 LEU A CD1 1 +ATOM 595 C CD2 . LEU A 1 95 ? 10.659 -22.481 25.706 1.00 63.08 ? 976 LEU A CD2 1 +ATOM 596 N N . VAL A 1 96 ? 8.749 -21.707 30.284 1.00 53.77 ? 977 VAL A N 1 +ATOM 597 C CA . VAL A 1 96 ? 9.379 -20.849 31.292 1.00 52.22 ? 977 VAL A CA 1 +ATOM 598 C C . VAL A 1 96 ? 10.899 -21.010 31.206 1.00 51.94 ? 977 VAL A C 1 +ATOM 599 O O . VAL A 1 96 ? 11.433 -22.114 31.380 1.00 50.61 ? 977 VAL A O 1 +ATOM 600 C CB . VAL A 1 96 ? 8.819 -21.034 32.735 1.00 56.85 ? 977 VAL A CB 1 +ATOM 601 C CG1 . VAL A 1 96 ? 9.661 -20.276 33.756 1.00 56.24 ? 977 VAL A CG1 1 +ATOM 602 C CG2 . VAL A 1 96 ? 7.360 -20.585 32.821 1.00 57.54 ? 977 VAL A CG2 1 +ATOM 603 N N . MET A 1 97 ? 11.572 -19.891 30.923 1.00 45.92 ? 978 MET A N 1 +ATOM 604 C CA . MET A 1 97 ? 13.019 -19.779 30.780 1.00 44.10 ? 978 MET A CA 1 +ATOM 605 C C . MET A 1 97 ? 13.553 -18.704 31.718 1.00 48.16 ? 978 MET A C 1 +ATOM 606 O O . MET A 1 97 ? 12.776 -17.954 32.308 1.00 48.90 ? 978 MET A O 1 +ATOM 607 C CB . MET A 1 97 ? 13.386 -19.375 29.339 1.00 45.09 ? 978 MET A CB 1 +ATOM 608 C CG . MET A 1 97 ? 12.928 -20.347 28.286 1.00 48.30 ? 978 MET A CG 1 +ATOM 609 S SD . MET A 1 97 ? 13.156 -19.665 26.632 1.00 51.78 ? 978 MET A SD 1 +ATOM 610 C CE . MET A 1 97 ? 11.961 -18.303 26.660 1.00 48.85 ? 978 MET A CE 1 +ATOM 611 N N . GLU A 1 98 ? 14.889 -18.600 31.810 1.00 43.63 ? 979 GLU A N 1 +ATOM 612 C CA . GLU A 1 98 ? 15.566 -17.567 32.592 1.00 42.97 ? 979 GLU A CA 1 +ATOM 613 C C . GLU A 1 98 ? 15.376 -16.222 31.881 1.00 44.32 ? 979 GLU A C 1 +ATOM 614 O O . GLU A 1 98 ? 15.419 -16.155 30.648 1.00 43.63 ? 979 GLU A O 1 +ATOM 615 C CB . GLU A 1 98 ? 17.072 -17.875 32.751 1.00 43.88 ? 979 GLU A CB 1 +ATOM 616 C CG . GLU A 1 98 ? 17.815 -18.064 31.426 1.00 51.06 ? 979 GLU A CG 1 +ATOM 617 C CD . GLU A 1 98 ? 19.327 -17.948 31.435 1.00 61.26 ? 979 GLU A CD 1 +ATOM 618 O OE1 . GLU A 1 98 ? 19.888 -17.422 32.423 1.00 58.56 ? 979 GLU A OE1 1 +ATOM 619 O OE2 . GLU A 1 98 ? 19.950 -18.350 30.427 1.00 43.40 ? 979 GLU A OE2 1 +ATOM 620 N N . TYR A 1 99 ? 15.159 -15.171 32.657 1.00 55.48 ? 980 TYR A N 1 +ATOM 621 C CA . TYR A 1 99 ? 15.016 -13.830 32.126 1.00 54.27 ? 980 TYR A CA 1 +ATOM 622 C C . TYR A 1 99 ? 16.378 -13.163 32.132 1.00 57.03 ? 980 TYR A C 1 +ATOM 623 O O . TYR A 1 99 ? 17.022 -13.060 33.186 1.00 58.89 ? 980 TYR A O 1 +ATOM 624 C CB . TYR A 1 99 ? 13.972 -12.994 32.907 1.00 57.41 ? 980 TYR A CB 1 +ATOM 625 C CG . TYR A 1 99 ? 14.074 -11.529 32.551 1.00 58.12 ? 980 TYR A CG 1 +ATOM 626 C CD1 . TYR A 1 99 ? 13.729 -11.076 31.279 1.00 58.85 ? 980 TYR A CD1 1 +ATOM 627 C CD2 . TYR A 1 99 ? 14.622 -10.612 33.445 1.00 59.78 ? 980 TYR A CD2 1 +ATOM 628 C CE1 . TYR A 1 99 ? 13.897 -9.744 30.916 1.00 60.04 ? 980 TYR A CE1 1 +ATOM 629 C CE2 . TYR A 1 99 ? 14.785 -9.274 33.095 1.00 61.20 ? 980 TYR A CE2 1 +ATOM 630 C CZ . TYR A 1 99 ? 14.424 -8.847 31.827 1.00 69.28 ? 980 TYR A CZ 1 +ATOM 631 O OH . TYR A 1 99 ? 14.573 -7.534 31.471 1.00 72.90 ? 980 TYR A OH 1 +ATOM 632 N N A VAL A 1 100 ? 16.823 -12.698 30.957 0.50 51.51 ? 981 VAL A N 1 +ATOM 633 N N B VAL A 1 100 ? 16.784 -12.671 30.966 0.50 51.61 ? 981 VAL A N 1 +ATOM 634 C CA A VAL A 1 100 ? 18.114 -12.017 30.809 0.50 50.06 ? 981 VAL A CA 1 +ATOM 635 C CA B VAL A 1 100 ? 18.075 -12.042 30.721 0.50 50.07 ? 981 VAL A CA 1 +ATOM 636 C C A VAL A 1 100 ? 17.952 -10.502 30.612 0.50 55.49 ? 981 VAL A C 1 +ATOM 637 C C B VAL A 1 100 ? 17.928 -10.493 30.599 0.50 55.53 ? 981 VAL A C 1 +ATOM 638 O O A VAL A 1 100 ? 17.343 -10.069 29.638 0.50 55.47 ? 981 VAL A O 1 +ATOM 639 O O B VAL A 1 100 ? 17.302 -10.020 29.652 0.50 55.59 ? 981 VAL A O 1 +ATOM 640 C CB A VAL A 1 100 ? 19.111 -12.695 29.840 0.50 51.11 ? 981 VAL A CB 1 +ATOM 641 C CB B VAL A 1 100 ? 18.723 -12.784 29.515 0.50 51.26 ? 981 VAL A CB 1 +ATOM 642 C CG1 A VAL A 1 100 ? 19.713 -13.943 30.475 0.50 49.99 ? 981 VAL A CG1 1 +ATOM 643 C CG1 B VAL A 1 100 ? 19.549 -11.880 28.622 0.50 49.78 ? 981 VAL A CG1 1 +ATOM 644 C CG2 A VAL A 1 100 ? 18.458 -13.030 28.505 0.50 49.85 ? 981 VAL A CG2 1 +ATOM 645 C CG2 B VAL A 1 100 ? 19.531 -13.988 29.985 0.50 49.92 ? 981 VAL A CG2 1 +ATOM 646 N N . PRO A 1 101 ? 18.424 -9.692 31.584 1.00 53.69 ? 982 PRO A N 1 +ATOM 647 C CA . PRO A 1 101 ? 18.205 -8.226 31.524 1.00 54.94 ? 982 PRO A CA 1 +ATOM 648 C C . PRO A 1 101 ? 18.790 -7.372 30.408 1.00 57.51 ? 982 PRO A C 1 +ATOM 649 O O . PRO A 1 101 ? 18.175 -6.355 30.086 1.00 59.95 ? 982 PRO A O 1 +ATOM 650 C CB . PRO A 1 101 ? 18.660 -7.728 32.899 1.00 57.73 ? 982 PRO A CB 1 +ATOM 651 C CG . PRO A 1 101 ? 18.828 -8.936 33.730 1.00 61.40 ? 982 PRO A CG 1 +ATOM 652 C CD . PRO A 1 101 ? 19.131 -10.059 32.831 1.00 54.60 ? 982 PRO A CD 1 +ATOM 653 N N . LEU A 1 102 ? 19.965 -7.712 29.871 1.00 50.41 ? 983 LEU A N 1 +ATOM 654 C CA . LEU A 1 102 ? 20.574 -6.875 28.832 1.00 49.23 ? 983 LEU A CA 1 +ATOM 655 C C . LEU A 1 102 ? 19.920 -6.967 27.429 1.00 53.80 ? 983 LEU A C 1 +ATOM 656 O O . LEU A 1 102 ? 20.158 -6.100 26.584 1.00 54.70 ? 983 LEU A O 1 +ATOM 657 C CB . LEU A 1 102 ? 22.117 -6.984 28.796 1.00 47.22 ? 983 LEU A CB 1 +ATOM 658 C CG . LEU A 1 102 ? 22.894 -6.632 30.086 1.00 52.26 ? 983 LEU A CG 1 +ATOM 659 C CD1 . LEU A 1 102 ? 24.370 -6.514 29.801 1.00 50.95 ? 983 LEU A CD1 1 +ATOM 660 C CD2 . LEU A 1 102 ? 22.412 -5.309 30.719 1.00 55.23 ? 983 LEU A CD2 1 +ATOM 661 N N . GLY A 1 103 ? 19.082 -7.984 27.221 1.00 49.09 ? 984 GLY A N 1 +ATOM 662 C CA . GLY A 1 103 ? 18.348 -8.176 25.976 1.00 48.23 ? 984 GLY A CA 1 +ATOM 663 C C . GLY A 1 103 ? 19.151 -8.766 24.839 1.00 49.79 ? 984 GLY A C 1 +ATOM 664 O O . GLY A 1 103 ? 20.210 -9.357 25.055 1.00 47.52 ? 984 GLY A O 1 +ATOM 665 N N . SER A 1 104 ? 18.631 -8.620 23.615 1.00 46.15 ? 985 SER A N 1 +ATOM 666 C CA . SER A 1 104 ? 19.247 -9.136 22.395 1.00 43.79 ? 985 SER A CA 1 +ATOM 667 C C . SER A 1 104 ? 20.387 -8.250 21.878 1.00 49.06 ? 985 SER A C 1 +ATOM 668 O O . SER A 1 104 ? 20.357 -7.031 22.081 1.00 50.14 ? 985 SER A O 1 +ATOM 669 C CB . SER A 1 104 ? 18.193 -9.335 21.305 1.00 45.13 ? 985 SER A CB 1 +ATOM 670 O OG . SER A 1 104 ? 18.075 -8.213 20.444 1.00 48.06 ? 985 SER A OG 1 +ATOM 671 N N . LEU A 1 105 ? 21.341 -8.861 21.131 1.00 44.33 ? 986 LEU A N 1 +ATOM 672 C CA . LEU A 1 105 ? 22.470 -8.173 20.495 1.00 43.61 ? 986 LEU A CA 1 +ATOM 673 C C . LEU A 1 105 ? 21.994 -7.151 19.464 1.00 47.07 ? 986 LEU A C 1 +ATOM 674 O O . LEU A 1 105 ? 22.613 -6.098 19.322 1.00 47.33 ? 986 LEU A O 1 +ATOM 675 C CB . LEU A 1 105 ? 23.434 -9.183 19.841 1.00 41.87 ? 986 LEU A CB 1 +ATOM 676 C CG . LEU A 1 105 ? 24.406 -9.864 20.790 1.00 46.45 ? 986 LEU A CG 1 +ATOM 677 C CD1 . LEU A 1 105 ? 24.998 -11.106 20.163 1.00 44.98 ? 986 LEU A CD1 1 +ATOM 678 C CD2 . LEU A 1 105 ? 25.516 -8.913 21.211 1.00 49.37 ? 986 LEU A CD2 1 +ATOM 679 N N . ARG A 1 106 ? 20.870 -7.446 18.784 1.00 43.75 ? 987 ARG A N 1 +ATOM 680 C CA . ARG A 1 106 ? 20.242 -6.579 17.790 1.00 44.87 ? 987 ARG A CA 1 +ATOM 681 C C . ARG A 1 106 ? 19.870 -5.211 18.383 1.00 51.94 ? 987 ARG A C 1 +ATOM 682 O O . ARG A 1 106 ? 19.985 -4.194 17.700 1.00 53.48 ? 987 ARG A O 1 +ATOM 683 C CB . ARG A 1 106 ? 19.009 -7.273 17.187 1.00 48.27 ? 987 ARG A CB 1 +ATOM 684 C CG . ARG A 1 106 ? 18.487 -6.609 15.909 1.00 67.60 ? 987 ARG A CG 1 +ATOM 685 C CD . ARG A 1 106 ? 16.984 -6.747 15.743 1.00 83.18 ? 987 ARG A CD 1 +ATOM 686 N NE . ARG A 1 106 ? 16.244 -5.921 16.700 1.00 94.73 ? 987 ARG A NE 1 +ATOM 687 C CZ . ARG A 1 106 ? 14.919 -5.822 16.737 1.00 110.09 ? 987 ARG A CZ 1 +ATOM 688 N NH1 . ARG A 1 106 ? 14.330 -5.048 17.640 1.00 96.31 ? 987 ARG A NH1 1 +ATOM 689 N NH2 . ARG A 1 106 ? 14.171 -6.496 15.869 1.00 96.64 ? 987 ARG A NH2 1 +ATOM 690 N N . ASP A 1 107 ? 19.427 -5.184 19.648 1.00 49.60 ? 988 ASP A N 1 +ATOM 691 C CA . ASP A 1 107 ? 19.079 -3.940 20.327 1.00 51.06 ? 988 ASP A CA 1 +ATOM 692 C C . ASP A 1 107 ? 20.240 -3.409 21.149 1.00 51.90 ? 988 ASP A C 1 +ATOM 693 O O . ASP A 1 107 ? 20.350 -2.191 21.327 1.00 51.63 ? 988 ASP A O 1 +ATOM 694 C CB . ASP A 1 107 ? 17.830 -4.128 21.199 1.00 54.95 ? 988 ASP A CB 1 +ATOM 695 C CG . ASP A 1 107 ? 16.613 -4.618 20.443 1.00 67.72 ? 988 ASP A CG 1 +ATOM 696 O OD1 . ASP A 1 107 ? 16.408 -4.171 19.289 1.00 69.27 ? 988 ASP A OD1 1 +ATOM 697 O OD2 . ASP A 1 107 ? 15.868 -5.453 20.999 1.00 73.92 ? 988 ASP A OD2 1 +ATOM 698 N N . TYR A 1 108 ? 21.117 -4.319 21.635 1.00 46.43 ? 989 TYR A N 1 +ATOM 699 C CA . TYR A 1 108 ? 22.261 -3.971 22.479 1.00 46.42 ? 989 TYR A CA 1 +ATOM 700 C C . TYR A 1 108 ? 23.333 -3.191 21.743 1.00 50.25 ? 989 TYR A C 1 +ATOM 701 O O . TYR A 1 108 ? 23.768 -2.151 22.247 1.00 50.26 ? 989 TYR A O 1 +ATOM 702 C CB . TYR A 1 108 ? 22.863 -5.220 23.151 1.00 46.01 ? 989 TYR A CB 1 +ATOM 703 C CG . TYR A 1 108 ? 23.791 -4.895 24.302 1.00 48.53 ? 989 TYR A CG 1 +ATOM 704 C CD1 . TYR A 1 108 ? 23.295 -4.695 25.587 1.00 51.76 ? 989 TYR A CD1 1 +ATOM 705 C CD2 . TYR A 1 108 ? 25.166 -4.780 24.106 1.00 48.63 ? 989 TYR A CD2 1 +ATOM 706 C CE1 . TYR A 1 108 ? 24.143 -4.387 26.649 1.00 53.59 ? 989 TYR A CE1 1 +ATOM 707 C CE2 . TYR A 1 108 ? 26.022 -4.463 25.158 1.00 50.24 ? 989 TYR A CE2 1 +ATOM 708 C CZ . TYR A 1 108 ? 25.506 -4.272 26.430 1.00 60.00 ? 989 TYR A CZ 1 +ATOM 709 O OH . TYR A 1 108 ? 26.341 -3.959 27.474 1.00 62.65 ? 989 TYR A OH 1 +ATOM 710 N N . LEU A 1 109 ? 23.792 -3.712 20.574 1.00 45.79 ? 990 LEU A N 1 +ATOM 711 C CA . LEU A 1 109 ? 24.856 -3.089 19.778 1.00 45.99 ? 990 LEU A CA 1 +ATOM 712 C C . LEU A 1 109 ? 24.608 -1.626 19.341 1.00 53.06 ? 990 LEU A C 1 +ATOM 713 O O . LEU A 1 109 ? 25.496 -0.802 19.583 1.00 55.04 ? 990 LEU A O 1 +ATOM 714 C CB . LEU A 1 109 ? 25.363 -3.994 18.642 1.00 43.93 ? 990 LEU A CB 1 +ATOM 715 C CG . LEU A 1 109 ? 25.969 -5.346 19.048 1.00 46.51 ? 990 LEU A CG 1 +ATOM 716 C CD1 . LEU A 1 109 ? 26.454 -6.089 17.846 1.00 44.67 ? 990 LEU A CD1 1 +ATOM 717 C CD2 . LEU A 1 109 ? 27.107 -5.186 20.052 1.00 49.08 ? 990 LEU A CD2 1 +ATOM 718 N N . PRO A 1 110 ? 23.407 -1.232 18.831 1.00 49.97 ? 991 PRO A N 1 +ATOM 719 C CA . PRO A 1 110 ? 23.182 0.195 18.506 1.00 52.17 ? 991 PRO A CA 1 +ATOM 720 C C . PRO A 1 110 ? 23.183 1.130 19.720 1.00 59.85 ? 991 PRO A C 1 +ATOM 721 O O . PRO A 1 110 ? 23.465 2.321 19.579 1.00 62.56 ? 991 PRO A O 1 +ATOM 722 C CB . PRO A 1 110 ? 21.801 0.191 17.834 1.00 53.96 ? 991 PRO A CB 1 +ATOM 723 C CG . PRO A 1 110 ? 21.575 -1.237 17.402 1.00 55.15 ? 991 PRO A CG 1 +ATOM 724 C CD . PRO A 1 110 ? 22.227 -2.044 18.467 1.00 50.05 ? 991 PRO A CD 1 +ATOM 725 N N . ARG A 1 111 ? 22.872 0.582 20.910 1.00 56.12 ? 992 ARG A N 1 +ATOM 726 C CA . ARG A 1 111 ? 22.768 1.272 22.201 1.00 57.57 ? 992 ARG A CA 1 +ATOM 727 C C . ARG A 1 111 ? 24.123 1.594 22.855 1.00 63.09 ? 992 ARG A C 1 +ATOM 728 O O . ARG A 1 111 ? 24.214 2.584 23.584 1.00 64.98 ? 992 ARG A O 1 +ATOM 729 C CB . ARG A 1 111 ? 21.925 0.404 23.150 1.00 54.59 ? 992 ARG A CB 1 +ATOM 730 C CG . ARG A 1 111 ? 21.320 1.108 24.350 1.00 61.46 ? 992 ARG A CG 1 +ATOM 731 C CD . ARG A 1 111 ? 20.656 0.114 25.289 1.00 59.88 ? 992 ARG A CD 1 +ATOM 732 N NE . ARG A 1 111 ? 19.479 -0.539 24.702 1.00 58.90 ? 992 ARG A NE 1 +ATOM 733 C CZ . ARG A 1 111 ? 19.306 -1.855 24.621 1.00 65.77 ? 992 ARG A CZ 1 +ATOM 734 N NH1 . ARG A 1 111 ? 20.237 -2.685 25.074 1.00 56.49 ? 992 ARG A NH1 1 +ATOM 735 N NH2 . ARG A 1 111 ? 18.199 -2.351 24.088 1.00 48.03 ? 992 ARG A NH2 1 +ATOM 736 N N . HIS A 1 112 ? 25.162 0.761 22.627 1.00 58.16 ? 993 HIS A N 1 +ATOM 737 C CA . HIS A 1 112 ? 26.470 0.959 23.273 1.00 58.14 ? 993 HIS A CA 1 +ATOM 738 C C . HIS A 1 112 ? 27.657 1.092 22.322 1.00 61.94 ? 993 HIS A C 1 +ATOM 739 O O . HIS A 1 112 ? 27.598 0.628 21.185 1.00 60.37 ? 993 HIS A O 1 +ATOM 740 C CB . HIS A 1 112 ? 26.750 -0.193 24.253 1.00 56.97 ? 993 HIS A CB 1 +ATOM 741 C CG . HIS A 1 112 ? 25.691 -0.380 25.288 1.00 60.77 ? 993 HIS A CG 1 +ATOM 742 N ND1 . HIS A 1 112 ? 25.725 0.306 26.483 1.00 64.49 ? 993 HIS A ND1 1 +ATOM 743 C CD2 . HIS A 1 112 ? 24.602 -1.180 25.271 1.00 61.28 ? 993 HIS A CD2 1 +ATOM 744 C CE1 . HIS A 1 112 ? 24.653 -0.086 27.149 1.00 64.25 ? 993 HIS A CE1 1 +ATOM 745 N NE2 . HIS A 1 112 ? 23.953 -0.985 26.461 1.00 62.71 ? 993 HIS A NE2 1 +ATOM 746 N N . SER A 1 113 ? 28.749 1.700 22.824 1.00 59.90 ? 994 SER A N 1 +ATOM 747 C CA . SER A 1 113 ? 30.027 1.856 22.138 1.00 59.63 ? 994 SER A CA 1 +ATOM 748 C C . SER A 1 113 ? 30.792 0.561 22.425 1.00 62.25 ? 994 SER A C 1 +ATOM 749 O O . SER A 1 113 ? 31.343 0.391 23.523 1.00 63.06 ? 994 SER A O 1 +ATOM 750 C CB . SER A 1 113 ? 30.792 3.053 22.701 1.00 66.24 ? 994 SER A CB 1 +ATOM 751 O OG . SER A 1 113 ? 31.192 3.950 21.678 1.00 78.98 ? 994 SER A OG 1 +ATOM 752 N N . ILE A 1 114 ? 30.751 -0.380 21.467 1.00 55.81 ? 995 ILE A N 1 +ATOM 753 C CA . ILE A 1 114 ? 31.394 -1.689 21.574 1.00 53.22 ? 995 ILE A CA 1 +ATOM 754 C C . ILE A 1 114 ? 32.612 -1.758 20.649 1.00 56.12 ? 995 ILE A C 1 +ATOM 755 O O . ILE A 1 114 ? 32.542 -1.342 19.492 1.00 55.83 ? 995 ILE A O 1 +ATOM 756 C CB . ILE A 1 114 ? 30.396 -2.861 21.307 1.00 54.05 ? 995 ILE A CB 1 +ATOM 757 C CG1 . ILE A 1 114 ? 29.050 -2.714 22.083 1.00 55.05 ? 995 ILE A CG1 1 +ATOM 758 C CG2 . ILE A 1 114 ? 31.054 -4.234 21.526 1.00 51.66 ? 995 ILE A CG2 1 +ATOM 759 C CD1 . ILE A 1 114 ? 29.045 -3.081 23.569 1.00 59.76 ? 995 ILE A CD1 1 +ATOM 760 N N . GLY A 1 115 ? 33.709 -2.279 21.189 1.00 51.60 ? 996 GLY A N 1 +ATOM 761 C CA . GLY A 1 115 ? 34.966 -2.458 20.479 1.00 50.16 ? 996 GLY A CA 1 +ATOM 762 C C . GLY A 1 115 ? 35.034 -3.795 19.777 1.00 49.74 ? 996 GLY A C 1 +ATOM 763 O O . GLY A 1 115 ? 34.302 -4.732 20.120 1.00 47.06 ? 996 GLY A O 1 +ATOM 764 N N . LEU A 1 116 ? 35.925 -3.873 18.784 1.00 45.76 ? 997 LEU A N 1 +ATOM 765 C CA . LEU A 1 116 ? 36.205 -5.036 17.940 1.00 43.78 ? 997 LEU A CA 1 +ATOM 766 C C . LEU A 1 116 ? 36.408 -6.343 18.733 1.00 44.27 ? 997 LEU A C 1 +ATOM 767 O O . LEU A 1 116 ? 35.782 -7.348 18.394 1.00 42.38 ? 997 LEU A O 1 +ATOM 768 C CB . LEU A 1 116 ? 37.439 -4.699 17.075 1.00 44.90 ? 997 LEU A CB 1 +ATOM 769 C CG . LEU A 1 116 ? 37.899 -5.639 15.960 1.00 48.74 ? 997 LEU A CG 1 +ATOM 770 C CD1 . LEU A 1 116 ? 36.728 -6.219 15.146 1.00 46.71 ? 997 LEU A CD1 1 +ATOM 771 C CD2 . LEU A 1 116 ? 38.841 -4.902 15.045 1.00 54.12 ? 997 LEU A CD2 1 +ATOM 772 N N . ALA A 1 117 ? 37.252 -6.316 19.791 1.00 40.35 ? 998 ALA A N 1 +ATOM 773 C CA . ALA A 1 117 ? 37.543 -7.469 20.657 1.00 38.67 ? 998 ALA A CA 1 +ATOM 774 C C . ALA A 1 117 ? 36.278 -8.049 21.309 1.00 40.02 ? 998 ALA A C 1 +ATOM 775 O O . ALA A 1 117 ? 36.076 -9.263 21.271 1.00 37.34 ? 998 ALA A O 1 +ATOM 776 C CB . ALA A 1 117 ? 38.561 -7.088 21.722 1.00 40.59 ? 998 ALA A CB 1 +ATOM 777 N N . GLN A 1 118 ? 35.414 -7.173 21.863 1.00 37.59 ? 999 GLN A N 1 +ATOM 778 C CA . GLN A 1 118 ? 34.152 -7.558 22.495 1.00 37.28 ? 999 GLN A CA 1 +ATOM 779 C C . GLN A 1 118 ? 33.189 -8.183 21.469 1.00 39.35 ? 999 GLN A C 1 +ATOM 780 O O . GLN A 1 118 ? 32.530 -9.181 21.785 1.00 38.14 ? 999 GLN A O 1 +ATOM 781 C CB . GLN A 1 118 ? 33.529 -6.361 23.253 1.00 40.70 ? 999 GLN A CB 1 +ATOM 782 C CG . GLN A 1 118 ? 32.247 -6.666 24.043 1.00 53.36 ? 999 GLN A CG 1 +ATOM 783 C CD . GLN A 1 118 ? 32.428 -7.663 25.160 1.00 69.00 ? 999 GLN A CD 1 +ATOM 784 O OE1 . GLN A 1 118 ? 32.123 -8.851 25.020 1.00 62.65 ? 999 GLN A OE1 1 +ATOM 785 N NE2 . GLN A 1 118 ? 32.891 -7.192 26.305 1.00 65.90 ? 999 GLN A NE2 1 +ATOM 786 N N . LEU A 1 119 ? 33.157 -7.638 20.233 1.00 34.71 ? 1000 LEU A N 1 +ATOM 787 C CA . LEU A 1 119 ? 32.343 -8.202 19.150 1.00 32.77 ? 1000 LEU A CA 1 +ATOM 788 C C . LEU A 1 119 ? 32.841 -9.619 18.820 1.00 34.31 ? 1000 LEU A C 1 +ATOM 789 O O . LEU A 1 119 ? 32.025 -10.532 18.679 1.00 32.82 ? 1000 LEU A O 1 +ATOM 790 C CB . LEU A 1 119 ? 32.386 -7.322 17.880 1.00 32.86 ? 1000 LEU A CB 1 +ATOM 791 C CG . LEU A 1 119 ? 31.848 -5.890 17.975 1.00 38.39 ? 1000 LEU A CG 1 +ATOM 792 C CD1 . LEU A 1 119 ? 32.149 -5.127 16.702 1.00 38.73 ? 1000 LEU A CD1 1 +ATOM 793 C CD2 . LEU A 1 119 ? 30.351 -5.873 18.226 1.00 40.09 ? 1000 LEU A CD2 1 +ATOM 794 N N . LEU A 1 120 ? 34.175 -9.807 18.746 1.00 30.78 ? 1001 LEU A N 1 +ATOM 795 C CA . LEU A 1 120 ? 34.775 -11.116 18.447 1.00 30.29 ? 1001 LEU A CA 1 +ATOM 796 C C . LEU A 1 120 ? 34.568 -12.126 19.570 1.00 34.07 ? 1001 LEU A C 1 +ATOM 797 O O . LEU A 1 120 ? 34.386 -13.315 19.304 1.00 33.48 ? 1001 LEU A O 1 +ATOM 798 C CB . LEU A 1 120 ? 36.257 -10.999 18.056 1.00 30.80 ? 1001 LEU A CB 1 +ATOM 799 C CG . LEU A 1 120 ? 36.544 -10.269 16.740 1.00 35.56 ? 1001 LEU A CG 1 +ATOM 800 C CD1 . LEU A 1 120 ? 37.970 -9.775 16.699 1.00 37.01 ? 1001 LEU A CD1 1 +ATOM 801 C CD2 . LEU A 1 120 ? 36.208 -11.132 15.526 1.00 35.47 ? 1001 LEU A CD2 1 +ATOM 802 N N . LEU A 1 121 ? 34.565 -11.641 20.817 1.00 31.30 ? 1002 LEU A N 1 +ATOM 803 C CA . LEU A 1 121 ? 34.267 -12.431 22.007 1.00 31.09 ? 1002 LEU A CA 1 +ATOM 804 C C . LEU A 1 121 ? 32.799 -12.899 21.947 1.00 34.91 ? 1002 LEU A C 1 +ATOM 805 O O . LEU A 1 121 ? 32.548 -14.067 22.227 1.00 34.54 ? 1002 LEU A O 1 +ATOM 806 C CB . LEU A 1 121 ? 34.529 -11.612 23.287 1.00 32.43 ? 1002 LEU A CB 1 +ATOM 807 C CG . LEU A 1 121 ? 34.549 -12.385 24.620 1.00 37.01 ? 1002 LEU A CG 1 +ATOM 808 C CD1 . LEU A 1 121 ? 35.587 -13.517 24.608 1.00 36.25 ? 1002 LEU A CD1 1 +ATOM 809 C CD2 . LEU A 1 121 ? 34.801 -11.444 25.781 1.00 38.56 ? 1002 LEU A CD2 1 +ATOM 810 N N . PHE A 1 122 ? 31.842 -12.012 21.541 1.00 31.59 ? 1003 PHE A N 1 +ATOM 811 C CA . PHE A 1 122 ? 30.434 -12.397 21.372 1.00 31.21 ? 1003 PHE A CA 1 +ATOM 812 C C . PHE A 1 122 ? 30.352 -13.539 20.340 1.00 34.09 ? 1003 PHE A C 1 +ATOM 813 O O . PHE A 1 122 ? 29.756 -14.577 20.635 1.00 33.59 ? 1003 PHE A O 1 +ATOM 814 C CB . PHE A 1 122 ? 29.563 -11.213 20.908 1.00 33.72 ? 1003 PHE A CB 1 +ATOM 815 C CG . PHE A 1 122 ? 29.332 -10.066 21.869 1.00 36.70 ? 1003 PHE A CG 1 +ATOM 816 C CD1 . PHE A 1 122 ? 29.232 -10.290 23.241 1.00 40.77 ? 1003 PHE A CD1 1 +ATOM 817 C CD2 . PHE A 1 122 ? 29.146 -8.771 21.397 1.00 39.01 ? 1003 PHE A CD2 1 +ATOM 818 C CE1 . PHE A 1 122 ? 29.004 -9.228 24.126 1.00 42.90 ? 1003 PHE A CE1 1 +ATOM 819 C CE2 . PHE A 1 122 ? 28.919 -7.709 22.282 1.00 43.33 ? 1003 PHE A CE2 1 +ATOM 820 C CZ . PHE A 1 122 ? 28.836 -7.946 23.637 1.00 42.48 ? 1003 PHE A CZ 1 +ATOM 821 N N . ALA A 1 123 ? 31.041 -13.378 19.181 1.00 29.39 ? 1004 ALA A N 1 +ATOM 822 C CA . ALA A 1 123 ? 31.103 -14.369 18.104 1.00 28.22 ? 1004 ALA A CA 1 +ATOM 823 C C . ALA A 1 123 ? 31.696 -15.699 18.570 1.00 30.55 ? 1004 ALA A C 1 +ATOM 824 O O . ALA A 1 123 ? 31.161 -16.756 18.245 1.00 29.24 ? 1004 ALA A O 1 +ATOM 825 C CB . ALA A 1 123 ? 31.896 -13.817 16.932 1.00 29.45 ? 1004 ALA A CB 1 +ATOM 826 N N . GLN A 1 124 ? 32.776 -15.642 19.358 1.00 27.91 ? 1005 GLN A N 1 +ATOM 827 C CA . GLN A 1 124 ? 33.437 -16.806 19.953 1.00 27.61 ? 1005 GLN A CA 1 +ATOM 828 C C . GLN A 1 124 ? 32.447 -17.593 20.859 1.00 32.49 ? 1005 GLN A C 1 +ATOM 829 O O . GLN A 1 124 ? 32.346 -18.813 20.737 1.00 32.61 ? 1005 GLN A O 1 +ATOM 830 C CB . GLN A 1 124 ? 34.653 -16.330 20.749 1.00 29.19 ? 1005 GLN A CB 1 +ATOM 831 C CG . GLN A 1 124 ? 35.501 -17.437 21.357 1.00 41.39 ? 1005 GLN A CG 1 +ATOM 832 C CD . GLN A 1 124 ? 36.313 -16.903 22.511 1.00 52.95 ? 1005 GLN A CD 1 +ATOM 833 O OE1 . GLN A 1 124 ? 36.997 -15.874 22.411 1.00 45.40 ? 1005 GLN A OE1 1 +ATOM 834 N NE2 . GLN A 1 124 ? 36.284 -17.613 23.623 1.00 42.75 ? 1005 GLN A NE2 1 +ATOM 835 N N . GLN A 1 125 ? 31.698 -16.880 21.716 1.00 29.57 ? 1006 GLN A N 1 +ATOM 836 C CA . GLN A 1 125 ? 30.697 -17.449 22.635 1.00 29.38 ? 1006 GLN A CA 1 +ATOM 837 C C . GLN A 1 125 ? 29.531 -18.095 21.877 1.00 34.36 ? 1006 GLN A C 1 +ATOM 838 O O . GLN A 1 125 ? 29.073 -19.171 22.269 1.00 34.84 ? 1006 GLN A O 1 +ATOM 839 C CB . GLN A 1 125 ? 30.201 -16.388 23.622 1.00 30.79 ? 1006 GLN A CB 1 +ATOM 840 C CG . GLN A 1 125 ? 31.261 -15.967 24.626 1.00 29.44 ? 1006 GLN A CG 1 +ATOM 841 C CD . GLN A 1 125 ? 30.869 -14.778 25.483 1.00 46.83 ? 1006 GLN A CD 1 +ATOM 842 O OE1 . GLN A 1 125 ? 29.702 -14.387 25.589 1.00 40.61 ? 1006 GLN A OE1 1 +ATOM 843 N NE2 . GLN A 1 125 ? 31.850 -14.186 26.147 1.00 47.32 ? 1006 GLN A NE2 1 +ATOM 844 N N . ILE A 1 126 ? 29.088 -17.472 20.763 1.00 30.69 ? 1007 ILE A N 1 +ATOM 845 C CA . ILE A 1 126 ? 28.050 -18.031 19.891 1.00 29.82 ? 1007 ILE A CA 1 +ATOM 846 C C . ILE A 1 126 ? 28.547 -19.405 19.376 1.00 34.52 ? 1007 ILE A C 1 +ATOM 847 O O . ILE A 1 126 ? 27.833 -20.405 19.517 1.00 35.57 ? 1007 ILE A O 1 +ATOM 848 C CB . ILE A 1 126 ? 27.652 -17.039 18.747 1.00 31.99 ? 1007 ILE A CB 1 +ATOM 849 C CG1 . ILE A 1 126 ? 26.917 -15.800 19.322 1.00 32.52 ? 1007 ILE A CG1 1 +ATOM 850 C CG2 . ILE A 1 126 ? 26.780 -17.729 17.659 1.00 32.03 ? 1007 ILE A CG2 1 +ATOM 851 C CD1 . ILE A 1 126 ? 27.070 -14.503 18.498 1.00 32.57 ? 1007 ILE A CD1 1 +ATOM 852 N N . CYS A 1 127 ? 29.795 -19.454 18.852 1.00 30.02 ? 1008 CYS A N 1 +ATOM 853 C CA . CYS A 1 127 ? 30.443 -20.668 18.343 1.00 29.09 ? 1008 CYS A CA 1 +ATOM 854 C C . CYS A 1 127 ? 30.532 -21.794 19.367 1.00 31.84 ? 1008 CYS A C 1 +ATOM 855 O O . CYS A 1 127 ? 30.326 -22.957 19.008 1.00 30.86 ? 1008 CYS A O 1 +ATOM 856 C CB . CYS A 1 127 ? 31.811 -20.344 17.763 1.00 29.45 ? 1008 CYS A CB 1 +ATOM 857 S SG . CYS A 1 127 ? 31.744 -19.544 16.151 1.00 33.01 ? 1008 CYS A SG 1 +ATOM 858 N N . GLU A 1 128 ? 30.824 -21.446 20.637 1.00 28.01 ? 1009 GLU A N 1 +ATOM 859 C CA . GLU A 1 128 ? 30.903 -22.388 21.756 1.00 27.74 ? 1009 GLU A CA 1 +ATOM 860 C C . GLU A 1 128 ? 29.525 -23.008 22.016 1.00 32.25 ? 1009 GLU A C 1 +ATOM 861 O O . GLU A 1 128 ? 29.418 -24.230 22.128 1.00 32.33 ? 1009 GLU A O 1 +ATOM 862 C CB . GLU A 1 128 ? 31.429 -21.686 23.020 1.00 29.19 ? 1009 GLU A CB 1 +ATOM 863 C CG . GLU A 1 128 ? 32.925 -21.396 23.005 1.00 35.85 ? 1009 GLU A CG 1 +ATOM 864 C CD . GLU A 1 128 ? 33.428 -20.436 24.074 1.00 52.22 ? 1009 GLU A CD 1 +ATOM 865 O OE1 . GLU A 1 128 ? 32.701 -20.188 25.064 1.00 48.36 ? 1009 GLU A OE1 1 +ATOM 866 O OE2 . GLU A 1 128 ? 34.558 -19.924 23.917 1.00 46.82 ? 1009 GLU A OE2 1 +ATOM 867 N N . GLY A 1 129 ? 28.488 -22.165 22.082 1.00 28.80 ? 1010 GLY A N 1 +ATOM 868 C CA . GLY A 1 129 ? 27.114 -22.608 22.283 1.00 28.59 ? 1010 GLY A CA 1 +ATOM 869 C C . GLY A 1 129 ? 26.637 -23.478 21.134 1.00 32.16 ? 1010 GLY A C 1 +ATOM 870 O O . GLY A 1 129 ? 25.986 -24.501 21.359 1.00 33.32 ? 1010 GLY A O 1 +ATOM 871 N N . MET A 1 130 ? 26.988 -23.083 19.890 1.00 26.58 ? 1011 MET A N 1 +ATOM 872 C CA . MET A 1 130 ? 26.616 -23.804 18.659 1.00 25.63 ? 1011 MET A CA 1 +ATOM 873 C C . MET A 1 130 ? 27.334 -25.139 18.509 1.00 29.43 ? 1011 MET A C 1 +ATOM 874 O O . MET A 1 130 ? 26.708 -26.118 18.092 1.00 29.96 ? 1011 MET A O 1 +ATOM 875 C CB . MET A 1 130 ? 26.798 -22.928 17.412 1.00 26.52 ? 1011 MET A CB 1 +ATOM 876 C CG . MET A 1 130 ? 25.756 -21.789 17.278 1.00 29.44 ? 1011 MET A CG 1 +ATOM 877 S SD . MET A 1 130 ? 24.012 -22.288 17.262 1.00 33.56 ? 1011 MET A SD 1 +ATOM 878 C CE . MET A 1 130 ? 23.965 -23.299 15.812 1.00 28.75 ? 1011 MET A CE 1 +ATOM 879 N N . ALA A 1 131 ? 28.634 -25.188 18.868 1.00 25.65 ? 1012 ALA A N 1 +ATOM 880 C CA . ALA A 1 131 ? 29.437 -26.421 18.862 1.00 26.01 ? 1012 ALA A CA 1 +ATOM 881 C C . ALA A 1 131 ? 28.799 -27.449 19.811 1.00 32.41 ? 1012 ALA A C 1 +ATOM 882 O O . ALA A 1 131 ? 28.655 -28.617 19.435 1.00 33.77 ? 1012 ALA A O 1 +ATOM 883 C CB . ALA A 1 131 ? 30.864 -26.130 19.291 1.00 26.00 ? 1012 ALA A CB 1 +ATOM 884 N N . TYR A 1 132 ? 28.360 -26.995 21.007 1.00 28.93 ? 1013 TYR A N 1 +ATOM 885 C CA . TYR A 1 132 ? 27.674 -27.832 21.997 1.00 29.51 ? 1013 TYR A CA 1 +ATOM 886 C C . TYR A 1 132 ? 26.361 -28.367 21.428 1.00 34.25 ? 1013 TYR A C 1 +ATOM 887 O O . TYR A 1 132 ? 26.092 -29.553 21.569 1.00 36.23 ? 1013 TYR A O 1 +ATOM 888 C CB . TYR A 1 132 ? 27.439 -27.076 23.327 1.00 30.76 ? 1013 TYR A CB 1 +ATOM 889 C CG . TYR A 1 132 ? 26.472 -27.792 24.252 1.00 34.25 ? 1013 TYR A CG 1 +ATOM 890 C CD1 . TYR A 1 132 ? 26.889 -28.867 25.034 1.00 36.78 ? 1013 TYR A CD1 1 +ATOM 891 C CD2 . TYR A 1 132 ? 25.123 -27.445 24.287 1.00 35.34 ? 1013 TYR A CD2 1 +ATOM 892 C CE1 . TYR A 1 132 ? 25.991 -29.567 25.840 1.00 38.54 ? 1013 TYR A CE1 1 +ATOM 893 C CE2 . TYR A 1 132 ? 24.216 -28.139 25.086 1.00 37.46 ? 1013 TYR A CE2 1 +ATOM 894 C CZ . TYR A 1 132 ? 24.653 -29.203 25.856 1.00 44.74 ? 1013 TYR A CZ 1 +ATOM 895 O OH . TYR A 1 132 ? 23.758 -29.881 26.649 1.00 49.62 ? 1013 TYR A OH 1 +ATOM 896 N N . LEU A 1 133 ? 25.543 -27.491 20.806 1.00 30.21 ? 1014 LEU A N 1 +ATOM 897 C CA . LEU A 1 133 ? 24.255 -27.844 20.195 1.00 29.98 ? 1014 LEU A CA 1 +ATOM 898 C C . LEU A 1 133 ? 24.428 -28.940 19.155 1.00 34.64 ? 1014 LEU A C 1 +ATOM 899 O O . LEU A 1 133 ? 23.703 -29.929 19.187 1.00 35.59 ? 1014 LEU A O 1 +ATOM 900 C CB . LEU A 1 133 ? 23.583 -26.604 19.576 1.00 29.13 ? 1014 LEU A CB 1 +ATOM 901 C CG . LEU A 1 133 ? 22.128 -26.782 19.121 1.00 34.23 ? 1014 LEU A CG 1 +ATOM 902 C CD1 . LEU A 1 133 ? 21.205 -26.993 20.297 1.00 35.52 ? 1014 LEU A CD1 1 +ATOM 903 C CD2 . LEU A 1 133 ? 21.663 -25.620 18.255 1.00 34.23 ? 1014 LEU A CD2 1 +ATOM 904 N N . HIS A 1 134 ? 25.436 -28.791 18.280 1.00 31.13 ? 1015 HIS A N 1 +ATOM 905 C CA . HIS A 1 134 ? 25.764 -29.756 17.238 1.00 30.81 ? 1015 HIS A CA 1 +ATOM 906 C C . HIS A 1 134 ? 26.243 -31.084 17.812 1.00 35.40 ? 1015 HIS A C 1 +ATOM 907 O O . HIS A 1 134 ? 25.985 -32.130 17.209 1.00 35.54 ? 1015 HIS A O 1 +ATOM 908 C CB . HIS A 1 134 ? 26.744 -29.147 16.210 1.00 29.98 ? 1015 HIS A CB 1 +ATOM 909 C CG . HIS A 1 134 ? 26.101 -28.116 15.325 1.00 32.71 ? 1015 HIS A CG 1 +ATOM 910 N ND1 . HIS A 1 134 ? 26.732 -27.650 14.191 1.00 33.84 ? 1015 HIS A ND1 1 +ATOM 911 C CD2 . HIS A 1 134 ? 24.871 -27.543 15.402 1.00 34.74 ? 1015 HIS A CD2 1 +ATOM 912 C CE1 . HIS A 1 134 ? 25.884 -26.799 13.630 1.00 32.80 ? 1015 HIS A CE1 1 +ATOM 913 N NE2 . HIS A 1 134 ? 24.753 -26.702 14.325 1.00 33.66 ? 1015 HIS A NE2 1 +ATOM 914 N N . SER A 1 135 ? 26.895 -31.044 19.003 1.00 31.81 ? 1016 SER A N 1 +ATOM 915 C CA . SER A 1 135 ? 27.373 -32.221 19.722 1.00 32.75 ? 1016 SER A CA 1 +ATOM 916 C C . SER A 1 135 ? 26.203 -33.063 20.248 1.00 38.33 ? 1016 SER A C 1 +ATOM 917 O O . SER A 1 135 ? 26.325 -34.280 20.366 1.00 39.77 ? 1016 SER A O 1 +ATOM 918 C CB . SER A 1 135 ? 28.300 -31.815 20.868 1.00 36.54 ? 1016 SER A CB 1 +ATOM 919 O OG . SER A 1 135 ? 27.588 -31.434 22.037 1.00 43.47 ? 1016 SER A OG 1 +ATOM 920 N N . GLN A 1 136 ? 25.079 -32.407 20.564 1.00 35.09 ? 1017 GLN A N 1 +ATOM 921 C CA . GLN A 1 136 ? 23.847 -33.028 21.067 1.00 36.44 ? 1017 GLN A CA 1 +ATOM 922 C C . GLN A 1 136 ? 22.918 -33.464 19.919 1.00 42.82 ? 1017 GLN A C 1 +ATOM 923 O O . GLN A 1 136 ? 21.787 -33.886 20.175 1.00 43.97 ? 1017 GLN A O 1 +ATOM 924 C CB . GLN A 1 136 ? 23.114 -32.055 22.022 1.00 37.36 ? 1017 GLN A CB 1 +ATOM 925 C CG . GLN A 1 136 ? 23.874 -31.725 23.314 1.00 41.60 ? 1017 GLN A CG 1 +ATOM 926 C CD . GLN A 1 136 ? 24.435 -32.956 23.983 1.00 50.37 ? 1017 GLN A CD 1 +ATOM 927 O OE1 . GLN A 1 136 ? 25.639 -33.225 23.937 1.00 46.50 ? 1017 GLN A OE1 1 +ATOM 928 N NE2 . GLN A 1 136 ? 23.570 -33.776 24.524 1.00 40.63 ? 1017 GLN A NE2 1 +ATOM 929 N N . HIS A 1 137 ? 23.402 -33.335 18.655 1.00 39.57 ? 1018 HIS A N 1 +ATOM 930 C CA . HIS A 1 137 ? 22.727 -33.685 17.389 1.00 39.28 ? 1018 HIS A CA 1 +ATOM 931 C C . HIS A 1 137 ? 21.503 -32.848 17.022 1.00 40.93 ? 1018 HIS A C 1 +ATOM 932 O O . HIS A 1 137 ? 20.511 -33.362 16.502 1.00 40.53 ? 1018 HIS A O 1 +ATOM 933 C CB . HIS A 1 137 ? 22.529 -35.207 17.202 1.00 42.10 ? 1018 HIS A CB 1 +ATOM 934 C CG . HIS A 1 137 ? 23.782 -36.007 17.397 1.00 46.30 ? 1018 HIS A CG 1 +ATOM 935 N ND1 . HIS A 1 137 ? 23.794 -37.142 18.186 1.00 50.39 ? 1018 HIS A ND1 1 +ATOM 936 C CD2 . HIS A 1 137 ? 25.036 -35.788 16.929 1.00 47.01 ? 1018 HIS A CD2 1 +ATOM 937 C CE1 . HIS A 1 137 ? 25.044 -37.582 18.162 1.00 49.73 ? 1018 HIS A CE1 1 +ATOM 938 N NE2 . HIS A 1 137 ? 25.827 -36.800 17.415 1.00 47.98 ? 1018 HIS A NE2 1 +ATOM 939 N N . TYR A 1 138 ? 21.610 -31.539 17.246 1.00 36.59 ? 1019 TYR A N 1 +ATOM 940 C CA . TYR A 1 138 ? 20.568 -30.578 16.918 1.00 36.43 ? 1019 TYR A CA 1 +ATOM 941 C C . TYR A 1 138 ? 21.095 -29.478 16.011 1.00 38.03 ? 1019 TYR A C 1 +ATOM 942 O O . TYR A 1 138 ? 22.275 -29.125 16.069 1.00 37.39 ? 1019 TYR A O 1 +ATOM 943 C CB . TYR A 1 138 ? 20.009 -29.918 18.193 1.00 39.18 ? 1019 TYR A CB 1 +ATOM 944 C CG . TYR A 1 138 ? 19.347 -30.853 19.182 1.00 43.56 ? 1019 TYR A CG 1 +ATOM 945 C CD1 . TYR A 1 138 ? 18.111 -31.435 18.902 1.00 46.87 ? 1019 TYR A CD1 1 +ATOM 946 C CD2 . TYR A 1 138 ? 19.903 -31.077 20.438 1.00 44.87 ? 1019 TYR A CD2 1 +ATOM 947 C CE1 . TYR A 1 138 ? 17.485 -32.277 19.820 1.00 49.46 ? 1019 TYR A CE1 1 +ATOM 948 C CE2 . TYR A 1 138 ? 19.283 -31.913 21.367 1.00 47.64 ? 1019 TYR A CE2 1 +ATOM 949 C CZ . TYR A 1 138 ? 18.070 -32.504 21.054 1.00 55.19 ? 1019 TYR A CZ 1 +ATOM 950 O OH . TYR A 1 138 ? 17.456 -33.327 21.963 1.00 57.69 ? 1019 TYR A OH 1 +ATOM 951 N N . ILE A 1 139 ? 20.196 -28.913 15.202 1.00 33.79 ? 1020 ILE A N 1 +ATOM 952 C CA . ILE A 1 139 ? 20.437 -27.756 14.336 1.00 31.29 ? 1020 ILE A CA 1 +ATOM 953 C C . ILE A 1 139 ? 19.511 -26.650 14.837 1.00 34.00 ? 1020 ILE A C 1 +ATOM 954 O O . ILE A 1 139 ? 18.408 -26.963 15.284 1.00 34.89 ? 1020 ILE A O 1 +ATOM 955 C CB . ILE A 1 139 ? 20.241 -28.066 12.823 1.00 33.70 ? 1020 ILE A CB 1 +ATOM 956 C CG1 . ILE A 1 139 ? 18.990 -28.956 12.582 1.00 35.36 ? 1020 ILE A CG1 1 +ATOM 957 C CG2 . ILE A 1 139 ? 21.516 -28.686 12.245 1.00 32.99 ? 1020 ILE A CG2 1 +ATOM 958 C CD1 . ILE A 1 139 ? 18.386 -28.895 11.254 1.00 36.51 ? 1020 ILE A CD1 1 +ATOM 959 N N . HIS A 1 140 ? 19.966 -25.382 14.820 1.00 28.95 ? 1021 HIS A N 1 +ATOM 960 C CA . HIS A 1 140 ? 19.179 -24.242 15.308 1.00 29.06 ? 1021 HIS A CA 1 +ATOM 961 C C . HIS A 1 140 ? 18.198 -23.704 14.265 1.00 35.34 ? 1021 HIS A C 1 +ATOM 962 O O . HIS A 1 140 ? 17.017 -23.527 14.578 1.00 37.81 ? 1021 HIS A O 1 +ATOM 963 C CB . HIS A 1 140 ? 20.095 -23.119 15.802 1.00 28.53 ? 1021 HIS A CB 1 +ATOM 964 C CG . HIS A 1 140 ? 19.393 -22.088 16.628 1.00 32.13 ? 1021 HIS A CG 1 +ATOM 965 N ND1 . HIS A 1 140 ? 18.834 -20.970 16.055 1.00 33.45 ? 1021 HIS A ND1 1 +ATOM 966 C CD2 . HIS A 1 140 ? 19.213 -22.029 17.968 1.00 34.53 ? 1021 HIS A CD2 1 +ATOM 967 C CE1 . HIS A 1 140 ? 18.339 -20.260 17.055 1.00 33.77 ? 1021 HIS A CE1 1 +ATOM 968 N NE2 . HIS A 1 140 ? 18.529 -20.865 18.224 1.00 34.72 ? 1021 HIS A NE2 1 +ATOM 969 N N . ARG A 1 141 ? 18.692 -23.415 13.043 1.00 30.37 ? 1022 ARG A N 1 +ATOM 970 C CA . ARG A 1 141 ? 17.929 -22.893 11.892 1.00 29.82 ? 1022 ARG A CA 1 +ATOM 971 C C . ARG A 1 141 ? 17.342 -21.490 12.051 1.00 32.66 ? 1022 ARG A C 1 +ATOM 972 O O . ARG A 1 141 ? 16.548 -21.080 11.209 1.00 30.48 ? 1022 ARG A O 1 +ATOM 973 C CB . ARG A 1 141 ? 16.856 -23.864 11.388 1.00 31.61 ? 1022 ARG A CB 1 +ATOM 974 C CG . ARG A 1 141 ? 17.287 -25.303 11.220 1.00 38.71 ? 1022 ARG A CG 1 +ATOM 975 C CD . ARG A 1 141 ? 16.069 -26.188 11.181 1.00 48.64 ? 1022 ARG A CD 1 +ATOM 976 N NE . ARG A 1 141 ? 15.287 -26.018 9.961 1.00 61.91 ? 1022 ARG A NE 1 +ATOM 977 C CZ . ARG A 1 141 ? 13.963 -26.112 9.898 1.00 77.55 ? 1022 ARG A CZ 1 +ATOM 978 N NH1 . ARG A 1 141 ? 13.253 -26.355 10.994 1.00 63.28 ? 1022 ARG A NH1 1 +ATOM 979 N NH2 . ARG A 1 141 ? 13.339 -25.972 8.739 1.00 68.07 ? 1022 ARG A NH2 1 +ATOM 980 N N . ASN A 1 142 ? 17.751 -20.737 13.091 1.00 30.28 ? 1023 ASN A N 1 +ATOM 981 C CA . ASN A 1 142 ? 17.269 -19.371 13.327 1.00 30.82 ? 1023 ASN A CA 1 +ATOM 982 C C . ASN A 1 142 ? 18.358 -18.552 14.024 1.00 33.04 ? 1023 ASN A C 1 +ATOM 983 O O . ASN A 1 142 ? 18.073 -17.703 14.880 1.00 33.72 ? 1023 ASN A O 1 +ATOM 984 C CB . ASN A 1 142 ? 15.934 -19.384 14.124 1.00 33.77 ? 1023 ASN A CB 1 +ATOM 985 C CG . ASN A 1 142 ? 15.150 -18.087 14.127 1.00 57.51 ? 1023 ASN A CG 1 +ATOM 986 O OD1 . ASN A 1 142 ? 15.262 -17.247 13.231 1.00 50.10 ? 1023 ASN A OD1 1 +ATOM 987 N ND2 . ASN A 1 142 ? 14.338 -17.888 15.157 1.00 54.56 ? 1023 ASN A ND2 1 +ATOM 988 N N . LEU A 1 143 ? 19.622 -18.816 13.641 1.00 27.83 ? 1024 LEU A N 1 +ATOM 989 C CA . LEU A 1 143 ? 20.786 -18.141 14.206 1.00 26.41 ? 1024 LEU A CA 1 +ATOM 990 C C . LEU A 1 143 ? 21.007 -16.788 13.550 1.00 31.32 ? 1024 LEU A C 1 +ATOM 991 O O . LEU A 1 143 ? 21.551 -16.682 12.461 1.00 30.11 ? 1024 LEU A O 1 +ATOM 992 C CB . LEU A 1 143 ? 22.039 -19.035 14.194 1.00 24.88 ? 1024 LEU A CB 1 +ATOM 993 C CG . LEU A 1 143 ? 23.302 -18.449 14.851 1.00 28.52 ? 1024 LEU A CG 1 +ATOM 994 C CD1 . LEU A 1 143 ? 23.133 -18.294 16.382 1.00 28.93 ? 1024 LEU A CD1 1 +ATOM 995 C CD2 . LEU A 1 143 ? 24.482 -19.306 14.562 1.00 29.68 ? 1024 LEU A CD2 1 +ATOM 996 N N . ALA A 1 144 ? 20.539 -15.755 14.236 1.00 31.58 ? 1025 ALA A N 1 +ATOM 997 C CA . ALA A 1 144 ? 20.576 -14.348 13.848 1.00 31.91 ? 1025 ALA A CA 1 +ATOM 998 C C . ALA A 1 144 ? 20.799 -13.565 15.121 1.00 36.07 ? 1025 ALA A C 1 +ATOM 999 O O . ALA A 1 144 ? 20.442 -14.051 16.190 1.00 36.04 ? 1025 ALA A O 1 +ATOM 1000 C CB . ALA A 1 144 ? 19.237 -13.955 13.224 1.00 33.18 ? 1025 ALA A CB 1 +ATOM 1001 N N . ALA A 1 145 ? 21.376 -12.358 15.019 1.00 33.77 ? 1026 ALA A N 1 +ATOM 1002 C CA . ALA A 1 145 ? 21.683 -11.498 16.172 1.00 34.56 ? 1026 ALA A CA 1 +ATOM 1003 C C . ALA A 1 145 ? 20.496 -11.227 17.093 1.00 39.51 ? 1026 ALA A C 1 +ATOM 1004 O O . ALA A 1 145 ? 20.694 -11.101 18.301 1.00 38.92 ? 1026 ALA A O 1 +ATOM 1005 C CB . ALA A 1 145 ? 22.290 -10.189 15.704 1.00 36.00 ? 1026 ALA A CB 1 +ATOM 1006 N N . ARG A 1 146 ? 19.266 -11.147 16.532 1.00 37.95 ? 1027 ARG A N 1 +ATOM 1007 C CA . ARG A 1 146 ? 18.051 -10.901 17.318 1.00 39.81 ? 1027 ARG A CA 1 +ATOM 1008 C C . ARG A 1 146 ? 17.687 -12.074 18.238 1.00 41.20 ? 1027 ARG A C 1 +ATOM 1009 O O . ARG A 1 146 ? 17.028 -11.872 19.259 1.00 41.14 ? 1027 ARG A O 1 +ATOM 1010 C CB . ARG A 1 146 ? 16.872 -10.441 16.430 1.00 45.69 ? 1027 ARG A CB 1 +ATOM 1011 C CG . ARG A 1 146 ? 16.149 -11.526 15.634 1.00 59.65 ? 1027 ARG A CG 1 +ATOM 1012 C CD . ARG A 1 146 ? 14.724 -11.687 16.143 1.00 69.80 ? 1027 ARG A CD 1 +ATOM 1013 N NE . ARG A 1 146 ? 13.801 -12.086 15.076 1.00 81.01 ? 1027 ARG A NE 1 +ATOM 1014 C CZ . ARG A 1 146 ? 13.089 -13.212 15.069 1.00 90.41 ? 1027 ARG A CZ 1 +ATOM 1015 N NH1 . ARG A 1 146 ? 12.275 -13.483 14.055 1.00 79.37 ? 1027 ARG A NH1 1 +ATOM 1016 N NH2 . ARG A 1 146 ? 13.182 -14.072 16.078 1.00 61.59 ? 1027 ARG A NH2 1 +ATOM 1017 N N . ASN A 1 147 ? 18.172 -13.286 17.892 1.00 35.68 ? 1028 ASN A N 1 +ATOM 1018 C CA . ASN A 1 147 ? 17.939 -14.516 18.650 1.00 34.64 ? 1028 ASN A CA 1 +ATOM 1019 C C . ASN A 1 147 ? 19.034 -14.841 19.679 1.00 39.09 ? 1028 ASN A C 1 +ATOM 1020 O O . ASN A 1 147 ? 18.921 -15.837 20.399 1.00 38.88 ? 1028 ASN A O 1 +ATOM 1021 C CB . ASN A 1 147 ? 17.666 -15.670 17.697 1.00 28.33 ? 1028 ASN A CB 1 +ATOM 1022 C CG . ASN A 1 147 ? 16.480 -15.386 16.800 1.00 42.50 ? 1028 ASN A CG 1 +ATOM 1023 O OD1 . ASN A 1 147 ? 15.426 -14.977 17.258 1.00 39.30 ? 1028 ASN A OD1 1 +ATOM 1024 N ND2 . ASN A 1 147 ? 16.648 -15.517 15.506 1.00 33.65 ? 1028 ASN A ND2 1 +ATOM 1025 N N . VAL A 1 148 ? 20.073 -13.987 19.762 1.00 35.41 ? 1029 VAL A N 1 +ATOM 1026 C CA . VAL A 1 148 ? 21.172 -14.127 20.723 1.00 35.30 ? 1029 VAL A CA 1 +ATOM 1027 C C . VAL A 1 148 ? 21.017 -13.037 21.789 1.00 41.62 ? 1029 VAL A C 1 +ATOM 1028 O O . VAL A 1 148 ? 20.968 -11.846 21.460 1.00 41.56 ? 1029 VAL A O 1 +ATOM 1029 C CB . VAL A 1 148 ? 22.592 -14.133 20.073 1.00 37.58 ? 1029 VAL A CB 1 +ATOM 1030 C CG1 . VAL A 1 148 ? 23.671 -14.364 21.125 1.00 37.01 ? 1029 VAL A CG1 1 +ATOM 1031 C CG2 . VAL A 1 148 ? 22.694 -15.195 18.978 1.00 36.19 ? 1029 VAL A CG2 1 +ATOM 1032 N N . LEU A 1 149 ? 20.925 -13.456 23.062 1.00 39.78 ? 1030 LEU A N 1 +ATOM 1033 C CA . LEU A 1 149 ? 20.748 -12.553 24.201 1.00 41.87 ? 1030 LEU A CA 1 +ATOM 1034 C C . LEU A 1 149 ? 22.014 -12.438 25.066 1.00 46.69 ? 1030 LEU A C 1 +ATOM 1035 O O . LEU A 1 149 ? 22.915 -13.278 24.948 1.00 44.15 ? 1030 LEU A O 1 +ATOM 1036 C CB . LEU A 1 149 ? 19.547 -13.004 25.043 1.00 43.50 ? 1030 LEU A CB 1 +ATOM 1037 C CG . LEU A 1 149 ? 18.239 -13.309 24.281 1.00 48.69 ? 1030 LEU A CG 1 +ATOM 1038 C CD1 . LEU A 1 149 ? 17.422 -14.333 25.016 1.00 49.78 ? 1030 LEU A CD1 1 +ATOM 1039 C CD2 . LEU A 1 149 ? 17.432 -12.052 24.024 1.00 51.45 ? 1030 LEU A CD2 1 +ATOM 1040 N N . LEU A 1 150 ? 22.090 -11.374 25.904 1.00 44.97 ? 1031 LEU A N 1 +ATOM 1041 C CA . LEU A 1 150 ? 23.230 -11.123 26.790 1.00 45.38 ? 1031 LEU A CA 1 +ATOM 1042 C C . LEU A 1 150 ? 22.808 -11.011 28.250 1.00 51.27 ? 1031 LEU A C 1 +ATOM 1043 O O . LEU A 1 150 ? 21.902 -10.232 28.573 1.00 51.78 ? 1031 LEU A O 1 +ATOM 1044 C CB . LEU A 1 150 ? 23.970 -9.826 26.412 1.00 45.87 ? 1031 LEU A CB 1 +ATOM 1045 C CG . LEU A 1 150 ? 24.559 -9.668 25.019 1.00 49.06 ? 1031 LEU A CG 1 +ATOM 1046 C CD1 . LEU A 1 150 ? 25.148 -8.289 24.875 1.00 49.91 ? 1031 LEU A CD1 1 +ATOM 1047 C CD2 . LEU A 1 150 ? 25.638 -10.718 24.734 1.00 48.94 ? 1031 LEU A CD2 1 +ATOM 1048 N N . ASP A 1 151 ? 23.487 -11.752 29.144 1.00 47.48 ? 1032 ASP A N 1 +ATOM 1049 C CA . ASP A 1 151 ? 23.210 -11.635 30.572 1.00 48.88 ? 1032 ASP A CA 1 +ATOM 1050 C C . ASP A 1 151 ? 23.987 -10.416 31.091 1.00 54.41 ? 1032 ASP A C 1 +ATOM 1051 O O . ASP A 1 151 ? 24.647 -9.741 30.294 1.00 53.75 ? 1032 ASP A O 1 +ATOM 1052 C CB . ASP A 1 151 ? 23.514 -12.951 31.339 1.00 50.26 ? 1032 ASP A CB 1 +ATOM 1053 C CG . ASP A 1 151 ? 24.974 -13.338 31.586 1.00 58.99 ? 1032 ASP A CG 1 +ATOM 1054 O OD1 . ASP A 1 151 ? 25.875 -12.621 31.100 1.00 59.60 ? 1032 ASP A OD1 1 +ATOM 1055 O OD2 . ASP A 1 151 ? 25.210 -14.361 32.267 1.00 63.64 ? 1032 ASP A OD2 1 +ATOM 1056 N N . ASN A 1 152 ? 23.946 -10.153 32.404 1.00 52.64 ? 1033 ASN A N 1 +ATOM 1057 C CA . ASN A 1 152 ? 24.623 -9.020 33.032 1.00 53.62 ? 1033 ASN A CA 1 +ATOM 1058 C C . ASN A 1 152 ? 26.118 -8.866 32.770 1.00 56.84 ? 1033 ASN A C 1 +ATOM 1059 O O . ASN A 1 152 ? 26.616 -7.739 32.725 1.00 57.63 ? 1033 ASN A O 1 +ATOM 1060 C CB . ASN A 1 152 ? 24.309 -8.959 34.513 1.00 55.36 ? 1033 ASN A CB 1 +ATOM 1061 C CG . ASN A 1 152 ? 22.887 -8.550 34.793 1.00 69.12 ? 1033 ASN A CG 1 +ATOM 1062 O OD1 . ASN A 1 152 ? 22.181 -9.186 35.580 1.00 65.35 ? 1033 ASN A OD1 1 +ATOM 1063 N ND2 . ASN A 1 152 ? 22.427 -7.495 34.133 1.00 56.91 ? 1033 ASN A ND2 1 +ATOM 1064 N N . ASP A 1 153 ? 26.828 -9.982 32.573 1.00 51.55 ? 1034 ASP A N 1 +ATOM 1065 C CA . ASP A 1 153 ? 28.263 -9.953 32.295 1.00 50.23 ? 1034 ASP A CA 1 +ATOM 1066 C C . ASP A 1 153 ? 28.536 -9.936 30.778 1.00 52.06 ? 1034 ASP A C 1 +ATOM 1067 O O . ASP A 1 153 ? 29.654 -10.228 30.351 1.00 51.88 ? 1034 ASP A O 1 +ATOM 1068 C CB . ASP A 1 153 ? 28.956 -11.142 32.993 1.00 51.20 ? 1034 ASP A CB 1 +ATOM 1069 C CG . ASP A 1 153 ? 28.728 -11.203 34.498 1.00 58.77 ? 1034 ASP A CG 1 +ATOM 1070 O OD1 . ASP A 1 153 ? 28.382 -12.291 35.000 1.00 60.21 ? 1034 ASP A OD1 1 +ATOM 1071 O OD2 . ASP A 1 153 ? 28.901 -10.161 35.171 1.00 59.43 ? 1034 ASP A OD2 1 +ATOM 1072 N N . ARG A 1 154 ? 27.508 -9.568 29.970 1.00 47.87 ? 1035 ARG A N 1 +ATOM 1073 C CA . ARG A 1 154 ? 27.510 -9.531 28.498 1.00 45.53 ? 1035 ARG A CA 1 +ATOM 1074 C C . ARG A 1 154 ? 27.853 -10.919 27.950 1.00 46.34 ? 1035 ARG A C 1 +ATOM 1075 O O . ARG A 1 154 ? 28.569 -11.034 26.956 1.00 45.14 ? 1035 ARG A O 1 +ATOM 1076 C CB . ARG A 1 154 ? 28.467 -8.455 27.938 1.00 45.62 ? 1035 ARG A CB 1 +ATOM 1077 C CG . ARG A 1 154 ? 28.126 -7.020 28.304 1.00 55.55 ? 1035 ARG A CG 1 +ATOM 1078 C CD . ARG A 1 154 ? 29.285 -6.119 27.926 1.00 65.88 ? 1035 ARG A CD 1 +ATOM 1079 N NE . ARG A 1 154 ? 28.857 -4.738 27.698 1.00 81.00 ? 1035 ARG A NE 1 +ATOM 1080 C CZ . ARG A 1 154 ? 29.577 -3.816 27.064 1.00 99.27 ? 1035 ARG A CZ 1 +ATOM 1081 N NH1 . ARG A 1 154 ? 30.772 -4.121 26.567 1.00 89.39 ? 1035 ARG A NH1 1 +ATOM 1082 N NH2 . ARG A 1 154 ? 29.105 -2.585 26.912 1.00 86.70 ? 1035 ARG A NH2 1 +ATOM 1083 N N . LEU A 1 155 ? 27.376 -11.980 28.624 1.00 41.92 ? 1036 LEU A N 1 +ATOM 1084 C CA . LEU A 1 155 ? 27.650 -13.340 28.173 1.00 40.08 ? 1036 LEU A CA 1 +ATOM 1085 C C . LEU A 1 155 ? 26.526 -13.825 27.282 1.00 41.40 ? 1036 LEU A C 1 +ATOM 1086 O O . LEU A 1 155 ? 25.347 -13.688 27.637 1.00 42.35 ? 1036 LEU A O 1 +ATOM 1087 C CB . LEU A 1 155 ? 27.926 -14.317 29.340 1.00 40.58 ? 1036 LEU A CB 1 +ATOM 1088 C CG . LEU A 1 155 ? 29.208 -14.073 30.154 1.00 46.09 ? 1036 LEU A CG 1 +ATOM 1089 C CD1 . LEU A 1 155 ? 29.203 -14.875 31.437 1.00 47.28 ? 1036 LEU A CD1 1 +ATOM 1090 C CD2 . LEU A 1 155 ? 30.463 -14.397 29.354 1.00 46.47 ? 1036 LEU A CD2 1 +ATOM 1091 N N . VAL A 1 156 ? 26.900 -14.353 26.101 1.00 33.44 ? 1037 VAL A N 1 +ATOM 1092 C CA . VAL A 1 156 ? 25.978 -14.855 25.074 1.00 31.12 ? 1037 VAL A CA 1 +ATOM 1093 C C . VAL A 1 156 ? 25.012 -15.917 25.608 1.00 35.76 ? 1037 VAL A C 1 +ATOM 1094 O O . VAL A 1 156 ? 25.407 -16.786 26.379 1.00 35.94 ? 1037 VAL A O 1 +ATOM 1095 C CB . VAL A 1 156 ? 26.754 -15.293 23.794 1.00 31.47 ? 1037 VAL A CB 1 +ATOM 1096 C CG1 . VAL A 1 156 ? 26.059 -16.406 23.019 1.00 29.53 ? 1037 VAL A CG1 1 +ATOM 1097 C CG2 . VAL A 1 156 ? 27.053 -14.103 22.895 1.00 30.90 ? 1037 VAL A CG2 1 +ATOM 1098 N N . LYS A 1 157 ? 23.743 -15.813 25.207 1.00 33.48 ? 1038 LYS A N 1 +ATOM 1099 C CA . LYS A 1 157 ? 22.678 -16.740 25.554 1.00 34.06 ? 1038 LYS A CA 1 +ATOM 1100 C C . LYS A 1 157 ? 21.850 -16.978 24.296 1.00 38.26 ? 1038 LYS A C 1 +ATOM 1101 O O . LYS A 1 157 ? 20.989 -16.155 23.952 1.00 38.94 ? 1038 LYS A O 1 +ATOM 1102 C CB . LYS A 1 157 ? 21.801 -16.188 26.715 1.00 38.17 ? 1038 LYS A CB 1 +ATOM 1103 C CG . LYS A 1 157 ? 22.496 -16.083 28.076 1.00 44.49 ? 1038 LYS A CG 1 +ATOM 1104 C CD . LYS A 1 157 ? 22.946 -17.444 28.632 1.00 44.54 ? 1038 LYS A CD 1 +ATOM 1105 C CE . LYS A 1 157 ? 23.586 -17.335 29.996 1.00 42.80 ? 1038 LYS A CE 1 +ATOM 1106 N NZ . LYS A 1 157 ? 23.793 -18.687 30.577 1.00 42.83 ? 1038 LYS A NZ 1 +ATOM 1107 N N . ILE A 1 158 ? 22.143 -18.080 23.581 1.00 33.42 ? 1039 ILE A N 1 +ATOM 1108 C CA . ILE A 1 158 ? 21.416 -18.429 22.353 1.00 31.98 ? 1039 ILE A CA 1 +ATOM 1109 C C . ILE A 1 158 ? 19.954 -18.742 22.684 1.00 37.59 ? 1039 ILE A C 1 +ATOM 1110 O O . ILE A 1 158 ? 19.684 -19.587 23.534 1.00 38.58 ? 1039 ILE A O 1 +ATOM 1111 C CB . ILE A 1 158 ? 22.114 -19.554 21.537 1.00 32.62 ? 1039 ILE A CB 1 +ATOM 1112 C CG1 . ILE A 1 158 ? 23.450 -19.049 20.951 1.00 31.05 ? 1039 ILE A CG1 1 +ATOM 1113 C CG2 . ILE A 1 158 ? 21.194 -20.067 20.405 1.00 33.26 ? 1039 ILE A CG2 1 +ATOM 1114 C CD1 . ILE A 1 158 ? 24.467 -20.126 20.583 1.00 29.16 ? 1039 ILE A CD1 1 +ATOM 1115 N N . GLY A 1 159 ? 19.042 -18.034 22.030 1.00 34.94 ? 1040 GLY A N 1 +ATOM 1116 C CA . GLY A 1 159 ? 17.605 -18.215 22.216 1.00 36.80 ? 1040 GLY A CA 1 +ATOM 1117 C C . GLY A 1 159 ? 16.867 -18.621 20.949 1.00 40.05 ? 1040 GLY A C 1 +ATOM 1118 O O . GLY A 1 159 ? 17.492 -19.019 19.954 1.00 37.11 ? 1040 GLY A O 1 +ATOM 1119 N N . ASP A 1 160 ? 15.517 -18.505 20.991 1.00 37.67 ? 1041 ASP A N 1 +ATOM 1120 C CA . ASP A 1 160 ? 14.568 -18.870 19.934 1.00 37.40 ? 1041 ASP A CA 1 +ATOM 1121 C C . ASP A 1 160 ? 14.868 -20.195 19.211 1.00 42.05 ? 1041 ASP A C 1 +ATOM 1122 O O . ASP A 1 160 ? 15.347 -20.215 18.068 1.00 41.26 ? 1041 ASP A O 1 +ATOM 1123 C CB . ASP A 1 160 ? 14.271 -17.712 18.961 1.00 38.95 ? 1041 ASP A CB 1 +ATOM 1124 C CG . ASP A 1 160 ? 12.965 -17.866 18.179 1.00 45.68 ? 1041 ASP A CG 1 +ATOM 1125 O OD1 . ASP A 1 160 ? 12.383 -18.980 18.194 1.00 44.22 ? 1041 ASP A OD1 1 +ATOM 1126 O OD2 . ASP A 1 160 ? 12.531 -16.876 17.546 1.00 48.71 ? 1041 ASP A OD2 1 +ATOM 1127 N N . PHE A 1 161 ? 14.544 -21.298 19.893 1.00 40.30 ? 1042 PHE A N 1 +ATOM 1128 C CA . PHE A 1 161 ? 14.690 -22.670 19.411 1.00 39.90 ? 1042 PHE A CA 1 +ATOM 1129 C C . PHE A 1 161 ? 13.408 -23.146 18.684 1.00 43.40 ? 1042 PHE A C 1 +ATOM 1130 O O . PHE A 1 161 ? 13.204 -24.351 18.487 1.00 42.35 ? 1042 PHE A O 1 +ATOM 1131 C CB . PHE A 1 161 ? 15.106 -23.600 20.577 1.00 42.70 ? 1042 PHE A CB 1 +ATOM 1132 C CG . PHE A 1 161 ? 16.551 -23.408 20.977 1.00 43.13 ? 1042 PHE A CG 1 +ATOM 1133 C CD1 . PHE A 1 161 ? 17.548 -24.227 20.457 1.00 45.43 ? 1042 PHE A CD1 1 +ATOM 1134 C CD2 . PHE A 1 161 ? 16.926 -22.366 21.822 1.00 44.76 ? 1042 PHE A CD2 1 +ATOM 1135 C CE1 . PHE A 1 161 ? 18.890 -24.026 20.797 1.00 44.76 ? 1042 PHE A CE1 1 +ATOM 1136 C CE2 . PHE A 1 161 ? 18.266 -22.154 22.140 1.00 46.51 ? 1042 PHE A CE2 1 +ATOM 1137 C CZ . PHE A 1 161 ? 19.241 -22.984 21.622 1.00 43.47 ? 1042 PHE A CZ 1 +ATOM 1138 N N . GLY A 1 162 ? 12.581 -22.177 18.272 1.00 40.88 ? 1043 GLY A N 1 +ATOM 1139 C CA . GLY A 1 162 ? 11.340 -22.400 17.535 1.00 42.45 ? 1043 GLY A CA 1 +ATOM 1140 C C . GLY A 1 162 ? 11.505 -23.146 16.225 1.00 46.96 ? 1043 GLY A C 1 +ATOM 1141 O O . GLY A 1 162 ? 10.624 -23.911 15.835 1.00 46.61 ? 1043 GLY A O 1 +ATOM 1142 N N . LEU A 1 163 ? 12.658 -22.959 15.558 1.00 44.54 ? 1044 LEU A N 1 +ATOM 1143 C CA . LEU A 1 163 ? 12.986 -23.632 14.297 1.00 43.81 ? 1044 LEU A CA 1 +ATOM 1144 C C . LEU A 1 163 ? 13.909 -24.837 14.500 1.00 47.44 ? 1044 LEU A C 1 +ATOM 1145 O O . LEU A 1 163 ? 14.090 -25.603 13.557 1.00 47.11 ? 1044 LEU A O 1 +ATOM 1146 C CB . LEU A 1 163 ? 13.615 -22.641 13.297 1.00 42.31 ? 1044 LEU A CB 1 +ATOM 1147 C CG . LEU A 1 163 ? 12.733 -22.068 12.169 1.00 48.24 ? 1044 LEU A CG 1 +ATOM 1148 C CD1 . LEU A 1 163 ? 11.313 -22.667 12.154 1.00 51.44 ? 1044 LEU A CD1 1 +ATOM 1149 C CD2 . LEU A 1 163 ? 12.699 -20.555 12.212 1.00 49.49 ? 1044 LEU A CD2 1 +ATOM 1150 N N . ALA A 1 164 ? 14.501 -25.005 15.715 1.00 43.08 ? 1045 ALA A N 1 +ATOM 1151 C CA . ALA A 1 164 ? 15.444 -26.095 16.022 1.00 41.26 ? 1045 ALA A CA 1 +ATOM 1152 C C . ALA A 1 164 ? 14.886 -27.502 15.745 1.00 44.28 ? 1045 ALA A C 1 +ATOM 1153 O O . ALA A 1 164 ? 13.680 -27.742 15.917 1.00 44.75 ? 1045 ALA A O 1 +ATOM 1154 C CB . ALA A 1 164 ? 15.951 -25.983 17.454 1.00 42.22 ? 1045 ALA A CB 1 +ATOM 1155 N N . LYS A 1 165 ? 15.766 -28.416 15.269 1.00 38.22 ? 1046 LYS A N 1 +ATOM 1156 C CA . LYS A 1 165 ? 15.413 -29.800 14.922 1.00 37.85 ? 1046 LYS A CA 1 +ATOM 1157 C C . LYS A 1 165 ? 16.515 -30.780 15.284 1.00 42.09 ? 1046 LYS A C 1 +ATOM 1158 O O . LYS A 1 165 ? 17.697 -30.427 15.246 1.00 40.63 ? 1046 LYS A O 1 +ATOM 1159 C CB . LYS A 1 165 ? 15.127 -29.947 13.404 1.00 37.79 ? 1046 LYS A CB 1 +ATOM 1160 C CG . LYS A 1 165 ? 13.962 -29.130 12.834 1.00 47.12 ? 1046 LYS A CG 1 +ATOM 1161 C CD . LYS A 1 165 ? 12.576 -29.700 13.186 1.00 57.24 ? 1046 LYS A CD 1 +ATOM 1162 C CE . LYS A 1 165 ? 11.473 -28.721 12.869 1.00 69.07 ? 1046 LYS A CE 1 +ATOM 1163 N NZ . LYS A 1 165 ? 10.128 -29.348 12.966 1.00 84.44 ? 1046 LYS A NZ 1 +ATOM 1164 N N . ALA A 1 166 ? 16.131 -32.037 15.546 1.00 40.93 ? 1047 ALA A N 1 +ATOM 1165 C CA . ALA A 1 166 ? 17.075 -33.126 15.774 1.00 42.17 ? 1047 ALA A CA 1 +ATOM 1166 C C . ALA A 1 166 ? 17.531 -33.650 14.400 1.00 49.12 ? 1047 ALA A C 1 +ATOM 1167 O O . ALA A 1 166 ? 16.685 -33.912 13.537 1.00 50.35 ? 1047 ALA A O 1 +ATOM 1168 C CB . ALA A 1 166 ? 16.402 -34.245 16.554 1.00 45.21 ? 1047 ALA A CB 1 +ATOM 1169 N N . VAL A 1 167 ? 18.852 -33.756 14.167 1.00 45.83 ? 1048 VAL A N 1 +ATOM 1170 C CA . VAL A 1 167 ? 19.343 -34.307 12.900 1.00 45.76 ? 1048 VAL A CA 1 +ATOM 1171 C C . VAL A 1 167 ? 19.157 -35.828 13.028 1.00 53.99 ? 1048 VAL A C 1 +ATOM 1172 O O . VAL A 1 167 ? 19.729 -36.413 13.954 1.00 54.85 ? 1048 VAL A O 1 +ATOM 1173 C CB . VAL A 1 167 ? 20.807 -33.916 12.546 1.00 47.87 ? 1048 VAL A CB 1 +ATOM 1174 C CG1 . VAL A 1 167 ? 21.273 -34.623 11.273 1.00 47.26 ? 1048 VAL A CG1 1 +ATOM 1175 C CG2 . VAL A 1 167 ? 20.957 -32.404 12.400 1.00 46.06 ? 1048 VAL A CG2 1 +ATOM 1176 N N . PRO A 1 168 ? 18.331 -36.471 12.161 1.00 53.18 ? 1049 PRO A N 1 +ATOM 1177 C CA . PRO A 1 168 ? 18.100 -37.923 12.294 1.00 55.91 ? 1049 PRO A CA 1 +ATOM 1178 C C . PRO A 1 168 ? 19.374 -38.761 12.285 1.00 61.86 ? 1049 PRO A C 1 +ATOM 1179 O O . PRO A 1 168 ? 20.295 -38.465 11.521 1.00 59.10 ? 1049 PRO A O 1 +ATOM 1180 C CB . PRO A 1 168 ? 17.195 -38.256 11.101 1.00 58.45 ? 1049 PRO A CB 1 +ATOM 1181 C CG . PRO A 1 168 ? 16.573 -36.977 10.712 1.00 61.21 ? 1049 PRO A CG 1 +ATOM 1182 C CD . PRO A 1 168 ? 17.579 -35.913 11.018 1.00 54.36 ? 1049 PRO A CD 1 +ATOM 1183 N N . GLU A 1 169 ? 19.429 -39.785 13.168 1.00 62.65 ? 1050 GLU A N 1 +ATOM 1184 C CA . GLU A 1 169 ? 20.570 -40.695 13.321 1.00 63.86 ? 1050 GLU A CA 1 +ATOM 1185 C C . GLU A 1 169 ? 20.809 -41.467 12.020 1.00 67.84 ? 1050 GLU A C 1 +ATOM 1186 O O . GLU A 1 169 ? 19.878 -42.068 11.472 1.00 68.63 ? 1050 GLU A O 1 +ATOM 1187 C CB . GLU A 1 169 ? 20.354 -41.643 14.518 1.00 68.09 ? 1050 GLU A CB 1 +ATOM 1188 C CG . GLU A 1 169 ? 21.539 -41.719 15.475 1.00 82.80 ? 1050 GLU A CG 1 +ATOM 1189 C CD . GLU A 1 169 ? 21.743 -40.526 16.394 1.00 107.10 ? 1050 GLU A CD 1 +ATOM 1190 O OE1 . GLU A 1 169 ? 20.915 -40.332 17.313 1.00 100.46 ? 1050 GLU A OE1 1 +ATOM 1191 O OE2 . GLU A 1 169 ? 22.751 -39.804 16.215 1.00 101.72 ? 1050 GLU A OE2 1 +ATOM 1192 N N . GLY A 1 170 ? 22.036 -41.376 11.512 1.00 63.37 ? 1051 GLY A N 1 +ATOM 1193 C CA . GLY A 1 170 ? 22.432 -41.982 10.244 1.00 63.44 ? 1051 GLY A CA 1 +ATOM 1194 C C . GLY A 1 170 ? 22.149 -41.088 9.047 1.00 64.39 ? 1051 GLY A C 1 +ATOM 1195 O O . GLY A 1 170 ? 22.178 -41.550 7.902 1.00 64.26 ? 1051 GLY A O 1 +ATOM 1196 N N . HIS A 1 171 ? 21.856 -39.800 9.307 1.00 58.30 ? 1052 HIS A N 1 +ATOM 1197 C CA . HIS A 1 171 ? 21.577 -38.792 8.284 1.00 56.21 ? 1052 HIS A CA 1 +ATOM 1198 C C . HIS A 1 171 ? 22.453 -37.572 8.512 1.00 56.16 ? 1052 HIS A C 1 +ATOM 1199 O O . HIS A 1 171 ? 22.777 -37.246 9.655 1.00 54.78 ? 1052 HIS A O 1 +ATOM 1200 C CB . HIS A 1 171 ? 20.089 -38.406 8.269 1.00 57.70 ? 1052 HIS A CB 1 +ATOM 1201 C CG . HIS A 1 171 ? 19.184 -39.524 7.861 1.00 63.72 ? 1052 HIS A CG 1 +ATOM 1202 N ND1 . HIS A 1 171 ? 18.656 -40.401 8.793 1.00 67.81 ? 1052 HIS A ND1 1 +ATOM 1203 C CD2 . HIS A 1 171 ? 18.754 -39.883 6.629 1.00 66.43 ? 1052 HIS A CD2 1 +ATOM 1204 C CE1 . HIS A 1 171 ? 17.918 -41.257 8.104 1.00 69.18 ? 1052 HIS A CE1 1 +ATOM 1205 N NE2 . HIS A 1 171 ? 17.947 -40.988 6.797 1.00 68.75 ? 1052 HIS A NE2 1 +ATOM 1206 N N . GLU A 1 172 ? 22.862 -36.911 7.424 1.00 51.59 ? 1053 GLU A N 1 +ATOM 1207 C CA . GLU A 1 172 ? 23.734 -35.737 7.515 1.00 49.24 ? 1053 GLU A CA 1 +ATOM 1208 C C . GLU A 1 172 ? 22.964 -34.415 7.509 1.00 48.93 ? 1053 GLU A C 1 +ATOM 1209 O O . GLU A 1 172 ? 23.539 -33.368 7.812 1.00 46.94 ? 1053 GLU A O 1 +ATOM 1210 C CB . GLU A 1 172 ? 24.818 -35.774 6.429 1.00 50.54 ? 1053 GLU A CB 1 +ATOM 1211 C CG . GLU A 1 172 ? 26.194 -35.456 6.990 1.00 64.08 ? 1053 GLU A CG 1 +ATOM 1212 C CD . GLU A 1 172 ? 27.386 -35.671 6.077 1.00 92.52 ? 1053 GLU A CD 1 +ATOM 1213 O OE1 . GLU A 1 172 ? 27.218 -35.616 4.836 1.00 92.35 ? 1053 GLU A OE1 1 +ATOM 1214 O OE2 . GLU A 1 172 ? 28.505 -35.846 6.612 1.00 87.89 ? 1053 GLU A OE2 1 +ATOM 1215 N N . TYR A 1 173 ? 21.653 -34.469 7.202 1.00 43.84 ? 1054 TYR A N 1 +ATOM 1216 C CA . TYR A 1 173 ? 20.810 -33.282 7.148 1.00 41.39 ? 1054 TYR A CA 1 +ATOM 1217 C C . TYR A 1 173 ? 19.368 -33.528 7.603 1.00 43.80 ? 1054 TYR A C 1 +ATOM 1218 O O . TYR A 1 173 ? 18.925 -34.672 7.733 1.00 43.17 ? 1054 TYR A O 1 +ATOM 1219 C CB . TYR A 1 173 ? 20.837 -32.674 5.727 1.00 41.49 ? 1054 TYR A CB 1 +ATOM 1220 C CG . TYR A 1 173 ? 20.202 -33.549 4.667 1.00 44.34 ? 1054 TYR A CG 1 +ATOM 1221 C CD1 . TYR A 1 173 ? 20.970 -34.429 3.909 1.00 46.94 ? 1054 TYR A CD1 1 +ATOM 1222 C CD2 . TYR A 1 173 ? 18.835 -33.492 4.413 1.00 45.89 ? 1054 TYR A CD2 1 +ATOM 1223 C CE1 . TYR A 1 173 ? 20.388 -35.250 2.943 1.00 49.15 ? 1054 TYR A CE1 1 +ATOM 1224 C CE2 . TYR A 1 173 ? 18.240 -34.316 3.460 1.00 48.14 ? 1054 TYR A CE2 1 +ATOM 1225 C CZ . TYR A 1 173 ? 19.022 -35.188 2.719 1.00 57.15 ? 1054 TYR A CZ 1 +ATOM 1226 O OH . TYR A 1 173 ? 18.433 -35.984 1.763 1.00 59.94 ? 1054 TYR A OH 1 +ATOM 1227 N N . TYR A 1 174 ? 18.635 -32.429 7.813 1.00 39.68 ? 1055 TYR A N 1 +ATOM 1228 C CA . TYR A 1 174 ? 17.212 -32.440 8.128 1.00 40.31 ? 1055 TYR A CA 1 +ATOM 1229 C C . TYR A 1 174 ? 16.490 -31.933 6.880 1.00 41.83 ? 1055 TYR A C 1 +ATOM 1230 O O . TYR A 1 174 ? 16.866 -30.894 6.331 1.00 39.54 ? 1055 TYR A O 1 +ATOM 1231 C CB . TYR A 1 174 ? 16.906 -31.545 9.343 1.00 41.52 ? 1055 TYR A CB 1 +ATOM 1232 C CG . TYR A 1 174 ? 15.463 -31.092 9.432 1.00 43.16 ? 1055 TYR A CG 1 +ATOM 1233 C CD1 . TYR A 1 174 ? 14.482 -31.918 9.976 1.00 46.50 ? 1055 TYR A CD1 1 +ATOM 1234 C CD2 . TYR A 1 174 ? 15.079 -29.829 8.985 1.00 42.68 ? 1055 TYR A CD2 1 +ATOM 1235 C CE1 . TYR A 1 174 ? 13.151 -31.512 10.049 1.00 46.73 ? 1055 TYR A CE1 1 +ATOM 1236 C CE2 . TYR A 1 174 ? 13.749 -29.415 9.044 1.00 44.45 ? 1055 TYR A CE2 1 +ATOM 1237 C CZ . TYR A 1 174 ? 12.791 -30.256 9.587 1.00 53.39 ? 1055 TYR A CZ 1 +ATOM 1238 O OH . TYR A 1 174 ? 11.484 -29.843 9.648 1.00 57.27 ? 1055 TYR A OH 1 +ATOM 1239 N N . ARG A 1 175 ? 15.464 -32.666 6.434 1.00 39.32 ? 1056 ARG A N 1 +ATOM 1240 C CA . ARG A 1 175 ? 14.673 -32.285 5.268 1.00 38.43 ? 1056 ARG A CA 1 +ATOM 1241 C C . ARG A 1 175 ? 13.682 -31.178 5.673 1.00 42.42 ? 1056 ARG A C 1 +ATOM 1242 O O . ARG A 1 175 ? 12.786 -31.417 6.489 1.00 41.67 ? 1056 ARG A O 1 +ATOM 1243 C CB . ARG A 1 175 ? 13.967 -33.516 4.677 1.00 38.44 ? 1056 ARG A CB 1 +ATOM 1244 C CG . ARG A 1 175 ? 12.898 -33.212 3.608 1.00 48.64 ? 1056 ARG A CG 1 +ATOM 1245 C CD . ARG A 1 175 ? 12.475 -34.424 2.784 1.00 56.14 ? 1056 ARG A CD 1 +ATOM 1246 N NE . ARG A 1 175 ? 12.403 -35.671 3.553 1.00 74.83 ? 1056 ARG A NE 1 +ATOM 1247 C CZ . ARG A 1 175 ? 13.312 -36.643 3.504 1.00 90.42 ? 1056 ARG A CZ 1 +ATOM 1248 N NH1 . ARG A 1 175 ? 14.377 -36.527 2.720 1.00 72.02 ? 1056 ARG A NH1 1 +ATOM 1249 N NH2 . ARG A 1 175 ? 13.167 -37.732 4.247 1.00 84.14 ? 1056 ARG A NH2 1 +ATOM 1250 N N . VAL A 1 176 ? 13.868 -29.962 5.120 1.00 39.14 ? 1057 VAL A N 1 +ATOM 1251 C CA . VAL A 1 176 ? 12.992 -28.828 5.428 1.00 39.68 ? 1057 VAL A CA 1 +ATOM 1252 C C . VAL A 1 176 ? 11.643 -28.861 4.675 1.00 48.21 ? 1057 VAL A C 1 +ATOM 1253 O O . VAL A 1 176 ? 11.604 -29.127 3.468 1.00 47.78 ? 1057 VAL A O 1 +ATOM 1254 C CB . VAL A 1 176 ? 13.697 -27.438 5.555 1.00 41.37 ? 1057 VAL A CB 1 +ATOM 1255 C CG1 . VAL A 1 176 ? 15.225 -27.557 5.482 1.00 39.65 ? 1057 VAL A CG1 1 +ATOM 1256 C CG2 . VAL A 1 176 ? 13.166 -26.398 4.578 1.00 40.46 ? 1057 VAL A CG2 1 +ATOM 1257 N N . ARG A 1 177 ? 10.544 -28.671 5.431 1.00 49.40 ? 1058 ARG A N 1 +ATOM 1258 C CA . ARG A 1 177 ? 9.153 -28.677 4.960 1.00 52.14 ? 1058 ARG A CA 1 +ATOM 1259 C C . ARG A 1 177 ? 8.765 -27.263 4.538 1.00 57.72 ? 1058 ARG A C 1 +ATOM 1260 O O . ARG A 1 177 ? 7.929 -26.634 5.199 1.00 60.69 ? 1058 ARG A O 1 +ATOM 1261 C CB . ARG A 1 177 ? 8.216 -29.157 6.089 1.00 54.69 ? 1058 ARG A CB 1 +ATOM 1262 C CG . ARG A 1 177 ? 7.833 -30.624 6.019 1.00 66.08 ? 1058 ARG A CG 1 +ATOM 1263 C CD . ARG A 1 177 ? 7.546 -31.217 7.387 1.00 74.71 ? 1058 ARG A CD 1 +ATOM 1264 N NE . ARG A 1 177 ? 6.386 -30.612 8.042 1.00 85.03 ? 1058 ARG A NE 1 +ATOM 1265 C CZ . ARG A 1 177 ? 6.458 -29.800 9.092 1.00 105.06 ? 1058 ARG A CZ 1 +ATOM 1266 N NH1 . ARG A 1 177 ? 5.351 -29.304 9.630 1.00 96.29 ? 1058 ARG A NH1 1 +ATOM 1267 N NH2 . ARG A 1 177 ? 7.637 -29.478 9.614 1.00 94.24 ? 1058 ARG A NH2 1 +ATOM 1268 N N . GLU A 1 178 ? 9.381 -26.758 3.450 1.00 50.88 ? 1059 GLU A N 1 +ATOM 1269 C CA . GLU A 1 178 ? 9.174 -25.405 2.913 1.00 49.77 ? 1059 GLU A CA 1 +ATOM 1270 C C . GLU A 1 178 ? 9.915 -24.317 3.721 1.00 53.96 ? 1059 GLU A C 1 +ATOM 1271 O O . GLU A 1 178 ? 10.077 -24.456 4.938 1.00 53.05 ? 1059 GLU A O 1 +ATOM 1272 C CB . GLU A 1 178 ? 7.678 -25.072 2.777 1.00 52.06 ? 1059 GLU A CB 1 +ATOM 1273 C CG . GLU A 1 178 ? 7.283 -24.489 1.439 1.00 56.43 ? 1059 GLU A CG 1 +ATOM 1274 C CD . GLU A 1 178 ? 7.744 -25.244 0.210 1.00 58.03 ? 1059 GLU A CD 1 +ATOM 1275 O OE1 . GLU A 1 178 ? 8.647 -24.717 -0.471 1.00 46.56 ? 1059 GLU A OE1 1 +ATOM 1276 O OE2 . GLU A 1 178 ? 7.212 -26.339 -0.087 1.00 44.50 ? 1059 GLU A OE2 1 +ATOM 1277 N N . ASP A 1 179 ? 10.357 -23.229 3.041 1.00 50.72 ? 1060 ASP A N 1 +ATOM 1278 C CA . ASP A 1 179 ? 11.049 -22.107 3.693 1.00 50.20 ? 1060 ASP A CA 1 +ATOM 1279 C C . ASP A 1 179 ? 10.066 -21.113 4.356 1.00 56.85 ? 1060 ASP A C 1 +ATOM 1280 O O . ASP A 1 179 ? 10.510 -20.138 4.955 1.00 56.59 ? 1060 ASP A O 1 +ATOM 1281 C CB . ASP A 1 179 ? 12.038 -21.381 2.744 1.00 50.06 ? 1060 ASP A CB 1 +ATOM 1282 C CG . ASP A 1 179 ? 13.073 -22.257 2.043 1.00 55.20 ? 1060 ASP A CG 1 +ATOM 1283 O OD1 . ASP A 1 179 ? 13.733 -23.071 2.733 1.00 53.77 ? 1060 ASP A OD1 1 +ATOM 1284 O OD2 . ASP A 1 179 ? 13.262 -22.086 0.806 1.00 57.89 ? 1060 ASP A OD2 1 +ATOM 1285 N N . GLY A 1 180 ? 8.762 -21.398 4.258 1.00 56.13 ? 1061 GLY A N 1 +ATOM 1286 C CA . GLY A 1 180 ? 7.641 -20.644 4.830 1.00 57.52 ? 1061 GLY A CA 1 +ATOM 1287 C C . GLY A 1 180 ? 7.984 -19.410 5.641 1.00 61.75 ? 1061 GLY A C 1 +ATOM 1288 O O . GLY A 1 180 ? 8.309 -18.367 5.062 1.00 61.84 ? 1061 GLY A O 1 +ATOM 1289 N N . ASP A 1 181 ? 7.961 -19.538 6.989 1.00 57.27 ? 1062 ASP A N 1 +ATOM 1290 C CA . ASP A 1 181 ? 8.256 -18.454 7.928 1.00 57.06 ? 1062 ASP A CA 1 +ATOM 1291 C C . ASP A 1 181 ? 9.670 -18.625 8.548 1.00 56.70 ? 1062 ASP A C 1 +ATOM 1292 O O . ASP A 1 181 ? 9.816 -18.748 9.772 1.00 56.66 ? 1062 ASP A O 1 +ATOM 1293 C CB . ASP A 1 181 ? 7.154 -18.378 9.015 1.00 62.06 ? 1062 ASP A CB 1 +ATOM 1294 C CG . ASP A 1 181 ? 5.704 -18.342 8.521 1.00 82.20 ? 1062 ASP A CG 1 +ATOM 1295 O OD1 . ASP A 1 181 ? 5.489 -18.230 7.286 1.00 83.94 ? 1062 ASP A OD1 1 +ATOM 1296 O OD2 . ASP A 1 181 ? 4.784 -18.427 9.368 1.00 92.07 ? 1062 ASP A OD2 1 +ATOM 1297 N N . SER A 1 182 ? 10.707 -18.626 7.683 1.00 48.23 ? 1063 SER A N 1 +ATOM 1298 C CA . SER A 1 182 ? 12.103 -18.823 8.070 1.00 45.44 ? 1063 SER A CA 1 +ATOM 1299 C C . SER A 1 182 ? 13.021 -17.638 7.705 1.00 44.20 ? 1063 SER A C 1 +ATOM 1300 O O . SER A 1 182 ? 12.742 -16.942 6.734 1.00 43.30 ? 1063 SER A O 1 +ATOM 1301 C CB . SER A 1 182 ? 12.641 -20.120 7.471 1.00 48.52 ? 1063 SER A CB 1 +ATOM 1302 O OG . SER A 1 182 ? 11.892 -21.243 7.911 1.00 60.04 ? 1063 SER A OG 1 +ATOM 1303 N N . PRO A 1 183 ? 14.112 -17.375 8.467 1.00 38.24 ? 1064 PRO A N 1 +ATOM 1304 C CA . PRO A 1 183 ? 14.999 -16.253 8.111 1.00 36.71 ? 1064 PRO A CA 1 +ATOM 1305 C C . PRO A 1 183 ? 15.882 -16.625 6.912 1.00 37.58 ? 1064 PRO A C 1 +ATOM 1306 O O . PRO A 1 183 ? 17.053 -16.947 7.066 1.00 36.16 ? 1064 PRO A O 1 +ATOM 1307 C CB . PRO A 1 183 ? 15.802 -16.022 9.397 1.00 37.99 ? 1064 PRO A CB 1 +ATOM 1308 C CG . PRO A 1 183 ? 15.882 -17.363 10.019 1.00 42.32 ? 1064 PRO A CG 1 +ATOM 1309 C CD . PRO A 1 183 ? 14.601 -18.079 9.675 1.00 39.22 ? 1064 PRO A CD 1 +ATOM 1310 N N . VAL A 1 184 ? 15.290 -16.593 5.719 1.00 33.39 ? 1065 VAL A N 1 +ATOM 1311 C CA . VAL A 1 184 ? 15.917 -16.947 4.446 1.00 32.15 ? 1065 VAL A CA 1 +ATOM 1312 C C . VAL A 1 184 ? 17.184 -16.153 4.130 1.00 33.22 ? 1065 VAL A C 1 +ATOM 1313 O O . VAL A 1 184 ? 18.082 -16.689 3.480 1.00 32.87 ? 1065 VAL A O 1 +ATOM 1314 C CB . VAL A 1 184 ? 14.907 -16.992 3.264 1.00 36.41 ? 1065 VAL A CB 1 +ATOM 1315 C CG1 . VAL A 1 184 ? 13.879 -18.109 3.469 1.00 36.62 ? 1065 VAL A CG1 1 +ATOM 1316 C CG2 . VAL A 1 184 ? 14.214 -15.641 3.068 1.00 36.96 ? 1065 VAL A CG2 1 +ATOM 1317 N N . PHE A 1 185 ? 17.263 -14.896 4.602 1.00 27.99 ? 1066 PHE A N 1 +ATOM 1318 C CA . PHE A 1 185 ? 18.429 -14.040 4.385 1.00 27.71 ? 1066 PHE A CA 1 +ATOM 1319 C C . PHE A 1 185 ? 19.659 -14.413 5.259 1.00 29.64 ? 1066 PHE A C 1 +ATOM 1320 O O . PHE A 1 185 ? 20.735 -13.826 5.106 1.00 29.05 ? 1066 PHE A O 1 +ATOM 1321 C CB . PHE A 1 185 ? 18.047 -12.546 4.443 1.00 30.75 ? 1066 PHE A CB 1 +ATOM 1322 C CG . PHE A 1 185 ? 17.227 -12.084 3.255 1.00 33.72 ? 1066 PHE A CG 1 +ATOM 1323 C CD1 . PHE A 1 185 ? 17.782 -12.030 1.980 1.00 36.41 ? 1066 PHE A CD1 1 +ATOM 1324 C CD2 . PHE A 1 185 ? 15.903 -11.694 3.411 1.00 38.02 ? 1066 PHE A CD2 1 +ATOM 1325 C CE1 . PHE A 1 185 ? 17.022 -11.605 0.882 1.00 37.55 ? 1066 PHE A CE1 1 +ATOM 1326 C CE2 . PHE A 1 185 ? 15.151 -11.260 2.313 1.00 40.93 ? 1066 PHE A CE2 1 +ATOM 1327 C CZ . PHE A 1 185 ? 15.717 -11.222 1.055 1.00 37.60 ? 1066 PHE A CZ 1 +ATOM 1328 N N . TRP A 1 186 ? 19.489 -15.417 6.144 1.00 25.40 ? 1067 TRP A N 1 +ATOM 1329 C CA . TRP A 1 186 ? 20.516 -15.999 7.014 1.00 24.67 ? 1067 TRP A CA 1 +ATOM 1330 C C . TRP A 1 186 ? 20.767 -17.447 6.558 1.00 29.95 ? 1067 TRP A C 1 +ATOM 1331 O O . TRP A 1 186 ? 21.490 -18.192 7.233 1.00 30.29 ? 1067 TRP A O 1 +ATOM 1332 C CB . TRP A 1 186 ? 20.042 -15.989 8.484 1.00 23.58 ? 1067 TRP A CB 1 +ATOM 1333 C CG . TRP A 1 186 ? 20.264 -14.676 9.185 1.00 25.14 ? 1067 TRP A CG 1 +ATOM 1334 C CD1 . TRP A 1 186 ? 21.251 -14.378 10.079 1.00 27.73 ? 1067 TRP A CD1 1 +ATOM 1335 C CD2 . TRP A 1 186 ? 19.470 -13.483 9.048 1.00 25.88 ? 1067 TRP A CD2 1 +ATOM 1336 N NE1 . TRP A 1 186 ? 21.144 -13.065 10.483 1.00 28.20 ? 1067 TRP A NE1 1 +ATOM 1337 C CE2 . TRP A 1 186 ? 20.046 -12.498 9.884 1.00 30.43 ? 1067 TRP A CE2 1 +ATOM 1338 C CE3 . TRP A 1 186 ? 18.301 -13.163 8.329 1.00 27.67 ? 1067 TRP A CE3 1 +ATOM 1339 C CZ2 . TRP A 1 186 ? 19.490 -11.214 10.024 1.00 31.02 ? 1067 TRP A CZ2 1 +ATOM 1340 C CZ3 . TRP A 1 186 ? 17.767 -11.886 8.454 1.00 30.21 ? 1067 TRP A CZ3 1 +ATOM 1341 C CH2 . TRP A 1 186 ? 18.364 -10.924 9.283 1.00 31.32 ? 1067 TRP A CH2 1 +ATOM 1342 N N . TYR A 1 187 ? 20.176 -17.842 5.410 1.00 26.63 ? 1068 TYR A N 1 +ATOM 1343 C CA . TYR A 1 187 ? 20.227 -19.216 4.916 1.00 26.99 ? 1068 TYR A CA 1 +ATOM 1344 C C . TYR A 1 187 ? 21.138 -19.505 3.755 1.00 30.05 ? 1068 TYR A C 1 +ATOM 1345 O O . TYR A 1 187 ? 21.151 -18.774 2.760 1.00 29.09 ? 1068 TYR A O 1 +ATOM 1346 C CB . TYR A 1 187 ? 18.821 -19.722 4.577 1.00 29.55 ? 1068 TYR A CB 1 +ATOM 1347 C CG . TYR A 1 187 ? 17.996 -20.223 5.742 1.00 31.85 ? 1068 TYR A CG 1 +ATOM 1348 C CD1 . TYR A 1 187 ? 18.404 -20.013 7.058 1.00 33.36 ? 1068 TYR A CD1 1 +ATOM 1349 C CD2 . TYR A 1 187 ? 16.794 -20.888 5.530 1.00 33.83 ? 1068 TYR A CD2 1 +ATOM 1350 C CE1 . TYR A 1 187 ? 17.639 -20.465 8.132 1.00 34.92 ? 1068 TYR A CE1 1 +ATOM 1351 C CE2 . TYR A 1 187 ? 16.019 -21.337 6.596 1.00 35.53 ? 1068 TYR A CE2 1 +ATOM 1352 C CZ . TYR A 1 187 ? 16.447 -21.128 7.893 1.00 40.54 ? 1068 TYR A CZ 1 +ATOM 1353 O OH . TYR A 1 187 ? 15.684 -21.596 8.929 1.00 43.35 ? 1068 TYR A OH 1 +ATOM 1354 N N . ALA A 1 188 ? 21.840 -20.643 3.868 1.00 25.58 ? 1069 ALA A N 1 +ATOM 1355 C CA . ALA A 1 188 ? 22.753 -21.202 2.880 1.00 24.22 ? 1069 ALA A CA 1 +ATOM 1356 C C . ALA A 1 188 ? 21.996 -21.619 1.616 1.00 27.68 ? 1069 ALA A C 1 +ATOM 1357 O O . ALA A 1 188 ? 20.828 -21.988 1.728 1.00 28.57 ? 1069 ALA A O 1 +ATOM 1358 C CB . ALA A 1 188 ? 23.454 -22.405 3.483 1.00 24.65 ? 1069 ALA A CB 1 +ATOM 1359 N N . PRO A 1 189 ? 22.621 -21.618 0.413 1.00 25.02 ? 1070 PRO A N 1 +ATOM 1360 C CA . PRO A 1 189 ? 21.870 -21.995 -0.804 1.00 25.71 ? 1070 PRO A CA 1 +ATOM 1361 C C . PRO A 1 189 ? 21.179 -23.354 -0.790 1.00 30.12 ? 1070 PRO A C 1 +ATOM 1362 O O . PRO A 1 189 ? 20.111 -23.457 -1.392 1.00 30.11 ? 1070 PRO A O 1 +ATOM 1363 C CB . PRO A 1 189 ? 22.911 -21.891 -1.926 1.00 27.16 ? 1070 PRO A CB 1 +ATOM 1364 C CG . PRO A 1 189 ? 24.234 -21.859 -1.227 1.00 30.36 ? 1070 PRO A CG 1 +ATOM 1365 C CD . PRO A 1 189 ? 23.991 -21.192 0.069 1.00 25.47 ? 1070 PRO A CD 1 +ATOM 1366 N N . GLU A 1 190 ? 21.750 -24.378 -0.090 1.00 26.76 ? 1071 GLU A N 1 +ATOM 1367 C CA . GLU A 1 190 ? 21.151 -25.731 -0.023 1.00 27.38 ? 1071 GLU A CA 1 +ATOM 1368 C C . GLU A 1 190 ? 19.784 -25.789 0.687 1.00 32.45 ? 1071 GLU A C 1 +ATOM 1369 O O . GLU A 1 190 ? 18.985 -26.670 0.380 1.00 34.16 ? 1071 GLU A O 1 +ATOM 1370 C CB . GLU A 1 190 ? 22.123 -26.780 0.551 1.00 28.78 ? 1071 GLU A CB 1 +ATOM 1371 C CG . GLU A 1 190 ? 22.448 -26.632 2.038 1.00 34.82 ? 1071 GLU A CG 1 +ATOM 1372 C CD . GLU A 1 190 ? 23.553 -25.663 2.412 1.00 39.14 ? 1071 GLU A CD 1 +ATOM 1373 O OE1 . GLU A 1 190 ? 24.053 -24.945 1.519 1.00 34.70 ? 1071 GLU A OE1 1 +ATOM 1374 O OE2 . GLU A 1 190 ? 23.895 -25.593 3.614 1.00 32.42 ? 1071 GLU A OE2 1 +ATOM 1375 N N . CYS A 1 191 ? 19.524 -24.859 1.624 1.00 27.86 ? 1072 CYS A N 1 +ATOM 1376 C CA . CYS A 1 191 ? 18.260 -24.777 2.362 1.00 28.90 ? 1072 CYS A CA 1 +ATOM 1377 C C . CYS A 1 191 ? 17.138 -24.280 1.441 1.00 32.94 ? 1072 CYS A C 1 +ATOM 1378 O O . CYS A 1 191 ? 16.005 -24.749 1.548 1.00 32.84 ? 1072 CYS A O 1 +ATOM 1379 C CB . CYS A 1 191 ? 18.392 -23.884 3.594 1.00 29.02 ? 1072 CYS A CB 1 +ATOM 1380 S SG . CYS A 1 191 ? 19.875 -24.183 4.591 1.00 32.56 ? 1072 CYS A SG 1 +ATOM 1381 N N . LEU A 1 192 ? 17.473 -23.337 0.533 1.00 28.58 ? 1073 LEU A N 1 +ATOM 1382 C CA . LEU A 1 192 ? 16.548 -22.689 -0.402 1.00 27.63 ? 1073 LEU A CA 1 +ATOM 1383 C C . LEU A 1 192 ? 16.306 -23.519 -1.649 1.00 32.19 ? 1073 LEU A C 1 +ATOM 1384 O O . LEU A 1 192 ? 15.175 -23.609 -2.119 1.00 33.17 ? 1073 LEU A O 1 +ATOM 1385 C CB . LEU A 1 192 ? 17.108 -21.308 -0.802 1.00 26.44 ? 1073 LEU A CB 1 +ATOM 1386 C CG . LEU A 1 192 ? 17.580 -20.376 0.327 1.00 29.82 ? 1073 LEU A CG 1 +ATOM 1387 C CD1 . LEU A 1 192 ? 18.290 -19.183 -0.235 1.00 29.57 ? 1073 LEU A CD1 1 +ATOM 1388 C CD2 . LEU A 1 192 ? 16.434 -19.945 1.246 1.00 28.26 ? 1073 LEU A CD2 1 +ATOM 1389 N N . LYS A 1 193 ? 17.378 -24.114 -2.186 1.00 27.38 ? 1074 LYS A N 1 +ATOM 1390 C CA . LYS A 1 193 ? 17.375 -24.916 -3.401 1.00 26.58 ? 1074 LYS A CA 1 +ATOM 1391 C C . LYS A 1 193 ? 16.998 -26.387 -3.155 1.00 30.34 ? 1074 LYS A C 1 +ATOM 1392 O O . LYS A 1 193 ? 16.120 -26.910 -3.844 1.00 28.26 ? 1074 LYS A O 1 +ATOM 1393 C CB . LYS A 1 193 ? 18.763 -24.820 -4.074 1.00 26.68 ? 1074 LYS A CB 1 +ATOM 1394 C CG . LYS A 1 193 ? 18.842 -25.436 -5.467 1.00 37.44 ? 1074 LYS A CG 1 +ATOM 1395 C CD . LYS A 1 193 ? 20.299 -25.604 -5.910 1.00 43.83 ? 1074 LYS A CD 1 +ATOM 1396 C CE . LYS A 1 193 ? 20.431 -26.226 -7.281 1.00 53.43 ? 1074 LYS A CE 1 +ATOM 1397 N NZ . LYS A 1 193 ? 20.262 -25.230 -8.370 1.00 63.14 ? 1074 LYS A NZ 1 +ATOM 1398 N N . GLU A 1 194 ? 17.694 -27.061 -2.205 1.00 27.39 ? 1075 GLU A N 1 +ATOM 1399 C CA . GLU A 1 194 ? 17.523 -28.500 -1.964 1.00 27.37 ? 1075 GLU A CA 1 +ATOM 1400 C C . GLU A 1 194 ? 16.698 -28.837 -0.757 1.00 30.67 ? 1075 GLU A C 1 +ATOM 1401 O O . GLU A 1 194 ? 16.449 -30.018 -0.531 1.00 32.39 ? 1075 GLU A O 1 +ATOM 1402 C CB . GLU A 1 194 ? 18.891 -29.188 -1.838 1.00 28.69 ? 1075 GLU A CB 1 +ATOM 1403 C CG . GLU A 1 194 ? 19.805 -29.020 -3.035 1.00 40.32 ? 1075 GLU A CG 1 +ATOM 1404 C CD . GLU A 1 194 ? 21.204 -29.544 -2.786 1.00 54.95 ? 1075 GLU A CD 1 +ATOM 1405 O OE1 . GLU A 1 194 ? 21.348 -30.768 -2.560 1.00 53.86 ? 1075 GLU A OE1 1 +ATOM 1406 O OE2 . GLU A 1 194 ? 22.158 -28.733 -2.835 1.00 46.51 ? 1075 GLU A OE2 1 +ATOM 1407 N N . TYR A 1 195 ? 16.304 -27.834 0.050 1.00 26.11 ? 1076 TYR A N 1 +ATOM 1408 C CA . TYR A 1 195 ? 15.518 -28.032 1.284 1.00 26.76 ? 1076 TYR A CA 1 +ATOM 1409 C C . TYR A 1 195 ? 16.248 -28.963 2.253 1.00 30.05 ? 1076 TYR A C 1 +ATOM 1410 O O . TYR A 1 195 ? 15.666 -29.876 2.844 1.00 28.63 ? 1076 TYR A O 1 +ATOM 1411 C CB . TYR A 1 195 ? 14.073 -28.487 0.976 1.00 28.99 ? 1076 TYR A CB 1 +ATOM 1412 C CG . TYR A 1 195 ? 13.285 -27.420 0.260 1.00 30.27 ? 1076 TYR A CG 1 +ATOM 1413 C CD1 . TYR A 1 195 ? 13.240 -27.375 -1.131 1.00 31.85 ? 1076 TYR A CD1 1 +ATOM 1414 C CD2 . TYR A 1 195 ? 12.620 -26.426 0.967 1.00 31.35 ? 1076 TYR A CD2 1 +ATOM 1415 C CE1 . TYR A 1 195 ? 12.551 -26.368 -1.798 1.00 31.93 ? 1076 TYR A CE1 1 +ATOM 1416 C CE2 . TYR A 1 195 ? 11.916 -25.420 0.310 1.00 32.59 ? 1076 TYR A CE2 1 +ATOM 1417 C CZ . TYR A 1 195 ? 11.873 -25.404 -1.073 1.00 36.30 ? 1076 TYR A CZ 1 +ATOM 1418 O OH . TYR A 1 195 ? 11.200 -24.404 -1.722 1.00 36.83 ? 1076 TYR A OH 1 +ATOM 1419 N N . LYS A 1 196 ? 17.564 -28.743 2.336 1.00 28.00 ? 1077 LYS A N 1 +ATOM 1420 C CA . LYS A 1 196 ? 18.490 -29.507 3.152 1.00 28.43 ? 1077 LYS A CA 1 +ATOM 1421 C C . LYS A 1 196 ? 19.075 -28.592 4.197 1.00 31.34 ? 1077 LYS A C 1 +ATOM 1422 O O . LYS A 1 196 ? 19.501 -27.476 3.882 1.00 30.02 ? 1077 LYS A O 1 +ATOM 1423 C CB . LYS A 1 196 ? 19.618 -30.077 2.277 1.00 30.36 ? 1077 LYS A CB 1 +ATOM 1424 C CG . LYS A 1 196 ? 19.216 -31.280 1.429 1.00 44.48 ? 1077 LYS A CG 1 +ATOM 1425 C CD . LYS A 1 196 ? 20.401 -31.731 0.594 1.00 54.04 ? 1077 LYS A CD 1 +ATOM 1426 C CE . LYS A 1 196 ? 20.215 -33.099 -0.003 1.00 64.19 ? 1077 LYS A CE 1 +ATOM 1427 N NZ . LYS A 1 196 ? 21.524 -33.719 -0.336 1.00 73.89 ? 1077 LYS A NZ 1 +ATOM 1428 N N . PHE A 1 197 ? 19.077 -29.049 5.445 1.00 27.98 ? 1078 PHE A N 1 +ATOM 1429 C CA . PHE A 1 197 ? 19.690 -28.294 6.528 1.00 26.53 ? 1078 PHE A CA 1 +ATOM 1430 C C . PHE A 1 197 ? 20.722 -29.188 7.215 1.00 29.71 ? 1078 PHE A C 1 +ATOM 1431 O O . PHE A 1 197 ? 20.360 -30.124 7.931 1.00 30.95 ? 1078 PHE A O 1 +ATOM 1432 C CB . PHE A 1 197 ? 18.655 -27.706 7.524 1.00 28.42 ? 1078 PHE A CB 1 +ATOM 1433 C CG . PHE A 1 197 ? 19.187 -26.480 8.240 1.00 28.75 ? 1078 PHE A CG 1 +ATOM 1434 C CD1 . PHE A 1 197 ? 18.801 -25.204 7.848 1.00 31.00 ? 1078 PHE A CD1 1 +ATOM 1435 C CD2 . PHE A 1 197 ? 20.141 -26.599 9.248 1.00 28.57 ? 1078 PHE A CD2 1 +ATOM 1436 C CE1 . PHE A 1 197 ? 19.345 -24.072 8.466 1.00 31.08 ? 1078 PHE A CE1 1 +ATOM 1437 C CE2 . PHE A 1 197 ? 20.676 -25.470 9.866 1.00 30.45 ? 1078 PHE A CE2 1 +ATOM 1438 C CZ . PHE A 1 197 ? 20.286 -24.215 9.466 1.00 28.69 ? 1078 PHE A CZ 1 +ATOM 1439 N N . TYR A 1 198 ? 22.003 -28.920 6.941 1.00 24.67 ? 1079 TYR A N 1 +ATOM 1440 C CA . TYR A 1 198 ? 23.165 -29.613 7.506 1.00 24.13 ? 1079 TYR A CA 1 +ATOM 1441 C C . TYR A 1 198 ? 23.620 -28.823 8.729 1.00 28.70 ? 1079 TYR A C 1 +ATOM 1442 O O . TYR A 1 198 ? 23.238 -27.661 8.893 1.00 27.31 ? 1079 TYR A O 1 +ATOM 1443 C CB . TYR A 1 198 ? 24.344 -29.564 6.500 1.00 24.63 ? 1079 TYR A CB 1 +ATOM 1444 C CG . TYR A 1 198 ? 24.116 -30.210 5.155 1.00 28.00 ? 1079 TYR A CG 1 +ATOM 1445 C CD1 . TYR A 1 198 ? 24.318 -31.576 4.972 1.00 31.66 ? 1079 TYR A CD1 1 +ATOM 1446 C CD2 . TYR A 1 198 ? 23.815 -29.441 4.035 1.00 28.67 ? 1079 TYR A CD2 1 +ATOM 1447 C CE1 . TYR A 1 198 ? 24.160 -32.171 3.718 1.00 32.75 ? 1079 TYR A CE1 1 +ATOM 1448 C CE2 . TYR A 1 198 ? 23.662 -30.021 2.776 1.00 29.72 ? 1079 TYR A CE2 1 +ATOM 1449 C CZ . TYR A 1 198 ? 23.828 -31.389 2.623 1.00 39.68 ? 1079 TYR A CZ 1 +ATOM 1450 O OH . TYR A 1 198 ? 23.663 -31.962 1.386 1.00 43.51 ? 1079 TYR A OH 1 +ATOM 1451 N N . TYR A 1 199 ? 24.542 -29.397 9.525 1.00 26.81 ? 1080 TYR A N 1 +ATOM 1452 C CA . TYR A 1 199 ? 25.190 -28.668 10.617 1.00 26.07 ? 1080 TYR A CA 1 +ATOM 1453 C C . TYR A 1 199 ? 25.941 -27.472 9.984 1.00 28.04 ? 1080 TYR A C 1 +ATOM 1454 O O . TYR A 1 199 ? 25.954 -26.382 10.552 1.00 28.74 ? 1080 TYR A O 1 +ATOM 1455 C CB . TYR A 1 199 ? 26.173 -29.577 11.368 1.00 27.34 ? 1080 TYR A CB 1 +ATOM 1456 C CG . TYR A 1 199 ? 25.513 -30.696 12.139 1.00 29.00 ? 1080 TYR A CG 1 +ATOM 1457 C CD1 . TYR A 1 199 ? 24.769 -30.435 13.288 1.00 31.35 ? 1080 TYR A CD1 1 +ATOM 1458 C CD2 . TYR A 1 199 ? 25.680 -32.021 11.759 1.00 30.61 ? 1080 TYR A CD2 1 +ATOM 1459 C CE1 . TYR A 1 199 ? 24.194 -31.467 14.029 1.00 33.33 ? 1080 TYR A CE1 1 +ATOM 1460 C CE2 . TYR A 1 199 ? 25.102 -33.061 12.484 1.00 32.86 ? 1080 TYR A CE2 1 +ATOM 1461 C CZ . TYR A 1 199 ? 24.362 -32.780 13.620 1.00 42.29 ? 1080 TYR A CZ 1 +ATOM 1462 O OH . TYR A 1 199 ? 23.799 -33.811 14.331 1.00 46.33 ? 1080 TYR A OH 1 +ATOM 1463 N N . ALA A 1 200 ? 26.449 -27.658 8.752 1.00 22.95 ? 1081 ALA A N 1 +ATOM 1464 C CA . ALA A 1 200 ? 27.123 -26.621 7.964 1.00 21.95 ? 1081 ALA A CA 1 +ATOM 1465 C C . ALA A 1 200 ? 26.194 -25.471 7.562 1.00 25.67 ? 1081 ALA A C 1 +ATOM 1466 O O . ALA A 1 200 ? 26.681 -24.362 7.350 1.00 26.73 ? 1081 ALA A O 1 +ATOM 1467 C CB . ALA A 1 200 ? 27.780 -27.230 6.728 1.00 22.26 ? 1081 ALA A CB 1 +ATOM 1468 N N . SER A 1 201 ? 24.869 -25.707 7.496 1.00 22.08 ? 1082 SER A N 1 +ATOM 1469 C CA . SER A 1 201 ? 23.900 -24.645 7.176 1.00 21.63 ? 1082 SER A CA 1 +ATOM 1470 C C . SER A 1 201 ? 23.834 -23.629 8.323 1.00 25.26 ? 1082 SER A C 1 +ATOM 1471 O O . SER A 1 201 ? 23.768 -22.428 8.063 1.00 25.38 ? 1082 SER A O 1 +ATOM 1472 C CB . SER A 1 201 ? 22.524 -25.220 6.855 1.00 24.17 ? 1082 SER A CB 1 +ATOM 1473 O OG . SER A 1 201 ? 22.593 -26.339 5.987 1.00 26.38 ? 1082 SER A OG 1 +ATOM 1474 N N . ASP A 1 202 ? 23.942 -24.103 9.583 1.00 22.07 ? 1083 ASP A N 1 +ATOM 1475 C CA . ASP A 1 202 ? 24.020 -23.246 10.777 1.00 22.78 ? 1083 ASP A CA 1 +ATOM 1476 C C . ASP A 1 202 ? 25.300 -22.368 10.782 1.00 27.59 ? 1083 ASP A C 1 +ATOM 1477 O O . ASP A 1 202 ? 25.272 -21.257 11.320 1.00 27.87 ? 1083 ASP A O 1 +ATOM 1478 C CB . ASP A 1 202 ? 23.965 -24.084 12.072 1.00 25.03 ? 1083 ASP A CB 1 +ATOM 1479 C CG . ASP A 1 202 ? 22.575 -24.272 12.648 1.00 35.31 ? 1083 ASP A CG 1 +ATOM 1480 O OD1 . ASP A 1 202 ? 21.699 -23.412 12.392 1.00 35.77 ? 1083 ASP A OD1 1 +ATOM 1481 O OD2 . ASP A 1 202 ? 22.376 -25.245 13.401 1.00 41.55 ? 1083 ASP A OD2 1 +ATOM 1482 N N . VAL A 1 203 ? 26.409 -22.868 10.175 1.00 23.69 ? 1084 VAL A N 1 +ATOM 1483 C CA . VAL A 1 203 ? 27.689 -22.141 10.073 1.00 22.92 ? 1084 VAL A CA 1 +ATOM 1484 C C . VAL A 1 203 ? 27.516 -20.932 9.156 1.00 26.99 ? 1084 VAL A C 1 +ATOM 1485 O O . VAL A 1 203 ? 28.032 -19.850 9.456 1.00 26.60 ? 1084 VAL A O 1 +ATOM 1486 C CB . VAL A 1 203 ? 28.874 -23.069 9.658 1.00 25.11 ? 1084 VAL A CB 1 +ATOM 1487 C CG1 . VAL A 1 203 ? 30.137 -22.271 9.313 1.00 24.37 ? 1084 VAL A CG1 1 +ATOM 1488 C CG2 . VAL A 1 203 ? 29.161 -24.103 10.744 1.00 24.26 ? 1084 VAL A CG2 1 +ATOM 1489 N N . TRP A 1 204 ? 26.752 -21.109 8.063 1.00 24.26 ? 1085 TRP A N 1 +ATOM 1490 C CA . TRP A 1 204 ? 26.443 -20.028 7.126 1.00 23.97 ? 1085 TRP A CA 1 +ATOM 1491 C C . TRP A 1 204 ? 25.690 -18.906 7.862 1.00 27.76 ? 1085 TRP A C 1 +ATOM 1492 O O . TRP A 1 204 ? 26.061 -17.743 7.719 1.00 27.66 ? 1085 TRP A O 1 +ATOM 1493 C CB . TRP A 1 204 ? 25.650 -20.557 5.906 1.00 22.38 ? 1085 TRP A CB 1 +ATOM 1494 C CG . TRP A 1 204 ? 25.166 -19.478 4.982 1.00 23.04 ? 1085 TRP A CG 1 +ATOM 1495 C CD1 . TRP A 1 204 ? 24.224 -18.525 5.257 1.00 26.36 ? 1085 TRP A CD1 1 +ATOM 1496 C CD2 . TRP A 1 204 ? 25.573 -19.261 3.627 1.00 22.82 ? 1085 TRP A CD2 1 +ATOM 1497 N NE1 . TRP A 1 204 ? 24.040 -17.712 4.168 1.00 26.47 ? 1085 TRP A NE1 1 +ATOM 1498 C CE2 . TRP A 1 204 ? 24.854 -18.140 3.148 1.00 27.39 ? 1085 TRP A CE2 1 +ATOM 1499 C CE3 . TRP A 1 204 ? 26.457 -19.922 2.755 1.00 23.86 ? 1085 TRP A CE3 1 +ATOM 1500 C CZ2 . TRP A 1 204 ? 25.017 -17.646 1.852 1.00 26.62 ? 1085 TRP A CZ2 1 +ATOM 1501 C CZ3 . TRP A 1 204 ? 26.619 -19.431 1.469 1.00 25.67 ? 1085 TRP A CZ3 1 +ATOM 1502 C CH2 . TRP A 1 204 ? 25.920 -18.296 1.033 1.00 26.81 ? 1085 TRP A CH2 1 +ATOM 1503 N N . SER A 1 205 ? 24.673 -19.261 8.677 1.00 25.80 ? 1086 SER A N 1 +ATOM 1504 C CA . SER A 1 205 ? 23.876 -18.302 9.485 1.00 25.93 ? 1086 SER A CA 1 +ATOM 1505 C C . SER A 1 205 ? 24.775 -17.580 10.469 1.00 28.36 ? 1086 SER A C 1 +ATOM 1506 O O . SER A 1 205 ? 24.613 -16.370 10.675 1.00 28.26 ? 1086 SER A O 1 +ATOM 1507 C CB . SER A 1 205 ? 22.733 -19.000 10.225 1.00 27.56 ? 1086 SER A CB 1 +ATOM 1508 O OG . SER A 1 205 ? 21.945 -19.782 9.341 1.00 29.40 ? 1086 SER A OG 1 +ATOM 1509 N N . PHE A 1 206 ? 25.750 -18.317 11.051 1.00 24.38 ? 1087 PHE A N 1 +ATOM 1510 C CA . PHE A 1 206 ? 26.730 -17.727 11.964 1.00 25.15 ? 1087 PHE A CA 1 +ATOM 1511 C C . PHE A 1 206 ? 27.529 -16.655 11.237 1.00 29.65 ? 1087 PHE A C 1 +ATOM 1512 O O . PHE A 1 206 ? 27.768 -15.599 11.814 1.00 29.98 ? 1087 PHE A O 1 +ATOM 1513 C CB . PHE A 1 206 ? 27.657 -18.785 12.593 1.00 27.36 ? 1087 PHE A CB 1 +ATOM 1514 C CG . PHE A 1 206 ? 28.885 -18.160 13.207 1.00 29.54 ? 1087 PHE A CG 1 +ATOM 1515 C CD1 . PHE A 1 206 ? 28.797 -17.436 14.395 1.00 33.33 ? 1087 PHE A CD1 1 +ATOM 1516 C CD2 . PHE A 1 206 ? 30.112 -18.210 12.550 1.00 30.98 ? 1087 PHE A CD2 1 +ATOM 1517 C CE1 . PHE A 1 206 ? 29.917 -16.786 14.917 1.00 34.59 ? 1087 PHE A CE1 1 +ATOM 1518 C CE2 . PHE A 1 206 ? 31.231 -17.554 13.074 1.00 33.92 ? 1087 PHE A CE2 1 +ATOM 1519 C CZ . PHE A 1 206 ? 31.124 -16.844 14.247 1.00 32.88 ? 1087 PHE A CZ 1 +ATOM 1520 N N . GLY A 1 207 ? 27.910 -16.937 9.980 1.00 26.43 ? 1088 GLY A N 1 +ATOM 1521 C CA . GLY A 1 207 ? 28.634 -16.009 9.116 1.00 26.30 ? 1088 GLY A CA 1 +ATOM 1522 C C . GLY A 1 207 ? 27.884 -14.709 8.926 1.00 29.68 ? 1088 GLY A C 1 +ATOM 1523 O O . GLY A 1 207 ? 28.483 -13.630 8.957 1.00 30.41 ? 1088 GLY A O 1 +ATOM 1524 N N . VAL A 1 208 ? 26.557 -14.817 8.754 1.00 25.95 ? 1089 VAL A N 1 +ATOM 1525 C CA . VAL A 1 208 ? 25.636 -13.685 8.616 1.00 26.09 ? 1089 VAL A CA 1 +ATOM 1526 C C . VAL A 1 208 ? 25.507 -12.966 9.976 1.00 30.29 ? 1089 VAL A C 1 +ATOM 1527 O O . VAL A 1 208 ? 25.550 -11.732 10.019 1.00 31.70 ? 1089 VAL A O 1 +ATOM 1528 C CB . VAL A 1 208 ? 24.253 -14.101 8.026 1.00 29.51 ? 1089 VAL A CB 1 +ATOM 1529 C CG1 . VAL A 1 208 ? 23.382 -12.876 7.787 1.00 30.08 ? 1089 VAL A CG1 1 +ATOM 1530 C CG2 . VAL A 1 208 ? 24.409 -14.900 6.721 1.00 27.74 ? 1089 VAL A CG2 1 +ATOM 1531 N N . THR A 1 209 ? 25.388 -13.735 11.086 1.00 25.71 ? 1090 THR A N 1 +ATOM 1532 C CA . THR A 1 209 ? 25.316 -13.178 12.455 1.00 25.97 ? 1090 THR A CA 1 +ATOM 1533 C C . THR A 1 209 ? 26.627 -12.410 12.753 1.00 29.60 ? 1090 THR A C 1 +ATOM 1534 O O . THR A 1 209 ? 26.577 -11.318 13.317 1.00 30.03 ? 1090 THR A O 1 +ATOM 1535 C CB . THR A 1 209 ? 25.003 -14.287 13.493 1.00 34.61 ? 1090 THR A CB 1 +ATOM 1536 O OG1 . THR A 1 209 ? 23.835 -15.003 13.090 1.00 36.36 ? 1090 THR A OG1 1 +ATOM 1537 C CG2 . THR A 1 209 ? 24.793 -13.745 14.918 1.00 33.20 ? 1090 THR A CG2 1 +ATOM 1538 N N . LEU A 1 210 ? 27.787 -12.964 12.327 1.00 24.96 ? 1091 LEU A N 1 +ATOM 1539 C CA . LEU A 1 210 ? 29.119 -12.344 12.472 1.00 24.72 ? 1091 LEU A CA 1 +ATOM 1540 C C . LEU A 1 210 ? 29.155 -11.020 11.686 1.00 29.97 ? 1091 LEU A C 1 +ATOM 1541 O O . LEU A 1 210 ? 29.665 -10.021 12.196 1.00 29.61 ? 1091 LEU A O 1 +ATOM 1542 C CB . LEU A 1 210 ? 30.235 -13.325 12.016 1.00 23.10 ? 1091 LEU A CB 1 +ATOM 1543 C CG . LEU A 1 210 ? 31.713 -12.849 12.041 1.00 27.11 ? 1091 LEU A CG 1 +ATOM 1544 C CD1 . LEU A 1 210 ? 32.146 -12.341 13.424 1.00 27.91 ? 1091 LEU A CD1 1 +ATOM 1545 C CD2 . LEU A 1 210 ? 32.656 -13.972 11.599 1.00 26.37 ? 1091 LEU A CD2 1 +ATOM 1546 N N . TYR A 1 211 ? 28.561 -11.015 10.457 1.00 27.66 ? 1092 TYR A N 1 +ATOM 1547 C CA . TYR A 1 211 ? 28.398 -9.815 9.628 1.00 28.12 ? 1092 TYR A CA 1 +ATOM 1548 C C . TYR A 1 211 ? 27.562 -8.783 10.416 1.00 32.99 ? 1092 TYR A C 1 +ATOM 1549 O O . TYR A 1 211 ? 27.938 -7.610 10.463 1.00 34.14 ? 1092 TYR A O 1 +ATOM 1550 C CB . TYR A 1 211 ? 27.758 -10.149 8.263 1.00 28.48 ? 1092 TYR A CB 1 +ATOM 1551 C CG . TYR A 1 211 ? 27.203 -8.938 7.542 1.00 31.21 ? 1092 TYR A CG 1 +ATOM 1552 C CD1 . TYR A 1 211 ? 28.016 -8.147 6.737 1.00 33.20 ? 1092 TYR A CD1 1 +ATOM 1553 C CD2 . TYR A 1 211 ? 25.863 -8.576 7.672 1.00 32.54 ? 1092 TYR A CD2 1 +ATOM 1554 C CE1 . TYR A 1 211 ? 27.522 -7.007 6.109 1.00 33.94 ? 1092 TYR A CE1 1 +ATOM 1555 C CE2 . TYR A 1 211 ? 25.358 -7.441 7.045 1.00 34.44 ? 1092 TYR A CE2 1 +ATOM 1556 C CZ . TYR A 1 211 ? 26.189 -6.664 6.257 1.00 42.33 ? 1092 TYR A CZ 1 +ATOM 1557 O OH . TYR A 1 211 ? 25.700 -5.547 5.627 1.00 47.02 ? 1092 TYR A OH 1 +ATOM 1558 N N . GLU A 1 212 ? 26.460 -9.235 11.061 1.00 29.40 ? 1093 GLU A N 1 +ATOM 1559 C CA . GLU A 1 212 ? 25.598 -8.379 11.901 1.00 29.85 ? 1093 GLU A CA 1 +ATOM 1560 C C . GLU A 1 212 ? 26.365 -7.712 13.032 1.00 35.59 ? 1093 GLU A C 1 +ATOM 1561 O O . GLU A 1 212 ? 26.216 -6.504 13.209 1.00 38.31 ? 1093 GLU A O 1 +ATOM 1562 C CB . GLU A 1 212 ? 24.392 -9.142 12.465 1.00 30.17 ? 1093 GLU A CB 1 +ATOM 1563 C CG . GLU A 1 212 ? 23.359 -9.534 11.424 1.00 30.19 ? 1093 GLU A CG 1 +ATOM 1564 C CD . GLU A 1 212 ? 22.112 -10.105 12.061 1.00 39.47 ? 1093 GLU A CD 1 +ATOM 1565 O OE1 . GLU A 1 212 ? 22.098 -11.322 12.360 1.00 21.04 ? 1093 GLU A OE1 1 +ATOM 1566 O OE2 . GLU A 1 212 ? 21.180 -9.315 12.346 1.00 34.91 ? 1093 GLU A OE2 1 +ATOM 1567 N N . LEU A 1 213 ? 27.198 -8.477 13.783 1.00 31.85 ? 1094 LEU A N 1 +ATOM 1568 C CA . LEU A 1 213 ? 27.999 -7.937 14.896 1.00 32.61 ? 1094 LEU A CA 1 +ATOM 1569 C C . LEU A 1 213 ? 28.964 -6.842 14.423 1.00 36.89 ? 1094 LEU A C 1 +ATOM 1570 O O . LEU A 1 213 ? 29.115 -5.814 15.091 1.00 37.60 ? 1094 LEU A O 1 +ATOM 1571 C CB . LEU A 1 213 ? 28.777 -9.043 15.656 1.00 32.18 ? 1094 LEU A CB 1 +ATOM 1572 C CG . LEU A 1 213 ? 27.985 -10.248 16.228 1.00 36.89 ? 1094 LEU A CG 1 +ATOM 1573 C CD1 . LEU A 1 213 ? 28.927 -11.353 16.697 1.00 35.27 ? 1094 LEU A CD1 1 +ATOM 1574 C CD2 . LEU A 1 213 ? 27.070 -9.835 17.379 1.00 41.94 ? 1094 LEU A CD2 1 +ATOM 1575 N N . LEU A 1 214 ? 29.599 -7.061 13.260 1.00 33.42 ? 1095 LEU A N 1 +ATOM 1576 C CA . LEU A 1 214 ? 30.542 -6.117 12.667 1.00 34.39 ? 1095 LEU A CA 1 +ATOM 1577 C C . LEU A 1 214 ? 29.896 -4.830 12.105 1.00 38.23 ? 1095 LEU A C 1 +ATOM 1578 O O . LEU A 1 214 ? 30.578 -3.806 12.004 1.00 38.76 ? 1095 LEU A O 1 +ATOM 1579 C CB . LEU A 1 214 ? 31.495 -6.820 11.677 1.00 33.49 ? 1095 LEU A CB 1 +ATOM 1580 C CG . LEU A 1 214 ? 32.802 -7.448 12.261 1.00 37.80 ? 1095 LEU A CG 1 +ATOM 1581 C CD1 . LEU A 1 214 ? 33.780 -6.397 12.771 1.00 39.45 ? 1095 LEU A CD1 1 +ATOM 1582 C CD2 . LEU A 1 214 ? 32.531 -8.525 13.313 1.00 37.39 ? 1095 LEU A CD2 1 +ATOM 1583 N N . THR A 1 215 ? 28.573 -4.862 11.818 1.00 33.31 ? 1096 THR A N 1 +ATOM 1584 C CA . THR A 1 215 ? 27.810 -3.672 11.398 1.00 35.04 ? 1096 THR A CA 1 +ATOM 1585 C C . THR A 1 215 ? 27.231 -2.964 12.647 1.00 42.36 ? 1096 THR A C 1 +ATOM 1586 O O . THR A 1 215 ? 26.585 -1.920 12.509 1.00 43.78 ? 1096 THR A O 1 +ATOM 1587 C CB . THR A 1 215 ? 26.644 -4.035 10.462 1.00 41.97 ? 1096 THR A CB 1 +ATOM 1588 O OG1 . THR A 1 215 ? 25.740 -4.903 11.146 1.00 41.45 ? 1096 THR A OG1 1 +ATOM 1589 C CG2 . THR A 1 215 ? 27.095 -4.645 9.131 1.00 38.34 ? 1096 THR A CG2 1 +ATOM 1590 N N . HIS A 1 216 ? 27.446 -3.558 13.862 1.00 38.32 ? 1097 HIS A N 1 +ATOM 1591 C CA . HIS A 1 216 ? 26.940 -3.123 15.174 1.00 39.42 ? 1097 HIS A CA 1 +ATOM 1592 C C . HIS A 1 216 ? 25.409 -3.184 15.151 1.00 45.68 ? 1097 HIS A C 1 +ATOM 1593 O O . HIS A 1 216 ? 24.724 -2.351 15.750 1.00 47.24 ? 1097 HIS A O 1 +ATOM 1594 C CB . HIS A 1 216 ? 27.465 -1.726 15.573 1.00 41.99 ? 1097 HIS A CB 1 +ATOM 1595 C CG . HIS A 1 216 ? 28.955 -1.634 15.657 1.00 45.10 ? 1097 HIS A CG 1 +ATOM 1596 N ND1 . HIS A 1 216 ? 29.607 -1.543 16.877 1.00 46.96 ? 1097 HIS A ND1 1 +ATOM 1597 C CD2 . HIS A 1 216 ? 29.877 -1.622 14.664 1.00 46.12 ? 1097 HIS A CD2 1 +ATOM 1598 C CE1 . HIS A 1 216 ? 30.895 -1.470 16.588 1.00 46.43 ? 1097 HIS A CE1 1 +ATOM 1599 N NE2 . HIS A 1 216 ? 31.104 -1.526 15.266 1.00 46.31 ? 1097 HIS A NE2 1 +ATOM 1600 N N . CYS A 1 217 ? 24.883 -4.184 14.417 1.00 42.43 ? 1098 CYS A N 1 +ATOM 1601 C CA . CYS A 1 217 ? 23.462 -4.412 14.172 1.00 42.89 ? 1098 CYS A CA 1 +ATOM 1602 C C . CYS A 1 217 ? 22.706 -3.184 13.670 1.00 50.27 ? 1098 CYS A C 1 +ATOM 1603 O O . CYS A 1 217 ? 21.551 -2.962 14.042 1.00 51.72 ? 1098 CYS A O 1 +ATOM 1604 C CB . CYS A 1 217 ? 22.789 -5.072 15.366 1.00 43.23 ? 1098 CYS A CB 1 +ATOM 1605 S SG . CYS A 1 217 ? 23.264 -6.797 15.591 1.00 44.91 ? 1098 CYS A SG 1 +ATOM 1606 N N . ASP A 1 218 ? 23.378 -2.382 12.820 1.00 48.56 ? 1099 ASP A N 1 +ATOM 1607 C CA . ASP A 1 218 ? 22.809 -1.190 12.199 1.00 51.25 ? 1099 ASP A CA 1 +ATOM 1608 C C . ASP A 1 218 ? 21.761 -1.653 11.185 1.00 56.98 ? 1099 ASP A C 1 +ATOM 1609 O O . ASP A 1 218 ? 22.047 -2.514 10.348 1.00 56.06 ? 1099 ASP A O 1 +ATOM 1610 C CB . ASP A 1 218 ? 23.919 -0.347 11.530 1.00 53.86 ? 1099 ASP A CB 1 +ATOM 1611 C CG . ASP A 1 218 ? 23.502 0.921 10.790 1.00 65.60 ? 1099 ASP A CG 1 +ATOM 1612 O OD1 . ASP A 1 218 ? 22.283 1.208 10.725 1.00 66.06 ? 1099 ASP A OD1 1 +ATOM 1613 O OD2 . ASP A 1 218 ? 24.394 1.613 10.253 1.00 72.87 ? 1099 ASP A OD2 1 +ATOM 1614 N N . SER A 1 219 ? 20.539 -1.107 11.302 1.00 55.81 ? 1100 SER A N 1 +ATOM 1615 C CA . SER A 1 219 ? 19.385 -1.422 10.458 1.00 55.57 ? 1100 SER A CA 1 +ATOM 1616 C C . SER A 1 219 ? 19.619 -1.116 8.991 1.00 58.97 ? 1100 SER A C 1 +ATOM 1617 O O . SER A 1 219 ? 19.140 -1.866 8.149 1.00 57.84 ? 1100 SER A O 1 +ATOM 1618 C CB . SER A 1 219 ? 18.148 -0.681 10.951 1.00 62.33 ? 1100 SER A CB 1 +ATOM 1619 O OG . SER A 1 219 ? 17.060 -1.576 11.107 1.00 73.76 ? 1100 SER A OG 1 +ATOM 1620 N N . SER A 1 220 ? 20.359 -0.028 8.681 1.00 57.34 ? 1101 SER A N 1 +ATOM 1621 C CA . SER A 1 220 ? 20.687 0.379 7.304 1.00 57.48 ? 1101 SER A CA 1 +ATOM 1622 C C . SER A 1 220 ? 21.586 -0.628 6.584 1.00 58.83 ? 1101 SER A C 1 +ATOM 1623 O O . SER A 1 220 ? 21.614 -0.646 5.353 1.00 59.27 ? 1101 SER A O 1 +ATOM 1624 C CB . SER A 1 220 ? 21.332 1.764 7.282 1.00 63.41 ? 1101 SER A CB 1 +ATOM 1625 O OG . SER A 1 220 ? 22.582 1.827 7.947 1.00 73.71 ? 1101 SER A OG 1 +ATOM 1626 N N . GLN A 1 221 ? 22.308 -1.462 7.363 1.00 52.36 ? 1102 GLN A N 1 +ATOM 1627 C CA . GLN A 1 221 ? 23.251 -2.478 6.897 1.00 48.99 ? 1102 GLN A CA 1 +ATOM 1628 C C . GLN A 1 221 ? 22.740 -3.928 7.109 1.00 48.88 ? 1102 GLN A C 1 +ATOM 1629 O O . GLN A 1 221 ? 23.481 -4.870 6.822 1.00 46.73 ? 1102 GLN A O 1 +ATOM 1630 C CB . GLN A 1 221 ? 24.613 -2.284 7.604 1.00 50.23 ? 1102 GLN A CB 1 +ATOM 1631 C CG . GLN A 1 221 ? 25.375 -1.003 7.245 1.00 65.50 ? 1102 GLN A CG 1 +ATOM 1632 C CD . GLN A 1 221 ? 26.679 -0.876 8.020 1.00 86.57 ? 1102 GLN A CD 1 +ATOM 1633 O OE1 . GLN A 1 221 ? 27.780 -1.043 7.477 1.00 79.91 ? 1102 GLN A OE1 1 +ATOM 1634 N NE2 . GLN A 1 221 ? 26.593 -0.568 9.308 1.00 81.75 ? 1102 GLN A NE2 1 +ATOM 1635 N N . SER A 1 222 ? 21.495 -4.117 7.594 1.00 44.55 ? 1103 SER A N 1 +ATOM 1636 C CA . SER A 1 222 ? 20.941 -5.454 7.859 1.00 43.12 ? 1103 SER A CA 1 +ATOM 1637 C C . SER A 1 222 ? 20.902 -6.403 6.638 1.00 47.96 ? 1103 SER A C 1 +ATOM 1638 O O . SER A 1 222 ? 20.707 -5.921 5.515 1.00 48.72 ? 1103 SER A O 1 +ATOM 1639 C CB . SER A 1 222 ? 19.565 -5.359 8.512 1.00 47.34 ? 1103 SER A CB 1 +ATOM 1640 O OG . SER A 1 222 ? 18.557 -4.999 7.583 1.00 58.78 ? 1103 SER A OG 1 +ATOM 1641 N N . PRO A 1 223 ? 21.057 -7.746 6.838 1.00 42.90 ? 1104 PRO A N 1 +ATOM 1642 C CA . PRO A 1 223 ? 21.017 -8.682 5.692 1.00 41.74 ? 1104 PRO A CA 1 +ATOM 1643 C C . PRO A 1 223 ? 19.796 -8.618 4.757 1.00 47.74 ? 1104 PRO A C 1 +ATOM 1644 O O . PRO A 1 223 ? 20.033 -8.633 3.546 1.00 47.18 ? 1104 PRO A O 1 +ATOM 1645 C CB . PRO A 1 223 ? 21.211 -10.059 6.344 1.00 41.93 ? 1104 PRO A CB 1 +ATOM 1646 C CG . PRO A 1 223 ? 21.920 -9.757 7.622 1.00 45.92 ? 1104 PRO A CG 1 +ATOM 1647 C CD . PRO A 1 223 ? 21.317 -8.476 8.098 1.00 43.22 ? 1104 PRO A CD 1 +ATOM 1648 N N . PRO A 1 224 ? 18.512 -8.517 5.212 1.00 46.26 ? 1105 PRO A N 1 +ATOM 1649 C CA . PRO A 1 224 ? 17.410 -8.422 4.231 1.00 46.42 ? 1105 PRO A CA 1 +ATOM 1650 C C . PRO A 1 224 ? 17.522 -7.159 3.384 1.00 50.89 ? 1105 PRO A C 1 +ATOM 1651 O O . PRO A 1 224 ? 17.351 -7.230 2.175 1.00 51.61 ? 1105 PRO A O 1 +ATOM 1652 C CB . PRO A 1 224 ? 16.147 -8.412 5.105 1.00 49.08 ? 1105 PRO A CB 1 +ATOM 1653 C CG . PRO A 1 224 ? 16.585 -8.978 6.426 1.00 52.75 ? 1105 PRO A CG 1 +ATOM 1654 C CD . PRO A 1 224 ? 17.979 -8.473 6.591 1.00 48.16 ? 1105 PRO A CD 1 +ATOM 1655 N N . THR A 1 225 ? 17.878 -6.030 4.020 1.00 47.04 ? 1106 THR A N 1 +ATOM 1656 C CA . THR A 1 225 ? 18.064 -4.710 3.415 1.00 47.49 ? 1106 THR A CA 1 +ATOM 1657 C C . THR A 1 225 ? 19.223 -4.720 2.412 1.00 49.48 ? 1106 THR A C 1 +ATOM 1658 O O . THR A 1 225 ? 19.051 -4.243 1.292 1.00 48.67 ? 1106 THR A O 1 +ATOM 1659 C CB . THR A 1 225 ? 18.236 -3.651 4.530 1.00 54.19 ? 1106 THR A CB 1 +ATOM 1660 O OG1 . THR A 1 225 ? 17.156 -3.756 5.459 1.00 54.27 ? 1106 THR A OG1 1 +ATOM 1661 C CG2 . THR A 1 225 ? 18.302 -2.241 4.001 1.00 53.58 ? 1106 THR A CG2 1 +ATOM 1662 N N . LYS A 1 226 ? 20.385 -5.280 2.804 1.00 45.80 ? 1107 LYS A N 1 +ATOM 1663 C CA . LYS A 1 226 ? 21.568 -5.349 1.946 1.00 45.20 ? 1107 LYS A CA 1 +ATOM 1664 C C . LYS A 1 226 ? 21.432 -6.282 0.757 1.00 50.08 ? 1107 LYS A C 1 +ATOM 1665 O O . LYS A 1 226 ? 21.834 -5.891 -0.335 1.00 50.14 ? 1107 LYS A O 1 +ATOM 1666 C CB . LYS A 1 226 ? 22.846 -5.610 2.750 1.00 46.54 ? 1107 LYS A CB 1 +ATOM 1667 C CG . LYS A 1 226 ? 23.461 -4.341 3.328 1.00 51.57 ? 1107 LYS A CG 1 +ATOM 1668 C CD . LYS A 1 226 ? 24.268 -3.550 2.294 1.00 55.96 ? 1107 LYS A CD 1 +ATOM 1669 C CE . LYS A 1 226 ? 24.741 -2.229 2.843 1.00 68.73 ? 1107 LYS A CE 1 +ATOM 1670 N NZ . LYS A 1 226 ? 25.402 -1.405 1.796 1.00 78.30 ? 1107 LYS A NZ 1 +ATOM 1671 N N . PHE A 1 227 ? 20.837 -7.486 0.941 1.00 47.25 ? 1108 PHE A N 1 +ATOM 1672 C CA . PHE A 1 227 ? 20.616 -8.435 -0.162 1.00 47.22 ? 1108 PHE A CA 1 +ATOM 1673 C C . PHE A 1 227 ? 19.728 -7.888 -1.276 1.00 54.61 ? 1108 PHE A C 1 +ATOM 1674 O O . PHE A 1 227 ? 19.979 -8.188 -2.442 1.00 54.11 ? 1108 PHE A O 1 +ATOM 1675 C CB . PHE A 1 227 ? 20.106 -9.799 0.325 1.00 47.81 ? 1108 PHE A CB 1 +ATOM 1676 C CG . PHE A 1 227 ? 21.201 -10.761 0.721 1.00 48.15 ? 1108 PHE A CG 1 +ATOM 1677 C CD1 . PHE A 1 227 ? 22.133 -11.204 -0.212 1.00 50.17 ? 1108 PHE A CD1 1 +ATOM 1678 C CD2 . PHE A 1 227 ? 21.286 -11.247 2.022 1.00 49.41 ? 1108 PHE A CD2 1 +ATOM 1679 C CE1 . PHE A 1 227 ? 23.164 -12.070 0.162 1.00 49.80 ? 1108 PHE A CE1 1 +ATOM 1680 C CE2 . PHE A 1 227 ? 22.301 -12.137 2.389 1.00 51.19 ? 1108 PHE A CE2 1 +ATOM 1681 C CZ . PHE A 1 227 ? 23.233 -12.541 1.456 1.00 48.51 ? 1108 PHE A CZ 1 +ATOM 1682 N N . LEU A 1 228 ? 18.712 -7.075 -0.928 1.00 54.71 ? 1109 LEU A N 1 +ATOM 1683 C CA . LEU A 1 228 ? 17.841 -6.439 -1.914 1.00 56.79 ? 1109 LEU A CA 1 +ATOM 1684 C C . LEU A 1 228 ? 18.642 -5.382 -2.692 1.00 65.96 ? 1109 LEU A C 1 +ATOM 1685 O O . LEU A 1 228 ? 18.506 -5.285 -3.913 1.00 65.57 ? 1109 LEU A O 1 +ATOM 1686 C CB . LEU A 1 228 ? 16.614 -5.799 -1.241 1.00 58.19 ? 1109 LEU A CB 1 +ATOM 1687 C CG . LEU A 1 228 ? 15.642 -6.727 -0.492 1.00 62.32 ? 1109 LEU A CG 1 +ATOM 1688 C CD1 . LEU A 1 228 ? 14.747 -5.935 0.434 1.00 63.93 ? 1109 LEU A CD1 1 +ATOM 1689 C CD2 . LEU A 1 228 ? 14.815 -7.594 -1.438 1.00 63.79 ? 1109 LEU A CD2 1 +ATOM 1690 N N . GLU A 1 229 ? 19.521 -4.638 -1.980 1.00 66.83 ? 1110 GLU A N 1 +ATOM 1691 C CA . GLU A 1 229 ? 20.409 -3.608 -2.534 1.00 69.51 ? 1110 GLU A CA 1 +ATOM 1692 C C . GLU A 1 229 ? 21.447 -4.192 -3.502 1.00 76.83 ? 1110 GLU A C 1 +ATOM 1693 O O . GLU A 1 229 ? 21.904 -3.473 -4.392 1.00 77.38 ? 1110 GLU A O 1 +ATOM 1694 C CB . GLU A 1 229 ? 21.151 -2.872 -1.414 1.00 71.67 ? 1110 GLU A CB 1 +ATOM 1695 C CG . GLU A 1 229 ? 20.288 -2.001 -0.525 1.00 82.85 ? 1110 GLU A CG 1 +ATOM 1696 C CD . GLU A 1 229 ? 20.974 -1.485 0.727 1.00 101.48 ? 1110 GLU A CD 1 +ATOM 1697 O OE1 . GLU A 1 229 ? 20.253 -1.147 1.692 1.00 92.12 ? 1110 GLU A OE1 1 +ATOM 1698 O OE2 . GLU A 1 229 ? 22.215 -1.320 0.713 1.00 96.39 ? 1110 GLU A OE2 1 +ATOM 1699 N N . LEU A 1 230 ? 21.835 -5.484 -3.308 1.00 74.91 ? 1111 LEU A N 1 +ATOM 1700 C CA . LEU A 1 230 ? 22.807 -6.219 -4.135 1.00 75.21 ? 1111 LEU A CA 1 +ATOM 1701 C C . LEU A 1 230 ? 22.390 -6.330 -5.605 1.00 81.46 ? 1111 LEU A C 1 +ATOM 1702 O O . LEU A 1 230 ? 23.257 -6.477 -6.466 1.00 81.14 ? 1111 LEU A O 1 +ATOM 1703 C CB . LEU A 1 230 ? 23.115 -7.614 -3.551 1.00 73.80 ? 1111 LEU A CB 1 +ATOM 1704 C CG . LEU A 1 230 ? 24.412 -7.749 -2.736 1.00 78.56 ? 1111 LEU A CG 1 +ATOM 1705 C CD1 . LEU A 1 230 ? 24.303 -8.858 -1.723 1.00 76.93 ? 1111 LEU A CD1 1 +ATOM 1706 C CD2 . LEU A 1 230 ? 25.615 -8.006 -3.635 1.00 81.98 ? 1111 LEU A CD2 1 +ATOM 1707 N N . ILE A 1 231 ? 21.075 -6.252 -5.892 1.00 80.20 ? 1112 ILE A N 1 +ATOM 1708 C CA . ILE A 1 231 ? 20.526 -6.282 -7.258 1.00 81.31 ? 1112 ILE A CA 1 +ATOM 1709 C C . ILE A 1 231 ? 19.773 -4.985 -7.562 1.00 89.20 ? 1112 ILE A C 1 +ATOM 1710 O O . ILE A 1 231 ? 19.795 -4.513 -8.703 1.00 89.92 ? 1112 ILE A O 1 +ATOM 1711 C CB . ILE A 1 231 ? 19.627 -7.511 -7.558 1.00 83.43 ? 1112 ILE A CB 1 +ATOM 1712 C CG1 . ILE A 1 231 ? 19.879 -8.685 -6.613 1.00 82.45 ? 1112 ILE A CG1 1 +ATOM 1713 C CG2 . ILE A 1 231 ? 19.733 -7.931 -9.021 1.00 84.29 ? 1112 ILE A CG2 1 +ATOM 1714 C CD1 . ILE A 1 231 ? 18.820 -8.858 -5.643 1.00 88.73 ? 1112 ILE A CD1 1 +ATOM 1715 N N . GLY A 1 232 ? 19.104 -4.442 -6.543 1.00 87.66 ? 1113 GLY A N 1 +ATOM 1716 C CA . GLY A 1 232 ? 18.318 -3.216 -6.637 1.00 89.74 ? 1113 GLY A CA 1 +ATOM 1717 C C . GLY A 1 232 ? 16.846 -3.489 -6.817 1.00 94.14 ? 1113 GLY A C 1 +ATOM 1718 O O . GLY A 1 232 ? 16.193 -2.892 -7.678 1.00 95.02 ? 1113 GLY A O 1 +ATOM 1719 N N . ILE A 1 233 ? 16.327 -4.402 -5.990 1.00 89.60 ? 1114 ILE A N 1 +ATOM 1720 C CA . ILE A 1 233 ? 14.931 -4.828 -6.010 1.00 89.53 ? 1114 ILE A CA 1 +ATOM 1721 C C . ILE A 1 233 ? 14.183 -4.369 -4.748 1.00 94.04 ? 1114 ILE A C 1 +ATOM 1722 O O . ILE A 1 233 ? 14.803 -4.201 -3.692 1.00 93.33 ? 1114 ILE A O 1 +ATOM 1723 C CB . ILE A 1 233 ? 14.822 -6.353 -6.282 1.00 90.91 ? 1114 ILE A CB 1 +ATOM 1724 C CG1 . ILE A 1 233 ? 15.518 -7.175 -5.177 1.00 90.01 ? 1114 ILE A CG1 1 +ATOM 1725 C CG2 . ILE A 1 233 ? 15.379 -6.696 -7.680 1.00 91.33 ? 1114 ILE A CG2 1 +ATOM 1726 C CD1 . ILE A 1 233 ? 15.144 -8.603 -5.120 1.00 96.23 ? 1114 ILE A CD1 1 +ATOM 1727 N N . ALA A 1 234 ? 12.852 -4.158 -4.875 1.00 91.43 ? 1115 ALA A N 1 +ATOM 1728 C CA . ALA A 1 234 ? 11.950 -3.701 -3.805 1.00 92.13 ? 1115 ALA A CA 1 +ATOM 1729 C C . ALA A 1 234 ? 11.902 -4.657 -2.601 1.00 93.31 ? 1115 ALA A C 1 +ATOM 1730 O O . ALA A 1 234 ? 12.337 -5.807 -2.713 1.00 91.18 ? 1115 ALA A O 1 +ATOM 1731 C CB . ALA A 1 234 ? 10.548 -3.478 -4.362 1.00 94.07 ? 1115 ALA A CB 1 +ATOM 1732 N N . GLN A 1 235 ? 11.347 -4.179 -1.460 1.00 89.34 ? 1116 GLN A N 1 +ATOM 1733 C CA . GLN A 1 235 ? 11.207 -4.898 -0.181 1.00 87.62 ? 1116 GLN A CA 1 +ATOM 1734 C C . GLN A 1 235 ? 10.640 -6.338 -0.235 1.00 87.11 ? 1116 GLN A C 1 +ATOM 1735 O O . GLN A 1 235 ? 10.712 -7.057 0.765 1.00 86.00 ? 1116 GLN A O 1 +ATOM 1736 C CB . GLN A 1 235 ? 10.459 -4.037 0.857 1.00 91.26 ? 1116 GLN A CB 1 +ATOM 1737 C CG . GLN A 1 235 ? 11.317 -2.921 1.461 1.00 112.47 ? 1116 GLN A CG 1 +ATOM 1738 C CD . GLN A 1 235 ? 10.674 -2.259 2.661 1.00 135.00 ? 1116 GLN A CD 1 +ATOM 1739 O OE1 . GLN A 1 235 ? 10.475 -2.877 3.713 1.00 130.16 ? 1116 GLN A OE1 1 +ATOM 1740 N NE2 . GLN A 1 235 ? 10.383 -0.970 2.548 1.00 129.17 ? 1116 GLN A NE2 1 +ATOM 1741 N N . GLY A 1 236 ? 10.105 -6.737 -1.392 1.00 80.92 ? 1117 GLY A N 1 +ATOM 1742 C CA . GLY A 1 236 ? 9.539 -8.062 -1.616 1.00 78.59 ? 1117 GLY A CA 1 +ATOM 1743 C C . GLY A 1 236 ? 9.513 -8.493 -3.070 1.00 78.61 ? 1117 GLY A C 1 +ATOM 1744 O O . GLY A 1 236 ? 8.444 -8.810 -3.601 1.00 80.00 ? 1117 GLY A O 1 +ATOM 1745 N N . GLN A 1 237 ? 10.690 -8.490 -3.730 1.00 69.57 ? 1118 GLN A N 1 +ATOM 1746 C CA . GLN A 1 237 ? 10.860 -8.926 -5.124 1.00 66.21 ? 1118 GLN A CA 1 +ATOM 1747 C C . GLN A 1 237 ? 11.903 -10.066 -5.174 1.00 60.93 ? 1118 GLN A C 1 +ATOM 1748 O O . GLN A 1 237 ? 12.242 -10.585 -6.250 1.00 58.89 ? 1118 GLN A O 1 +ATOM 1749 C CB . GLN A 1 237 ? 11.228 -7.750 -6.054 1.00 68.48 ? 1118 GLN A CB 1 +ATOM 1750 C CG . GLN A 1 237 ? 10.708 -7.919 -7.481 0.30 81.59 ? 1118 GLN A CG 1 +ATOM 1751 C CD . GLN A 1 237 ? 11.076 -6.767 -8.384 0.30 100.40 ? 1118 GLN A CD 1 +ATOM 1752 O OE1 . GLN A 1 237 ? 10.763 -5.601 -8.116 0.30 97.35 ? 1118 GLN A OE1 1 +ATOM 1753 N NE2 . GLN A 1 237 ? 11.704 -7.078 -9.508 0.30 90.60 ? 1118 GLN A NE2 1 +ATOM 1754 N N . MET A 1 238 ? 12.400 -10.454 -3.980 1.00 51.38 ? 1119 MET A N 1 +ATOM 1755 C CA . MET A 1 238 ? 13.350 -11.546 -3.839 1.00 46.87 ? 1119 MET A CA 1 +ATOM 1756 C C . MET A 1 238 ? 12.595 -12.865 -3.787 1.00 44.51 ? 1119 MET A C 1 +ATOM 1757 O O . MET A 1 238 ? 11.881 -13.144 -2.818 1.00 44.22 ? 1119 MET A O 1 +ATOM 1758 C CB . MET A 1 238 ? 14.247 -11.368 -2.604 1.00 48.36 ? 1119 MET A CB 1 +ATOM 1759 C CG . MET A 1 238 ? 15.430 -12.315 -2.586 1.00 50.24 ? 1119 MET A CG 1 +ATOM 1760 S SD . MET A 1 238 ? 16.760 -11.833 -3.717 1.00 53.84 ? 1119 MET A SD 1 +ATOM 1761 C CE . MET A 1 238 ? 17.664 -10.741 -2.680 1.00 50.98 ? 1119 MET A CE 1 +ATOM 1762 N N . THR A 1 239 ? 12.738 -13.649 -4.857 1.00 36.24 ? 1120 THR A N 1 +ATOM 1763 C CA . THR A 1 239 ? 12.160 -14.975 -5.000 1.00 34.54 ? 1120 THR A CA 1 +ATOM 1764 C C . THR A 1 239 ? 13.222 -15.983 -4.516 1.00 36.63 ? 1120 THR A C 1 +ATOM 1765 O O . THR A 1 239 ? 14.400 -15.625 -4.384 1.00 35.82 ? 1120 THR A O 1 +ATOM 1766 C CB . THR A 1 239 ? 11.697 -15.233 -6.455 1.00 35.58 ? 1120 THR A CB 1 +ATOM 1767 O OG1 . THR A 1 239 ? 12.818 -15.461 -7.298 1.00 34.93 ? 1120 THR A OG1 1 +ATOM 1768 C CG2 . THR A 1 239 ? 10.825 -14.109 -7.024 1.00 31.27 ? 1120 THR A CG2 1 +ATOM 1769 N N . VAL A 1 240 ? 12.808 -17.233 -4.234 1.00 31.15 ? 1121 VAL A N 1 +ATOM 1770 C CA . VAL A 1 240 ? 13.711 -18.297 -3.796 1.00 28.48 ? 1121 VAL A CA 1 +ATOM 1771 C C . VAL A 1 240 ? 14.733 -18.608 -4.898 1.00 32.51 ? 1121 VAL A C 1 +ATOM 1772 O O . VAL A 1 240 ? 15.849 -19.004 -4.606 1.00 30.62 ? 1121 VAL A O 1 +ATOM 1773 C CB . VAL A 1 240 ? 12.940 -19.553 -3.296 1.00 31.41 ? 1121 VAL A CB 1 +ATOM 1774 C CG1 . VAL A 1 240 ? 12.210 -20.281 -4.429 1.00 31.20 ? 1121 VAL A CG1 1 +ATOM 1775 C CG2 . VAL A 1 240 ? 13.853 -20.504 -2.524 1.00 30.21 ? 1121 VAL A CG2 1 +ATOM 1776 N N . LEU A 1 241 ? 14.339 -18.405 -6.159 1.00 31.65 ? 1122 LEU A N 1 +ATOM 1777 C CA . LEU A 1 241 ? 15.170 -18.658 -7.323 1.00 31.71 ? 1122 LEU A CA 1 +ATOM 1778 C C . LEU A 1 241 ? 16.213 -17.548 -7.521 1.00 33.55 ? 1122 LEU A C 1 +ATOM 1779 O O . LEU A 1 241 ? 17.380 -17.864 -7.738 1.00 30.76 ? 1122 LEU A O 1 +ATOM 1780 C CB . LEU A 1 241 ? 14.278 -18.864 -8.561 1.00 32.87 ? 1122 LEU A CB 1 +ATOM 1781 C CG . LEU A 1 241 ? 14.953 -19.214 -9.884 1.00 39.32 ? 1122 LEU A CG 1 +ATOM 1782 C CD1 . LEU A 1 241 ? 15.924 -20.401 -9.738 1.00 40.02 ? 1122 LEU A CD1 1 +ATOM 1783 C CD2 . LEU A 1 241 ? 13.902 -19.504 -10.963 1.00 43.43 ? 1122 LEU A CD2 1 +ATOM 1784 N N A ARG A 1 242 ? 15.788 -16.277 -7.443 0.50 31.04 ? 1123 ARG A N 1 +ATOM 1785 N N B ARG A 1 242 ? 15.800 -16.264 -7.439 0.50 31.13 ? 1123 ARG A N 1 +ATOM 1786 C CA A ARG A 1 242 ? 16.666 -15.117 -7.574 0.50 31.11 ? 1123 ARG A CA 1 +ATOM 1787 C CA B ARG A 1 242 ? 16.694 -15.106 -7.583 0.50 31.26 ? 1123 ARG A CA 1 +ATOM 1788 C C A ARG A 1 242 ? 17.747 -15.186 -6.483 0.50 34.29 ? 1123 ARG A C 1 +ATOM 1789 C C B ARG A 1 242 ? 17.747 -15.086 -6.456 0.50 34.33 ? 1123 ARG A C 1 +ATOM 1790 O O A ARG A 1 242 ? 18.933 -15.108 -6.810 0.50 33.78 ? 1123 ARG A O 1 +ATOM 1791 O O B ARG A 1 242 ? 18.914 -14.786 -6.723 0.50 33.81 ? 1123 ARG A O 1 +ATOM 1792 C CB A ARG A 1 242 ? 15.847 -13.818 -7.465 0.50 33.10 ? 1123 ARG A CB 1 +ATOM 1793 C CB B ARG A 1 242 ? 15.892 -13.787 -7.635 0.50 33.67 ? 1123 ARG A CB 1 +ATOM 1794 C CG A ARG A 1 242 ? 16.505 -12.599 -8.096 0.50 45.46 ? 1123 ARG A CG 1 +ATOM 1795 C CG B ARG A 1 242 ? 16.687 -12.573 -8.134 0.50 48.12 ? 1123 ARG A CG 1 +ATOM 1796 C CD A ARG A 1 242 ? 15.545 -11.427 -8.114 0.50 57.52 ? 1123 ARG A CD 1 +ATOM 1797 C CD B ARG A 1 242 ? 16.639 -12.416 -9.647 0.50 63.61 ? 1123 ARG A CD 1 +ATOM 1798 N NE A ARG A 1 242 ? 15.699 -10.609 -9.317 0.50 65.45 ? 1123 ARG A NE 1 +ATOM 1799 N NE B ARG A 1 242 ? 17.951 -12.066 -10.196 0.50 74.44 ? 1123 ARG A NE 1 +ATOM 1800 C CZ A ARG A 1 242 ? 14.829 -9.686 -9.715 0.50 82.38 ? 1123 ARG A CZ 1 +ATOM 1801 C CZ B ARG A 1 242 ? 18.279 -10.869 -10.675 0.50 91.22 ? 1123 ARG A CZ 1 +ATOM 1802 N NH1 A ARG A 1 242 ? 13.726 -9.456 -9.013 0.50 70.75 ? 1123 ARG A NH1 1 +ATOM 1803 N NH1 B ARG A 1 242 ? 19.499 -10.650 -11.148 0.50 78.48 ? 1123 ARG A NH1 1 +ATOM 1804 N NH2 A ARG A 1 242 ? 15.052 -8.990 -10.822 0.50 72.53 ? 1123 ARG A NH2 1 +ATOM 1805 N NH2 B ARG A 1 242 ? 17.386 -9.887 -10.698 0.50 80.32 ? 1123 ARG A NH2 1 +ATOM 1806 N N . LEU A 1 243 ? 17.338 -15.434 -5.212 1.00 29.56 ? 1124 LEU A N 1 +ATOM 1807 C CA . LEU A 1 243 ? 18.244 -15.534 -4.057 1.00 27.67 ? 1124 LEU A CA 1 +ATOM 1808 C C . LEU A 1 243 ? 19.213 -16.708 -4.214 1.00 32.01 ? 1124 LEU A C 1 +ATOM 1809 O O . LEU A 1 243 ? 20.405 -16.525 -3.973 1.00 31.33 ? 1124 LEU A O 1 +ATOM 1810 C CB . LEU A 1 243 ? 17.486 -15.605 -2.710 1.00 27.22 ? 1124 LEU A CB 1 +ATOM 1811 C CG . LEU A 1 243 ? 18.325 -15.545 -1.399 1.00 30.04 ? 1124 LEU A CG 1 +ATOM 1812 C CD1 . LEU A 1 243 ? 19.265 -14.340 -1.365 1.00 29.86 ? 1124 LEU A CD1 1 +ATOM 1813 C CD2 . LEU A 1 243 ? 17.428 -15.522 -0.164 1.00 30.41 ? 1124 LEU A CD2 1 +ATOM 1814 N N . THR A 1 244 ? 18.712 -17.890 -4.658 1.00 28.87 ? 1125 THR A N 1 +ATOM 1815 C CA . THR A 1 244 ? 19.515 -19.102 -4.907 1.00 28.42 ? 1125 THR A CA 1 +ATOM 1816 C C . THR A 1 244 ? 20.595 -18.842 -5.965 1.00 32.87 ? 1125 THR A C 1 +ATOM 1817 O O . THR A 1 244 ? 21.756 -19.184 -5.743 1.00 31.89 ? 1125 THR A O 1 +ATOM 1818 C CB . THR A 1 244 ? 18.596 -20.293 -5.255 1.00 31.11 ? 1125 THR A CB 1 +ATOM 1819 O OG1 . THR A 1 244 ? 17.939 -20.688 -4.060 1.00 34.70 ? 1125 THR A OG1 1 +ATOM 1820 C CG2 . THR A 1 244 ? 19.332 -21.494 -5.830 1.00 27.01 ? 1125 THR A CG2 1 +ATOM 1821 N N . GLU A 1 245 ? 20.202 -18.234 -7.103 1.00 30.52 ? 1126 GLU A N 1 +ATOM 1822 C CA . GLU A 1 245 ? 21.106 -17.902 -8.216 1.00 30.05 ? 1126 GLU A CA 1 +ATOM 1823 C C . GLU A 1 245 ? 22.200 -16.903 -7.821 1.00 33.65 ? 1126 GLU A C 1 +ATOM 1824 O O . GLU A 1 245 ? 23.332 -17.089 -8.240 1.00 33.44 ? 1126 GLU A O 1 +ATOM 1825 C CB . GLU A 1 245 ? 20.331 -17.388 -9.425 1.00 31.85 ? 1126 GLU A CB 1 +ATOM 1826 C CG . GLU A 1 245 ? 19.452 -18.434 -10.096 1.00 41.68 ? 1126 GLU A CG 1 +ATOM 1827 C CD . GLU A 1 245 ? 18.541 -17.903 -11.189 1.00 56.01 ? 1126 GLU A CD 1 +ATOM 1828 O OE1 . GLU A 1 245 ? 17.938 -18.735 -11.902 1.00 36.53 ? 1126 GLU A OE1 1 +ATOM 1829 O OE2 . GLU A 1 245 ? 18.430 -16.664 -11.340 1.00 49.03 ? 1126 GLU A OE2 1 +ATOM 1830 N N A LEU A 1 246 ? 21.874 -15.865 -7.015 0.50 29.81 ? 1127 LEU A N 1 +ATOM 1831 N N B LEU A 1 246 ? 21.852 -15.869 -7.020 0.50 30.56 ? 1127 LEU A N 1 +ATOM 1832 C CA A LEU A 1 246 ? 22.850 -14.863 -6.562 0.50 29.62 ? 1127 LEU A CA 1 +ATOM 1833 C CA B LEU A 1 246 ? 22.754 -14.827 -6.517 0.50 30.69 ? 1127 LEU A CA 1 +ATOM 1834 C C A LEU A 1 246 ? 23.898 -15.495 -5.653 0.50 32.32 ? 1127 LEU A C 1 +ATOM 1835 C C B LEU A 1 246 ? 23.850 -15.444 -5.626 0.50 32.86 ? 1127 LEU A C 1 +ATOM 1836 O O A LEU A 1 246 ? 25.089 -15.216 -5.811 0.50 31.25 ? 1127 LEU A O 1 +ATOM 1837 O O B LEU A 1 246 ? 25.028 -15.120 -5.794 0.50 31.92 ? 1127 LEU A O 1 +ATOM 1838 C CB A LEU A 1 246 ? 22.172 -13.712 -5.809 0.50 30.17 ? 1127 LEU A CB 1 +ATOM 1839 C CB B LEU A 1 246 ? 21.928 -13.768 -5.751 0.50 31.54 ? 1127 LEU A CB 1 +ATOM 1840 C CG A LEU A 1 246 ? 21.199 -12.844 -6.571 0.50 35.36 ? 1127 LEU A CG 1 +ATOM 1841 C CG B LEU A 1 246 ? 22.677 -12.722 -4.922 0.50 37.26 ? 1127 LEU A CG 1 +ATOM 1842 C CD1 A LEU A 1 246 ? 20.192 -12.244 -5.629 0.50 35.81 ? 1127 LEU A CD1 1 +ATOM 1843 C CD1 B LEU A 1 246 ? 22.268 -11.319 -5.324 0.50 39.24 ? 1127 LEU A CD1 1 +ATOM 1844 C CD2 A LEU A 1 246 ? 21.909 -11.786 -7.389 0.50 38.20 ? 1127 LEU A CD2 1 +ATOM 1845 C CD2 B LEU A 1 246 ? 22.434 -12.925 -3.440 0.50 38.37 ? 1127 LEU A CD2 1 +ATOM 1846 N N . LEU A 1 247 ? 23.451 -16.344 -4.700 1.00 28.88 ? 1128 LEU A N 1 +ATOM 1847 C CA . LEU A 1 247 ? 24.347 -17.045 -3.776 1.00 28.86 ? 1128 LEU A CA 1 +ATOM 1848 C C . LEU A 1 247 ? 25.247 -18.039 -4.533 1.00 34.60 ? 1128 LEU A C 1 +ATOM 1849 O O . LEU A 1 247 ? 26.446 -18.059 -4.276 1.00 34.61 ? 1128 LEU A O 1 +ATOM 1850 C CB . LEU A 1 247 ? 23.574 -17.755 -2.653 1.00 28.30 ? 1128 LEU A CB 1 +ATOM 1851 C CG . LEU A 1 247 ? 22.720 -16.916 -1.703 1.00 32.60 ? 1128 LEU A CG 1 +ATOM 1852 C CD1 . LEU A 1 247 ? 21.985 -17.810 -0.710 1.00 32.20 ? 1128 LEU A CD1 1 +ATOM 1853 C CD2 . LEU A 1 247 ? 23.540 -15.867 -0.971 1.00 35.71 ? 1128 LEU A CD2 1 +ATOM 1854 N N . GLU A 1 248 ? 24.676 -18.814 -5.497 1.00 31.89 ? 1129 GLU A N 1 +ATOM 1855 C CA . GLU A 1 248 ? 25.410 -19.763 -6.343 1.00 32.27 ? 1129 GLU A CA 1 +ATOM 1856 C C . GLU A 1 248 ? 26.437 -19.044 -7.250 1.00 36.37 ? 1129 GLU A C 1 +ATOM 1857 O O . GLU A 1 248 ? 27.487 -19.610 -7.549 1.00 34.77 ? 1129 GLU A O 1 +ATOM 1858 C CB . GLU A 1 248 ? 24.445 -20.638 -7.173 1.00 33.98 ? 1129 GLU A CB 1 +ATOM 1859 C CG . GLU A 1 248 ? 23.798 -21.752 -6.358 1.00 43.96 ? 1129 GLU A CG 1 +ATOM 1860 C CD . GLU A 1 248 ? 22.903 -22.719 -7.112 1.00 72.41 ? 1129 GLU A CD 1 +ATOM 1861 O OE1 . GLU A 1 248 ? 23.073 -23.943 -6.915 1.00 85.71 ? 1129 GLU A OE1 1 +ATOM 1862 O OE2 . GLU A 1 248 ? 22.021 -22.265 -7.879 1.00 58.59 ? 1129 GLU A OE2 1 +ATOM 1863 N N . ARG A 1 249 ? 26.129 -17.787 -7.648 1.00 33.82 ? 1130 ARG A N 1 +ATOM 1864 C CA . ARG A 1 249 ? 26.957 -16.882 -8.456 1.00 34.57 ? 1130 ARG A CA 1 +ATOM 1865 C C . ARG A 1 249 ? 28.073 -16.243 -7.588 1.00 39.32 ? 1130 ARG A C 1 +ATOM 1866 O O . ARG A 1 249 ? 28.856 -15.445 -8.094 1.00 40.52 ? 1130 ARG A O 1 +ATOM 1867 C CB . ARG A 1 249 ? 26.070 -15.761 -9.020 1.00 37.01 ? 1130 ARG A CB 1 +ATOM 1868 C CG . ARG A 1 249 ? 26.382 -15.344 -10.446 1.00 54.00 ? 1130 ARG A CG 1 +ATOM 1869 C CD . ARG A 1 249 ? 25.710 -14.027 -10.790 1.00 67.29 ? 1130 ARG A CD 1 +ATOM 1870 N NE . ARG A 1 249 ? 24.249 -14.137 -10.808 1.00 81.00 ? 1130 ARG A NE 1 +ATOM 1871 C CZ . ARG A 1 249 ? 23.415 -13.134 -10.549 1.00 96.26 ? 1130 ARG A CZ 1 +ATOM 1872 N NH1 . ARG A 1 249 ? 23.886 -11.930 -10.242 1.00 84.59 ? 1130 ARG A NH1 1 +ATOM 1873 N NH2 . ARG A 1 249 ? 22.104 -13.328 -10.589 1.00 81.56 ? 1130 ARG A NH2 1 +ATOM 1874 N N . GLY A 1 250 ? 28.102 -16.561 -6.295 1.00 34.43 ? 1131 GLY A N 1 +ATOM 1875 C CA . GLY A 1 250 ? 29.109 -16.057 -5.368 1.00 34.12 ? 1131 GLY A CA 1 +ATOM 1876 C C . GLY A 1 250 ? 28.928 -14.647 -4.841 1.00 37.72 ? 1131 GLY A C 1 +ATOM 1877 O O . GLY A 1 250 ? 29.866 -14.090 -4.261 1.00 37.79 ? 1131 GLY A O 1 +ATOM 1878 N N . GLU A 1 251 ? 27.727 -14.061 -5.009 1.00 34.26 ? 1132 GLU A N 1 +ATOM 1879 C CA . GLU A 1 251 ? 27.454 -12.723 -4.479 1.00 33.92 ? 1132 GLU A CA 1 +ATOM 1880 C C . GLU A 1 251 ? 27.199 -12.800 -2.980 1.00 34.46 ? 1132 GLU A C 1 +ATOM 1881 O O . GLU A 1 251 ? 26.519 -13.716 -2.508 1.00 33.00 ? 1132 GLU A O 1 +ATOM 1882 C CB . GLU A 1 251 ? 26.381 -11.975 -5.277 1.00 35.89 ? 1132 GLU A CB 1 +ATOM 1883 C CG . GLU A 1 251 ? 26.988 -11.291 -6.502 1.00 49.06 ? 1132 GLU A CG 1 +ATOM 1884 C CD . GLU A 1 251 ? 26.077 -10.547 -7.462 1.00 85.98 ? 1132 GLU A CD 1 +ATOM 1885 O OE1 . GLU A 1 251 ? 24.928 -10.222 -7.084 1.00 90.61 ? 1132 GLU A OE1 1 +ATOM 1886 O OE2 . GLU A 1 251 ? 26.535 -10.252 -8.591 1.00 90.50 ? 1132 GLU A OE2 1 +ATOM 1887 N N . ARG A 1 252 ? 27.876 -11.927 -2.222 1.00 29.74 ? 1133 ARG A N 1 +ATOM 1888 C CA . ARG A 1 252 ? 27.836 -11.948 -0.760 1.00 28.86 ? 1133 ARG A CA 1 +ATOM 1889 C C . ARG A 1 252 ? 27.624 -10.575 -0.166 1.00 32.78 ? 1133 ARG A C 1 +ATOM 1890 O O . ARG A 1 252 ? 27.834 -9.575 -0.849 1.00 33.44 ? 1133 ARG A O 1 +ATOM 1891 C CB . ARG A 1 252 ? 29.149 -12.552 -0.177 1.00 25.58 ? 1133 ARG A CB 1 +ATOM 1892 C CG . ARG A 1 252 ? 29.468 -14.010 -0.538 1.00 30.28 ? 1133 ARG A CG 1 +ATOM 1893 C CD . ARG A 1 252 ? 28.445 -14.992 0.001 1.00 29.14 ? 1133 ARG A CD 1 +ATOM 1894 N NE . ARG A 1 252 ? 28.776 -16.378 -0.338 1.00 32.00 ? 1133 ARG A NE 1 +ATOM 1895 C CZ . ARG A 1 252 ? 28.318 -17.033 -1.403 1.00 42.35 ? 1133 ARG A CZ 1 +ATOM 1896 N NH1 . ARG A 1 252 ? 27.503 -16.432 -2.265 1.00 24.72 ? 1133 ARG A NH1 1 +ATOM 1897 N NH2 . ARG A 1 252 ? 28.657 -18.299 -1.605 1.00 29.60 ? 1133 ARG A NH2 1 +ATOM 1898 N N . LEU A 1 253 ? 27.289 -10.532 1.140 1.00 29.08 ? 1134 LEU A N 1 +ATOM 1899 C CA . LEU A 1 253 ? 27.140 -9.290 1.897 1.00 29.72 ? 1134 LEU A CA 1 +ATOM 1900 C C . LEU A 1 253 ? 28.476 -8.522 1.850 1.00 32.99 ? 1134 LEU A C 1 +ATOM 1901 O O . LEU A 1 253 ? 29.522 -9.162 1.743 1.00 31.19 ? 1134 LEU A O 1 +ATOM 1902 C CB . LEU A 1 253 ? 26.690 -9.580 3.348 1.00 29.37 ? 1134 LEU A CB 1 +ATOM 1903 C CG . LEU A 1 253 ? 25.249 -10.140 3.507 1.00 33.35 ? 1134 LEU A CG 1 +ATOM 1904 C CD1 . LEU A 1 253 ? 25.065 -10.878 4.835 1.00 32.35 ? 1134 LEU A CD1 1 +ATOM 1905 C CD2 . LEU A 1 253 ? 24.186 -9.045 3.341 1.00 35.08 ? 1134 LEU A CD2 1 +ATOM 1906 N N . PRO A 1 254 ? 28.483 -7.170 1.827 1.00 31.53 ? 1135 PRO A N 1 +ATOM 1907 C CA . PRO A 1 254 ? 29.759 -6.456 1.709 1.00 32.37 ? 1135 PRO A CA 1 +ATOM 1908 C C . PRO A 1 254 ? 30.533 -6.442 3.018 1.00 36.02 ? 1135 PRO A C 1 +ATOM 1909 O O . PRO A 1 254 ? 29.998 -6.870 4.046 1.00 36.11 ? 1135 PRO A O 1 +ATOM 1910 C CB . PRO A 1 254 ? 29.315 -5.046 1.313 1.00 36.01 ? 1135 PRO A CB 1 +ATOM 1911 C CG . PRO A 1 254 ? 28.029 -4.871 2.039 1.00 40.50 ? 1135 PRO A CG 1 +ATOM 1912 C CD . PRO A 1 254 ? 27.355 -6.219 1.930 1.00 34.35 ? 1135 PRO A CD 1 +ATOM 1913 N N A ARG A 1 255 ? 31.780 -5.947 2.989 0.50 33.30 ? 1136 ARG A N 1 +ATOM 1914 N N B ARG A 1 255 ? 31.783 -5.949 2.990 0.50 32.71 ? 1136 ARG A N 1 +ATOM 1915 C CA A ARG A 1 255 ? 32.612 -5.840 4.183 0.50 33.61 ? 1136 ARG A CA 1 +ATOM 1916 C CA B ARG A 1 255 ? 32.597 -5.848 4.198 0.50 32.72 ? 1136 ARG A CA 1 +ATOM 1917 C C A ARG A 1 255 ? 32.067 -4.680 5.036 0.50 39.93 ? 1136 ARG A C 1 +ATOM 1918 C C B ARG A 1 255 ? 32.056 -4.682 5.036 0.50 39.52 ? 1136 ARG A C 1 +ATOM 1919 O O A ARG A 1 255 ? 32.039 -3.542 4.550 0.50 40.80 ? 1136 ARG A O 1 +ATOM 1920 O O B ARG A 1 255 ? 32.029 -3.547 4.544 0.50 40.38 ? 1136 ARG A O 1 +ATOM 1921 C CB A ARG A 1 255 ? 34.092 -5.613 3.801 0.50 33.44 ? 1136 ARG A CB 1 +ATOM 1922 C CB B ARG A 1 255 ? 34.092 -5.646 3.868 0.50 30.99 ? 1136 ARG A CB 1 +ATOM 1923 C CG A ARG A 1 255 ? 35.067 -5.644 4.978 0.50 40.83 ? 1136 ARG A CG 1 +ATOM 1924 C CG B ARG A 1 255 ? 35.014 -5.743 5.089 0.50 32.61 ? 1136 ARG A CG 1 +ATOM 1925 C CD A ARG A 1 255 ? 36.495 -5.441 4.508 0.50 50.33 ? 1136 ARG A CD 1 +ATOM 1926 C CD B ARG A 1 255 ? 36.474 -5.578 4.712 0.50 35.31 ? 1136 ARG A CD 1 +ATOM 1927 N NE A ARG A 1 255 ? 37.197 -4.446 5.316 0.50 63.62 ? 1136 ARG A NE 1 +ATOM 1928 N NE B ARG A 1 255 ? 36.841 -4.167 4.589 0.50 45.69 ? 1136 ARG A NE 1 +ATOM 1929 C CZ A ARG A 1 255 ? 37.254 -3.148 5.034 0.50 78.54 ? 1136 ARG A CZ 1 +ATOM 1930 C CZ B ARG A 1 255 ? 37.702 -3.686 3.700 0.50 59.49 ? 1136 ARG A CZ 1 +ATOM 1931 N NH1 A ARG A 1 255 ? 37.908 -2.317 5.834 0.50 64.68 ? 1136 ARG A NH1 1 +ATOM 1932 N NH1 B ARG A 1 255 ? 37.977 -2.389 3.668 0.50 47.39 ? 1136 ARG A NH1 1 +ATOM 1933 N NH2 A ARG A 1 255 ? 36.659 -2.671 3.947 0.50 67.34 ? 1136 ARG A NH2 1 +ATOM 1934 N NH2 B ARG A 1 255 ? 38.292 -4.496 2.831 0.50 47.59 ? 1136 ARG A NH2 1 +ATOM 1935 N N . PRO A 1 256 ? 31.604 -4.944 6.288 1.00 37.10 ? 1137 PRO A N 1 +ATOM 1936 C CA . PRO A 1 256 ? 31.081 -3.851 7.132 1.00 39.06 ? 1137 PRO A CA 1 +ATOM 1937 C C . PRO A 1 256 ? 32.122 -2.773 7.406 1.00 47.02 ? 1137 PRO A C 1 +ATOM 1938 O O . PRO A 1 256 ? 33.315 -3.067 7.404 1.00 46.57 ? 1137 PRO A O 1 +ATOM 1939 C CB . PRO A 1 256 ? 30.682 -4.564 8.428 1.00 39.75 ? 1137 PRO A CB 1 +ATOM 1940 C CG . PRO A 1 256 ? 30.496 -5.981 8.050 1.00 41.70 ? 1137 PRO A CG 1 +ATOM 1941 C CD . PRO A 1 256 ? 31.544 -6.232 7.013 1.00 37.22 ? 1137 PRO A CD 1 +ATOM 1942 N N . ASP A 1 257 ? 31.677 -1.522 7.578 1.00 47.29 ? 1138 ASP A N 1 +ATOM 1943 C CA . ASP A 1 257 ? 32.577 -0.402 7.824 1.00 49.79 ? 1138 ASP A CA 1 +ATOM 1944 C C . ASP A 1 257 ? 33.458 -0.668 9.051 1.00 53.45 ? 1138 ASP A C 1 +ATOM 1945 O O . ASP A 1 257 ? 32.976 -1.175 10.070 1.00 52.30 ? 1138 ASP A O 1 +ATOM 1946 C CB . ASP A 1 257 ? 31.800 0.919 7.935 1.00 54.29 ? 1138 ASP A CB 1 +ATOM 1947 C CG . ASP A 1 257 ? 32.693 2.136 7.847 1.00 73.33 ? 1138 ASP A CG 1 +ATOM 1948 O OD1 . ASP A 1 257 ? 32.942 2.766 8.900 1.00 76.64 ? 1138 ASP A OD1 1 +ATOM 1949 O OD2 . ASP A 1 257 ? 33.176 2.437 6.733 1.00 82.75 ? 1138 ASP A OD2 1 +ATOM 1950 N N . LYS A 1 258 ? 34.773 -0.422 8.896 1.00 50.50 ? 1139 LYS A N 1 +ATOM 1951 C CA . LYS A 1 258 ? 35.816 -0.642 9.905 1.00 49.74 ? 1139 LYS A CA 1 +ATOM 1952 C C . LYS A 1 258 ? 36.071 -2.133 10.240 1.00 50.02 ? 1139 LYS A C 1 +ATOM 1953 O O . LYS A 1 258 ? 36.852 -2.420 11.146 1.00 50.04 ? 1139 LYS A O 1 +ATOM 1954 C CB . LYS A 1 258 ? 35.627 0.250 11.155 1.00 53.62 ? 1139 LYS A CB 1 +ATOM 1955 C CG . LYS A 1 258 ? 35.804 1.738 10.860 1.00 70.02 ? 1139 LYS A CG 1 +ATOM 1956 C CD . LYS A 1 258 ? 35.075 2.626 11.859 1.00 81.75 ? 1139 LYS A CD 1 +ATOM 1957 C CE . LYS A 1 258 ? 36.022 3.315 12.809 1.00 93.15 ? 1139 LYS A CE 1 +ATOM 1958 N NZ . LYS A 1 258 ? 35.332 4.360 13.609 1.00 105.57 ? 1139 LYS A NZ 1 +ATOM 1959 N N . CYS A 1 259 ? 35.461 -3.075 9.479 1.00 43.57 ? 1140 CYS A N 1 +ATOM 1960 C CA . CYS A 1 259 ? 35.675 -4.513 9.683 1.00 40.76 ? 1140 CYS A CA 1 +ATOM 1961 C C . CYS A 1 259 ? 37.029 -4.920 9.104 1.00 44.17 ? 1140 CYS A C 1 +ATOM 1962 O O . CYS A 1 259 ? 37.291 -4.632 7.926 1.00 43.39 ? 1140 CYS A O 1 +ATOM 1963 C CB . CYS A 1 259 ? 34.541 -5.352 9.096 1.00 38.75 ? 1140 CYS A CB 1 +ATOM 1964 S SG . CYS A 1 259 ? 34.766 -7.149 9.253 1.00 40.13 ? 1140 CYS A SG 1 +ATOM 1965 N N . PRO A 1 260 ? 37.894 -5.591 9.909 1.00 39.60 ? 1141 PRO A N 1 +ATOM 1966 C CA . PRO A 1 260 ? 39.199 -6.027 9.380 1.00 39.52 ? 1141 PRO A CA 1 +ATOM 1967 C C . PRO A 1 260 ? 39.010 -7.099 8.326 1.00 41.38 ? 1141 PRO A C 1 +ATOM 1968 O O . PRO A 1 260 ? 38.179 -8.000 8.498 1.00 39.19 ? 1141 PRO A O 1 +ATOM 1969 C CB . PRO A 1 260 ? 39.940 -6.578 10.613 1.00 41.00 ? 1141 PRO A CB 1 +ATOM 1970 C CG . PRO A 1 260 ? 39.125 -6.192 11.782 1.00 45.42 ? 1141 PRO A CG 1 +ATOM 1971 C CD . PRO A 1 260 ? 37.714 -6.028 11.306 1.00 40.16 ? 1141 PRO A CD 1 +ATOM 1972 N N . CYS A 1 261 ? 39.750 -6.969 7.223 1.00 38.84 ? 1142 CYS A N 1 +ATOM 1973 C CA . CYS A 1 261 ? 39.704 -7.884 6.086 1.00 38.17 ? 1142 CYS A CA 1 +ATOM 1974 C C . CYS A 1 261 ? 39.707 -9.359 6.510 1.00 37.87 ? 1142 CYS A C 1 +ATOM 1975 O O . CYS A 1 261 ? 38.878 -10.114 6.015 1.00 35.92 ? 1142 CYS A O 1 +ATOM 1976 C CB . CYS A 1 261 ? 40.816 -7.568 5.087 1.00 40.32 ? 1142 CYS A CB 1 +ATOM 1977 S SG . CYS A 1 261 ? 40.592 -5.995 4.205 1.00 46.44 ? 1142 CYS A SG 1 +ATOM 1978 N N . GLU A 1 262 ? 40.561 -9.738 7.485 1.00 33.18 ? 1143 GLU A N 1 +ATOM 1979 C CA . GLU A 1 262 ? 40.646 -11.113 7.994 1.00 30.89 ? 1143 GLU A CA 1 +ATOM 1980 C C . GLU A 1 262 ? 39.368 -11.594 8.711 1.00 32.76 ? 1143 GLU A C 1 +ATOM 1981 O O . GLU A 1 262 ? 39.082 -12.790 8.661 1.00 31.04 ? 1143 GLU A O 1 +ATOM 1982 C CB . GLU A 1 262 ? 41.928 -11.343 8.837 1.00 32.39 ? 1143 GLU A CB 1 +ATOM 1983 C CG . GLU A 1 262 ? 41.797 -11.007 10.305 1.00 40.69 ? 1143 GLU A CG 1 +ATOM 1984 C CD . GLU A 1 262 ? 43.008 -11.323 11.156 1.00 58.82 ? 1143 GLU A CD 1 +ATOM 1985 O OE1 . GLU A 1 262 ? 43.288 -12.522 11.393 1.00 44.13 ? 1143 GLU A OE1 1 +ATOM 1986 O OE2 . GLU A 1 262 ? 43.643 -10.360 11.639 1.00 49.78 ? 1143 GLU A OE2 1 +ATOM 1987 N N . VAL A 1 263 ? 38.625 -10.676 9.394 1.00 29.65 ? 1144 VAL A N 1 +ATOM 1988 C CA . VAL A 1 263 ? 37.358 -11.014 10.067 1.00 28.42 ? 1144 VAL A CA 1 +ATOM 1989 C C . VAL A 1 263 ? 36.320 -11.210 8.950 1.00 30.33 ? 1144 VAL A C 1 +ATOM 1990 O O . VAL A 1 263 ? 35.543 -12.165 8.996 1.00 29.21 ? 1144 VAL A O 1 +ATOM 1991 C CB . VAL A 1 263 ? 36.923 -9.974 11.154 1.00 33.25 ? 1144 VAL A CB 1 +ATOM 1992 C CG1 . VAL A 1 263 ? 35.531 -10.282 11.722 1.00 32.05 ? 1144 VAL A CG1 1 +ATOM 1993 C CG2 . VAL A 1 263 ? 37.944 -9.899 12.285 1.00 33.57 ? 1144 VAL A CG2 1 +ATOM 1994 N N . TYR A 1 264 ? 36.373 -10.358 7.909 1.00 26.86 ? 1145 TYR A N 1 +ATOM 1995 C CA . TYR A 1 264 ? 35.512 -10.490 6.736 1.00 25.85 ? 1145 TYR A CA 1 +ATOM 1996 C C . TYR A 1 264 ? 35.794 -11.790 5.962 1.00 28.77 ? 1145 TYR A C 1 +ATOM 1997 O O . TYR A 1 264 ? 34.850 -12.470 5.555 1.00 26.04 ? 1145 TYR A O 1 +ATOM 1998 C CB . TYR A 1 264 ? 35.629 -9.278 5.811 1.00 28.10 ? 1145 TYR A CB 1 +ATOM 1999 C CG . TYR A 1 264 ? 34.714 -9.350 4.601 1.00 30.00 ? 1145 TYR A CG 1 +ATOM 2000 C CD1 . TYR A 1 264 ? 33.349 -9.607 4.745 1.00 31.02 ? 1145 TYR A CD1 1 +ATOM 2001 C CD2 . TYR A 1 264 ? 35.206 -9.142 3.314 1.00 31.06 ? 1145 TYR A CD2 1 +ATOM 2002 C CE1 . TYR A 1 264 ? 32.504 -9.673 3.637 1.00 31.46 ? 1145 TYR A CE1 1 +ATOM 2003 C CE2 . TYR A 1 264 ? 34.366 -9.198 2.198 1.00 31.34 ? 1145 TYR A CE2 1 +ATOM 2004 C CZ . TYR A 1 264 ? 33.013 -9.448 2.369 1.00 36.67 ? 1145 TYR A CZ 1 +ATOM 2005 O OH . TYR A 1 264 ? 32.172 -9.490 1.289 1.00 34.26 ? 1145 TYR A OH 1 +ATOM 2006 N N . HIS A 1 265 ? 37.085 -12.145 5.777 1.00 26.06 ? 1146 HIS A N 1 +ATOM 2007 C CA . HIS A 1 265 ? 37.474 -13.372 5.077 1.00 25.38 ? 1146 HIS A CA 1 +ATOM 2008 C C . HIS A 1 265 ? 36.971 -14.618 5.802 1.00 30.60 ? 1146 HIS A C 1 +ATOM 2009 O O . HIS A 1 265 ? 36.679 -15.635 5.159 1.00 30.17 ? 1146 HIS A O 1 +ATOM 2010 C CB . HIS A 1 265 ? 38.993 -13.419 4.844 1.00 26.65 ? 1146 HIS A CB 1 +ATOM 2011 C CG . HIS A 1 265 ? 39.505 -12.306 3.978 1.00 30.03 ? 1146 HIS A CG 1 +ATOM 2012 N ND1 . HIS A 1 265 ? 40.760 -11.785 4.159 1.00 32.56 ? 1146 HIS A ND1 1 +ATOM 2013 C CD2 . HIS A 1 265 ? 38.880 -11.608 2.999 1.00 30.88 ? 1146 HIS A CD2 1 +ATOM 2014 C CE1 . HIS A 1 265 ? 40.878 -10.815 3.267 1.00 32.63 ? 1146 HIS A CE1 1 +ATOM 2015 N NE2 . HIS A 1 265 ? 39.767 -10.667 2.557 1.00 32.06 ? 1146 HIS A NE2 1 +ATOM 2016 N N . LEU A 1 266 ? 36.814 -14.515 7.134 1.00 29.27 ? 1147 LEU A N 1 +ATOM 2017 C CA . LEU A 1 266 ? 36.265 -15.578 7.973 1.00 29.09 ? 1147 LEU A CA 1 +ATOM 2018 C C . LEU A 1 266 ? 34.767 -15.764 7.681 1.00 29.68 ? 1147 LEU A C 1 +ATOM 2019 O O . LEU A 1 266 ? 34.310 -16.898 7.578 1.00 29.11 ? 1147 LEU A O 1 +ATOM 2020 C CB . LEU A 1 266 ? 36.489 -15.265 9.447 1.00 30.38 ? 1147 LEU A CB 1 +ATOM 2021 C CG . LEU A 1 266 ? 36.347 -16.443 10.383 1.00 36.56 ? 1147 LEU A CG 1 +ATOM 2022 C CD1 . LEU A 1 266 ? 37.552 -17.409 10.237 1.00 37.43 ? 1147 LEU A CD1 1 +ATOM 2023 C CD2 . LEU A 1 266 ? 36.183 -15.967 11.821 1.00 40.21 ? 1147 LEU A CD2 1 +ATOM 2024 N N . MET A 1 267 ? 34.022 -14.654 7.522 1.00 24.54 ? 1148 MET A N 1 +ATOM 2025 C CA . MET A 1 267 ? 32.593 -14.667 7.162 1.00 22.94 ? 1148 MET A CA 1 +ATOM 2026 C C . MET A 1 267 ? 32.456 -15.377 5.819 1.00 27.18 ? 1148 MET A C 1 +ATOM 2027 O O . MET A 1 267 ? 31.638 -16.285 5.681 1.00 28.00 ? 1148 MET A O 1 +ATOM 2028 C CB . MET A 1 267 ? 32.038 -13.235 7.027 1.00 25.21 ? 1148 MET A CB 1 +ATOM 2029 C CG . MET A 1 267 ? 32.089 -12.420 8.279 1.00 28.03 ? 1148 MET A CG 1 +ATOM 2030 S SD . MET A 1 267 ? 31.589 -10.731 7.922 1.00 32.65 ? 1148 MET A SD 1 +ATOM 2031 C CE . MET A 1 267 ? 32.138 -9.916 9.381 1.00 29.92 ? 1148 MET A CE 1 +ATOM 2032 N N . LYS A 1 268 ? 33.306 -15.004 4.849 1.00 23.42 ? 1149 LYS A N 1 +ATOM 2033 C CA . LYS A 1 268 ? 33.322 -15.614 3.519 1.00 22.68 ? 1149 LYS A CA 1 +ATOM 2034 C C . LYS A 1 268 ? 33.575 -17.138 3.576 1.00 27.85 ? 1149 LYS A C 1 +ATOM 2035 O O . LYS A 1 268 ? 32.929 -17.875 2.842 1.00 27.74 ? 1149 LYS A O 1 +ATOM 2036 C CB . LYS A 1 268 ? 34.301 -14.879 2.602 1.00 24.32 ? 1149 LYS A CB 1 +ATOM 2037 C CG . LYS A 1 268 ? 33.709 -13.610 1.996 1.00 25.92 ? 1149 LYS A CG 1 +ATOM 2038 C CD . LYS A 1 268 ? 34.698 -12.832 1.123 1.00 26.29 ? 1149 LYS A CD 1 +ATOM 2039 C CE . LYS A 1 268 ? 34.616 -13.216 -0.336 1.00 30.11 ? 1149 LYS A CE 1 +ATOM 2040 N NZ . LYS A 1 268 ? 35.383 -12.283 -1.211 1.00 30.96 ? 1149 LYS A NZ 1 +ATOM 2041 N N . ASN A 1 269 ? 34.459 -17.611 4.487 1.00 24.61 ? 1150 ASN A N 1 +ATOM 2042 C CA . ASN A 1 269 ? 34.729 -19.036 4.714 1.00 23.53 ? 1150 ASN A CA 1 +ATOM 2043 C C . ASN A 1 269 ? 33.430 -19.697 5.197 1.00 27.97 ? 1150 ASN A C 1 +ATOM 2044 O O . ASN A 1 269 ? 33.086 -20.783 4.729 1.00 27.10 ? 1150 ASN A O 1 +ATOM 2045 C CB . ASN A 1 269 ? 35.852 -19.231 5.765 1.00 23.20 ? 1150 ASN A CB 1 +ATOM 2046 C CG . ASN A 1 269 ? 37.250 -18.855 5.318 1.00 37.26 ? 1150 ASN A CG 1 +ATOM 2047 O OD1 . ASN A 1 269 ? 37.584 -18.828 4.135 1.00 31.06 ? 1150 ASN A OD1 1 +ATOM 2048 N ND2 . ASN A 1 269 ? 38.116 -18.587 6.270 1.00 28.49 ? 1150 ASN A ND2 1 +ATOM 2049 N N . CYS A 1 270 ? 32.679 -19.016 6.106 1.00 24.75 ? 1151 CYS A N 1 +ATOM 2050 C CA . CYS A 1 270 ? 31.390 -19.527 6.587 1.00 24.26 ? 1151 CYS A CA 1 +ATOM 2051 C C . CYS A 1 270 ? 30.348 -19.504 5.487 1.00 26.96 ? 1151 CYS A C 1 +ATOM 2052 O O . CYS A 1 270 ? 29.399 -20.280 5.544 1.00 28.10 ? 1151 CYS A O 1 +ATOM 2053 C CB . CYS A 1 270 ? 30.919 -18.759 7.817 1.00 24.72 ? 1151 CYS A CB 1 +ATOM 2054 S SG . CYS A 1 270 ? 32.033 -18.897 9.230 1.00 28.50 ? 1151 CYS A SG 1 +ATOM 2055 N N . TRP A 1 271 ? 30.532 -18.626 4.480 1.00 22.46 ? 1152 TRP A N 1 +ATOM 2056 C CA . TRP A 1 271 ? 29.660 -18.498 3.311 1.00 21.79 ? 1152 TRP A CA 1 +ATOM 2057 C C . TRP A 1 271 ? 30.111 -19.294 2.096 1.00 27.12 ? 1152 TRP A C 1 +ATOM 2058 O O . TRP A 1 271 ? 29.731 -18.948 0.979 1.00 28.19 ? 1152 TRP A O 1 +ATOM 2059 C CB . TRP A 1 271 ? 29.477 -17.031 2.913 1.00 20.33 ? 1152 TRP A CB 1 +ATOM 2060 C CG . TRP A 1 271 ? 28.870 -16.175 3.972 1.00 20.37 ? 1152 TRP A CG 1 +ATOM 2061 C CD1 . TRP A 1 271 ? 27.946 -16.545 4.904 1.00 22.89 ? 1152 TRP A CD1 1 +ATOM 2062 C CD2 . TRP A 1 271 ? 29.128 -14.784 4.187 1.00 20.73 ? 1152 TRP A CD2 1 +ATOM 2063 N NE1 . TRP A 1 271 ? 27.655 -15.483 5.728 1.00 23.07 ? 1152 TRP A NE1 1 +ATOM 2064 C CE2 . TRP A 1 271 ? 28.359 -14.383 5.304 1.00 24.96 ? 1152 TRP A CE2 1 +ATOM 2065 C CE3 . TRP A 1 271 ? 29.950 -13.834 3.552 1.00 22.22 ? 1152 TRP A CE3 1 +ATOM 2066 C CZ2 . TRP A 1 271 ? 28.352 -13.063 5.773 1.00 24.78 ? 1152 TRP A CZ2 1 +ATOM 2067 C CZ3 . TRP A 1 271 ? 29.968 -12.536 4.040 1.00 24.40 ? 1152 TRP A CZ3 1 +ATOM 2068 C CH2 . TRP A 1 271 ? 29.165 -12.158 5.128 1.00 25.28 ? 1152 TRP A CH2 1 +ATOM 2069 N N . GLU A 1 272 ? 30.903 -20.351 2.280 1.00 24.18 ? 1153 GLU A N 1 +ATOM 2070 C CA . GLU A 1 272 ? 31.309 -21.147 1.129 1.00 24.71 ? 1153 GLU A CA 1 +ATOM 2071 C C . GLU A 1 272 ? 30.064 -21.808 0.520 1.00 28.80 ? 1153 GLU A C 1 +ATOM 2072 O O . GLU A 1 272 ? 29.192 -22.267 1.259 1.00 28.09 ? 1153 GLU A O 1 +ATOM 2073 C CB . GLU A 1 272 ? 32.379 -22.187 1.518 1.00 26.07 ? 1153 GLU A CB 1 +ATOM 2074 C CG . GLU A 1 272 ? 33.804 -21.654 1.464 1.00 30.04 ? 1153 GLU A CG 1 +ATOM 2075 C CD . GLU A 1 272 ? 34.302 -21.263 0.080 1.00 47.46 ? 1153 GLU A CD 1 +ATOM 2076 O OE1 . GLU A 1 272 ? 35.140 -20.337 0.000 1.00 36.49 ? 1153 GLU A OE1 1 +ATOM 2077 O OE2 . GLU A 1 272 ? 33.819 -21.835 -0.926 1.00 46.47 ? 1153 GLU A OE2 1 +ATOM 2078 N N . THR A 1 273 ? 29.945 -21.772 -0.815 1.00 25.85 ? 1154 THR A N 1 +ATOM 2079 C CA . THR A 1 273 ? 28.807 -22.341 -1.549 1.00 25.28 ? 1154 THR A CA 1 +ATOM 2080 C C . THR A 1 273 ? 28.568 -23.785 -1.146 1.00 29.86 ? 1154 THR A C 1 +ATOM 2081 O O . THR A 1 273 ? 27.457 -24.125 -0.747 1.00 30.27 ? 1154 THR A O 1 +ATOM 2082 C CB . THR A 1 273 ? 28.956 -22.128 -3.059 1.00 32.31 ? 1154 THR A CB 1 +ATOM 2083 O OG1 . THR A 1 273 ? 29.181 -20.735 -3.293 1.00 35.64 ? 1154 THR A OG1 1 +ATOM 2084 C CG2 . THR A 1 273 ? 27.713 -22.566 -3.833 1.00 30.61 ? 1154 THR A CG2 1 +ATOM 2085 N N . GLU A 1 274 ? 29.623 -24.609 -1.201 1.00 26.82 ? 1155 GLU A N 1 +ATOM 2086 C CA . GLU A 1 274 ? 29.593 -26.006 -0.805 1.00 26.45 ? 1155 GLU A CA 1 +ATOM 2087 C C . GLU A 1 274 ? 29.568 -26.097 0.706 1.00 29.41 ? 1155 GLU A C 1 +ATOM 2088 O O . GLU A 1 274 ? 30.404 -25.486 1.372 1.00 29.07 ? 1155 GLU A O 1 +ATOM 2089 C CB . GLU A 1 274 ? 30.773 -26.779 -1.406 1.00 28.25 ? 1155 GLU A CB 1 +ATOM 2090 C CG . GLU A 1 274 ? 30.651 -26.996 -2.906 1.00 44.38 ? 1155 GLU A CG 1 +ATOM 2091 C CD . GLU A 1 274 ? 29.365 -27.656 -3.372 1.00 77.13 ? 1155 GLU A CD 1 +ATOM 2092 O OE1 . GLU A 1 274 ? 29.007 -28.727 -2.828 1.00 73.28 ? 1155 GLU A OE1 1 +ATOM 2093 O OE2 . GLU A 1 274 ? 28.703 -27.084 -4.269 1.00 76.62 ? 1155 GLU A OE2 1 +ATOM 2094 N N . ALA A 1 275 ? 28.570 -26.818 1.232 1.00 25.57 ? 1156 ALA A N 1 +ATOM 2095 C CA . ALA A 1 275 ? 28.328 -26.991 2.663 1.00 25.45 ? 1156 ALA A CA 1 +ATOM 2096 C C . ALA A 1 275 ? 29.489 -27.707 3.357 1.00 29.22 ? 1156 ALA A C 1 +ATOM 2097 O O . ALA A 1 275 ? 29.928 -27.267 4.413 1.00 29.24 ? 1156 ALA A O 1 +ATOM 2098 C CB . ALA A 1 275 ? 27.017 -27.745 2.890 1.00 26.05 ? 1156 ALA A CB 1 +ATOM 2099 N N . SER A 1 276 ? 30.020 -28.766 2.728 1.00 25.55 ? 1157 SER A N 1 +ATOM 2100 C CA . SER A 1 276 ? 31.144 -29.564 3.230 1.00 25.21 ? 1157 SER A CA 1 +ATOM 2101 C C . SER A 1 276 ? 32.456 -28.759 3.321 1.00 27.65 ? 1157 SER A C 1 +ATOM 2102 O O . SER A 1 276 ? 33.354 -29.159 4.057 1.00 28.30 ? 1157 SER A O 1 +ATOM 2103 C CB . SER A 1 276 ? 31.349 -30.779 2.336 1.00 27.52 ? 1157 SER A CB 1 +ATOM 2104 O OG . SER A 1 276 ? 31.604 -30.347 1.010 1.00 34.10 ? 1157 SER A OG 1 +ATOM 2105 N N . PHE A 1 277 ? 32.559 -27.639 2.584 1.00 22.24 ? 1158 PHE A N 1 +ATOM 2106 C CA . PHE A 1 277 ? 33.757 -26.800 2.564 1.00 22.25 ? 1158 PHE A CA 1 +ATOM 2107 C C . PHE A 1 277 ? 33.756 -25.677 3.615 1.00 27.18 ? 1158 PHE A C 1 +ATOM 2108 O O . PHE A 1 277 ? 34.757 -24.975 3.770 1.00 26.37 ? 1158 PHE A O 1 +ATOM 2109 C CB . PHE A 1 277 ? 34.010 -26.266 1.142 1.00 23.41 ? 1158 PHE A CB 1 +ATOM 2110 C CG . PHE A 1 277 ? 35.426 -25.853 0.824 1.00 24.63 ? 1158 PHE A CG 1 +ATOM 2111 C CD1 . PHE A 1 277 ? 36.486 -26.741 0.999 1.00 27.73 ? 1158 PHE A CD1 1 +ATOM 2112 C CD2 . PHE A 1 277 ? 35.697 -24.602 0.275 1.00 25.71 ? 1158 PHE A CD2 1 +ATOM 2113 C CE1 . PHE A 1 277 ? 37.795 -26.369 0.673 1.00 29.01 ? 1158 PHE A CE1 1 +ATOM 2114 C CE2 . PHE A 1 277 ? 36.998 -24.248 -0.092 1.00 28.81 ? 1158 PHE A CE2 1 +ATOM 2115 C CZ . PHE A 1 277 ? 38.043 -25.124 0.135 1.00 27.89 ? 1158 PHE A CZ 1 +ATOM 2116 N N . ARG A 1 278 ? 32.649 -25.519 4.358 1.00 24.04 ? 1159 ARG A N 1 +ATOM 2117 C CA . ARG A 1 278 ? 32.576 -24.495 5.405 1.00 22.52 ? 1159 ARG A CA 1 +ATOM 2118 C C . ARG A 1 278 ? 33.320 -24.988 6.640 1.00 25.72 ? 1159 ARG A C 1 +ATOM 2119 O O . ARG A 1 278 ? 33.325 -26.198 6.878 1.00 24.94 ? 1159 ARG A O 1 +ATOM 2120 C CB . ARG A 1 278 ? 31.109 -24.183 5.768 1.00 21.32 ? 1159 ARG A CB 1 +ATOM 2121 C CG . ARG A 1 278 ? 30.372 -23.457 4.660 1.00 26.97 ? 1159 ARG A CG 1 +ATOM 2122 C CD . ARG A 1 278 ? 28.888 -23.304 4.918 1.00 23.08 ? 1159 ARG A CD 1 +ATOM 2123 N NE . ARG A 1 278 ? 28.195 -23.128 3.636 1.00 21.78 ? 1159 ARG A NE 1 +ATOM 2124 C CZ . ARG A 1 278 ? 27.040 -23.689 3.330 1.00 28.28 ? 1159 ARG A CZ 1 +ATOM 2125 N NH1 . ARG A 1 278 ? 26.400 -24.429 4.224 1.00 18.00 ? 1159 ARG A NH1 1 +ATOM 2126 N NH2 . ARG A 1 278 ? 26.513 -23.520 2.125 1.00 21.99 ? 1159 ARG A NH2 1 +ATOM 2127 N N . PRO A 1 279 ? 33.885 -24.089 7.488 1.00 23.11 ? 1160 PRO A N 1 +ATOM 2128 C CA . PRO A 1 279 ? 34.492 -24.559 8.748 1.00 23.10 ? 1160 PRO A CA 1 +ATOM 2129 C C . PRO A 1 279 ? 33.419 -25.110 9.673 1.00 28.81 ? 1160 PRO A C 1 +ATOM 2130 O O . PRO A 1 279 ? 32.233 -24.865 9.454 1.00 28.29 ? 1160 PRO A O 1 +ATOM 2131 C CB . PRO A 1 279 ? 35.074 -23.275 9.367 1.00 24.56 ? 1160 PRO A CB 1 +ATOM 2132 C CG . PRO A 1 279 ? 35.096 -22.266 8.265 1.00 29.09 ? 1160 PRO A CG 1 +ATOM 2133 C CD . PRO A 1 279 ? 33.935 -22.614 7.394 1.00 24.31 ? 1160 PRO A CD 1 +ATOM 2134 N N . THR A 1 280 ? 33.815 -25.863 10.697 1.00 27.73 ? 1161 THR A N 1 +ATOM 2135 C CA . THR A 1 280 ? 32.848 -26.350 11.682 1.00 27.68 ? 1161 THR A CA 1 +ATOM 2136 C C . THR A 1 280 ? 32.882 -25.347 12.838 1.00 31.40 ? 1161 THR A C 1 +ATOM 2137 O O . THR A 1 280 ? 33.791 -24.512 12.885 1.00 31.57 ? 1161 THR A O 1 +ATOM 2138 C CB . THR A 1 280 ? 33.182 -27.786 12.149 1.00 34.38 ? 1161 THR A CB 1 +ATOM 2139 O OG1 . THR A 1 280 ? 34.473 -27.807 12.762 1.00 40.07 ? 1161 THR A OG1 1 +ATOM 2140 C CG2 . THR A 1 280 ? 33.084 -28.817 11.028 1.00 27.92 ? 1161 THR A CG2 1 +ATOM 2141 N N . PHE A 1 281 ? 31.911 -25.417 13.766 1.00 27.01 ? 1162 PHE A N 1 +ATOM 2142 C CA . PHE A 1 281 ? 31.901 -24.540 14.935 1.00 25.84 ? 1162 PHE A CA 1 +ATOM 2143 C C . PHE A 1 281 ? 33.043 -24.907 15.850 1.00 32.61 ? 1162 PHE A C 1 +ATOM 2144 O O . PHE A 1 281 ? 33.688 -24.005 16.402 1.00 31.85 ? 1162 PHE A O 1 +ATOM 2145 C CB . PHE A 1 281 ? 30.570 -24.613 15.695 1.00 26.63 ? 1162 PHE A CB 1 +ATOM 2146 C CG . PHE A 1 281 ? 29.481 -23.813 15.045 1.00 26.55 ? 1162 PHE A CG 1 +ATOM 2147 C CD1 . PHE A 1 281 ? 29.595 -22.433 14.912 1.00 28.27 ? 1162 PHE A CD1 1 +ATOM 2148 C CD2 . PHE A 1 281 ? 28.333 -24.434 14.572 1.00 27.47 ? 1162 PHE A CD2 1 +ATOM 2149 C CE1 . PHE A 1 281 ? 28.584 -21.692 14.322 1.00 29.15 ? 1162 PHE A CE1 1 +ATOM 2150 C CE2 . PHE A 1 281 ? 27.320 -23.689 13.970 1.00 29.92 ? 1162 PHE A CE2 1 +ATOM 2151 C CZ . PHE A 1 281 ? 27.448 -22.324 13.851 1.00 28.35 ? 1162 PHE A CZ 1 +ATOM 2152 N N A GLU A 1 282 ? 33.305 -26.226 16.003 0.50 30.60 ? 1163 GLU A N 1 +ATOM 2153 N N B GLU A 1 282 ? 33.305 -26.227 16.002 0.50 30.61 ? 1163 GLU A N 1 +ATOM 2154 C CA A GLU A 1 282 ? 34.386 -26.774 16.826 0.50 31.43 ? 1163 GLU A CA 1 +ATOM 2155 C CA B GLU A 1 282 ? 34.392 -26.786 16.811 0.50 31.47 ? 1163 GLU A CA 1 +ATOM 2156 C C A GLU A 1 282 ? 35.750 -26.196 16.409 0.50 35.57 ? 1163 GLU A C 1 +ATOM 2157 C C B GLU A 1 282 ? 35.737 -26.161 16.406 0.50 35.53 ? 1163 GLU A C 1 +ATOM 2158 O O A GLU A 1 282 ? 36.556 -25.871 17.278 0.50 36.08 ? 1163 GLU A O 1 +ATOM 2159 O O B GLU A 1 282 ? 36.516 -25.781 17.276 0.50 35.94 ? 1163 GLU A O 1 +ATOM 2160 C CB A GLU A 1 282 ? 34.383 -28.314 16.767 0.50 33.51 ? 1163 GLU A CB 1 +ATOM 2161 C CB B GLU A 1 282 ? 34.430 -28.323 16.665 0.50 33.55 ? 1163 GLU A CB 1 +ATOM 2162 C CG A GLU A 1 282 ? 34.900 -28.989 18.029 0.50 44.88 ? 1163 GLU A CG 1 +ATOM 2163 C CG B GLU A 1 282 ? 35.451 -29.021 17.552 0.50 45.31 ? 1163 GLU A CG 1 +ATOM 2164 C CD A GLU A 1 282 ? 33.985 -28.950 19.241 0.50 60.74 ? 1163 GLU A CD 1 +ATOM 2165 C CD B GLU A 1 282 ? 35.554 -30.519 17.338 0.50 70.36 ? 1163 GLU A CD 1 +ATOM 2166 O OE1 A GLU A 1 282 ? 32.840 -29.452 19.149 0.50 44.22 ? 1163 GLU A OE1 1 +ATOM 2167 O OE1 B GLU A 1 282 ? 34.599 -31.241 17.708 0.50 68.62 ? 1163 GLU A OE1 1 +ATOM 2168 O OE2 A GLU A 1 282 ? 34.432 -28.449 20.298 0.50 51.18 ? 1163 GLU A OE2 1 +ATOM 2169 O OE2 B GLU A 1 282 ? 36.597 -30.974 16.814 0.50 62.92 ? 1163 GLU A OE2 1 +ATOM 2170 N N . ASN A 1 283 ? 35.975 -26.010 15.094 1.00 31.87 ? 1164 ASN A N 1 +ATOM 2171 C CA . ASN A 1 283 ? 37.213 -25.426 14.573 1.00 32.78 ? 1164 ASN A CA 1 +ATOM 2172 C C . ASN A 1 283 ? 37.235 -23.890 14.542 1.00 35.96 ? 1164 ASN A C 1 +ATOM 2173 O O . ASN A 1 283 ? 38.311 -23.304 14.513 1.00 36.23 ? 1164 ASN A O 1 +ATOM 2174 C CB . ASN A 1 283 ? 37.604 -26.060 13.232 1.00 36.70 ? 1164 ASN A CB 1 +ATOM 2175 C CG . ASN A 1 283 ? 37.783 -27.560 13.332 1.00 63.57 ? 1164 ASN A CG 1 +ATOM 2176 O OD1 . ASN A 1 283 ? 38.404 -28.090 14.272 1.00 57.24 ? 1164 ASN A OD1 1 +ATOM 2177 N ND2 . ASN A 1 283 ? 37.194 -28.283 12.396 1.00 55.85 ? 1164 ASN A ND2 1 +ATOM 2178 N N . LEU A 1 284 ? 36.065 -23.245 14.552 1.00 31.69 ? 1165 LEU A N 1 +ATOM 2179 C CA . LEU A 1 284 ? 35.953 -21.786 14.558 1.00 31.16 ? 1165 LEU A CA 1 +ATOM 2180 C C . LEU A 1 284 ? 36.324 -21.152 15.898 1.00 34.18 ? 1165 LEU A C 1 +ATOM 2181 O O . LEU A 1 284 ? 36.820 -20.024 15.907 1.00 34.16 ? 1165 LEU A O 1 +ATOM 2182 C CB . LEU A 1 284 ? 34.547 -21.331 14.126 1.00 30.67 ? 1165 LEU A CB 1 +ATOM 2183 C CG . LEU A 1 284 ? 34.306 -21.244 12.614 1.00 34.23 ? 1165 LEU A CG 1 +ATOM 2184 C CD1 . LEU A 1 284 ? 32.808 -21.269 12.292 1.00 33.60 ? 1165 LEU A CD1 1 +ATOM 2185 C CD2 . LEU A 1 284 ? 34.968 -20.010 12.013 1.00 34.96 ? 1165 LEU A CD2 1 +ATOM 2186 N N . ILE A 1 285 ? 36.067 -21.857 17.018 1.00 30.55 ? 1166 ILE A N 1 +ATOM 2187 C CA . ILE A 1 285 ? 36.366 -21.391 18.385 1.00 31.05 ? 1166 ILE A CA 1 +ATOM 2188 C C . ILE A 1 285 ? 37.850 -21.000 18.565 1.00 35.35 ? 1166 ILE A C 1 +ATOM 2189 O O . ILE A 1 285 ? 38.080 -19.849 18.945 1.00 35.47 ? 1166 ILE A O 1 +ATOM 2190 C CB . ILE A 1 285 ? 35.863 -22.367 19.492 1.00 34.31 ? 1166 ILE A CB 1 +ATOM 2191 C CG1 . ILE A 1 285 ? 34.341 -22.649 19.374 1.00 33.60 ? 1166 ILE A CG1 1 +ATOM 2192 C CG2 . ILE A 1 285 ? 36.267 -21.886 20.912 1.00 34.55 ? 1166 ILE A CG2 1 +ATOM 2193 C CD1 . ILE A 1 285 ? 33.936 -24.052 19.844 1.00 34.27 ? 1166 ILE A CD1 1 +ATOM 2194 N N . PRO A 1 286 ? 38.858 -21.886 18.288 1.00 32.93 ? 1167 PRO A N 1 +ATOM 2195 C CA . PRO A 1 286 ? 40.274 -21.461 18.443 1.00 33.70 ? 1167 PRO A CA 1 +ATOM 2196 C C . PRO A 1 286 ? 40.652 -20.275 17.556 1.00 37.46 ? 1167 PRO A C 1 +ATOM 2197 O O . PRO A 1 286 ? 41.435 -19.430 17.986 1.00 37.76 ? 1167 PRO A O 1 +ATOM 2198 C CB . PRO A 1 286 ? 41.087 -22.703 18.042 1.00 35.68 ? 1167 PRO A CB 1 +ATOM 2199 C CG . PRO A 1 286 ? 40.141 -23.835 18.041 1.00 39.57 ? 1167 PRO A CG 1 +ATOM 2200 C CD . PRO A 1 286 ? 38.770 -23.292 17.828 1.00 34.52 ? 1167 PRO A CD 1 +ATOM 2201 N N . ILE A 1 287 ? 40.078 -20.204 16.337 1.00 33.56 ? 1168 ILE A N 1 +ATOM 2202 C CA . ILE A 1 287 ? 40.306 -19.114 15.386 1.00 34.43 ? 1168 ILE A CA 1 +ATOM 2203 C C . ILE A 1 287 ? 39.773 -17.790 15.939 1.00 39.38 ? 1168 ILE A C 1 +ATOM 2204 O O . ILE A 1 287 ? 40.507 -16.805 15.943 1.00 40.64 ? 1168 ILE A O 1 +ATOM 2205 C CB . ILE A 1 287 ? 39.770 -19.454 13.959 1.00 37.45 ? 1168 ILE A CB 1 +ATOM 2206 C CG1 . ILE A 1 287 ? 40.793 -20.282 13.155 1.00 38.66 ? 1168 ILE A CG1 1 +ATOM 2207 C CG2 . ILE A 1 287 ? 39.436 -18.180 13.172 1.00 37.90 ? 1168 ILE A CG2 1 +ATOM 2208 C CD1 . ILE A 1 287 ? 40.965 -21.700 13.532 1.00 49.95 ? 1168 ILE A CD1 1 +ATOM 2209 N N . LEU A 1 288 ? 38.520 -17.775 16.440 1.00 35.04 ? 1169 LEU A N 1 +ATOM 2210 C CA . LEU A 1 288 ? 37.933 -16.578 17.039 1.00 35.16 ? 1169 LEU A CA 1 +ATOM 2211 C C . LEU A 1 288 ? 38.629 -16.193 18.336 1.00 39.13 ? 1169 LEU A C 1 +ATOM 2212 O O . LEU A 1 288 ? 38.716 -15.005 18.635 1.00 39.15 ? 1169 LEU A O 1 +ATOM 2213 C CB . LEU A 1 288 ? 36.413 -16.692 17.197 1.00 34.77 ? 1169 LEU A CB 1 +ATOM 2214 C CG . LEU A 1 288 ? 35.665 -16.504 15.882 1.00 39.32 ? 1169 LEU A CG 1 +ATOM 2215 C CD1 . LEU A 1 288 ? 34.485 -17.416 15.794 1.00 38.98 ? 1169 LEU A CD1 1 +ATOM 2216 C CD2 . LEU A 1 288 ? 35.268 -15.054 15.673 1.00 42.32 ? 1169 LEU A CD2 1 +ATOM 2217 N N . LYS A 1 289 ? 39.183 -17.186 19.068 1.00 36.01 ? 1170 LYS A N 1 +ATOM 2218 C CA . LYS A 1 289 ? 39.983 -16.945 20.269 1.00 36.72 ? 1170 LYS A CA 1 +ATOM 2219 C C . LYS A 1 289 ? 41.283 -16.195 19.901 1.00 40.65 ? 1170 LYS A C 1 +ATOM 2220 O O . LYS A 1 289 ? 41.627 -15.236 20.594 1.00 41.64 ? 1170 LYS A O 1 +ATOM 2221 C CB . LYS A 1 289 ? 40.296 -18.258 21.006 1.00 39.75 ? 1170 LYS A CB 1 +ATOM 2222 C CG . LYS A 1 289 ? 39.207 -18.683 21.983 1.00 49.10 ? 1170 LYS A CG 1 +ATOM 2223 C CD . LYS A 1 289 ? 39.491 -20.027 22.651 1.00 50.86 ? 1170 LYS A CD 1 +ATOM 2224 C CE . LYS A 1 289 ? 38.393 -20.394 23.621 1.00 52.51 ? 1170 LYS A CE 1 +ATOM 2225 N NZ . LYS A 1 289 ? 38.448 -21.825 24.010 1.00 57.18 ? 1170 LYS A NZ 1 +ATOM 2226 N N A THR A 1 290 ? 41.959 -16.617 18.810 0.50 36.53 ? 1171 THR A N 1 +ATOM 2227 N N B THR A 1 290 ? 41.983 -16.610 18.814 0.50 36.72 ? 1171 THR A N 1 +ATOM 2228 C CA A THR A 1 290 ? 43.198 -16.028 18.295 0.50 37.42 ? 1171 THR A CA 1 +ATOM 2229 C CA B THR A 1 290 ? 43.223 -15.954 18.369 0.50 37.75 ? 1171 THR A CA 1 +ATOM 2230 C C A THR A 1 290 ? 42.977 -14.579 17.822 0.50 42.70 ? 1171 THR A C 1 +ATOM 2231 C C B THR A 1 290 ? 43.016 -14.554 17.777 0.50 42.85 ? 1171 THR A C 1 +ATOM 2232 O O A THR A 1 290 ? 43.755 -13.690 18.182 0.50 43.76 ? 1171 THR A O 1 +ATOM 2233 O O B THR A 1 290 ? 43.841 -13.666 18.017 0.50 43.91 ? 1171 THR A O 1 +ATOM 2234 C CB A THR A 1 290 ? 43.797 -16.938 17.190 0.50 44.04 ? 1171 THR A CB 1 +ATOM 2235 C CB B THR A 1 290 ? 44.184 -16.894 17.599 0.50 45.83 ? 1171 THR A CB 1 +ATOM 2236 O OG1 A THR A 1 290 ? 44.083 -18.230 17.734 0.50 43.86 ? 1171 THR A OG1 1 +ATOM 2237 O OG1 B THR A 1 290 ? 45.427 -16.223 17.392 0.50 44.59 ? 1171 THR A OG1 1 +ATOM 2238 C CG2 A THR A 1 290 ? 45.062 -16.361 16.558 0.50 41.54 ? 1171 THR A CG2 1 +ATOM 2239 C CG2 B THR A 1 290 ? 43.636 -17.357 16.258 0.50 44.51 ? 1171 THR A CG2 1 +ATOM 2240 N N . VAL A 1 291 ? 41.913 -14.355 17.023 1.00 38.41 ? 1172 VAL A N 1 +ATOM 2241 C CA . VAL A 1 291 ? 41.555 -13.051 16.443 1.00 38.45 ? 1172 VAL A CA 1 +ATOM 2242 C C . VAL A 1 291 ? 41.158 -12.077 17.569 1.00 41.53 ? 1172 VAL A C 1 +ATOM 2243 O O . VAL A 1 291 ? 41.590 -10.927 17.545 1.00 42.01 ? 1172 VAL A O 1 +ATOM 2244 C CB . VAL A 1 291 ? 40.494 -13.169 15.309 1.00 41.81 ? 1172 VAL A CB 1 +ATOM 2245 C CG1 . VAL A 1 291 ? 40.204 -11.818 14.677 1.00 42.50 ? 1172 VAL A CG1 1 +ATOM 2246 C CG2 . VAL A 1 291 ? 40.955 -14.139 14.230 1.00 41.53 ? 1172 VAL A CG2 1 +ATOM 2247 N N . HIS A 1 292 ? 40.420 -12.560 18.587 1.00 38.24 ? 1173 HIS A N 1 +ATOM 2248 C CA . HIS A 1 292 ? 40.027 -11.755 19.759 1.00 40.40 ? 1173 HIS A CA 1 +ATOM 2249 C C . HIS A 1 292 ? 41.252 -11.210 20.532 1.00 47.62 ? 1173 HIS A C 1 +ATOM 2250 O O . HIS A 1 292 ? 41.222 -10.075 21.004 1.00 49.10 ? 1173 HIS A O 1 +ATOM 2251 C CB . HIS A 1 292 ? 39.112 -12.559 20.702 1.00 40.76 ? 1173 HIS A CB 1 +ATOM 2252 C CG . HIS A 1 292 ? 38.960 -11.957 22.068 1.00 45.46 ? 1173 HIS A CG 1 +ATOM 2253 N ND1 . HIS A 1 292 ? 39.588 -12.504 23.170 1.00 47.62 ? 1173 HIS A ND1 1 +ATOM 2254 C CD2 . HIS A 1 292 ? 38.296 -10.843 22.453 1.00 48.07 ? 1173 HIS A CD2 1 +ATOM 2255 C CE1 . HIS A 1 292 ? 39.264 -11.726 24.189 1.00 48.01 ? 1173 HIS A CE1 1 +ATOM 2256 N NE2 . HIS A 1 292 ? 38.491 -10.712 23.806 1.00 48.71 ? 1173 HIS A NE2 1 +ATOM 2257 N N . GLU A 1 293 ? 42.316 -12.023 20.648 1.00 44.81 ? 1174 GLU A N 1 +ATOM 2258 C CA . GLU A 1 293 ? 43.564 -11.673 21.321 1.00 46.21 ? 1174 GLU A CA 1 +ATOM 2259 C C . GLU A 1 293 ? 44.332 -10.582 20.585 1.00 50.61 ? 1174 GLU A C 1 +ATOM 2260 O O . GLU A 1 293 ? 44.847 -9.667 21.221 1.00 52.07 ? 1174 GLU A O 1 +ATOM 2261 C CB . GLU A 1 293 ? 44.442 -12.925 21.523 1.00 47.47 ? 1174 GLU A CB 1 +ATOM 2262 C CG . GLU A 1 293 ? 43.953 -13.841 22.634 1.00 61.33 ? 1174 GLU A CG 1 +ATOM 2263 C CD . GLU A 1 293 ? 43.796 -13.186 23.995 1.00 91.22 ? 1174 GLU A CD 1 +ATOM 2264 O OE1 . GLU A 1 293 ? 44.828 -12.899 24.645 1.00 85.45 ? 1174 GLU A OE1 1 +ATOM 2265 O OE2 . GLU A 1 293 ? 42.636 -12.946 24.404 1.00 90.84 ? 1174 GLU A OE2 1 +ATOM 2266 N N . LYS A 1 294 ? 44.403 -10.683 19.250 1.00 46.46 ? 1175 LYS A N 1 +ATOM 2267 C CA . LYS A 1 294 ? 45.089 -9.746 18.355 1.00 47.54 ? 1175 LYS A CA 1 +ATOM 2268 C C . LYS A 1 294 ? 44.565 -8.305 18.498 1.00 53.38 ? 1175 LYS A C 1 +ATOM 2269 O O . LYS A 1 294 ? 45.362 -7.366 18.533 1.00 54.66 ? 1175 LYS A O 1 +ATOM 2270 C CB . LYS A 1 294 ? 44.953 -10.247 16.900 1.00 48.94 ? 1175 LYS A CB 1 +ATOM 2271 C CG . LYS A 1 294 ? 45.520 -9.327 15.822 1.00 54.83 ? 1175 LYS A CG 1 +ATOM 2272 C CD . LYS A 1 294 ? 45.512 -10.013 14.470 1.00 59.27 ? 1175 LYS A CD 1 +ATOM 2273 C CE . LYS A 1 294 ? 46.252 -9.216 13.428 1.00 69.03 ? 1175 LYS A CE 1 +ATOM 2274 N NZ . LYS A 1 294 ? 46.471 -10.013 12.196 1.00 78.84 ? 1175 LYS A NZ 1 +ATOM 2275 N N . TYR A 1 295 ? 43.233 -8.143 18.579 1.00 50.19 ? 1176 TYR A N 1 +ATOM 2276 C CA . TYR A 1 295 ? 42.574 -6.840 18.660 1.00 51.55 ? 1176 TYR A CA 1 +ATOM 2277 C C . TYR A 1 295 ? 42.261 -6.344 20.082 1.00 59.38 ? 1176 TYR A C 1 +ATOM 2278 O O . TYR A 1 295 ? 41.869 -5.182 20.230 1.00 60.52 ? 1176 TYR A O 1 +ATOM 2279 C CB . TYR A 1 295 ? 41.340 -6.784 17.728 1.00 50.93 ? 1176 TYR A CB 1 +ATOM 2280 C CG . TYR A 1 295 ? 41.664 -7.062 16.272 1.00 51.27 ? 1176 TYR A CG 1 +ATOM 2281 C CD1 . TYR A 1 295 ? 42.179 -6.065 15.447 1.00 54.59 ? 1176 TYR A CD1 1 +ATOM 2282 C CD2 . TYR A 1 295 ? 41.470 -8.325 15.723 1.00 49.90 ? 1176 TYR A CD2 1 +ATOM 2283 C CE1 . TYR A 1 295 ? 42.483 -6.318 14.108 1.00 54.39 ? 1176 TYR A CE1 1 +ATOM 2284 C CE2 . TYR A 1 295 ? 41.788 -8.594 14.393 1.00 50.37 ? 1176 TYR A CE2 1 +ATOM 2285 C CZ . TYR A 1 295 ? 42.291 -7.587 13.588 1.00 59.14 ? 1176 TYR A CZ 1 +ATOM 2286 O OH . TYR A 1 295 ? 42.596 -7.852 12.272 1.00 61.10 ? 1176 TYR A OH 1 +ATOM 2287 N N . ARG A 1 296 ? 42.477 -7.191 21.125 1.00 57.18 ? 1177 ARG A N 1 +ATOM 2288 C CA . ARG A 1 296 ? 42.223 -6.807 22.522 1.00 58.87 ? 1177 ARG A CA 1 +ATOM 2289 C C . ARG A 1 296 ? 43.026 -5.576 22.972 1.00 66.46 ? 1177 ARG A C 1 +ATOM 2290 O O . ARG A 1 296 ? 44.178 -5.408 22.557 1.00 67.08 ? 1177 ARG A O 1 +ATOM 2291 C CB . ARG A 1 296 ? 42.340 -7.999 23.506 1.00 58.68 ? 1177 ARG A CB 1 +ATOM 2292 C CG . ARG A 1 296 ? 43.734 -8.279 24.063 1.00 72.66 ? 1177 ARG A CG 1 +ATOM 2293 C CD . ARG A 1 296 ? 43.693 -9.234 25.239 1.00 89.28 ? 1177 ARG A CD 1 +ATOM 2294 N NE . ARG A 1 296 ? 44.987 -9.311 25.923 1.00 105.83 ? 1177 ARG A NE 1 +ATOM 2295 C CZ . ARG A 1 296 ? 45.239 -10.085 26.976 1.00 125.87 ? 1177 ARG A CZ 1 +ATOM 2296 N NH1 . ARG A 1 296 ? 44.289 -10.866 27.478 1.00 115.49 ? 1177 ARG A NH1 1 +ATOM 2297 N NH2 . ARG A 1 296 ? 46.442 -10.086 27.534 1.00 115.15 ? 1177 ARG A NH2 1 +ATOM 2298 N N . HIS A 1 297 ? 42.379 -4.702 23.779 1.00 64.94 ? 1178 HIS A N 1 +ATOM 2299 C CA . HIS A 1 297 ? 42.923 -3.456 24.346 1.00 108.59 ? 1178 HIS A CA 1 +ATOM 2300 C C . HIS A 1 297 ? 43.572 -2.511 23.327 1.00 140.56 ? 1178 HIS A C 1 +ATOM 2301 O O . HIS A 1 297 ? 43.250 -1.324 23.286 1.00 102.68 ? 1178 HIS A O 1 +ATOM 2302 C CB . HIS A 1 297 ? 43.862 -3.744 25.530 1.00 109.98 ? 1178 HIS A CB 1 +ATOM 2303 C CG . HIS A 1 297 ? 43.149 -4.272 26.735 1.00 112.85 ? 1178 HIS A CG 1 +ATOM 2304 N ND1 . HIS A 1 297 ? 42.835 -3.452 27.806 1.00 116.33 ? 1178 HIS A ND1 1 +ATOM 2305 C CD2 . HIS A 1 297 ? 42.688 -5.519 26.991 1.00 112.91 ? 1178 HIS A CD2 1 +ATOM 2306 C CE1 . HIS A 1 297 ? 42.209 -4.225 28.679 1.00 114.88 ? 1178 HIS A CE1 1 +ATOM 2307 N NE2 . HIS A 1 297 ? 42.095 -5.477 28.231 1.00 113.13 ? 1178 HIS A NE2 1 +HETATM 2308 S S . SO4 B 2 . ? 28.386 2.789 26.486 1.00 98.41 ? 1201 SO4 A S 1 +HETATM 2309 O O1 . SO4 B 2 . ? 29.382 3.597 27.187 1.00 98.62 ? 1201 SO4 A O1 1 +HETATM 2310 O O2 . SO4 B 2 . ? 28.317 3.244 25.102 1.00 98.25 ? 1201 SO4 A O2 1 +HETATM 2311 O O3 . SO4 B 2 . ? 28.779 1.375 26.537 1.00 98.89 ? 1201 SO4 A O3 1 +HETATM 2312 O O4 . SO4 B 2 . ? 27.073 2.943 27.118 1.00 97.87 ? 1201 SO4 A O4 1 +HETATM 2313 S S . SO4 C 2 . ? 37.902 -7.021 1.164 1.00 61.28 ? 1202 SO4 A S 1 +HETATM 2314 O O1 . SO4 C 2 . ? 39.109 -6.279 0.785 1.00 61.73 ? 1202 SO4 A O1 1 +HETATM 2315 O O2 . SO4 C 2 . ? 37.650 -8.069 0.202 1.00 62.27 ? 1202 SO4 A O2 1 +HETATM 2316 O O3 . SO4 C 2 . ? 38.078 -7.651 2.474 1.00 60.38 ? 1202 SO4 A O3 1 +HETATM 2317 O O4 . SO4 C 2 . ? 36.758 -6.103 1.177 1.00 61.35 ? 1202 SO4 A O4 1 +HETATM 2318 C C1 . EDO D 3 . ? 10.131 -25.215 9.012 1.00 48.43 ? 1203 EDO A C1 1 +HETATM 2319 O O1 . EDO D 3 . ? 9.489 -25.691 10.185 1.00 52.18 ? 1203 EDO A O1 1 +HETATM 2320 C C2 . EDO D 3 . ? 9.939 -26.226 7.865 1.00 45.57 ? 1203 EDO A C2 1 +HETATM 2321 O O2 . EDO D 3 . ? 10.424 -27.497 8.236 1.00 43.62 ? 1203 EDO A O2 1 +HETATM 2322 C C1 . EDO E 3 . ? 15.516 -11.224 11.564 1.00 54.97 ? 1204 EDO A C1 1 +HETATM 2323 O O1 . EDO E 3 . ? 16.425 -10.503 12.379 1.00 56.69 ? 1204 EDO A O1 1 +HETATM 2324 C C2 . EDO E 3 . ? 15.951 -12.705 11.477 1.00 53.79 ? 1204 EDO A C2 1 +HETATM 2325 O O2 . EDO E 3 . ? 15.519 -13.400 12.632 1.00 54.30 ? 1204 EDO A O2 1 +HETATM 2326 C C1 . GOL F 4 . ? 9.594 -32.695 10.928 1.00 79.14 ? 1205 GOL A C1 1 +HETATM 2327 O O1 . GOL F 4 . ? 9.163 -31.346 11.010 1.00 79.00 ? 1205 GOL A O1 1 +HETATM 2328 C C2 . GOL F 4 . ? 9.567 -33.347 12.290 1.00 80.35 ? 1205 GOL A C2 1 +HETATM 2329 O O2 . GOL F 4 . ? 10.429 -32.632 13.182 1.00 80.46 ? 1205 GOL A O2 1 +HETATM 2330 C C3 . GOL F 4 . ? 10.025 -34.784 12.184 1.00 81.30 ? 1205 GOL A C3 1 +HETATM 2331 O O3 . GOL F 4 . ? 9.949 -35.433 13.447 1.00 81.99 ? 1205 GOL A O3 1 +HETATM 2332 C C4 . 0X2 G 5 . ? 13.276 -13.062 22.034 1.00 56.97 ? 1206 0X2 A C4 1 +HETATM 2333 C C5 . 0X2 G 5 . ? 12.137 -12.417 21.572 1.00 58.40 ? 1206 0X2 A C5 1 +HETATM 2334 C C6 . 0X2 G 5 . ? 11.797 -12.461 20.218 1.00 56.98 ? 1206 0X2 A C6 1 +HETATM 2335 C C11 . 0X2 G 5 . ? 14.706 -12.992 27.739 1.00 54.49 ? 1206 0X2 A C11 1 +HETATM 2336 C C7 . 0X2 G 5 . ? 13.661 -12.930 23.477 1.00 58.36 ? 1206 0X2 A C7 1 +HETATM 2337 C C8 . 0X2 G 5 . ? 13.957 -14.025 25.664 1.00 56.52 ? 1206 0X2 A C8 1 +HETATM 2338 C C9 . 0X2 G 5 . ? 14.087 -15.277 26.290 1.00 55.28 ? 1206 0X2 A C9 1 +HETATM 2339 C C10 . 0X2 G 5 . ? 14.514 -15.348 27.632 1.00 53.63 ? 1206 0X2 A C10 1 +HETATM 2340 C C12 . 0X2 G 5 . ? 14.278 -12.875 26.411 1.00 56.11 ? 1206 0X2 A C12 1 +HETATM 2341 N N1 . 0X2 G 5 . ? 13.584 -13.990 24.299 1.00 56.92 ? 1206 0X2 A N1 1 +HETATM 2342 N N2 . 0X2 G 5 . ? 14.805 -14.223 28.319 1.00 53.24 ? 1206 0X2 A N2 1 +HETATM 2343 C C3 . 0X2 G 5 . ? 14.119 -13.704 21.127 1.00 55.33 ? 1206 0X2 A C3 1 +HETATM 2344 O O2 . 0X2 G 5 . ? 15.011 -11.957 28.375 1.00 53.67 ? 1206 0X2 A O2 1 +HETATM 2345 O O1 . 0X2 G 5 . ? 14.014 -11.811 23.822 1.00 60.65 ? 1206 0X2 A O1 1 +HETATM 2346 CL CL2 . 0X2 G 5 . ? 15.608 -14.522 21.693 1.00 55.28 ? 1206 0X2 A CL2 1 +HETATM 2347 C C2 . 0X2 G 5 . ? 13.792 -13.751 19.769 1.00 53.01 ? 1206 0X2 A C2 1 +HETATM 2348 CL CL1 . 0X2 G 5 . ? 11.095 -11.555 22.740 1.00 62.68 ? 1206 0X2 A CL1 1 +HETATM 2349 C C1 . 0X2 G 5 . ? 12.628 -13.129 19.316 1.00 53.61 ? 1206 0X2 A C1 1 +HETATM 2350 O O . HOH H 6 . ? 36.810 -27.022 10.031 1.00 15.84 ? 1301 HOH A O 1 +HETATM 2351 O O . HOH H 6 . ? 20.602 -21.138 11.542 1.00 26.02 ? 1302 HOH A O 1 +HETATM 2352 O O . HOH H 6 . ? 15.361 -22.211 16.183 1.00 29.27 ? 1303 HOH A O 1 +HETATM 2353 O O . HOH H 6 . ? 30.372 -26.599 8.824 1.00 27.33 ? 1304 HOH A O 1 +HETATM 2354 O O . HOH H 6 . ? 15.280 -13.280 6.343 1.00 30.92 ? 1305 HOH A O 1 +HETATM 2355 O O . HOH H 6 . ? 27.362 -30.269 7.883 1.00 29.51 ? 1306 HOH A O 1 +HETATM 2356 O O . HOH H 6 . ? 30.940 -28.426 15.212 1.00 22.97 ? 1307 HOH A O 1 +HETATM 2357 O O . HOH H 6 . ? 26.753 -12.953 2.247 1.00 35.97 ? 1308 HOH A O 1 +HETATM 2358 O O . HOH H 6 . ? 31.408 -28.173 6.853 1.00 28.01 ? 1309 HOH A O 1 +HETATM 2359 O O . HOH H 6 . ? 34.013 -2.935 24.848 1.00 42.37 ? 1310 HOH A O 1 +HETATM 2360 O O . HOH H 6 . ? 36.734 0.655 6.147 1.00 46.30 ? 1311 HOH A O 1 +HETATM 2361 O O . HOH H 6 . ? 39.760 -16.600 6.342 1.00 22.93 ? 1312 HOH A O 1 +HETATM 2362 O O . HOH H 6 . ? 21.505 -21.951 6.489 1.00 26.29 ? 1313 HOH A O 1 +HETATM 2363 O O . HOH H 6 . ? 22.416 -15.453 3.700 1.00 27.25 ? 1314 HOH A O 1 +HETATM 2364 O O . HOH H 6 . ? 28.332 -30.025 0.388 1.00 32.07 ? 1315 HOH A O 1 +HETATM 2365 O O . HOH H 6 . ? 25.782 -32.332 8.398 1.00 45.34 ? 1316 HOH A O 1 +HETATM 2366 O O . HOH H 6 . ? 29.245 -9.846 -3.792 1.00 38.61 ? 1317 HOH A O 1 +HETATM 2367 O O . HOH H 6 . ? 13.319 -16.649 22.725 1.00 38.70 ? 1318 HOH A O 1 +HETATM 2368 O O . HOH H 6 . ? 13.319 -19.813 22.960 1.00 52.71 ? 1319 HOH A O 1 +HETATM 2369 O O . HOH H 6 . ? 37.095 -10.548 0.051 1.00 27.01 ? 1320 HOH A O 1 +HETATM 2370 O O . HOH H 6 . ? 14.882 -24.116 7.738 1.00 35.61 ? 1321 HOH A O 1 +HETATM 2371 O O . HOH H 6 . ? 15.410 -32.240 0.663 1.00 41.90 ? 1322 HOH A O 1 +HETATM 2372 O O . HOH H 6 . ? 28.355 -30.962 5.154 1.00 42.02 ? 1323 HOH A O 1 +HETATM 2373 O O . HOH H 6 . ? 5.711 -8.010 22.432 1.00 53.89 ? 1324 HOH A O 1 +HETATM 2374 O O . HOH H 6 . ? 19.174 0.962 4.245 1.00 63.28 ? 1325 HOH A O 1 +HETATM 2375 O O . HOH H 6 . ? 19.067 -10.505 13.639 1.00 32.72 ? 1326 HOH A O 1 +HETATM 2376 O O . HOH H 6 . ? 31.654 -30.035 -1.716 1.00 45.74 ? 1327 HOH A O 1 +HETATM 2377 O O . HOH H 6 . ? 20.503 -16.475 2.094 1.00 20.64 ? 1328 HOH A O 1 +HETATM 2378 O O . HOH H 6 . ? 29.456 -27.999 10.881 1.00 32.78 ? 1329 HOH A O 1 +HETATM 2379 O O . HOH H 6 . ? 21.367 -5.051 34.698 1.00 36.20 ? 1330 HOH A O 1 +HETATM 2380 O O . HOH H 6 . ? 42.505 -13.378 6.086 1.00 46.72 ? 1331 HOH A O 1 +HETATM 2381 O O . HOH H 6 . ? 7.416 -24.307 6.560 1.00 36.10 ? 1332 HOH A O 1 +HETATM 2382 O O . HOH H 6 . ? 33.661 -31.179 5.486 1.00 47.61 ? 1333 HOH A O 1 +HETATM 2383 O O . HOH H 6 . ? 31.672 -22.398 26.656 1.00 46.47 ? 1334 HOH A O 1 +HETATM 2384 O O . HOH H 6 . ? 15.869 -6.829 27.966 1.00 37.42 ? 1335 HOH A O 1 +HETATM 2385 O O . HOH H 6 . ? 28.062 -1.462 19.192 1.00 53.56 ? 1336 HOH A O 1 +HETATM 2386 O O . HOH H 6 . ? 48.597 -17.923 18.719 1.00 48.96 ? 1337 HOH A O 1 +HETATM 2387 O O . HOH H 6 . ? 21.409 -6.755 12.011 1.00 33.52 ? 1338 HOH A O 1 +HETATM 2388 O O . HOH H 6 . ? 23.247 -26.249 -3.090 1.00 39.74 ? 1339 HOH A O 1 +HETATM 2389 O O . HOH H 6 . ? 46.199 -10.700 23.352 1.00 66.40 ? 1340 HOH A O 1 +HETATM 2390 O O . HOH H 6 . ? 31.871 -24.944 25.750 1.00 38.11 ? 1341 HOH A O 1 +HETATM 2391 O O . HOH H 6 . ? 43.130 -7.026 8.324 1.00 45.66 ? 1342 HOH A O 1 +HETATM 2392 O O . HOH H 6 . ? -1.359 -7.959 28.501 1.00 55.65 ? 1343 HOH A O 1 +HETATM 2393 O O . HOH H 6 . ? 27.205 -34.488 10.053 1.00 50.91 ? 1344 HOH A O 1 +HETATM 2394 O O . HOH H 6 . ? 28.499 -24.568 29.806 1.00 46.19 ? 1345 HOH A O 1 +HETATM 2395 O O . HOH H 6 . ? 1.795 -16.941 20.252 1.00 46.48 ? 1346 HOH A O 1 +HETATM 2396 O O . HOH H 6 . ? 30.247 -29.910 17.768 1.00 32.78 ? 1347 HOH A O 1 +HETATM 2397 O O . HOH H 6 . ? 29.742 -27.312 13.468 1.00 27.51 ? 1348 HOH A O 1 +HETATM 2398 O O . HOH H 6 . ? 27.014 -10.298 37.131 1.00 35.78 ? 1349 HOH A O 1 +HETATM 2399 O O . HOH H 6 . ? 44.345 -20.911 16.252 1.00 46.41 ? 1350 HOH A O 1 +HETATM 2400 O O . HOH H 6 . ? 35.777 -20.077 26.952 1.00 37.43 ? 1351 HOH A O 1 +HETATM 2401 O O . HOH H 6 . ? 31.187 -25.850 23.314 1.00 29.71 ? 1352 HOH A O 1 +HETATM 2402 O O . HOH H 6 . ? 23.822 -0.991 -1.920 1.00 73.27 ? 1353 HOH A O 1 +HETATM 2403 O O . HOH H 6 . ? 33.915 -16.055 27.003 1.00 47.47 ? 1354 HOH A O 1 +HETATM 2404 O O . HOH H 6 . ? 24.959 -14.666 3.165 1.00 41.36 ? 1355 HOH A O 1 +HETATM 2405 O O . HOH H 6 . ? 16.913 -36.807 6.118 1.00 49.86 ? 1356 HOH A O 1 +HETATM 2406 O O . HOH H 6 . ? 19.681 -13.878 -9.254 1.00 62.02 ? 1357 HOH A O 1 +HETATM 2407 O O . HOH H 6 . ? 24.172 -24.525 -4.523 1.00 73.05 ? 1358 HOH A O 1 +HETATM 2408 O O . HOH H 6 . ? 28.124 -3.217 5.214 1.00 50.80 ? 1359 HOH A O 1 +HETATM 2409 O O . HOH H 6 . ? 0.538 -15.225 18.644 1.00 54.16 ? 1360 HOH A O 1 +HETATM 2410 O O . HOH H 6 . ? 17.153 -23.896 35.964 1.00 56.29 ? 1361 HOH A O 1 +HETATM 2411 O O . HOH H 6 . ? 16.414 -6.390 23.652 1.00 65.68 ? 1362 HOH A O 1 +HETATM 2412 O O . HOH H 6 . ? 18.766 -24.862 28.310 1.00 43.68 ? 1363 HOH A O 1 +HETATM 2413 O O . HOH H 6 . ? 13.146 -32.254 16.056 1.00 46.35 ? 1364 HOH A O 1 +HETATM 2414 O O . HOH H 6 . ? 17.276 -18.476 36.551 1.00 73.49 ? 1365 HOH A O 1 +HETATM 2415 O O . HOH H 6 . ? 38.626 -15.231 24.453 1.00 40.82 ? 1366 HOH A O 1 +HETATM 2416 O O . HOH H 6 . ? 3.869 -12.303 41.103 1.00 53.60 ? 1367 HOH A O 1 +HETATM 2417 O O . HOH H 6 . ? 36.564 -4.229 22.905 1.00 37.61 ? 1368 HOH A O 1 +HETATM 2418 O O . HOH H 6 . ? 29.426 -30.377 9.719 1.00 32.87 ? 1369 HOH A O 1 +HETATM 2419 O O . HOH H 6 . ? 41.100 -8.480 0.876 1.00 39.93 ? 1370 HOH A O 1 +HETATM 2420 O O . HOH H 6 . ? 25.363 -25.916 -0.645 1.00 38.48 ? 1371 HOH A O 1 +HETATM 2421 O O . HOH H 6 . ? 9.423 -11.165 -8.793 1.00 37.73 ? 1372 HOH A O 1 +HETATM 2422 O O . HOH H 6 . ? 19.140 -14.150 -11.722 1.00 56.98 ? 1373 HOH A O 1 +HETATM 2423 O O . HOH H 6 . ? 20.142 0.483 14.069 1.00 46.91 ? 1374 HOH A O 1 +HETATM 2424 O O . HOH H 6 . ? -2.220 -23.491 39.847 1.00 49.82 ? 1375 HOH A O 1 +HETATM 2425 O O . HOH H 6 . ? 40.981 -14.788 7.745 1.00 29.83 ? 1376 HOH A O 1 +HETATM 2426 O O . HOH H 6 . ? 12.677 -13.456 5.459 1.00 39.68 ? 1377 HOH A O 1 +HETATM 2427 O O . HOH H 6 . ? 14.659 -9.394 22.769 1.00 49.14 ? 1378 HOH A O 1 +# +loop_ +_atom_site_anisotrop.id +_atom_site_anisotrop.type_symbol +_atom_site_anisotrop.pdbx_label_atom_id +_atom_site_anisotrop.pdbx_label_alt_id +_atom_site_anisotrop.pdbx_label_comp_id +_atom_site_anisotrop.pdbx_label_asym_id +_atom_site_anisotrop.pdbx_label_seq_id +_atom_site_anisotrop.pdbx_PDB_ins_code +_atom_site_anisotrop.U[1][1] +_atom_site_anisotrop.U[2][2] +_atom_site_anisotrop.U[3][3] +_atom_site_anisotrop.U[1][2] +_atom_site_anisotrop.U[1][3] +_atom_site_anisotrop.U[2][3] +_atom_site_anisotrop.pdbx_auth_seq_id +_atom_site_anisotrop.pdbx_auth_comp_id +_atom_site_anisotrop.pdbx_auth_asym_id +_atom_site_anisotrop.pdbx_auth_atom_id +1 N N . THR A 9 ? 0.9978 1.1858 0.7375 0.0108 0.1859 0.0784 890 THR A N +2 C CA . THR A 9 ? 0.9968 1.2204 0.7203 0.0241 0.1927 0.0880 890 THR A CA +3 C C . THR A 9 ? 1.0088 1.2646 0.7575 0.0076 0.1966 0.0782 890 THR A C +4 O O . THR A 9 ? 0.9728 1.2340 0.7317 0.0005 0.1834 0.0550 890 THR A O +5 C CB . THR A 9 ? 1.1329 1.3652 0.8210 0.0517 0.1768 0.0767 890 THR A CB +6 O OG1 . THR A 9 ? 1.1936 1.4028 0.8599 0.0681 0.1756 0.0864 890 THR A OG1 +7 C CG2 . THR A 9 ? 1.1093 1.3825 0.7813 0.0691 0.1803 0.0805 890 THR A CG2 +8 N N . VAL A 10 ? 0.9665 1.2470 0.7253 0.0028 0.2154 0.0971 891 VAL A N +9 C CA . VAL A 10 ? 0.9439 1.2620 0.7266 -0.0108 0.2208 0.0885 891 VAL A CA +10 C C . VAL A 10 ? 0.9675 1.3228 0.7216 0.0124 0.2149 0.0843 891 VAL A C +11 O O . VAL A 10 ? 0.9893 1.3615 0.7224 0.0297 0.2242 0.1032 891 VAL A O +12 C CB . VAL A 10 ? 1.0196 1.3458 0.8392 -0.0335 0.2449 0.1081 891 VAL A CB +13 C CG1 . VAL A 10 ? 1.0038 1.3802 0.8425 -0.0421 0.2516 0.1002 891 VAL A CG1 +14 C CG2 . VAL A 10 ? 1.0217 1.3131 0.8802 -0.0583 0.2459 0.1010 891 VAL A CG2 +15 N N . PHE A 11 ? 0.8843 1.2526 0.6374 0.0154 0.1985 0.0592 892 PHE A N +16 C CA . PHE A 11 ? 0.8693 1.2686 0.6010 0.0374 0.1890 0.0493 892 PHE A CA +17 C C . PHE A 11 ? 0.9060 1.3517 0.6540 0.0309 0.1993 0.0487 892 PHE A C +18 O O . PHE A 11 ? 0.8891 1.3424 0.6688 0.0077 0.2063 0.0441 892 PHE A O +19 C CB . PHE A 11 ? 0.8693 1.2549 0.5954 0.0439 0.1671 0.0258 892 PHE A CB +20 C CG . PHE A 11 ? 0.8936 1.2442 0.6006 0.0564 0.1545 0.0227 892 PHE A CG +21 C CD1 . PHE A 11 ? 0.9305 1.2460 0.6447 0.0435 0.1542 0.0250 892 PHE A CD1 +22 C CD2 . PHE A 11 ? 0.9234 1.2785 0.6089 0.0813 0.1415 0.0135 892 PHE A CD2 +23 C CE1 . PHE A 11 ? 0.9439 1.2320 0.6417 0.0552 0.1425 0.0203 892 PHE A CE1 +24 C CE2 . PHE A 11 ? 0.9591 1.2856 0.6322 0.0917 0.1296 0.0071 892 PHE A CE2 +25 C CZ . PHE A 11 ? 0.9342 1.2286 0.6125 0.0784 0.1307 0.0113 892 PHE A CZ +26 N N . HIS A 12 ? 0.8620 1.3431 0.5901 0.0528 0.1989 0.0499 893 HIS A N +27 C CA . HIS A 12 ? 0.8488 1.3809 0.5884 0.0513 0.2075 0.0480 893 HIS A CA +28 C C . HIS A 12 ? 0.8537 1.4040 0.5840 0.0680 0.1882 0.0228 893 HIS A C +29 O O . HIS A 12 ? 0.8294 1.3763 0.5350 0.0936 0.1739 0.0148 893 HIS A O +30 C CB . HIS A 12 ? 0.8852 1.4517 0.6117 0.0641 0.2245 0.0709 893 HIS A CB +31 C CG . HIS A 12 ? 0.9538 1.4987 0.6888 0.0502 0.2449 0.1011 893 HIS A CG +32 N ND1 . HIS A 12 ? 0.9816 1.5185 0.7560 0.0179 0.2617 0.1109 893 HIS A ND1 +33 C CD2 . HIS A 12 ? 1.0000 1.5303 0.7106 0.0665 0.2503 0.1223 893 HIS A CD2 +34 C CE1 . HIS A 12 ? 1.0036 1.5161 0.7775 0.0145 0.2773 0.1401 893 HIS A CE1 +35 N NE2 . HIS A 12 ? 1.0199 1.5291 0.7534 0.0444 0.2714 0.1492 893 HIS A NE2 +36 N N . LYS A 13 ? 0.7970 1.3665 0.5501 0.0542 0.1872 0.0090 894 LYS A N +37 C CA . LYS A 13 ? 0.7762 1.3632 0.5249 0.0684 0.1706 -0.0127 894 LYS A CA +38 C C . LYS A 13 ? 0.8456 1.4687 0.5742 0.0964 0.1652 -0.0179 894 LYS A C +39 O O . LYS A 13 ? 0.8458 1.4642 0.5631 0.1162 0.1468 -0.0340 894 LYS A O +40 C CB . LYS A 13 ? 0.7913 1.4044 0.5687 0.0501 0.1747 -0.0242 894 LYS A CB +41 C CG . LYS A 13 ? 0.9719 1.5847 0.7457 0.0617 0.1562 -0.0434 894 LYS A CG +42 C CD . LYS A 13 ? 1.0718 1.7117 0.8736 0.0451 0.1595 -0.0562 894 LYS A CD +43 C CE . LYS A 13 ? 1.1342 1.7770 0.9291 0.0605 0.1426 -0.0707 894 LYS A CE +44 N NZ . LYS A 13 ? 1.1863 1.8592 1.0069 0.0474 0.1446 -0.0850 894 LYS A NZ +45 N N . ARG A 14 ? 0.8157 1.4751 0.5417 0.0989 0.1815 -0.0035 895 ARG A N +46 C CA . ARG A 14 ? 0.8290 1.5336 0.5361 0.1267 0.1788 -0.0075 895 ARG A CA +47 C C . ARG A 14 ? 0.8782 1.5609 0.5590 0.1567 0.1586 -0.0186 895 ARG A C +48 O O . ARG A 14 ? 0.8753 1.5814 0.5466 0.1819 0.1437 -0.0374 895 ARG A O +49 C CB . ARG A 14 ? 0.8610 1.6027 0.5695 0.1218 0.2035 0.0177 895 ARG A CB +50 C CG . ARG A 14 ? 1.0481 1.8495 0.7375 0.1512 0.2039 0.0157 895 ARG A CG +51 C CD . ARG A 14 ? 1.2757 2.1235 0.9738 0.1414 0.2326 0.0439 895 ARG A CD +52 N NE . ARG A 14 ? 1.4935 2.3203 1.1791 0.1422 0.2463 0.0734 895 ARG A NE +53 C CZ . ARG A 14 ? 1.7372 2.5289 1.4431 0.1130 0.2645 0.0977 895 ARG A CZ +54 N NH1 . ARG A 14 ? 1.5966 2.3718 1.3387 0.0797 0.2701 0.0927 895 ARG A NH1 +55 N NH2 . ARG A 14 ? 1.6025 2.3769 1.2935 0.1191 0.2761 0.1255 895 ARG A NH2 +56 N N . TYR A 15 ? 0.8289 1.4675 0.5012 0.1544 0.1571 -0.0096 896 TYR A N +57 C CA . TYR A 15 ? 0.8237 1.4416 0.4770 0.1804 0.1384 -0.0225 896 TYR A CA +58 C C . TYR A 15 ? 0.8411 1.4094 0.5022 0.1762 0.1197 -0.0383 896 TYR A C +59 O O . TYR A 15 ? 0.8371 1.3846 0.4903 0.1945 0.1033 -0.0518 896 TYR A O +60 C CB . TYR A 15 ? 0.8524 1.4637 0.4890 0.1872 0.1475 -0.0048 896 TYR A CB +61 C CG . TYR A 15 ? 0.8884 1.5515 0.5174 0.1927 0.1686 0.0167 896 TYR A CG +62 C CD1 . TYR A 15 ? 0.9210 1.6403 0.5356 0.2224 0.1645 0.0071 896 TYR A CD1 +63 C CD2 . TYR A 15 ? 0.9082 1.5659 0.5471 0.1685 0.1932 0.0470 896 TYR A CD2 +64 C CE1 . TYR A 15 ? 0.9452 1.7192 0.5531 0.2278 0.1859 0.0297 896 TYR A CE1 +65 C CE2 . TYR A 15 ? 0.9409 1.6466 0.5762 0.1722 0.2155 0.0718 896 TYR A CE2 +66 C CZ . TYR A 15 ? 1.0474 1.8137 0.6659 0.2019 0.2126 0.0642 896 TYR A CZ +67 O OH . TYR A 15 ? 1.0934 1.9134 0.7084 0.2062 0.2364 0.0914 896 TYR A OH +68 N N . LEU A 16 ? 0.7757 1.3305 0.4549 0.1535 0.1222 -0.0378 897 LEU A N +69 C CA . LEU A 16 ? 0.7621 1.2771 0.4498 0.1485 0.1078 -0.0479 897 LEU A CA +70 C C . LEU A 16 ? 0.7826 1.3142 0.4740 0.1647 0.0944 -0.0644 897 LEU A C +71 O O . LEU A 16 ? 0.7673 1.3324 0.4659 0.1602 0.1005 -0.0657 897 LEU A O +72 C CB . LEU A 16 ? 0.7541 1.2517 0.4581 0.1185 0.1180 -0.0382 897 LEU A CB +73 C CG . LEU A 16 ? 0.8093 1.2594 0.5170 0.1089 0.1101 -0.0382 897 LEU A CG +74 C CD1 . LEU A 16 ? 0.8168 1.2398 0.5114 0.1160 0.1075 -0.0342 897 LEU A CD1 +75 C CD2 . LEU A 16 ? 0.8380 1.2828 0.5628 0.0823 0.1204 -0.0318 897 LEU A CD2 +76 N N . LYS A 17 ? 0.7255 1.2350 0.4140 0.1850 0.0760 -0.0782 898 LYS A N +77 C CA . LYS A 17 ? 0.7200 1.2354 0.4138 0.2041 0.0610 -0.0936 898 LYS A CA +78 C C . LYS A 17 ? 0.7520 1.2202 0.4582 0.1994 0.0501 -0.0938 898 LYS A C +79 O O . LYS A 17 ? 0.7489 1.1819 0.4581 0.1997 0.0433 -0.0958 898 LYS A O +80 C CB . LYS A 17 ? 0.7706 1.3034 0.4569 0.2348 0.0481 -0.1115 898 LYS A CB +81 C CG . LYS A 17 ? 0.9360 1.4722 0.6308 0.2578 0.0305 -0.1300 898 LYS A CG +82 C CD . LYS A 17 ? 1.0632 1.5983 0.7595 0.2870 0.0124 -0.1532 898 LYS A CD +83 C CE . LYS A 17 ? 1.1897 1.6769 0.9077 0.2956 -0.0065 -0.1655 898 LYS A CE +84 N NZ . LYS A 17 ? 1.3279 1.8203 1.0543 0.3079 -0.0146 -0.1708 898 LYS A NZ +85 N N . LYS A 18 ? 0.6960 1.1675 0.4100 0.1967 0.0491 -0.0915 899 LYS A N +86 C CA . LYS A 18 ? 0.6892 1.1226 0.4147 0.1938 0.0415 -0.0863 899 LYS A CA +87 C C . LYS A 18 ? 0.7535 1.1596 0.4886 0.2161 0.0238 -0.0979 899 LYS A C +88 O O . LYS A 18 ? 0.7629 1.1888 0.4974 0.2380 0.0151 -0.1111 899 LYS A O +89 C CB . LYS A 18 ? 0.7134 1.1678 0.4420 0.1904 0.0457 -0.0802 899 LYS A CB +90 C CG . LYS A 18 ? 0.8051 1.2280 0.5430 0.1849 0.0428 -0.0680 899 LYS A CG +91 C CD . LYS A 18 ? 0.9434 1.3835 0.6829 0.1998 0.0389 -0.0656 899 LYS A CD +92 C CE . LYS A 18 ? 1.0346 1.4487 0.7819 0.1972 0.0380 -0.0490 899 LYS A CE +93 N NZ . LYS A 18 ? 1.1502 1.5852 0.8962 0.2153 0.0353 -0.0437 899 LYS A NZ +94 N N . ILE A 19 ? 0.7118 1.0736 0.4593 0.2101 0.0183 -0.0944 900 ILE A N +95 C CA . ILE A 19 ? 0.7260 1.0557 0.4924 0.2271 0.0020 -0.1059 900 ILE A CA +96 C C . ILE A 19 ? 0.7987 1.1026 0.5813 0.2291 -0.0015 -0.0928 900 ILE A C +97 O O . ILE A 19 ? 0.8097 1.1092 0.6026 0.2501 -0.0126 -0.1010 900 ILE A O +98 C CB . ILE A 19 ? 0.7600 1.0638 0.5349 0.2242 -0.0035 -0.1161 900 ILE A CB +99 C CG1 . ILE A 19 ? 0.7795 1.1102 0.5463 0.2449 -0.0114 -0.1395 900 ILE A CG1 +100 C CG2 . ILE A 19 ? 0.7710 1.0286 0.5763 0.2261 -0.0148 -0.1184 900 ILE A CG2 +101 C CD1 . ILE A 19 ? 0.8708 1.2414 0.6110 0.2402 0.0020 -0.1344 900 ILE A CD1 +102 N N . ARG A 20 ? 0.7594 1.0486 0.5440 0.2095 0.0081 -0.0720 901 ARG A N +103 C CA . ARG A 20 ? 0.7683 1.0386 0.5656 0.2115 0.0082 -0.0531 901 ARG A CA +104 C C . ARG A 20 ? 0.8170 1.0906 0.6094 0.1908 0.0209 -0.0321 901 ARG A C +105 O O . ARG A 20 ? 0.8012 1.0729 0.5892 0.1728 0.0266 -0.0333 901 ARG A O +106 C CB . ARG A 20 ? 0.7806 1.0048 0.6080 0.2226 -0.0042 -0.0554 901 ARG A CB +107 C CG . ARG A 20 ? 0.7958 0.9825 0.6440 0.2056 -0.0014 -0.0424 901 ARG A CG +108 C CD . ARG A 20 ? 0.8855 1.0499 0.7516 0.2106 0.0005 -0.0171 901 ARG A CD +109 N NE . ARG A 20 ? 1.0420 1.1633 0.9414 0.2003 -0.0006 -0.0085 901 ARG A NE +110 C CZ . ARG A 20 ? 1.2602 1.3428 1.1959 0.2106 -0.0114 -0.0146 901 ARG A CZ +111 N NH1 . ARG A 20 ? 1.1257 1.2068 1.0664 0.2339 -0.0235 -0.0305 901 ARG A NH1 +112 N NH2 . ARG A 20 ? 1.0988 1.1452 1.0697 0.1976 -0.0104 -0.0063 901 ARG A NH2 +113 N N . ASP A 21 ? 0.7916 1.0737 0.5841 0.1963 0.0246 -0.0139 902 ASP A N +114 C CA . ASP A 21 ? 0.7799 1.0755 0.5676 0.1823 0.0353 0.0044 902 ASP A CA +115 C C . ASP A 21 ? 0.8119 1.0727 0.6162 0.1699 0.0374 0.0196 902 ASP A C +116 O O . ASP A 21 ? 0.8206 1.0445 0.6464 0.1767 0.0316 0.0265 902 ASP A O +117 C CB . ASP A 21 ? 0.8189 1.1436 0.5995 0.1976 0.0382 0.0181 902 ASP A CB +118 C CG . ASP A 21 ? 0.9876 1.3627 0.7512 0.2025 0.0403 0.0029 902 ASP A CG +119 O OD1 . ASP A 21 ? 0.9771 1.3770 0.7340 0.1848 0.0473 -0.0067 902 ASP A OD1 +120 O OD2 . ASP A 21 ? 1.0933 1.4838 0.8531 0.2240 0.0354 0.0006 902 ASP A OD2 +121 N N . LEU A 22 ? 0.7474 1.0224 0.5450 0.1518 0.0457 0.0243 903 LEU A N +122 C CA . LEU A 22 ? 0.7451 0.9985 0.5560 0.1385 0.0493 0.0383 903 LEU A CA +123 C C . LEU A 22 ? 0.7956 1.0763 0.6025 0.1396 0.0578 0.0609 903 LEU A C +124 O O . LEU A 22 ? 0.8005 1.0650 0.6221 0.1384 0.0612 0.0824 903 LEU A O +125 C CB . LEU A 22 ? 0.7227 0.9724 0.5290 0.1198 0.0505 0.0237 903 LEU A CB +126 C CG . LEU A 22 ? 0.7781 1.0116 0.5832 0.1212 0.0434 0.0015 903 LEU A CG +127 C CD1 . LEU A 22 ? 0.7672 1.0101 0.5592 0.1066 0.0475 -0.0090 903 LEU A CD1 +128 C CD2 . LEU A 22 ? 0.8188 1.0126 0.6478 0.1247 0.0349 -0.0023 903 LEU A CD2 +129 N N . GLY A 23 ? 0.7517 1.0775 0.5410 0.1425 0.0615 0.0552 904 GLY A N +130 C CA . GLY A 23 ? 0.7598 1.1248 0.5428 0.1482 0.0680 0.0707 904 GLY A CA +131 C C . GLY A 23 ? 0.8152 1.2254 0.5874 0.1386 0.0713 0.0533 904 GLY A C +132 O O . GLY A 23 ? 0.7820 1.1952 0.5507 0.1292 0.0699 0.0315 904 GLY A O +133 N N . GLU A 24 ? 0.8141 1.2620 0.5837 0.1420 0.0761 0.0631 905 GLU A N +134 C CA . GLU A 24 ? 0.8120 1.3073 0.5781 0.1346 0.0779 0.0446 905 GLU A CA +135 C C . GLU A 24 ? 0.9060 1.4244 0.6739 0.1336 0.0815 0.0564 905 GLU A C +136 O O . GLU A 24 ? 0.9270 1.4460 0.6947 0.1464 0.0850 0.0841 905 GLU A O +137 C CB . GLU A 24 ? 0.8293 1.3749 0.5891 0.1485 0.0772 0.0309 905 GLU A CB +138 C CG . GLU A 24 ? 1.0040 1.5717 0.7557 0.1762 0.0774 0.0508 905 GLU A CG +139 C CD . GLU A 24 ? 1.2775 1.8874 1.0233 0.1902 0.0749 0.0331 905 GLU A CD +140 O OE1 . GLU A 24 ? 1.1932 1.8549 0.9420 0.1871 0.0753 0.0104 905 GLU A OE1 +141 O OE2 . GLU A 24 ? 1.2318 1.8247 0.9729 0.2048 0.0719 0.0396 905 GLU A OE2 +142 N N . GLY A 25 ? 0.8743 1.4095 0.6460 0.1185 0.0810 0.0366 906 GLY A N +143 C CA . GLY A 25 ? 0.8811 1.4427 0.6552 0.1171 0.0829 0.0417 906 GLY A CA +144 C C . GLY A 25 ? 0.9469 1.5767 0.7212 0.1251 0.0816 0.0231 906 GLY A C +145 O O . GLY A 25 ? 0.9538 1.6284 0.7231 0.1429 0.0839 0.0373 906 GLY A O +146 N N . HIS A 26 ? 0.9002 1.5404 0.6833 0.1123 0.0780 -0.0090 907 HIS A N +147 C CA . HIS A 26 ? 0.8963 1.6019 0.6879 0.1183 0.0749 -0.0350 907 HIS A CA +148 C C . HIS A 26 ? 0.9626 1.6932 0.7583 0.1235 0.0741 -0.0531 907 HIS A C +149 O O . HIS A 26 ? 0.9498 1.6970 0.7633 0.1112 0.0720 -0.0836 907 HIS A O +150 C CB A HIS A 26 ? 0.8892 1.5938 0.6962 0.1000 0.0712 -0.0598 907 HIS A CB +151 C CB B HIS A 26 ? 0.8915 1.5926 0.6987 0.0989 0.0713 -0.0600 907 HIS A CB +152 C CG A HIS A 26 ? 0.9230 1.6989 0.7428 0.1093 0.0661 -0.0869 907 HIS A CG +153 C CG B HIS A 26 ? 0.9285 1.5826 0.7454 0.0766 0.0717 -0.0745 907 HIS A CG +154 N ND1 A HIS A 26 ? 0.9498 1.7822 0.7605 0.1324 0.0655 -0.0765 907 HIS A ND1 +155 N ND1 B HIS A 26 ? 0.9546 1.5454 0.7626 0.0665 0.0743 -0.0576 907 HIS A ND1 +156 C CD2 A HIS A 26 ? 0.9340 1.7342 0.7776 0.0993 0.0612 -0.1243 907 HIS A CD2 +157 C CD2 B HIS A 26 ? 0.9430 1.6089 0.7796 0.0644 0.0707 -0.1032 907 HIS A CD2 +158 C CE1 A HIS A 26 ? 0.9332 1.8266 0.7607 0.1379 0.0588 -0.1113 907 HIS A CE1 +159 C CE1 B HIS A 26 ? 0.9430 1.5116 0.7609 0.0507 0.0754 -0.0736 907 HIS A CE1 +160 N NE2 A HIS A 26 ? 0.9281 1.8024 0.7786 0.1173 0.0556 -0.1422 907 HIS A NE2 +161 N NE2 B HIS A 26 ? 0.9415 1.5510 0.7783 0.0473 0.0742 -0.0993 907 HIS A NE2 +162 N N . PHE A 27 ? 0.9342 1.6659 0.7159 0.1421 0.0760 -0.0330 908 PHE A N +163 C CA . PHE A 27 ? 0.9319 1.6859 0.7131 0.1516 0.0753 -0.0446 908 PHE A CA +164 C C . PHE A 27 ? 0.9396 1.6501 0.7272 0.1324 0.0764 -0.0552 908 PHE A C +165 O O . PHE A 27 ? 0.9484 1.6718 0.7340 0.1405 0.0763 -0.0609 908 PHE A O +166 C CB . PHE A 27 ? 0.9590 1.7956 0.7480 0.1672 0.0721 -0.0698 908 PHE A CB +167 C CG . PHE A 27 ? 0.9739 1.8375 0.7883 0.1509 0.0700 -0.1102 908 PHE A CG +168 C CD1 . PHE A 27 ? 1.0091 1.8872 0.8463 0.1346 0.0673 -0.1359 908 PHE A CD1 +169 C CD2 . PHE A 27 ? 1.0077 1.8884 0.8271 0.1534 0.0706 -0.1237 908 PHE A CD2 +170 C CE1 . PHE A 27 ? 1.0138 1.9138 0.8822 0.1180 0.0663 -0.1725 908 PHE A CE1 +171 C CE2 . PHE A 27 ? 1.0350 1.9424 0.8842 0.1361 0.0706 -0.1597 908 PHE A CE2 +172 C CZ . PHE A 27 ? 1.0017 1.9167 0.8772 0.1177 0.0688 -0.1833 908 PHE A CZ +173 N N . GLY A 28 ? 0.8431 1.5046 0.6361 0.1102 0.0776 -0.0553 909 GLY A N +174 C CA . GLY A 28 ? 0.8111 1.4300 0.6071 0.0937 0.0799 -0.0600 909 GLY A CA +175 C C . GLY A 28 ? 0.8096 1.3761 0.5910 0.0992 0.0793 -0.0363 909 GLY A C +176 O O . GLY A 28 ? 0.8064 1.3442 0.5840 0.0983 0.0784 -0.0201 909 GLY A O +177 N N . LYS A 29 ? 0.7297 1.2873 0.5060 0.1055 0.0791 -0.0365 910 LYS A N +178 C CA . LYS A 29 ? 0.7210 1.2344 0.4879 0.1143 0.0762 -0.0203 910 LYS A CA +179 C C . LYS A 29 ? 0.7129 1.1787 0.4803 0.0993 0.0763 -0.0218 910 LYS A C +180 O O . LYS A 29 ? 0.6792 1.1482 0.4503 0.0858 0.0800 -0.0351 910 LYS A O +181 C CB . LYS A 29 ? 0.7626 1.2954 0.5237 0.1325 0.0739 -0.0231 910 LYS A CB +182 C CG . LYS A 29 ? 1.0081 1.4992 0.7639 0.1427 0.0690 -0.0145 910 LYS A CG +183 C CD . LYS A 29 ? 1.1827 1.6701 0.9344 0.1673 0.0643 0.0027 910 LYS A CD +184 C CE . LYS A 29 ? 1.3543 1.8753 1.0997 0.1869 0.0614 -0.0061 910 LYS A CE +185 N NZ . LYS A 29 ? 1.4433 1.9491 1.1878 0.1879 0.0575 -0.0192 910 LYS A NZ +186 N N . VAL A 30 ? 0.6543 1.0781 0.4200 0.1029 0.0725 -0.0078 911 VAL A N +187 C CA . VAL A 30 ? 0.6448 1.0267 0.4105 0.0941 0.0706 -0.0104 911 VAL A CA +188 C C . VAL A 30 ? 0.6977 1.0568 0.4623 0.1093 0.0643 -0.0087 911 VAL A C +189 O O . VAL A 30 ? 0.7046 1.0537 0.4737 0.1225 0.0605 0.0035 911 VAL A O +190 C CB . VAL A 30 ? 0.6844 1.0392 0.4552 0.0839 0.0700 -0.0029 911 VAL A CB +191 C CG1 . VAL A 30 ? 0.6743 0.9990 0.4431 0.0741 0.0689 -0.0118 911 VAL A CG1 +192 C CG2 . VAL A 30 ? 0.6693 1.0526 0.4430 0.0758 0.0738 -0.0028 911 VAL A CG2 +193 N N . SER A 31 ? 0.6469 0.9981 0.4068 0.1088 0.0632 -0.0204 912 SER A N +194 C CA . SER A 31 ? 0.6630 0.9973 0.4232 0.1251 0.0552 -0.0248 912 SER A CA +195 C C . SER A 31 ? 0.7033 1.0155 0.4613 0.1225 0.0524 -0.0347 912 SER A C +196 O O . SER A 31 ? 0.6744 0.9926 0.4256 0.1099 0.0589 -0.0378 912 SER A O +197 C CB . SER A 31 ? 0.7164 1.0844 0.4703 0.1383 0.0551 -0.0321 912 SER A CB +198 O OG . SER A 31 ? 0.8285 1.2190 0.5833 0.1464 0.0559 -0.0241 912 SER A OG +199 N N . LEU A 32 ? 0.6751 0.9629 0.4409 0.1363 0.0421 -0.0404 913 LEU A N +200 C CA . LEU A 32 ? 0.6755 0.9490 0.4403 0.1409 0.0364 -0.0541 913 LEU A CA +201 C C . LEU A 32 ? 0.7458 1.0501 0.4968 0.1529 0.0372 -0.0651 913 LEU A C +202 O O . LEU A 32 ? 0.7440 1.0628 0.4962 0.1684 0.0322 -0.0699 913 LEU A O +203 C CB . LEU A 32 ? 0.6894 0.9297 0.4754 0.1522 0.0237 -0.0604 913 LEU A CB +204 C CG . LEU A 32 ? 0.7444 0.9754 0.5345 0.1635 0.0137 -0.0816 913 LEU A CG +205 C CD1 . LEU A 32 ? 0.7262 0.9549 0.5060 0.1514 0.0187 -0.0831 913 LEU A CD1 +206 C CD2 . LEU A 32 ? 0.7759 0.9739 0.5969 0.1721 0.0008 -0.0902 913 LEU A CD2 +207 N N . TYR A 33 ? 0.7152 1.0312 0.4530 0.1466 0.0443 -0.0672 914 TYR A N +208 C CA . TYR A 33 ? 0.7173 1.0670 0.4415 0.1558 0.0488 -0.0729 914 TYR A CA +209 C C . TYR A 33 ? 0.7589 1.1053 0.4746 0.1666 0.0451 -0.0819 914 TYR A C +210 O O . TYR A 33 ? 0.7363 1.0563 0.4544 0.1606 0.0428 -0.0819 914 TYR A O +211 C CB . TYR A 33 ? 0.7344 1.1076 0.4525 0.1370 0.0653 -0.0614 914 TYR A CB +212 C CG . TYR A 33 ? 0.7756 1.1753 0.4994 0.1326 0.0698 -0.0590 914 TYR A CG +213 C CD1 . TYR A 33 ? 0.8041 1.2451 0.5244 0.1349 0.0776 -0.0614 914 TYR A CD1 +214 C CD2 . TYR A 33 ? 0.7852 1.1746 0.5184 0.1261 0.0675 -0.0541 914 TYR A CD2 +215 C CE1 . TYR A 33 ? 0.8075 1.2783 0.5350 0.1312 0.0814 -0.0626 914 TYR A CE1 +216 C CE2 . TYR A 33 ? 0.7987 1.2190 0.5359 0.1249 0.0712 -0.0538 914 TYR A CE2 +217 C CZ . TYR A 33 ? 0.9105 1.3713 0.6457 0.1274 0.0774 -0.0599 914 TYR A CZ +218 O OH . TYR A 33 ? 0.9362 1.4321 0.6772 0.1276 0.0801 -0.0632 914 TYR A OH +219 N N . CYS A 34 ? 0.7275 1.1069 0.4322 0.1840 0.0451 -0.0897 915 CYS A N +220 C CA . CYS A 34 ? 0.7309 1.1206 0.4235 0.1995 0.0427 -0.0979 915 CYS A CA +221 C C . CYS A 34 ? 0.7738 1.1950 0.4491 0.1933 0.0609 -0.0820 915 CYS A C +222 O O . CYS A 34 ? 0.7731 1.2269 0.4468 0.1922 0.0692 -0.0771 915 CYS A O +223 C CB . CYS A 34 ? 0.7480 1.1553 0.4440 0.2293 0.0267 -0.1214 915 CYS A CB +224 S SG . CYS A 34 ? 0.8135 1.2511 0.4921 0.2557 0.0229 -0.1349 915 CYS A SG +225 N N . TYR A 35 ? 0.7145 1.1266 0.3790 0.1895 0.0679 -0.0730 916 TYR A N +226 C CA . TYR A 35 ? 0.7153 1.1530 0.3658 0.1848 0.0867 -0.0537 916 TYR A CA +227 C C . TYR A 35 ? 0.7626 1.2308 0.3943 0.2141 0.0841 -0.0594 916 TYR A C +228 O O . TYR A 35 ? 0.7623 1.2158 0.3869 0.2260 0.0760 -0.0670 916 TYR A O +229 C CB . TYR A 35 ? 0.7281 1.1358 0.3799 0.1610 0.0986 -0.0355 916 TYR A CB +230 C CG . TYR A 35 ? 0.7534 1.1810 0.3996 0.1511 0.1204 -0.0118 916 TYR A CG +231 C CD1 . TYR A 35 ? 0.7705 1.2283 0.4270 0.1399 0.1327 -0.0042 916 TYR A CD1 +232 C CD2 . TYR A 35 ? 0.7745 1.1896 0.4086 0.1520 0.1295 0.0041 916 TYR A CD2 +233 C CE1 . TYR A 35 ? 0.7871 1.2615 0.4461 0.1276 0.1545 0.0189 916 TYR A CE1 +234 C CE2 . TYR A 35 ? 0.7984 1.2265 0.4323 0.1415 0.1514 0.0301 916 TYR A CE2 +235 C CZ . TYR A 35 ? 0.8764 1.3337 0.5251 0.1280 0.1644 0.0377 916 TYR A CZ +236 O OH . TYR A 35 ? 0.8749 1.3443 0.5304 0.1152 0.1875 0.0644 916 TYR A OH +237 N N . ASP A 36 ? 0.7176 1.2339 0.3419 0.2281 0.0895 -0.0586 917 ASP A N +238 C CA . ASP A 36 ? 0.7273 1.2868 0.3322 0.2601 0.0878 -0.0642 917 ASP A CA +239 C C . ASP A 36 ? 0.7848 1.3878 0.3764 0.2582 0.1122 -0.0359 917 ASP A C +240 O O . ASP A 36 ? 0.7813 1.4333 0.3698 0.2714 0.1150 -0.0390 917 ASP A O +241 C CB . ASP A 36 ? 0.7485 1.3327 0.3587 0.2875 0.0670 -0.0959 917 ASP A CB +242 C CG . ASP A 36 ? 0.8568 1.4767 0.4526 0.3256 0.0551 -0.1155 917 ASP A CG +243 O OD1 . ASP A 36 ? 0.8666 1.4896 0.4459 0.3328 0.0616 -0.1049 917 ASP A OD1 +244 O OD2 . ASP A 36 ? 0.9064 1.5514 0.5086 0.3503 0.0377 -0.1438 917 ASP A OD2 +245 N N . PRO A 37 ? 0.7585 1.3452 0.3441 0.2427 0.1307 -0.0074 918 PRO A N +246 C CA . PRO A 37 ? 0.7783 1.4040 0.3566 0.2396 0.1564 0.0237 918 PRO A CA +247 C C . PRO A 37 ? 0.8522 1.5349 0.4042 0.2765 0.1597 0.0283 918 PRO A C +248 O O . PRO A 37 ? 0.8690 1.5941 0.4169 0.2761 0.1814 0.0540 918 PRO A O +249 C CB . PRO A 37 ? 0.8091 1.3913 0.3934 0.2131 0.1725 0.0509 918 PRO A CB +250 C CG . PRO A 37 ? 0.8582 1.3960 0.4372 0.2188 0.1544 0.0343 918 PRO A CG +251 C CD . PRO A 37 ? 0.7770 1.3101 0.3646 0.2276 0.1297 -0.0011 918 PRO A CD +252 N N . THR A 38 ? 0.8109 1.4998 0.3478 0.3088 0.1390 0.0029 919 THR A N +253 C CA . THR A 38 ? 0.8294 1.5807 0.3404 0.3502 0.1385 0.0009 919 THR A CA +254 C C . THR A 38 ? 0.8836 1.6813 0.3966 0.3783 0.1184 -0.0355 919 THR A C +255 O O . THR A 38 ? 0.9088 1.7698 0.4020 0.4148 0.1170 -0.0409 919 THR A O +256 C CB . THR A 38 ? 0.9128 1.6529 0.4042 0.3724 0.1318 -0.0012 919 THR A CB +257 O OG1 . THR A 38 ? 0.8654 1.5649 0.3702 0.3740 0.1049 -0.0387 919 THR A OG1 +258 C CG2 . THR A 38 ? 0.9061 1.6137 0.3901 0.3526 0.1550 0.0402 919 THR A CG2 +259 N N . ASN A 39 ? 0.8162 1.5851 0.3531 0.3632 0.1030 -0.0596 920 ASN A N +260 C CA . ASN A 39 ? 0.8040 1.6033 0.3492 0.3863 0.0818 -0.0956 920 ASN A CA +261 C C . ASN A 39 ? 0.8531 1.6703 0.3935 0.4266 0.0560 -0.1336 920 ASN A C +262 O O . ASN A 39 ? 0.8649 1.7468 0.3944 0.4623 0.0487 -0.1510 920 ASN A O +263 C CB . ASN A 39 ? 0.8081 1.6732 0.3479 0.3928 0.0955 -0.0851 920 ASN A CB +264 C CG . ASN A 39 ? 1.1221 1.9708 0.6797 0.3554 0.1107 -0.0670 920 ASN A CG +265 O OD1 . ASN A 39 ? 1.0340 1.8237 0.6099 0.3273 0.1066 -0.0683 920 ASN A OD1 +266 N ND2 . ASN A 39 ? 1.0320 1.9394 0.5862 0.3562 0.1281 -0.0515 920 ASN A ND2 +267 N N . ASP A 40 ? 0.7920 1.5558 0.3433 0.4214 0.0417 -0.1488 921 ASP A N +268 C CA . ASP A 40 ? 0.7963 1.5711 0.3521 0.4556 0.0156 -0.1896 921 ASP A CA +269 C C . ASP A 40 ? 0.8487 1.5934 0.4387 0.4573 -0.0110 -0.2291 921 ASP A C +270 O O . ASP A 40 ? 0.8413 1.5929 0.4455 0.4842 -0.0349 -0.2688 921 ASP A O +271 C CB . ASP A 40 ? 0.8176 1.5629 0.3661 0.4541 0.0158 -0.1854 921 ASP A CB +272 C CG . ASP A 40 ? 0.8997 1.5701 0.4617 0.4116 0.0235 -0.1656 921 ASP A CG +273 O OD1 . ASP A 40 ? 0.9146 1.5716 0.4595 0.4005 0.0401 -0.1368 921 ASP A OD1 +274 O OD2 . ASP A 40 ? 0.9185 1.5452 0.5085 0.3918 0.0125 -0.1790 921 ASP A OD2 +275 N N . GLY A 41 ? 0.8101 1.5224 0.4155 0.4296 -0.0065 -0.2180 922 GLY A N +276 C CA . GLY A 41 ? 0.8099 1.4893 0.4472 0.4291 -0.0276 -0.2461 922 GLY A CA +277 C C . GLY A 41 ? 0.8679 1.4764 0.5323 0.4083 -0.0378 -0.2532 922 GLY A C +278 O O . GLY A 41 ? 0.8753 1.4504 0.5687 0.4049 -0.0524 -0.2698 922 GLY A O +279 N N . THR A 42 ? 0.8161 1.4020 0.4721 0.3954 -0.0297 -0.2396 923 THR A N +280 C CA . THR A 42 ? 0.8054 1.3296 0.4861 0.3746 -0.0372 -0.2444 923 THR A CA +281 C C . THR A 42 ? 0.8194 1.3066 0.4919 0.3360 -0.0161 -0.2057 923 THR A C +282 O O . THR A 42 ? 0.8093 1.2541 0.5023 0.3131 -0.0171 -0.1995 923 THR A O +283 C CB . THR A 42 ? 0.9597 1.4898 0.6432 0.3939 -0.0497 -0.2691 923 THR A CB +284 O OG1 . THR A 42 ? 0.9999 1.5605 0.6468 0.3996 -0.0330 -0.2467 923 THR A OG1 +285 C CG2 . THR A 42 ? 0.9579 1.5225 0.6595 0.4322 -0.0748 -0.3160 923 THR A CG2 +286 N N . GLY A 43 ? 0.7619 1.2675 0.4059 0.3313 0.0026 -0.1801 924 GLY A N +287 C CA . GLY A 43 ? 0.7405 1.2170 0.3771 0.2978 0.0226 -0.1458 924 GLY A CA +288 C C . GLY A 43 ? 0.7731 1.1975 0.4246 0.2781 0.0179 -0.1467 924 GLY A C +289 O O . GLY A 43 ? 0.7668 1.1808 0.4309 0.2910 0.0017 -0.1715 924 GLY A O +290 N N . GLU A 44 ? 0.7233 1.1192 0.3763 0.2469 0.0318 -0.1217 925 GLU A N +291 C CA . GLU A 44 ? 0.7119 1.0630 0.3785 0.2259 0.0296 -0.1193 925 GLU A CA +292 C C . GLU A 44 ? 0.7563 1.0840 0.4395 0.2006 0.0335 -0.1080 925 GLU A C +293 O O . GLU A 44 ? 0.7404 1.0816 0.4172 0.1888 0.0467 -0.0908 925 GLU A O +294 C CB . GLU A 44 ? 0.7309 1.0739 0.3794 0.2184 0.0412 -0.1024 925 GLU A CB +295 C CG . GLU A 44 ? 0.8466 1.2000 0.4802 0.2038 0.0626 -0.0727 925 GLU A CG +296 C CD . GLU A 44 ? 1.0157 1.3616 0.6317 0.2027 0.0735 -0.0559 925 GLU A CD +297 O OE1 . GLU A 44 ? 0.9053 1.2679 0.5048 0.2279 0.0690 -0.0629 925 GLU A OE1 +298 O OE2 . GLU A 44 ? 0.9393 1.2653 0.5587 0.1786 0.0863 -0.0362 925 GLU A OE2 +299 N N . MET A 45 ? 0.7184 1.0150 0.4251 0.1936 0.0224 -0.1180 926 MET A N +300 C CA . MET A 45 ? 0.7102 0.9878 0.4321 0.1741 0.0253 -0.1064 926 MET A CA +301 C C . MET A 45 ? 0.7179 0.9807 0.4357 0.1492 0.0373 -0.0874 926 MET A C +302 O O . MET A 45 ? 0.7015 0.9483 0.4179 0.1442 0.0366 -0.0885 926 MET A O +303 C CB . MET A 45 ? 0.7539 1.0062 0.5049 0.1776 0.0107 -0.1199 926 MET A CB +304 C CG . MET A 45 ? 0.8269 1.0923 0.5880 0.2013 -0.0021 -0.1394 926 MET A CG +305 S SD . MET A 45 ? 0.8882 1.1796 0.6409 0.2064 0.0031 -0.1302 926 MET A SD +306 C CE . MET A 45 ? 0.8674 1.1778 0.6298 0.2408 -0.0158 -0.1621 926 MET A CE +307 N N . VAL A 46 ? 0.6555 0.9282 0.3719 0.1356 0.0475 -0.0730 927 VAL A N +308 C CA . VAL A 46 ? 0.6385 0.9042 0.3551 0.1132 0.0580 -0.0587 927 VAL A CA +309 C C . VAL A 46 ? 0.6874 0.9561 0.4168 0.1041 0.0586 -0.0529 927 VAL A C +310 O O . VAL A 46 ? 0.6847 0.9656 0.4180 0.1148 0.0546 -0.0561 927 VAL A O +311 C CB . VAL A 46 ? 0.6839 0.9664 0.3869 0.1058 0.0726 -0.0478 927 VAL A CB +312 C CG1 . VAL A 46 ? 0.6900 0.9691 0.3774 0.1167 0.0736 -0.0482 927 VAL A CG1 +313 C CG2 . VAL A 46 ? 0.6828 0.9982 0.3838 0.1093 0.0796 -0.0449 927 VAL A CG2 +314 N N . ALA A 47 ? 0.6341 0.8953 0.3693 0.0872 0.0630 -0.0452 928 ALA A N +315 C CA . ALA A 47 ? 0.6160 0.8880 0.3608 0.0810 0.0645 -0.0388 928 ALA A CA +316 C C . ALA A 47 ? 0.6641 0.9632 0.4070 0.0701 0.0751 -0.0363 928 ALA A C +317 O O . ALA A 47 ? 0.6529 0.9491 0.3941 0.0583 0.0817 -0.0353 928 ALA A O +318 C CB . ALA A 47 ? 0.6150 0.8706 0.3696 0.0720 0.0621 -0.0338 928 ALA A CB +319 N N . VAL A 48 ? 0.6309 0.9565 0.3767 0.0748 0.0765 -0.0366 929 VAL A N +320 C CA . VAL A 48 ? 0.6244 0.9814 0.3748 0.0644 0.0860 -0.0383 929 VAL A CA +321 C C . VAL A 48 ? 0.6709 1.0494 0.4309 0.0618 0.0852 -0.0385 929 VAL A C +322 O O . VAL A 48 ? 0.6619 1.0498 0.4208 0.0753 0.0801 -0.0361 929 VAL A O +323 C CB . VAL A 48 ? 0.6804 1.0632 0.4265 0.0718 0.0906 -0.0418 929 VAL A CB +324 C CG1 . VAL A 48 ? 0.6688 1.0870 0.4272 0.0587 0.1009 -0.0454 929 VAL A CG1 +325 C CG2 . VAL A 48 ? 0.6868 1.0569 0.4218 0.0759 0.0932 -0.0398 929 VAL A CG2 +326 N N . LYS A 49 ? 0.6282 1.0153 0.3978 0.0468 0.0896 -0.0419 930 LYS A N +327 C CA . LYS A 49 ? 0.6207 1.0377 0.4000 0.0457 0.0888 -0.0458 930 LYS A CA +328 C C . LYS A 49 ? 0.6667 1.1232 0.4587 0.0395 0.0952 -0.0581 930 LYS A C +329 O O . LYS A 49 ? 0.6575 1.1103 0.4587 0.0254 0.1024 -0.0626 930 LYS A O +330 C CB . LYS A 49 ? 0.6461 1.0533 0.4316 0.0350 0.0875 -0.0471 930 LYS A CB +331 C CG . LYS A 49 ? 0.8182 1.2568 0.6087 0.0411 0.0843 -0.0475 930 LYS A CG +332 C CD . LYS A 49 ? 0.9384 1.3604 0.7279 0.0385 0.0808 -0.0414 930 LYS A CD +333 C CE . LYS A 49 ? 1.0396 1.4939 0.8292 0.0502 0.0786 -0.0341 930 LYS A CE +334 N NZ . LYS A 49 ? 1.0640 1.5048 0.8528 0.0488 0.0766 -0.0241 930 LYS A NZ +335 N N . ALA A 50 ? 0.6283 1.1232 0.4226 0.0507 0.0932 -0.0628 931 ALA A N +336 C CA . ALA A 50 ? 0.6299 1.1693 0.4397 0.0460 0.0985 -0.0781 931 ALA A CA +337 C C . ALA A 50 ? 0.6814 1.2683 0.5039 0.0502 0.0957 -0.0914 931 ALA A C +338 O O . ALA A 50 ? 0.6780 1.2741 0.4890 0.0669 0.0897 -0.0837 931 ALA A O +339 C CB . ALA A 50 ? 0.6477 1.1998 0.4481 0.0589 0.0991 -0.0765 931 ALA A CB +340 N N . LEU A 51 ? 0.6410 1.2606 0.4897 0.0357 0.1007 -0.1118 932 LEU A N +341 C CA . LEU A 51 ? 1.0275 1.7040 0.8967 0.0383 0.0980 -0.1342 932 LEU A CA +342 C C . LEU A 51 ? 1.5634 2.2506 1.4269 0.0487 0.0903 -0.1336 932 LEU A C +343 O O . LEU A 51 ? 1.1076 1.8480 0.9858 0.0555 0.0865 -0.1534 932 LEU A O +344 C CB . LEU A 51 ? 1.0307 1.7557 0.8978 0.0547 0.0973 -0.1420 932 LEU A CB +345 C CG . LEU A 51 ? 1.0987 1.8314 0.9765 0.0449 0.1057 -0.1473 932 LEU A CG +346 C CD1 . LEU A 51 ? 1.1096 1.8492 0.9625 0.0674 0.1027 -0.1368 932 LEU A CD1 +347 C CD2 . LEU A 51 ? 1.1332 1.9202 1.0496 0.0318 0.1100 -0.1768 932 LEU A CD2 +348 N N . TRP A 63 ? 0.7623 1.4281 0.8205 -0.0576 0.0920 -0.2493 944 TRP A N +349 C CA . TRP A 63 ? 0.7572 1.3767 0.7672 -0.0477 0.0917 -0.2156 944 TRP A CA +350 C C . TRP A 63 ? 0.8096 1.3633 0.8203 -0.0630 0.0967 -0.2010 944 TRP A C +351 O O . TRP A 63 ? 0.7971 1.3119 0.7726 -0.0560 0.0958 -0.1772 944 TRP A O +352 C CB . TRP A 63 ? 0.7389 1.3572 0.7151 -0.0366 0.0973 -0.1909 944 TRP A CB +353 C CG . TRP A 63 ? 0.7467 1.3284 0.6789 -0.0233 0.0947 -0.1618 944 TRP A CG +354 C CD1 . TRP A 63 ? 0.7789 1.3510 0.6955 -0.0148 0.0869 -0.1568 944 TRP A CD1 +355 C CD2 . TRP A 63 ? 0.7476 1.3021 0.6505 -0.0168 0.0996 -0.1365 944 TRP A CD2 +356 N NE1 . TRP A 63 ? 0.7726 1.3091 0.6557 -0.0062 0.0874 -0.1297 944 TRP A NE1 +357 C CE2 . TRP A 63 ? 0.7946 1.3197 0.6690 -0.0062 0.0941 -0.1184 944 TRP A CE2 +358 C CE3 . TRP A 63 ? 0.7666 1.3218 0.6671 -0.0184 0.1076 -0.1293 944 TRP A CE3 +359 C CZ2 . TRP A 63 ? 0.7894 1.2840 0.6367 0.0027 0.0953 -0.0963 944 TRP A CZ2 +360 C CZ3 . TRP A 63 ? 0.7879 1.3154 0.6572 -0.0073 0.1081 -0.1072 944 TRP A CZ3 +361 C CH2 . TRP A 63 ? 0.7946 1.2909 0.6395 0.0030 0.1015 -0.0923 944 TRP A CH2 +362 N N . LYS A 64 ? 0.7770 1.3197 0.8311 -0.0829 0.1017 -0.2165 945 LYS A N +363 C CA . LYS A 64 ? 0.7874 1.2690 0.8462 -0.0960 0.1074 -0.2022 945 LYS A CA +364 C C . LYS A 64 ? 0.8059 1.2642 0.8517 -0.0886 0.0959 -0.2052 945 LYS A C +365 O O . LYS A 64 ? 0.8152 1.2210 0.8455 -0.0914 0.0996 -0.1853 945 LYS A O +366 C CB . LYS A 64 ? 0.8417 1.3151 0.9549 -0.1195 0.1175 -0.2143 945 LYS A CB +367 C CG . LYS A 64 ? 1.0548 1.5245 1.1679 -0.1288 0.1347 -0.1926 945 LYS A CG +368 C CD . LYS A 64 ? 1.2165 1.6903 1.3915 -0.1537 0.1464 -0.2058 945 LYS A CD +369 C CE . LYS A 64 ? 1.3007 1.7806 1.4742 -0.1616 0.1645 -0.1830 945 LYS A CE +370 N NZ . LYS A 64 ? 1.3969 1.8773 1.6349 -0.1887 0.1791 -0.1906 945 LYS A NZ +371 N N . GLN A 65 ? 0.7226 1.2244 0.7718 -0.0765 0.0823 -0.2291 946 GLN A N +372 C CA . GLN A 65 ? 0.7027 1.1938 0.7395 -0.0676 0.0709 -0.2338 946 GLN A CA +373 C C . GLN A 65 ? 0.6960 1.1602 0.6811 -0.0551 0.0709 -0.2024 946 GLN A C +374 O O . GLN A 65 ? 0.6938 1.1162 0.6673 -0.0561 0.0691 -0.1933 946 GLN A O +375 C CB . GLN A 65 ? 0.7105 1.2635 0.7691 -0.0570 0.0568 -0.2696 946 GLN A CB +376 C CG . GLN A 65 ? 0.8593 1.4736 0.8968 -0.0379 0.0533 -0.2695 946 GLN A CG +377 C CD . GLN A 65 ? 0.9728 1.6259 0.9972 -0.0190 0.0409 -0.2794 946 GLN A CD +378 O OE1 . GLN A 65 ? 0.8470 1.5195 0.8983 -0.0180 0.0304 -0.3095 946 GLN A OE1 +379 N NE2 . GLN A 65 ? 0.8587 1.5269 0.8441 -0.0027 0.0421 -0.2543 946 GLN A NE2 +380 N N . GLU A 66 ? 0.6062 1.0926 0.5637 -0.0433 0.0729 -0.1867 947 GLU A N +381 C CA . GLU A 66 ? 0.5852 1.0468 0.5016 -0.0327 0.0730 -0.1588 947 GLU A CA +382 C C . GLU A 66 ? 0.6571 1.0598 0.5596 -0.0404 0.0808 -0.1381 947 GLU A C +383 O O . GLU A 66 ? 0.6634 1.0346 0.5458 -0.0364 0.0779 -0.1268 947 GLU A O +384 C CB . GLU A 66 ? 0.5847 1.0768 0.4821 -0.0195 0.0746 -0.1464 947 GLU A CB +385 C CG . GLU A 66 ? 0.6248 1.0878 0.4885 -0.0102 0.0749 -0.1192 947 GLU A CG +386 C CD . GLU A 66 ? 0.6646 1.1465 0.5110 0.0037 0.0761 -0.1037 947 GLU A CD +387 O OE1 . GLU A 66 ? 0.5438 0.9970 0.3700 0.0095 0.0762 -0.0835 947 GLU A OE1 +388 O OE2 . GLU A 66 ? 0.5626 1.0884 0.4176 0.0100 0.0763 -0.1129 947 GLU A OE2 +389 N N . ILE A 67 ? 0.6132 1.0065 0.5276 -0.0503 0.0910 -0.1339 948 ILE A N +390 C CA . ILE A 67 ? 0.6225 0.9696 0.5245 -0.0550 0.1001 -0.1133 948 ILE A CA +391 C C . ILE A 67 ? 0.6780 0.9875 0.5905 -0.0621 0.0994 -0.1157 948 ILE A C +392 O O . ILE A 67 ? 0.6867 0.9615 0.5738 -0.0555 0.0987 -0.1004 948 ILE A O +393 C CB . ILE A 67 ? 0.6738 1.0298 0.5857 -0.0621 0.1126 -0.1061 948 ILE A CB +394 C CG1 . ILE A 67 ? 0.6697 1.0498 0.5576 -0.0487 0.1116 -0.0977 948 ILE A CG1 +395 C CG2 . ILE A 67 ? 0.6974 1.0116 0.6036 -0.0677 0.1242 -0.0853 948 ILE A CG2 +396 C CD1 . ILE A 67 ? 0.7510 1.1703 0.6565 -0.0524 0.1180 -0.1052 948 ILE A CD1 +397 N N . ASP A 68 ? 0.6315 0.9499 0.5828 -0.0734 0.0977 -0.1375 949 ASP A N +398 C CA . ASP A 68 ? 0.6502 0.9315 0.6163 -0.0790 0.0956 -0.1420 949 ASP A CA +399 C C . ASP A 68 ? 0.6749 0.9480 0.6177 -0.0664 0.0827 -0.1457 949 ASP A C +400 O O . ASP A 68 ? 0.6794 0.9120 0.6148 -0.0648 0.0822 -0.1383 949 ASP A O +401 C CB . ASP A 68 ? 0.6880 0.9821 0.7080 -0.0935 0.0946 -0.1693 949 ASP A CB +402 C CG . ASP A 68 ? 0.8643 1.1497 0.9159 -0.1107 0.1105 -0.1619 949 ASP A CG +403 O OD1 . ASP A 68 ? 0.8981 1.1448 0.9341 -0.1129 0.1234 -0.1320 949 ASP A OD1 +404 O OD2 . ASP A 68 ? 0.9370 1.2573 1.0317 -0.1215 0.1103 -0.1869 949 ASP A OD2 +405 N N . ILE A 69 ? 0.5929 0.9063 0.5239 -0.0562 0.0734 -0.1552 950 ILE A N +406 C CA . ILE A 69 ? 0.5722 0.8871 0.4824 -0.0448 0.0628 -0.1568 950 ILE A CA +407 C C . ILE A 69 ? 0.6170 0.8968 0.4906 -0.0380 0.0665 -0.1306 950 ILE A C +408 O O . ILE A 69 ? 0.6057 0.8547 0.4691 -0.0347 0.0631 -0.1281 950 ILE A O +409 C CB . ILE A 69 ? 0.5807 0.9533 0.4907 -0.0353 0.0547 -0.1695 950 ILE A CB +410 C CG1 . ILE A 69 ? 0.5785 0.9888 0.5254 -0.0372 0.0462 -0.2036 950 ILE A CG1 +411 C CG2 . ILE A 69 ? 0.5720 0.9456 0.4546 -0.0240 0.0487 -0.1594 950 ILE A CG2 +412 C CD1 . ILE A 69 ? 0.5726 1.0531 0.5238 -0.0256 0.0402 -0.2181 950 ILE A CD1 +413 N N . LEU A 70 ? 0.5785 0.8643 0.4347 -0.0345 0.0723 -0.1141 951 LEU A N +414 C CA . LEU A 70 ? 0.5916 0.8503 0.4182 -0.0267 0.0744 -0.0942 951 LEU A CA +415 C C . LEU A 70 ? 0.6682 0.8848 0.4872 -0.0276 0.0807 -0.0833 951 LEU A C +416 O O . LEU A 70 ? 0.6785 0.8725 0.4758 -0.0186 0.0781 -0.0751 951 LEU A O +417 C CB . LEU A 70 ? 0.5873 0.8627 0.4032 -0.0218 0.0782 -0.0828 951 LEU A CB +418 C CG . LEU A 70 ? 0.6579 0.9154 0.4499 -0.0115 0.0759 -0.0692 951 LEU A CG +419 C CD1 . LEU A 70 ? 0.6517 0.9243 0.4416 -0.0067 0.0683 -0.0707 951 LEU A CD1 +420 C CD2 . LEU A 70 ? 0.6981 0.9612 0.4826 -0.0065 0.0806 -0.0591 951 LEU A CD2 +421 N N . ARG A 71 ? 0.6264 0.8352 0.4658 -0.0378 0.0891 -0.0834 952 ARG A N +422 C CA . ARG A 71 ? 0.6525 0.8243 0.4892 -0.0390 0.0982 -0.0689 952 ARG A CA +423 C C . ARG A 71 ? 0.7073 0.8493 0.5380 -0.0333 0.0915 -0.0721 952 ARG A C +424 O O . ARG A 71 ? 0.7249 0.8386 0.5341 -0.0236 0.0950 -0.0566 952 ARG A O +425 C CB . ARG A 71 ? 0.6896 0.8632 0.5617 -0.0548 0.1085 -0.0713 952 ARG A CB +426 C CG . ARG A 71 ? 0.8650 1.0404 0.7342 -0.0577 0.1235 -0.0516 952 ARG A CG +427 C CD . ARG A 71 ? 1.0849 1.2591 0.9957 -0.0760 0.1354 -0.0528 952 ARG A CD +428 N NE . ARG A 71 ? 1.2807 1.4113 1.1995 -0.0784 0.1429 -0.0383 952 ARG A NE +429 C CZ . ARG A 71 ? 1.4969 1.6069 1.4439 -0.0854 0.1374 -0.0526 952 ARG A CZ +430 N NH1 . ARG A 71 ? 1.3192 1.4539 1.2890 -0.0901 0.1239 -0.0844 952 ARG A NH1 +431 N NH2 . ARG A 71 ? 1.3768 1.4436 1.3295 -0.0853 0.1452 -0.0354 952 ARG A NH2 +432 N N . THR A 72 ? 0.6371 0.7901 0.4869 -0.0368 0.0812 -0.0939 953 THR A N +433 C CA . THR A 72 ? 0.6361 0.7663 0.4843 -0.0308 0.0726 -0.1023 953 THR A CA +434 C C . THR A 72 ? 0.6498 0.7876 0.4699 -0.0179 0.0623 -0.1045 953 THR A C +435 O O . THR A 72 ? 0.6525 0.7765 0.4681 -0.0108 0.0542 -0.1126 953 THR A O +436 C CB . THR A 72 ? 0.7017 0.8458 0.5869 -0.0389 0.0649 -0.1289 953 THR A CB +437 O OG1 . THR A 72 ? 0.6432 0.8363 0.5324 -0.0381 0.0566 -0.1457 953 THR A OG1 +438 C CG2 . THR A 72 ? 0.6902 0.8232 0.6132 -0.0539 0.0745 -0.1305 953 THR A CG2 +439 N N . LEU A 73 ? 0.5721 0.7319 0.3768 -0.0148 0.0626 -0.0980 954 LEU A N +440 C CA . LEU A 73 ? 0.5473 0.7160 0.3339 -0.0057 0.0543 -0.0997 954 LEU A CA +441 C C . LEU A 73 ? 0.6286 0.7765 0.3900 0.0045 0.0567 -0.0858 954 LEU A C +442 O O . LEU A 73 ? 0.6377 0.7864 0.3927 0.0052 0.0634 -0.0741 954 LEU A O +443 C CB . LEU A 73 ? 0.5132 0.7221 0.3055 -0.0081 0.0518 -0.1031 954 LEU A CB +444 C CG . LEU A 73 ? 0.5408 0.7860 0.3560 -0.0132 0.0474 -0.1202 954 LEU A CG +445 C CD1 . LEU A 73 ? 0.5100 0.7937 0.3262 -0.0122 0.0487 -0.1156 954 LEU A CD1 +446 C CD2 . LEU A 73 ? 0.5615 0.8152 0.3808 -0.0089 0.0370 -0.1367 954 LEU A CD2 +447 N N A TYR A 74 ? 0.5947 0.7290 0.3427 0.0144 0.0499 -0.0899 955 TYR A N +448 N N B TYR A 74 ? 0.5900 0.7238 0.3383 0.0144 0.0499 -0.0901 955 TYR A N +449 C CA A TYR A 74 ? 0.5978 0.7197 0.3244 0.0270 0.0493 -0.0832 955 TYR A CA +450 C CA B TYR A 74 ? 0.5922 0.7124 0.3184 0.0275 0.0490 -0.0837 955 TYR A CA +451 C C A TYR A 74 ? 0.6178 0.7504 0.3416 0.0321 0.0389 -0.0955 955 TYR A C +452 C C B TYR A 74 ? 0.6122 0.7459 0.3370 0.0316 0.0386 -0.0962 955 TYR A C +453 O O A TYR A 74 ? 0.6218 0.7489 0.3440 0.0366 0.0326 -0.1055 955 TYR A O +454 O O B TYR A 74 ? 0.6120 0.7425 0.3364 0.0353 0.0320 -0.1069 955 TYR A O +455 C CB A TYR A 74 ? 0.6450 0.7376 0.3561 0.0377 0.0548 -0.0726 955 TYR A CB +456 C CB B TYR A 74 ? 0.6365 0.7263 0.3479 0.0388 0.0524 -0.0762 955 TYR A CB +457 C CG A TYR A 74 ? 0.6846 0.7737 0.3732 0.0544 0.0540 -0.0679 955 TYR A CG +458 C CG B TYR A 74 ? 0.6763 0.7504 0.3961 0.0323 0.0641 -0.0626 955 TYR A CG +459 C CD1 A TYR A 74 ? 0.7256 0.8046 0.3977 0.0708 0.0475 -0.0737 955 TYR A CD1 +460 C CD1 B TYR A 74 ? 0.7104 0.7830 0.4213 0.0352 0.0748 -0.0455 955 TYR A CD1 +461 C CD2 A TYR A 74 ? 0.6908 0.7903 0.3758 0.0562 0.0584 -0.0607 955 TYR A CD2 +462 C CD2 B TYR A 74 ? 0.6972 0.7585 0.4366 0.0240 0.0647 -0.0675 955 TYR A CD2 +463 C CE1 A TYR A 74 ? 0.7466 0.8291 0.4002 0.0889 0.0452 -0.0740 955 TYR A CE1 +464 C CE1 B TYR A 74 ? 0.7377 0.7988 0.4598 0.0276 0.0878 -0.0309 955 TYR A CE1 +465 C CE2 A TYR A 74 ? 0.7122 0.8135 0.3799 0.0739 0.0557 -0.0615 955 TYR A CE2 +466 C CE2 B TYR A 74 ? 0.7272 0.7725 0.4821 0.0156 0.0767 -0.0548 955 TYR A CE2 +467 C CZ A TYR A 74 ? 0.8283 0.9226 0.4809 0.0904 0.0490 -0.0689 955 TYR A CZ +468 C CZ B TYR A 74 ? 0.8094 0.8552 0.5555 0.0165 0.0893 -0.0349 955 TYR A CZ +469 O OH A TYR A 74 ? 0.8717 0.9744 0.5094 0.1103 0.0448 -0.0743 955 TYR A OH +470 O OH B TYR A 74 ? 0.8199 0.8529 0.5846 0.0065 0.1032 -0.0204 955 TYR A OH +471 N N . HIS A 75 ? 0.5349 0.6848 0.2626 0.0303 0.0373 -0.0950 956 HIS A N +472 C CA . HIS A 75 ? 0.5094 0.6741 0.2421 0.0315 0.0298 -0.1042 956 HIS A CA +473 C C . HIS A 75 ? 0.5468 0.7147 0.2840 0.0325 0.0305 -0.0997 956 HIS A C +474 O O . HIS A 75 ? 0.5355 0.7051 0.2762 0.0289 0.0360 -0.0896 956 HIS A O +475 C CB . HIS A 75 ? 0.4975 0.6911 0.2460 0.0218 0.0279 -0.1088 956 HIS A CB +476 C CG . HIS A 75 ? 0.5293 0.7417 0.2844 0.0224 0.0219 -0.1167 956 HIS A CG +477 N ND1 . HIS A 75 ? 0.5379 0.7669 0.3063 0.0170 0.0241 -0.1093 956 HIS A ND1 +478 C CD2 . HIS A 75 ? 0.5495 0.7664 0.3016 0.0277 0.0145 -0.1307 956 HIS A CD2 +479 C CE1 . HIS A 75 ? 0.5241 0.7690 0.2992 0.0173 0.0192 -0.1183 956 HIS A CE1 +480 N NE2 . HIS A 75 ? 0.5348 0.7753 0.2992 0.0243 0.0127 -0.1326 956 HIS A NE2 +481 N N . GLU A 76 ? 0.4976 0.6676 0.2381 0.0377 0.0242 -0.1093 957 GLU A N +482 C CA . GLU A 76 ? 0.4812 0.6523 0.2342 0.0388 0.0228 -0.1101 957 GLU A CA +483 C C . GLU A 76 ? 0.5087 0.6948 0.2835 0.0262 0.0270 -0.0987 957 GLU A C +484 O O . GLU A 76 ? 0.4987 0.6800 0.2867 0.0265 0.0271 -0.0959 957 GLU A O +485 C CB . GLU A 76 ? 0.5000 0.6732 0.2579 0.0464 0.0144 -0.1275 957 GLU A CB +486 C CG . GLU A 76 ? 0.6026 0.7959 0.3755 0.0375 0.0118 -0.1334 957 GLU A CG +487 C CD . GLU A 76 ? 0.8576 1.0586 0.6429 0.0424 0.0041 -0.1522 957 GLU A CD +488 O OE1 . GLU A 76 ? 0.8700 1.0834 0.6516 0.0446 -0.0004 -0.1631 957 GLU A OE1 +489 O OE2 . GLU A 76 ? 0.7279 0.9249 0.5297 0.0444 0.0019 -0.1585 957 GLU A OE2 +490 N N . HIS A 77 ? 0.4541 0.6601 0.2336 0.0174 0.0300 -0.0927 958 HIS A N +491 C CA . HIS A 77 ? 0.4462 0.6727 0.2429 0.0089 0.0353 -0.0783 958 HIS A CA +492 C C . HIS A 77 ? 0.4981 0.7367 0.2891 0.0068 0.0408 -0.0683 958 HIS A C +493 O O . HIS A 77 ? 0.4980 0.7628 0.2987 0.0031 0.0449 -0.0573 958 HIS A O +494 C CB . HIS A 77 ? 0.4485 0.7003 0.2609 0.0030 0.0346 -0.0786 958 HIS A CB +495 C CG . HIS A 77 ? 0.5012 0.7441 0.3291 0.0026 0.0307 -0.0872 958 HIS A CG +496 N ND1 . HIS A 77 ? 0.5329 0.7591 0.3781 0.0019 0.0316 -0.0831 958 HIS A ND1 +497 C CD2 . HIS A 77 ? 0.5224 0.7729 0.3535 0.0037 0.0250 -0.1029 958 HIS A CD2 +498 C CE1 . HIS A 77 ? 0.5267 0.7513 0.3878 0.0017 0.0263 -0.0978 958 HIS A CE1 +499 N NE2 . HIS A 77 ? 0.5264 0.7668 0.3787 0.0027 0.0226 -0.1095 958 HIS A NE2 +500 N N . ILE A 78 ? 0.4475 0.6700 0.2243 0.0103 0.0416 -0.0715 959 ILE A N +501 C CA . ILE A 78 ? 0.4389 0.6720 0.2137 0.0080 0.0467 -0.0661 959 ILE A CA +502 C C . ILE A 78 ? 0.5243 0.7378 0.2916 0.0125 0.0497 -0.0613 959 ILE A C +503 O O . ILE A 78 ? 0.5132 0.7048 0.2695 0.0185 0.0481 -0.0662 959 ILE A O +504 C CB . ILE A 78 ? 0.4732 0.7120 0.2452 0.0056 0.0455 -0.0770 959 ILE A CB +505 C CG1 . ILE A 78 ? 0.4540 0.7263 0.2357 0.0034 0.0419 -0.0831 959 ILE A CG1 +506 C CG2 . ILE A 78 ? 0.4821 0.7247 0.2558 0.0025 0.0510 -0.0755 959 ILE A CG2 +507 C CD1 . ILE A 78 ? 0.3999 0.6766 0.1832 0.0031 0.0372 -0.0994 959 ILE A CD1 +508 N N . ILE A 79 ? 0.5003 0.7260 0.2723 0.0122 0.0540 -0.0517 960 ILE A N +509 C CA . ILE A 79 ? 0.5070 0.7215 0.2727 0.0176 0.0567 -0.0481 960 ILE A CA +510 C C . ILE A 79 ? 0.5614 0.7650 0.3156 0.0178 0.0599 -0.0525 960 ILE A C +511 O O . ILE A 79 ? 0.5435 0.7547 0.3006 0.0110 0.0625 -0.0559 960 ILE A O +512 C CB . ILE A 79 ? 0.5463 0.7798 0.3185 0.0186 0.0603 -0.0384 960 ILE A CB +513 C CG1 . ILE A 79 ? 0.5549 0.7763 0.3233 0.0274 0.0601 -0.0361 960 ILE A CG1 +514 C CG2 . ILE A 79 ? 0.5601 0.8203 0.3342 0.0136 0.0646 -0.0403 960 ILE A CG2 +515 C CD1 . ILE A 79 ? 0.5778 0.7833 0.3567 0.0334 0.0546 -0.0345 960 ILE A CD1 +516 N N . LYS A 80 ? 0.5559 0.7423 0.2992 0.0268 0.0593 -0.0531 961 LYS A N +517 C CA . LYS A 80 ? 0.5784 0.7535 0.3088 0.0300 0.0641 -0.0520 961 LYS A CA +518 C C . LYS A 80 ? 0.6732 0.8588 0.4045 0.0266 0.0731 -0.0447 961 LYS A C +519 O O . LYS A 80 ? 0.6832 0.8785 0.4135 0.0321 0.0740 -0.0419 961 LYS A O +520 C CB . LYS A 80 ? 0.6134 0.7748 0.3302 0.0451 0.0598 -0.0557 961 LYS A CB +521 C CG . LYS A 80 ? 0.8030 0.9555 0.5027 0.0536 0.0659 -0.0498 961 LYS A CG +522 C CD . LYS A 80 ? 0.9303 1.0860 0.6163 0.0730 0.0633 -0.0522 961 LYS A CD +523 C CE . LYS A 80 ? 0.9410 1.0933 0.6274 0.0846 0.0512 -0.0679 961 LYS A CE +524 N NZ . LYS A 80 ? 1.0192 1.1605 0.6959 0.0888 0.0487 -0.0719 961 LYS A NZ +525 N N . TYR A 81 ? 0.6408 0.8245 0.3769 0.0176 0.0796 -0.0432 962 TYR A N +526 C CA . TYR A 81 ? 0.6487 0.8421 0.3914 0.0113 0.0900 -0.0369 962 TYR A CA +527 C C . TYR A 81 ? 0.7327 0.9160 0.4583 0.0227 0.0961 -0.0263 962 TYR A C +528 O O . TYR A 81 ? 0.7408 0.9047 0.4539 0.0303 0.0956 -0.0231 962 TYR A O +529 C CB . TYR A 81 ? 0.6689 0.8583 0.4290 -0.0023 0.0942 -0.0407 962 TYR A CB +530 C CG . TYR A 81 ? 0.7158 0.9113 0.4899 -0.0116 0.1067 -0.0342 962 TYR A CG +531 C CD1 . TYR A 81 ? 0.7329 0.9576 0.5272 -0.0214 0.1094 -0.0414 962 TYR A CD1 +532 C CD2 . TYR A 81 ? 0.7542 0.9287 0.5238 -0.0105 0.1166 -0.0203 962 TYR A CD2 +533 C CE1 . TYR A 81 ? 0.7554 0.9889 0.5686 -0.0321 0.1215 -0.0375 962 TYR A CE1 +534 C CE2 . TYR A 81 ? 0.7803 0.9612 0.5681 -0.0214 0.1304 -0.0116 962 TYR A CE2 +535 C CZ . TYR A 81 ? 0.8715 1.0819 0.6830 -0.0336 0.1327 -0.0217 962 TYR A CZ +536 O OH . TYR A 81 ? 0.9054 1.1252 0.7407 -0.0465 0.1468 -0.0153 962 TYR A OH +537 N N . LYS A 82 ? 0.7047 0.9055 0.4281 0.0265 0.1015 -0.0210 963 LYS A N +538 C CA . LYS A 82 ? 0.7206 0.9225 0.4272 0.0399 0.1080 -0.0104 963 LYS A CA +539 C C . LYS A 82 ? 0.8329 1.0436 0.5491 0.0299 0.1241 0.0032 963 LYS A C +540 O O . LYS A 82 ? 0.8602 1.0635 0.5658 0.0365 0.1336 0.0181 963 LYS A O +541 C CB . LYS A 82 ? 0.7261 0.9444 0.4233 0.0555 0.1014 -0.0160 963 LYS A CB +542 C CG . LYS A 82 ? 0.7858 0.9917 0.4782 0.0663 0.0869 -0.0284 963 LYS A CG +543 C CD . LYS A 82 ? 0.9333 1.1507 0.6169 0.0867 0.0800 -0.0357 963 LYS A CD +544 C CE . LYS A 82 ? 1.0438 1.2634 0.7072 0.1054 0.0815 -0.0337 963 LYS A CE +545 N NZ . LYS A 82 ? 1.1735 1.4144 0.8297 0.1272 0.0753 -0.0432 963 LYS A NZ +546 N N . GLY A 83 ? 0.8098 1.0379 0.5478 0.0145 0.1276 -0.0017 964 GLY A N +547 C CA . GLY A 83 ? 0.8330 1.0738 0.5904 0.0006 0.1426 0.0069 964 GLY A CA +548 C C . GLY A 83 ? 0.8953 1.1681 0.6719 -0.0087 0.1423 -0.0047 964 GLY A C +549 O O . GLY A 83 ? 0.8665 1.1470 0.6436 -0.0066 0.1307 -0.0179 964 GLY A O +550 N N . CYS A 84 ? 0.8932 1.1876 0.6867 -0.0184 0.1559 0.0014 965 CYS A N +551 C CA . CYS A 84 ? 0.8935 1.2253 0.7062 -0.0257 0.1566 -0.0110 965 CYS A CA +552 C C . CYS A 84 ? 0.9413 1.3027 0.7605 -0.0276 0.1711 -0.0011 965 CYS A C +553 O O . CYS A 84 ? 0.9519 1.3046 0.7705 -0.0298 0.1850 0.0180 965 CYS A O +554 C CB . CYS A 84 ? 0.9011 1.2384 0.7467 -0.0437 0.1545 -0.0277 965 CYS A CB +555 S SG . CYS A 84 ? 0.9823 1.3034 0.8661 -0.0671 0.1702 -0.0220 965 CYS A SG +556 N N . CYS A 85 ? 0.8777 1.2768 0.7018 -0.0246 0.1683 -0.0128 966 CYS A N +557 C CA . CYS A 85 ? 0.8783 1.3155 0.7087 -0.0246 0.1799 -0.0080 966 CYS A CA +558 C C . CYS A 85 ? 0.8992 1.3740 0.7639 -0.0398 0.1828 -0.0257 966 CYS A C +559 O O . CYS A 85 ? 0.8771 1.3564 0.7497 -0.0408 0.1712 -0.0437 966 CYS A O +560 C CB . CYS A 85 ? 0.8796 1.3315 0.6784 0.0008 0.1713 -0.0079 966 CYS A CB +561 S SG . CYS A 85 ? 0.9059 1.3555 0.6927 0.0154 0.1495 -0.0264 966 CYS A SG +562 N N . GLU A 86 ? 0.8515 1.3590 0.7371 -0.0500 0.1985 -0.0209 967 GLU A N +563 C CA . GLU A 86 ? 1.0036 1.5542 0.9264 -0.0647 0.2025 -0.0402 967 GLU A CA +564 C C . GLU A 86 ? 1.4191 2.0104 1.3265 -0.0462 0.1911 -0.0560 967 GLU A C +565 O O . GLU A 86 ? 0.9970 1.5915 0.8717 -0.0251 0.1865 -0.0479 967 GLU A O +566 C CB . GLU A 86 ? 1.0381 1.6096 0.9938 -0.0843 0.2251 -0.0282 967 GLU A CB +567 C CG . GLU A 86 ? 1.1686 1.7035 1.1572 -0.1078 0.2367 -0.0182 967 GLU A CG +568 C CD . GLU A 86 ? 1.4284 1.9828 1.4598 -0.1308 0.2609 -0.0051 967 GLU A CD +569 O OE1 . GLU A 86 ? 1.3634 1.8983 1.3853 -0.1307 0.2768 0.0274 967 GLU A OE1 +570 O OE2 . GLU A 86 ? 1.3512 1.9430 1.4274 -0.1483 0.2646 -0.0271 967 GLU A OE2 +571 N N . LEU A 93 ? 0.8515 1.4559 0.8110 -0.0592 0.1577 -0.1210 974 LEU A N +572 C CA . LEU A 93 ? 0.8524 1.3994 0.7891 -0.0583 0.1566 -0.1010 974 LEU A CA +573 C C . LEU A 93 ? 0.8679 1.3988 0.7655 -0.0358 0.1422 -0.0949 974 LEU A C +574 O O . LEU A 93 ? 0.8566 1.4106 0.7538 -0.0267 0.1319 -0.1080 974 LEU A O +575 C CB . LEU A 93 ? 0.8571 1.3815 0.8240 -0.0767 0.1574 -0.1097 974 LEU A CB +576 C CG . LEU A 93 ? 0.9263 1.3928 0.8766 -0.0787 0.1589 -0.0900 974 LEU A CG +577 C CD1 . LEU A 93 ? 0.9526 1.4000 0.9069 -0.0881 0.1762 -0.0673 974 LEU A CD1 +578 C CD2 . LEU A 93 ? 0.9596 1.4101 0.9364 -0.0904 0.1537 -0.1051 974 LEU A CD2 +579 N N . GLN A 94 ? 0.7977 1.2921 0.6650 -0.0261 0.1419 -0.0749 975 GLN A N +580 C CA . GLN A 94 ? 0.7758 1.2494 0.6122 -0.0071 0.1295 -0.0683 975 GLN A CA +581 C C . GLN A 94 ? 0.7958 1.2214 0.6197 -0.0092 0.1276 -0.0573 975 GLN A C +582 O O . GLN A 94 ? 0.8113 1.2170 0.6326 -0.0144 0.1361 -0.0463 975 GLN A O +583 C CB . GLN A 94 ? 0.7992 1.2812 0.6135 0.0114 0.1275 -0.0612 975 GLN A CB +584 C CG . GLN A 94 ? 0.9997 1.5294 0.8204 0.0195 0.1265 -0.0723 975 GLN A CG +585 C CD . GLN A 94 ? 1.1731 1.7081 0.9727 0.0394 0.1232 -0.0670 975 GLN A CD +586 O OE1 . GLN A 94 ? 1.1098 1.6507 0.9062 0.0391 0.1312 -0.0614 975 GLN A OE1 +587 N NE2 . GLN A 94 ? 1.0308 1.5659 0.8170 0.0587 0.1115 -0.0681 975 GLN A NE2 +588 N N . LEU A 95 ? 0.7043 1.1147 0.5201 -0.0038 0.1170 -0.0591 976 LEU A N +589 C CA . LEU A 95 ? 0.6835 1.0532 0.4882 -0.0046 0.1137 -0.0519 976 LEU A CA +590 C C . LEU A 95 ? 0.7040 1.0508 0.4834 0.0111 0.1090 -0.0414 976 LEU A C +591 O O . LEU A 95 ? 0.6959 1.0492 0.4671 0.0240 0.1018 -0.0414 976 LEU A O +592 C CB . LEU A 95 ? 0.6685 1.0387 0.4792 -0.0064 0.1052 -0.0599 976 LEU A CB +593 C CG . LEU A 95 ? 0.7222 1.0566 0.5222 -0.0057 0.0998 -0.0552 976 LEU A CG +594 C CD1 . LEU A 95 ? 0.7253 1.0335 0.5300 -0.0159 0.1060 -0.0531 976 LEU A CD1 +595 C CD2 . LEU A 95 ? 0.7472 1.0951 0.5542 -0.0061 0.0923 -0.0633 976 LEU A CD2 +596 N N . VAL A 96 ? 0.6510 0.9718 0.4202 0.0116 0.1127 -0.0334 977 VAL A N +597 C CA . VAL A 96 ? 0.6444 0.9472 0.3926 0.0280 0.1071 -0.0284 977 VAL A CA +598 C C . VAL A 96 ? 0.6531 0.9251 0.3954 0.0284 0.0999 -0.0291 977 VAL A C +599 O O . VAL A 96 ? 0.6409 0.8972 0.3848 0.0204 0.1041 -0.0265 977 VAL A O +600 C CB . VAL A 96 ? 0.7049 1.0132 0.4420 0.0353 0.1158 -0.0200 977 VAL A CB +601 C CG1 . VAL A 96 ? 0.7087 1.0023 0.4257 0.0550 0.1075 -0.0203 977 VAL A CG1 +602 C CG2 . VAL A 96 ? 0.6998 1.0441 0.4424 0.0372 0.1214 -0.0211 977 VAL A CG2 +603 N N . MET A 97 ? 0.5807 0.8448 0.3194 0.0376 0.0893 -0.0326 978 MET A N +604 C CA . MET A 97 ? 0.5662 0.8067 0.3026 0.0384 0.0819 -0.0351 978 MET A CA +605 C C . MET A 97 ? 0.6245 0.8525 0.3528 0.0542 0.0738 -0.0387 978 MET A C +606 O O . MET A 97 ? 0.6313 0.8697 0.3569 0.0654 0.0725 -0.0401 978 MET A O +607 C CB . MET A 97 ? 0.5726 0.8196 0.3210 0.0324 0.0773 -0.0363 978 MET A CB +608 C CG . MET A 97 ? 0.6032 0.8693 0.3627 0.0197 0.0821 -0.0389 978 MET A CG +609 S SD . MET A 97 ? 0.6366 0.9244 0.4062 0.0198 0.0772 -0.0382 978 MET A SD +610 C CE . MET A 97 ? 0.5953 0.8979 0.3630 0.0325 0.0768 -0.0318 978 MET A CE +611 N N . GLU A 98 ? 0.5738 0.7825 0.3015 0.0559 0.0673 -0.0433 979 GLU A N +612 C CA . GLU A 98 ? 0.5688 0.7670 0.2968 0.0699 0.0577 -0.0523 979 GLU A CA +613 C C . GLU A 98 ? 0.5801 0.7788 0.3250 0.0714 0.0520 -0.0527 979 GLU A C +614 O O . GLU A 98 ? 0.5668 0.7691 0.3217 0.0610 0.0540 -0.0451 979 GLU A O +615 C CB . GLU A 98 ? 0.5859 0.7676 0.3139 0.0694 0.0523 -0.0592 979 GLU A CB +616 C CG . GLU A 98 ? 0.6736 0.8519 0.4144 0.0548 0.0518 -0.0564 979 GLU A CG +617 C CD . GLU A 98 ? 0.8041 0.9710 0.5524 0.0547 0.0446 -0.0653 979 GLU A CD +618 O OE1 . GLU A 98 ? 0.7718 0.9319 0.5212 0.0665 0.0375 -0.0771 979 GLU A OE1 +619 O OE2 . GLU A 98 ? 0.5747 0.7442 0.3299 0.0436 0.0454 -0.0625 979 GLU A OE2 +620 N N . TYR A 99 ? 0.3827 1.4309 0.2946 0.3978 -0.0237 -0.1184 980 TYR A N +621 C CA . TYR A 99 ? 0.3838 1.3975 0.2807 0.4261 -0.0394 -0.1453 980 TYR A CA +622 C C . TYR A 99 ? 0.4492 1.3809 0.3367 0.4293 -0.0526 -0.1608 980 TYR A C +623 O O . TYR A 99 ? 0.4752 1.4079 0.3544 0.4397 -0.0565 -0.1661 980 TYR A O +624 C CB . TYR A 99 ? 0.4077 1.4873 0.2862 0.4701 -0.0466 -0.1636 980 TYR A CB +625 C CG . TYR A 99 ? 0.4406 1.4698 0.2979 0.5028 -0.0670 -0.1940 980 TYR A CG +626 C CD1 . TYR A 99 ? 0.4608 1.4554 0.3199 0.4989 -0.0715 -0.1983 980 TYR A CD1 +627 C CD2 . TYR A 99 ? 0.4767 1.4837 0.3109 0.5349 -0.0835 -0.2179 980 TYR A CD2 +628 C CE1 . TYR A 99 ? 0.5014 1.4408 0.3391 0.5264 -0.0918 -0.2243 980 TYR A CE1 +629 C CE2 . TYR A 99 ? 0.5210 1.4712 0.3331 0.5623 -0.1049 -0.2450 980 TYR A CE2 +630 C CZ . TYR A 99 ? 0.6344 1.5499 0.4480 0.5576 -0.1091 -0.2474 980 TYR A CZ +631 O OH . TYR A 99 ? 0.7080 1.5638 0.4980 0.5833 -0.1314 -0.2723 980 TYR A OH +632 N N A VAL A 100 ? 0.4019 1.2647 0.2907 0.4192 -0.0600 -0.1674 981 VAL A N +633 N N B VAL A 100 ? 0.4028 1.2671 0.2911 0.4203 -0.0602 -0.1679 981 VAL A N +634 C CA A VAL A 100 ? 0.4124 1.1965 0.2931 0.4182 -0.0736 -0.1808 981 VAL A CA +635 C CA B VAL A 100 ? 0.4124 1.1962 0.2938 0.4171 -0.0731 -0.1801 981 VAL A CA +636 C C A VAL A 100 ? 0.5005 1.2508 0.3571 0.4512 -0.0950 -0.2086 981 VAL A C +637 C C B VAL A 100 ? 0.5010 1.2516 0.3574 0.4515 -0.0950 -0.2088 981 VAL A C +638 O O A VAL A 100 ? 0.5050 1.2430 0.3596 0.4547 -0.0988 -0.2129 981 VAL A O +639 O O B VAL A 100 ? 0.5067 1.2453 0.3604 0.4563 -0.0994 -0.2138 981 VAL A O +640 C CB A VAL A 100 ? 0.4389 1.1655 0.3375 0.3794 -0.0671 -0.1658 981 VAL A CB +641 C CB B VAL A 100 ? 0.4372 1.1721 0.3383 0.3775 -0.0647 -0.1632 981 VAL A CB +642 C CG1 A VAL A 100 ? 0.4148 1.1570 0.3277 0.3560 -0.0535 -0.1457 981 VAL A CG1 +643 C CG1 B VAL A 100 ? 0.4472 1.1032 0.3412 0.3748 -0.0792 -0.1766 981 VAL A CG1 +644 C CG2 A VAL A 100 ? 0.4196 1.1441 0.3305 0.3617 -0.0597 -0.1556 981 VAL A CG2 +645 C CG2 B VAL A 100 ? 0.4133 1.1536 0.3297 0.3508 -0.0516 -0.1430 981 VAL A CG2 +646 N N . PRO A 101 ? 0.4888 1.2264 0.3250 0.4774 -0.1101 -0.2281 982 PRO A N +647 C CA . PRO A 101 ? 0.5251 1.2289 0.3336 0.5123 -0.1335 -0.2561 982 PRO A CA +648 C C . PRO A 101 ? 0.5890 1.2066 0.3895 0.5038 -0.1494 -0.2652 982 PRO A C +649 O O . PRO A 101 ? 0.6318 1.2337 0.4122 0.5302 -0.1648 -0.2827 982 PRO A O +650 C CB . PRO A 101 ? 0.5642 1.2759 0.3534 0.5388 -0.1453 -0.2729 982 PRO A CB +651 C CG . PRO A 101 ? 0.5869 1.3519 0.3940 0.5219 -0.1262 -0.2530 982 PRO A CG +652 C CD . PRO A 101 ? 0.4950 1.2493 0.3303 0.4785 -0.1080 -0.2262 982 PRO A CD +653 N N . LEU A 102 ? 0.5126 1.0766 0.3261 0.4700 -0.1473 -0.2545 983 LEU A N +654 C CA . LEU A 102 ? 0.5267 1.0117 0.3321 0.4598 -0.1629 -0.2615 983 LEU A CA +655 C C . LEU A 102 ? 0.5846 1.0600 0.3994 0.4466 -0.1570 -0.2524 983 LEU A C +656 O O . LEU A 102 ? 0.6199 1.0360 0.4223 0.4460 -0.1725 -0.2605 983 LEU A O +657 C CB . LEU A 102 ? 0.5166 0.9487 0.3289 0.4321 -0.1665 -0.2564 983 LEU A CB +658 C CG . LEU A 102 ? 0.5865 1.0139 0.3853 0.4460 -0.1780 -0.2692 983 LEU A CG +659 C CD1 . LEU A 102 ? 0.5869 0.9572 0.3916 0.4177 -0.1845 -0.2651 983 LEU A CD1 +660 C CD2 . LEU A 102 ? 0.6405 1.0528 0.4051 0.4871 -0.2030 -0.2971 983 LEU A CD2 +661 N N . GLY A 103 ? 0.4990 1.0330 0.3333 0.4369 -0.1363 -0.2359 984 GLY A N +662 C CA . GLY A 103 ? 0.4843 1.0199 0.3283 0.4254 -0.1294 -0.2270 984 GLY A CA +663 C C . GLY A 103 ? 0.5122 1.0043 0.3752 0.3858 -0.1211 -0.2106 984 GLY A C +664 O O . GLY A 103 ? 0.4853 0.9603 0.3598 0.3634 -0.1152 -0.2013 984 GLY A O +665 N N . SER A 104 ? 0.4703 0.9472 0.3360 0.3787 -0.1208 -0.2073 985 SER A N +666 C CA . SER A 104 ? 0.4472 0.8872 0.3296 0.3437 -0.1131 -0.1926 985 SER A CA +667 C C . SER A 104 ? 0.5425 0.9075 0.4140 0.3352 -0.1295 -0.1996 985 SER A C +668 O O . SER A 104 ? 0.5751 0.9078 0.4223 0.3582 -0.1501 -0.2170 985 SER A O +669 C CB . SER A 104 ? 0.4557 0.9141 0.3451 0.3396 -0.1062 -0.1861 985 SER A CB +670 O OG . SER A 104 ? 0.5138 0.9256 0.3867 0.3496 -0.1224 -0.1970 985 SER A OG +671 N N . LEU A 105 ? 0.4860 0.8239 0.3744 0.3019 -0.1211 -0.1855 986 LEU A N +672 C CA . LEU A 105 ? 0.5001 0.7744 0.3826 0.2865 -0.1337 -0.1872 986 LEU A CA +673 C C . LEU A 105 ? 0.5617 0.7982 0.4286 0.2930 -0.1478 -0.1937 986 LEU A C +674 O O . LEU A 105 ? 0.5886 0.7717 0.4381 0.2940 -0.1671 -0.2020 986 LEU A O +675 C CB . LEU A 105 ? 0.4724 0.7401 0.3782 0.2516 -0.1187 -0.1697 986 LEU A CB +676 C CG . LEU A 105 ? 0.5236 0.8024 0.4389 0.2430 -0.1126 -0.1655 986 LEU A CG +677 C CD1 . LEU A 105 ? 0.4938 0.7827 0.4326 0.2150 -0.0943 -0.1478 986 LEU A CD1 +678 C CD2 . LEU A 105 ? 0.5797 0.8140 0.4822 0.2421 -0.1305 -0.1748 986 LEU A CD2 +679 N N . ARG A 106 ? 0.5088 0.7729 0.3808 0.2973 -0.1394 -0.1896 987 ARG A N +680 C CA . ARG A 106 ? 0.5372 0.7730 0.3947 0.3059 -0.1512 -0.1949 987 ARG A CA +681 C C . ARG A 106 ? 0.6459 0.8560 0.4717 0.3406 -0.1757 -0.2157 987 ARG A C +682 O O . ARG A 106 ? 0.6896 0.8456 0.4966 0.3432 -0.1939 -0.2214 987 ARG A O +683 C CB . ARG A 106 ? 0.5602 0.8438 0.4300 0.3074 -0.1366 -0.1876 987 ARG A CB +684 C CG . ARG A 106 ? 0.8179 1.0730 0.6776 0.3095 -0.1453 -0.1889 987 ARG A CG +685 C CD . ARG A 106 ? 0.9982 1.3041 0.8583 0.3289 -0.1398 -0.1912 987 ARG A CD +686 N NE . ARG A 106 ? 1.1443 1.4715 0.9836 0.3683 -0.1523 -0.2088 987 ARG A NE +687 C CZ . ARG A 106 ? 1.3225 1.7015 1.1588 0.3922 -0.1500 -0.2140 987 ARG A CZ +688 N NH1 . ARG A 106 ? 1.1481 1.5472 0.9639 0.4306 -0.1623 -0.2315 987 ARG A NH1 +689 N NH2 . ARG A 106 ? 1.1349 1.5486 0.9883 0.3785 -0.1359 -0.2022 987 ARG A NH2 +690 N N . ASP A 107 ? 0.6062 0.8539 0.4245 0.3675 -0.1772 -0.2269 988 ASP A N +691 C CA . ASP A 107 ? 0.6424 0.8690 0.4287 0.4044 -0.2010 -0.2490 988 ASP A CA +692 C C . ASP A 107 ? 0.6708 0.8563 0.4450 0.4029 -0.2157 -0.2574 988 ASP A C +693 O O . ASP A 107 ? 0.6938 0.8296 0.4382 0.4227 -0.2413 -0.2740 988 ASP A O +694 C CB . ASP A 107 ? 0.6696 0.9661 0.4521 0.4387 -0.1956 -0.2583 988 ASP A CB +695 C CG . ASP A 107 ? 0.8122 1.1549 0.6058 0.4413 -0.1827 -0.2508 988 ASP A CG +696 O OD1 . ASP A 107 ? 0.8463 1.1531 0.6327 0.4386 -0.1905 -0.2505 988 ASP A OD1 +697 O OD2 . ASP A 107 ? 0.8614 1.2768 0.6704 0.4451 -0.1653 -0.2445 988 ASP A OD2 +698 N N . TYR A 108 ? 0.5882 0.7918 0.3839 0.3791 -0.2008 -0.2459 989 TYR A N +699 C CA . TYR A 108 ? 0.6008 0.7744 0.3887 0.3754 -0.2124 -0.2524 989 TYR A CA +700 C C . TYR A 108 ? 0.6772 0.7766 0.4556 0.3533 -0.2296 -0.2511 989 TYR A C +701 O O . TYR A 108 ? 0.7006 0.7553 0.4539 0.3656 -0.2537 -0.2659 989 TYR A O +702 C CB . TYR A 108 ? 0.5725 0.7895 0.3862 0.3570 -0.1912 -0.2395 989 TYR A CB +703 C CG . TYR A 108 ? 0.6123 0.8153 0.4165 0.3622 -0.2025 -0.2491 989 TYR A CG +704 C CD1 . TYR A 108 ? 0.6469 0.8829 0.4369 0.3945 -0.2076 -0.2638 989 TYR A CD1 +705 C CD2 . TYR A 108 ? 0.6262 0.7866 0.4351 0.3350 -0.2082 -0.2436 989 TYR A CD2 +706 C CE1 . TYR A 108 ? 0.6774 0.9009 0.4577 0.3998 -0.2187 -0.2735 989 TYR A CE1 +707 C CE2 . TYR A 108 ? 0.6534 0.8022 0.4535 0.3390 -0.2195 -0.2528 989 TYR A CE2 +708 C CZ . TYR A 108 ? 0.7718 0.9505 0.5574 0.3715 -0.2249 -0.2680 989 TYR A CZ +709 O OH . TYR A 108 ? 0.8123 0.9798 0.5884 0.3759 -0.2366 -0.2777 989 TYR A OH +710 N N . LEU A 109 ? 0.6180 0.7057 0.4159 0.3199 -0.2179 -0.2331 990 LEU A N +711 C CA . LEU A 109 ? 0.6428 0.6690 0.4355 0.2936 -0.2314 -0.2277 990 LEU A CA +712 C C . LEU A 109 ? 0.7647 0.7273 0.5239 0.3070 -0.2605 -0.2397 990 LEU A C +713 O O . LEU A 109 ? 0.8119 0.7242 0.5551 0.2989 -0.2811 -0.2448 990 LEU A O +714 C CB . LEU A 109 ? 0.6048 0.6394 0.4249 0.2577 -0.2118 -0.2064 990 LEU A CB +715 C CG . LEU A 109 ? 0.6128 0.6924 0.4620 0.2400 -0.1882 -0.1942 990 LEU A CG +716 C CD1 . LEU A 109 ? 0.5815 0.6633 0.4526 0.2089 -0.1726 -0.1762 990 LEU A CD1 +717 C CD2 . LEU A 109 ? 0.6497 0.7183 0.4970 0.2346 -0.1961 -0.1984 990 LEU A CD2 +718 N N . PRO A 110 ? 0.7303 0.6928 0.4758 0.3296 -0.2653 -0.2458 991 PRO A N +719 C CA . PRO A 110 ? 0.7920 0.6884 0.5017 0.3452 -0.2959 -0.2582 991 PRO A CA +720 C C . PRO A 110 ? 0.9083 0.7792 0.5867 0.3771 -0.3210 -0.2813 991 PRO A C +721 O O . PRO A 110 ? 0.9760 0.7777 0.6232 0.3823 -0.3503 -0.2907 991 PRO A O +722 C CB . PRO A 110 ? 0.8089 0.7266 0.5146 0.3662 -0.2912 -0.2597 991 PRO A CB +723 C CG . PRO A 110 ? 0.7896 0.7731 0.5327 0.3476 -0.2580 -0.2427 991 PRO A CG +724 C CD . PRO A 110 ? 0.7069 0.7270 0.4678 0.3405 -0.2447 -0.2409 991 PRO A CD +725 N N . ARG A 111 ? 0.8402 0.7663 0.5258 0.3981 -0.3102 -0.2900 992 ARG A N +726 C CA . ARG A 111 ? 0.8696 0.7890 0.5286 0.4327 -0.3295 -0.3131 992 ARG A CA +727 C C . ARG A 111 ? 0.9544 0.8348 0.6079 0.4149 -0.3434 -0.3158 992 ARG A C +728 O O . ARG A 111 ? 1.0032 0.8415 0.6241 0.4377 -0.3711 -0.3358 992 ARG A O +729 C CB . ARG A 111 ? 0.7986 0.8036 0.4719 0.4575 -0.3084 -0.3172 992 ARG A CB +730 C CG . ARG A 111 ? 0.8922 0.9071 0.5358 0.5048 -0.3262 -0.3432 992 ARG A CG +731 C CD . ARG A 111 ? 0.8357 0.9418 0.4977 0.5214 -0.3027 -0.3425 992 ARG A CD +732 N NE . ARG A 111 ? 0.7983 0.9629 0.4765 0.5274 -0.2825 -0.3332 992 ARG A NE +733 C CZ . ARG A 111 ? 0.8527 1.0808 0.5652 0.5060 -0.2526 -0.3135 992 ARG A CZ +734 N NH1 . ARG A 111 ? 0.7240 0.9646 0.4579 0.4790 -0.2387 -0.3010 992 ARG A NH1 +735 N NH2 . ARG A 111 ? 0.6074 0.8857 0.3318 0.5115 -0.2375 -0.3062 992 ARG A NH2 +736 N N . HIS A 112 ? 0.8768 0.7722 0.5607 0.3758 -0.3252 -0.2968 993 HIS A N +737 C CA . HIS A 112 ? 0.8854 0.7551 0.5685 0.3570 -0.3354 -0.2977 993 HIS A CA +738 C C . HIS A 112 ? 0.9447 0.7710 0.6377 0.3121 -0.3390 -0.2803 993 HIS A C +739 O O . HIS A 112 ? 0.9159 0.7502 0.6275 0.2902 -0.3236 -0.2630 993 HIS A O +740 C CB . HIS A 112 ? 0.8396 0.7764 0.5486 0.3560 -0.3117 -0.2933 993 HIS A CB +741 C CG . HIS A 112 ? 0.8736 0.8609 0.5743 0.3970 -0.3073 -0.3083 993 HIS A CG +742 N ND1 . HIS A 112 ? 0.9325 0.9100 0.6079 0.4254 -0.3270 -0.3298 993 HIS A ND1 +743 C CD2 . HIS A 112 ? 0.8546 0.9046 0.5693 0.4123 -0.2857 -0.3039 993 HIS A CD2 +744 C CE1 . HIS A 112 ? 0.9098 0.9471 0.5844 0.4585 -0.3161 -0.3378 993 HIS A CE1 +745 N NE2 . HIS A 112 ? 0.8670 0.9502 0.5654 0.4506 -0.2913 -0.3220 993 HIS A NE2 +746 N N . SER A 113 ? 0.9366 0.7217 0.6177 0.2981 -0.3590 -0.2848 994 SER A N +747 C CA . SER A 113 ? 0.9412 0.6927 0.6318 0.2541 -0.3637 -0.2684 994 SER A CA +748 C C . SER A 113 ? 0.9420 0.7529 0.6702 0.2328 -0.3354 -0.2544 994 SER A C +749 O O . SER A 113 ? 0.9464 0.7732 0.6762 0.2370 -0.3373 -0.2617 994 SER A O +750 C CB . SER A 113 ? 1.0567 0.7429 0.7172 0.2496 -0.3987 -0.2803 994 SER A CB +751 O OG . SER A 113 ? 1.2497 0.8658 0.8851 0.2384 -0.4235 -0.2779 994 SER A OG +752 N N . ILE A 114 ? 0.8398 0.6844 0.5963 0.2133 -0.3097 -0.2355 995 ILE A N +753 C CA . ILE A 114 ? 0.7774 0.6761 0.5684 0.1946 -0.2824 -0.2214 995 ILE A CA +754 C C . ILE A 114 ? 0.8143 0.6979 0.6202 0.1533 -0.2809 -0.2036 995 ILE A C +755 O O . ILE A 114 ? 0.8209 0.6770 0.6233 0.1378 -0.2850 -0.1945 995 ILE A O +756 C CB . ILE A 114 ? 0.7624 0.7171 0.5742 0.2063 -0.2536 -0.2145 995 ILE A CB +757 C CG1 . ILE A 114 ? 0.7735 0.7485 0.5696 0.2471 -0.2556 -0.2308 995 ILE A CG1 +758 C CG2 . ILE A 114 ? 0.7046 0.7099 0.5482 0.1898 -0.2279 -0.2011 995 ILE A CG2 +759 C CD1 . ILE A 114 ? 0.8212 0.8324 0.6169 0.2679 -0.2526 -0.2413 995 ILE A CD1 +760 N N . GLY A 115 ? 0.7446 0.6497 0.5663 0.1372 -0.2752 -0.1989 996 GLY A N +761 C CA . GLY A 115 ? 0.7210 0.6255 0.5595 0.0996 -0.2721 -0.1825 996 GLY A CA +762 C C . GLY A 115 ? 0.6892 0.6422 0.5587 0.0879 -0.2417 -0.1666 996 GLY A C +763 O O . GLY A 115 ? 0.6387 0.6299 0.5193 0.1066 -0.2224 -0.1679 996 GLY A O +764 N N . LEU A 116 ? 0.6350 0.5865 0.5172 0.0563 -0.2386 -0.1512 997 LEU A N +765 C CA . LEU A 116 ? 0.5876 0.5789 0.4969 0.0416 -0.2133 -0.1359 997 LEU A CA +766 C C . LEU A 116 ? 0.5698 0.6123 0.5000 0.0516 -0.1919 -0.1355 997 LEU A C +767 O O . LEU A 116 ? 0.5321 0.6026 0.4756 0.0592 -0.1715 -0.1306 997 LEU A O +768 C CB . LEU A 116 ? 0.6022 0.5855 0.5182 0.0062 -0.2192 -0.1221 997 LEU A CB +769 C CG . LEU A 116 ? 0.6314 0.6494 0.5712 -0.0123 -0.1980 -0.1060 997 LEU A CG +770 C CD1 . LEU A 116 ? 0.6032 0.6259 0.5455 -0.0005 -0.1835 -0.1037 997 LEU A CD1 +771 C CD2 . LEU A 116 ? 0.7050 0.7078 0.6435 -0.0454 -0.2097 -0.0935 997 LEU A CD2 +772 N N . ALA A 117 ? 0.5165 0.5687 0.4478 0.0518 -0.1979 -0.1406 998 ALA A N +773 C CA . ALA A 117 ? 0.4749 0.5717 0.4228 0.0617 -0.1809 -0.1403 998 ALA A CA +774 C C . ALA A 117 ? 0.4869 0.6017 0.4320 0.0908 -0.1698 -0.1471 998 ALA A C +775 O O . ALA A 117 ? 0.4360 0.5852 0.3975 0.0944 -0.1491 -0.1398 998 ALA A O +776 C CB . ALA A 117 ? 0.4999 0.5979 0.4444 0.0586 -0.1938 -0.1465 998 ALA A CB +777 N N . GLN A 118 ? 0.4711 0.5629 0.3943 0.1113 -0.1846 -0.1608 999 GLN A N +778 C CA . GLN A 118 ? 0.4618 0.5745 0.3801 0.1395 -0.1764 -0.1678 999 GLN A CA +779 C C . GLN A 118 ? 0.4811 0.6056 0.4084 0.1393 -0.1602 -0.1590 999 GLN A C +780 O O . GLN A 118 ? 0.4506 0.6107 0.3878 0.1503 -0.1431 -0.1555 999 GLN A O +781 C CB . GLN A 118 ? 0.5235 0.6091 0.4140 0.1630 -0.1985 -0.1861 999 GLN A CB +782 C CG . GLN A 118 ? 0.6761 0.7911 0.5600 0.1947 -0.1915 -0.1947 999 GLN A CG +783 C CD . GLN A 118 ? 0.8548 1.0159 0.7509 0.2029 -0.1771 -0.1924 999 GLN A CD +784 O OE1 . GLN A 118 ? 0.7564 0.9535 0.6706 0.1998 -0.1556 -0.1804 999 GLN A OE1 +785 N NE2 . GLN A 118 ? 0.8201 0.9791 0.7047 0.2138 -0.1901 -0.2039 999 GLN A NE2 +786 N N . LEU A 119 ? 0.4330 0.5287 0.3573 0.1247 -0.1657 -0.1542 1000 LEU A N +787 C CA . LEU A 119 ? 0.4023 0.5076 0.3352 0.1219 -0.1514 -0.1456 1000 LEU A CA +788 C C . LEU A 119 ? 0.4019 0.5420 0.3596 0.1083 -0.1289 -0.1323 1000 LEU A C +789 O O . LEU A 119 ? 0.3718 0.5370 0.3381 0.1153 -0.1133 -0.1280 1000 LEU A O +790 C CB . LEU A 119 ? 0.4190 0.4862 0.3433 0.1066 -0.1626 -0.1419 1000 LEU A CB +791 C CG . LEU A 119 ? 0.5132 0.5360 0.4095 0.1191 -0.1873 -0.1540 1000 LEU A CG +792 C CD1 . LEU A 119 ? 0.5325 0.5173 0.4218 0.0980 -0.1981 -0.1462 1000 LEU A CD1 +793 C CD2 . LEU A 119 ? 0.5349 0.5677 0.4205 0.1485 -0.1857 -0.1635 1000 LEU A CD2 +794 N N . LEU A 120 ? 0.3531 0.4953 0.3212 0.0896 -0.1285 -0.1262 1001 LEU A N +795 C CA . LEU A 120 ? 0.3298 0.5024 0.3189 0.0791 -0.1096 -0.1152 1001 LEU A CA +796 C C . LEU A 120 ? 0.3653 0.5688 0.3604 0.0943 -0.0985 -0.1161 1001 LEU A C +797 O O . LEU A 120 ? 0.3464 0.5716 0.3540 0.0931 -0.0821 -0.1080 1001 LEU A O +798 C CB . LEU A 120 ? 0.3335 0.5054 0.3312 0.0571 -0.1129 -0.1090 1001 LEU A CB +799 C CG . LEU A 120 ? 0.4022 0.5515 0.3975 0.0370 -0.1201 -0.1030 1001 LEU A CG +800 C CD1 . LEU A 120 ? 0.4200 0.5676 0.4184 0.0162 -0.1299 -0.0990 1001 LEU A CD1 +801 C CD2 . LEU A 120 ? 0.3924 0.5557 0.3997 0.0306 -0.1034 -0.0936 1001 LEU A CD2 +802 N N . LEU A 121 ? 0.3338 0.5373 0.3181 0.1089 -0.1087 -0.1260 1002 LEU A N +803 C CA . LEU A 121 ? 0.3207 0.5536 0.3071 0.1251 -0.1004 -0.1272 1002 LEU A CA +804 C C . LEU A 121 ? 0.3645 0.6127 0.3491 0.1384 -0.0905 -0.1258 1002 LEU A C +805 O O . LEU A 121 ? 0.3478 0.6228 0.3418 0.1406 -0.0760 -0.1178 1002 LEU A O +806 C CB . LEU A 121 ? 0.3439 0.5720 0.3162 0.1385 -0.1160 -0.1399 1002 LEU A CB +807 C CG . LEU A 121 ? 0.3904 0.6512 0.3647 0.1536 -0.1089 -0.1405 1002 LEU A CG +808 C CD1 . LEU A 121 ? 0.3682 0.6491 0.3599 0.1418 -0.0960 -0.1291 1002 LEU A CD1 +809 C CD2 . LEU A 121 ? 0.4178 0.6712 0.3763 0.1671 -0.1263 -0.1548 1002 LEU A CD2 +810 N N . PHE A 122 ? 0.3323 0.5637 0.3044 0.1464 -0.0991 -0.1327 1003 PHE A N +811 C CA . PHE A 122 ? 0.3216 0.5715 0.2927 0.1578 -0.0903 -0.1311 1003 PHE A CA +812 C C . PHE A 122 ? 0.3493 0.6091 0.3370 0.1415 -0.0736 -0.1172 1003 PHE A C +813 O O . PHE A 122 ? 0.3314 0.6189 0.3260 0.1445 -0.0607 -0.1101 1003 PHE A O +814 C CB . PHE A 122 ? 0.3664 0.5938 0.3211 0.1684 -0.1035 -0.1409 1003 PHE A CB +815 C CG . PHE A 122 ? 0.4152 0.6303 0.3488 0.1900 -0.1220 -0.1571 1003 PHE A CG +816 C CD1 . PHE A 122 ? 0.4591 0.7015 0.3886 0.2076 -0.1216 -0.1630 1003 PHE A CD1 +817 C CD2 . PHE A 122 ? 0.4637 0.6391 0.3792 0.1944 -0.1407 -0.1668 1003 PHE A CD2 +818 C CE1 . PHE A 122 ? 0.4969 0.7280 0.4049 0.2300 -0.1397 -0.1799 1003 PHE A CE1 +819 C CE2 . PHE A 122 ? 0.5316 0.6907 0.4242 0.2167 -0.1601 -0.1836 1003 PHE A CE2 +820 C CZ . PHE A 122 ? 0.5122 0.7004 0.4013 0.2353 -0.1593 -0.1908 1003 PHE A CZ +821 N N . ALA A 123 ? 0.2954 0.5327 0.2885 0.1234 -0.0746 -0.1129 1004 ALA A N +822 C CA . ALA A 123 ? 0.2743 0.5169 0.2811 0.1084 -0.0609 -0.1017 1004 ALA A CA +823 C C . ALA A 123 ? 0.2926 0.5567 0.3115 0.1048 -0.0484 -0.0937 1004 ALA A C +824 O O . ALA A 123 ? 0.2694 0.5466 0.2950 0.1023 -0.0365 -0.0860 1004 ALA A O +825 C CB . ALA A 123 ? 0.2972 0.5159 0.3058 0.0913 -0.0662 -0.0996 1004 ALA A CB +826 N N . GLN A 124 ? 0.2581 0.5245 0.2781 0.1051 -0.0524 -0.0956 1005 GLN A N +827 C CA . GLN A 124 ? 0.2451 0.5300 0.2738 0.1048 -0.0431 -0.0891 1005 GLN A CA +828 C C . GLN A 124 ? 0.3003 0.6073 0.3268 0.1169 -0.0357 -0.0855 1005 GLN A C +829 O O . GLN A 124 ? 0.2965 0.6131 0.3294 0.1130 -0.0249 -0.0760 1005 GLN A O +830 C CB . GLN A 124 ? 0.2654 0.5504 0.2933 0.1054 -0.0518 -0.0940 1005 GLN A CB +831 C CG . GLN A 124 ? 0.4112 0.7146 0.4470 0.1066 -0.0440 -0.0880 1005 GLN A CG +832 C CD . GLN A 124 ? 0.5568 0.8662 0.5888 0.1127 -0.0535 -0.0945 1005 GLN A CD +833 O OE1 . GLN A 124 ? 0.4663 0.7632 0.4956 0.1062 -0.0655 -0.1008 1005 GLN A OE1 +834 N NE2 . GLN A 124 ? 0.4216 0.7500 0.4527 0.1239 -0.0492 -0.0923 1005 GLN A NE2 +835 N N . GLN A 125 ? 0.2643 0.5791 0.2802 0.1314 -0.0425 -0.0930 1006 GLN A N +836 C CA . GLN A 125 ? 0.2537 0.5963 0.2663 0.1432 -0.0366 -0.0896 1006 GLN A CA +837 C C . GLN A 125 ? 0.3127 0.6640 0.3289 0.1379 -0.0273 -0.0816 1006 GLN A C +838 O O . GLN A 125 ? 0.3108 0.6829 0.3301 0.1366 -0.0182 -0.0713 1006 GLN A O +839 C CB . GLN A 125 ? 0.2732 0.6243 0.2722 0.1622 -0.0475 -0.1018 1006 GLN A CB +840 C CG . GLN A 125 ? 0.2583 0.6074 0.2530 0.1685 -0.0561 -0.1087 1006 GLN A CG +841 C CD . GLN A 125 ? 0.4835 0.8339 0.4619 0.1882 -0.0699 -0.1237 1006 GLN A CD +842 O OE1 . GLN A 125 ? 0.4041 0.7652 0.3739 0.2015 -0.0719 -0.1287 1006 GLN A OE1 +843 N NE2 . GLN A 125 ? 0.4946 0.8358 0.4676 0.1918 -0.0807 -0.1319 1006 GLN A NE2 +844 N N . ILE A 126 ? 0.2720 0.6065 0.2874 0.1332 -0.0303 -0.0852 1007 ILE A N +845 C CA . ILE A 126 ? 0.2574 0.5987 0.2768 0.1264 -0.0225 -0.0784 1007 ILE A CA +846 C C . ILE A 126 ? 0.3148 0.6523 0.3446 0.1110 -0.0120 -0.0664 1007 ILE A C +847 O O . ILE A 126 ? 0.3218 0.6756 0.3540 0.1072 -0.0042 -0.0569 1007 ILE A O +848 C CB . ILE A 126 ? 0.2930 0.6140 0.3086 0.1248 -0.0291 -0.0851 1007 ILE A CB +849 C CG1 . ILE A 126 ? 0.3030 0.6280 0.3047 0.1439 -0.0405 -0.0972 1007 ILE A CG1 +850 C CG2 . ILE A 126 ? 0.2900 0.6154 0.3116 0.1144 -0.0206 -0.0775 1007 ILE A CG2 +851 C CD1 . ILE A 126 ? 0.3176 0.6095 0.3105 0.1444 -0.0532 -0.1062 1007 ILE A CD1 +852 N N . CYS A 127 ? 0.2629 0.5803 0.2975 0.1028 -0.0129 -0.0670 1008 CYS A N +853 C CA . CYS A 127 ? 0.2507 0.5618 0.2928 0.0922 -0.0051 -0.0586 1008 CYS A CA +854 C C . CYS A 127 ? 0.2811 0.6059 0.3230 0.0953 0.0001 -0.0502 1008 CYS A C +855 O O . CYS A 127 ? 0.2690 0.5906 0.3129 0.0878 0.0064 -0.0413 1008 CYS A O +856 C CB . CYS A 127 ? 0.2590 0.5547 0.3052 0.0866 -0.0083 -0.0622 1008 CYS A CB +857 S SG . CYS A 127 ? 0.3097 0.5873 0.3573 0.0760 -0.0112 -0.0658 1008 CYS A SG +858 N N . GLU A 128 ? 0.2295 0.5674 0.2673 0.1061 -0.0037 -0.0530 1009 GLU A N +859 C CA . GLU A 128 ? 0.2218 0.5748 0.2576 0.1104 0.0000 -0.0447 1009 GLU A CA +860 C C . GLU A 128 ? 0.2736 0.6451 0.3067 0.1084 0.0053 -0.0352 1009 GLU A C +861 O O . GLU A 128 ? 0.2748 0.6458 0.3078 0.1012 0.0105 -0.0230 1009 GLU A O +862 C CB . GLU A 128 ? 0.2374 0.6033 0.2686 0.1236 -0.0063 -0.0515 1009 GLU A CB +863 C CG . GLU A 128 ? 0.3246 0.6784 0.3592 0.1234 -0.0108 -0.0570 1009 GLU A CG +864 C CD . GLU A 128 ? 0.5307 0.8931 0.5601 0.1346 -0.0199 -0.0667 1009 GLU A CD +865 O OE1 . GLU A 128 ? 0.4782 0.8592 0.5001 0.1460 -0.0216 -0.0682 1009 GLU A OE1 +866 O OE2 . GLU A 128 ? 0.4648 0.8171 0.4971 0.1318 -0.0260 -0.0729 1009 GLU A OE2 +867 N N . GLY A 129 ? 0.2258 0.6130 0.2557 0.1143 0.0029 -0.0405 1010 GLY A N +868 C CA . GLY A 129 ? 0.2151 0.6280 0.2433 0.1121 0.0075 -0.0320 1010 GLY A CA +869 C C . GLY A 129 ? 0.2630 0.6632 0.2960 0.0952 0.0127 -0.0233 1010 GLY A C +870 O O . GLY A 129 ? 0.2738 0.6862 0.3062 0.0860 0.0174 -0.0099 1010 GLY A O +871 N N . MET A 130 ? 0.1995 0.5743 0.2362 0.0900 0.0111 -0.0303 1011 MET A N +872 C CA . MET A 130 ? 0.1912 0.5510 0.2316 0.0753 0.0150 -0.0248 1011 MET A CA +873 C C . MET A 130 ? 0.2457 0.5857 0.2866 0.0661 0.0181 -0.0160 1011 MET A C +874 O O . MET A 130 ? 0.2542 0.5898 0.2943 0.0541 0.0208 -0.0067 1011 MET A O +875 C CB . MET A 130 ? 0.2078 0.5490 0.2507 0.0741 0.0120 -0.0349 1011 MET A CB +876 C CG . MET A 130 ? 0.2408 0.5970 0.2808 0.0817 0.0082 -0.0421 1011 MET A CG +877 S SD . MET A 130 ? 0.2822 0.6706 0.3224 0.0770 0.0126 -0.0337 1011 MET A SD +878 C CE . MET A 130 ? 0.2272 0.5927 0.2725 0.0576 0.0167 -0.0276 1011 MET A CE +879 N N . ALA A 131 ? 0.2020 0.5298 0.2429 0.0721 0.0165 -0.0191 1012 ALA A N +880 C CA . ALA A 131 ? 0.2134 0.5226 0.2525 0.0684 0.0179 -0.0122 1012 ALA A CA +881 C C . ALA A 131 ? 0.2932 0.6122 0.3261 0.0644 0.0196 0.0021 1012 ALA A C +882 O O . ALA A 131 ? 0.3180 0.6184 0.3467 0.0547 0.0201 0.0112 1012 ALA A O +883 C CB . ALA A 131 ? 0.2144 0.5187 0.2548 0.0782 0.0155 -0.0186 1012 ALA A CB +884 N N . TYR A 132 ? 0.2401 0.5882 0.2711 0.0715 0.0195 0.0044 1013 TYR A N +885 C CA . TYR A 132 ? 0.2435 0.6092 0.2685 0.0669 0.0211 0.0197 1013 TYR A CA +886 C C . TYR A 132 ? 0.3014 0.6738 0.3263 0.0510 0.0232 0.0293 1013 TYR A C +887 O O . TYR A 132 ? 0.3312 0.6948 0.3505 0.0383 0.0232 0.0440 1013 TYR A O +888 C CB . TYR A 132 ? 0.2480 0.6499 0.2709 0.0799 0.0207 0.0182 1013 TYR A CB +889 C CG . TYR A 132 ? 0.2842 0.7152 0.3018 0.0733 0.0232 0.0350 1013 TYR A CG +890 C CD1 . TYR A 132 ? 0.3207 0.7455 0.3313 0.0694 0.0231 0.0492 1013 TYR A CD1 +891 C CD2 . TYR A 132 ? 0.2861 0.7518 0.3050 0.0699 0.0253 0.0379 1013 TYR A CD2 +892 C CE1 . TYR A 132 ? 0.3360 0.7875 0.3408 0.0598 0.0249 0.0675 1013 TYR A CE1 +893 C CE2 . TYR A 132 ? 0.3036 0.8015 0.3183 0.0609 0.0279 0.0554 1013 TYR A CE2 +894 C CZ . TYR A 132 ? 0.4007 0.8909 0.4083 0.0546 0.0276 0.0710 1013 TYR A CZ +895 O OH . TYR A 132 ? 0.4532 0.9765 0.4558 0.0432 0.0295 0.0905 1013 TYR A OH +896 N N . LEU A 133 ? 0.2434 0.6309 0.2735 0.0513 0.0239 0.0214 1014 LEU A N +897 C CA . LEU A 133 ? 0.2361 0.6354 0.2675 0.0369 0.0256 0.0288 1014 LEU A CA +898 C C . LEU A 133 ? 0.3080 0.6704 0.3377 0.0209 0.0248 0.0343 1014 LEU A C +899 O O . LEU A 133 ? 0.3208 0.6849 0.3468 0.0046 0.0245 0.0485 1014 LEU A O +900 C CB . LEU A 133 ? 0.2180 0.6343 0.2543 0.0440 0.0254 0.0163 1014 LEU A CB +901 C CG . LEU A 133 ? 0.2735 0.7150 0.3121 0.0322 0.0272 0.0230 1014 LEU A CG +902 C CD1 . LEU A 133 ? 0.2747 0.7638 0.3111 0.0318 0.0293 0.0346 1014 LEU A CD1 +903 C CD2 . LEU A 133 ? 0.2708 0.7167 0.3130 0.0400 0.0257 0.0092 1014 LEU A CD2 +904 N N . HIS A 134 ? 0.2739 0.6035 0.3052 0.0255 0.0234 0.0234 1015 HIS A N +905 C CA . HIS A 134 ? 0.2832 0.5761 0.3114 0.0152 0.0216 0.0249 1015 HIS A CA +906 C C . HIS A 134 ? 0.3522 0.6223 0.3704 0.0106 0.0188 0.0367 1015 HIS A C +907 O O . HIS A 134 ? 0.3649 0.6092 0.3764 -0.0025 0.0155 0.0435 1015 HIS A O +908 C CB . HIS A 134 ? 0.2780 0.5508 0.3105 0.0235 0.0213 0.0098 1015 HIS A CB +909 C CG . HIS A 134 ? 0.3065 0.5910 0.3454 0.0228 0.0224 0.0011 1015 HIS A CG +910 N ND1 . HIS A 134 ? 0.3253 0.5933 0.3673 0.0255 0.0220 -0.0097 1015 HIS A ND1 +911 C CD2 . HIS A 134 ? 0.3222 0.6341 0.3637 0.0200 0.0234 0.0025 1015 HIS A CD2 +912 C CE1 . HIS A 134 ? 0.3062 0.5881 0.3519 0.0240 0.0223 -0.0141 1015 HIS A CE1 +913 N NE2 . HIS A 134 ? 0.3083 0.6167 0.3538 0.0218 0.0230 -0.0078 1015 HIS A NE2 +914 N N . SER A 135 ? 0.3047 0.5834 0.3204 0.0214 0.0188 0.0394 1016 SER A N +915 C CA . SER A 135 ? 0.3270 0.5857 0.3317 0.0196 0.0153 0.0514 1016 SER A CA +916 C C . SER A 135 ? 0.3967 0.6651 0.3943 0.0014 0.0139 0.0710 1016 SER A C +917 O O . SER A 135 ? 0.4288 0.6679 0.4143 -0.0074 0.0085 0.0831 1016 SER A O +918 C CB . SER A 135 ? 0.3709 0.6421 0.3755 0.0363 0.0159 0.0488 1016 SER A CB +919 O OG . SER A 135 ? 0.4454 0.7554 0.4508 0.0371 0.0182 0.0563 1016 SER A OG +920 N N . GLN A 136 ? 0.3395 0.6500 0.3437 -0.0040 0.0177 0.0743 1017 GLN A N +921 C CA . GLN A 136 ? 0.3500 0.6841 0.3503 -0.0228 0.0174 0.0933 1017 GLN A CA +922 C C . GLN A 136 ? 0.4342 0.7576 0.4354 -0.0427 0.0153 0.0965 1017 GLN A C +923 O O . GLN A 136 ? 0.4410 0.7887 0.4408 -0.0613 0.0148 0.1119 1017 GLN A O +924 C CB . GLN A 136 ? 0.3397 0.7333 0.3466 -0.0150 0.0226 0.0939 1017 GLN A CB +925 C CG . GLN A 136 ? 0.3892 0.7980 0.3935 0.0029 0.0237 0.0927 1017 GLN A CG +926 C CD . GLN A 136 ? 0.5126 0.8963 0.5049 -0.0032 0.0198 0.1083 1017 GLN A CD +927 O OE1 . GLN A 136 ? 0.4765 0.8256 0.4648 0.0076 0.0171 0.1019 1017 GLN A OE1 +928 N NE2 . GLN A 136 ? 0.3866 0.7854 0.3719 -0.0216 0.0186 0.1298 1017 GLN A NE2 +929 N N . HIS A 137 ? 0.4031 0.6937 0.4066 -0.0391 0.0140 0.0820 1018 HIS A N +930 C CA . HIS A 137 ? 0.4046 0.6792 0.4085 -0.0546 0.0114 0.0807 1018 HIS A CA +931 C C . HIS A 137 ? 0.4076 0.7254 0.4223 -0.0600 0.0156 0.0784 1018 HIS A C +932 O O . HIS A 137 ? 0.4013 0.7232 0.4153 -0.0797 0.0131 0.0866 1018 HIS A O +933 C CB . HIS A 137 ? 0.4579 0.6941 0.4477 -0.0754 0.0029 0.0956 1018 HIS A CB +934 C CG . HIS A 137 ? 0.5310 0.7201 0.5080 -0.0662 -0.0028 0.0952 1018 HIS A CG +935 N ND1 . HIS A 137 ? 0.5938 0.7644 0.5563 -0.0767 -0.0093 0.1134 1018 HIS A ND1 +936 C CD2 . HIS A 137 ? 0.5496 0.7109 0.5259 -0.0469 -0.0030 0.0793 1018 HIS A CD2 +937 C CE1 . HIS A 137 ? 0.6022 0.7322 0.5552 -0.0613 -0.0137 0.1068 1018 HIS A CE1 +938 N NE2 . HIS A 137 ? 0.5785 0.7044 0.5400 -0.0431 -0.0097 0.0862 1018 HIS A NE2 +939 N N . TYR A 138 ? 0.3396 0.6874 0.3632 -0.0415 0.0207 0.0661 1019 TYR A N +940 C CA . TYR A 138 ? 0.3214 0.7092 0.3537 -0.0399 0.0239 0.0608 1019 TYR A CA +941 C C . TYR A 138 ? 0.3438 0.7197 0.3817 -0.0242 0.0248 0.0412 1019 TYR A C +942 O O . TYR A 138 ? 0.3432 0.6970 0.3805 -0.0105 0.0246 0.0317 1019 TYR A O +943 C CB . TYR A 138 ? 0.3378 0.7786 0.3724 -0.0305 0.0273 0.0652 1019 TYR A CB +944 C CG . TYR A 138 ? 0.3867 0.8518 0.4165 -0.0468 0.0270 0.0867 1019 TYR A CG +945 C CD1 . TYR A 138 ? 0.4203 0.9093 0.4512 -0.0693 0.0263 0.1002 1019 TYR A CD1 +946 C CD2 . TYR A 138 ? 0.4038 0.8731 0.4278 -0.0406 0.0273 0.0944 1019 TYR A CD2 +947 C CE1 . TYR A 138 ? 0.4464 0.9605 0.4724 -0.0875 0.0254 0.1224 1019 TYR A CE1 +948 C CE2 . TYR A 138 ? 0.4327 0.9261 0.4512 -0.0569 0.0269 0.1162 1019 TYR A CE2 +949 C CZ . TYR A 138 ? 0.5203 1.0366 0.5398 -0.0812 0.0258 0.1308 1019 TYR A CZ +950 O OH . TYR A 138 ? 0.5454 1.0875 0.5590 -0.1004 0.0247 0.1546 1019 TYR A OH +951 N N . ILE A 139 ? 0.2824 0.6761 0.3255 -0.0269 0.0255 0.0361 1020 ILE A N +952 C CA . ILE A 139 ? 0.2513 0.6392 0.2986 -0.0137 0.0256 0.0197 1020 ILE A CA +953 C C . ILE A 139 ? 0.2693 0.7030 0.3197 -0.0016 0.0266 0.0157 1020 ILE A C +954 O O . ILE A 139 ? 0.2676 0.7389 0.3192 -0.0095 0.0279 0.0257 1020 ILE A O +955 C CB . ILE A 139 ? 0.2894 0.6534 0.3376 -0.0249 0.0241 0.0158 1020 ILE A CB +956 C CG1 . ILE A 139 ? 0.3050 0.6855 0.3530 -0.0461 0.0231 0.0282 1020 ILE A CG1 +957 C CG2 . ILE A 139 ? 0.2975 0.6144 0.3415 -0.0255 0.0224 0.0119 1020 ILE A CG2 +958 C CD1 . ILE A 139 ? 0.3210 0.6951 0.3710 -0.0545 0.0216 0.0232 1020 ILE A CD1 +959 N N . HIS A 140 ? 0.2060 0.6375 0.2566 0.0177 0.0251 0.0016 1021 HIS A N +960 C CA . HIS A 140 ? 0.1951 0.6640 0.2451 0.0341 0.0238 -0.0051 1021 HIS A CA +961 C C . HIS A 140 ? 0.2697 0.7510 0.3218 0.0336 0.0225 -0.0102 1021 HIS A C +962 O O . HIS A 140 ? 0.2861 0.8114 0.3390 0.0366 0.0231 -0.0073 1021 HIS A O +963 C CB . HIS A 140 ? 0.1940 0.6501 0.2401 0.0547 0.0199 -0.0180 1021 HIS A CB +964 C CG . HIS A 140 ? 0.2288 0.7216 0.2706 0.0746 0.0169 -0.0248 1021 HIS A CG +965 N ND1 . HIS A 140 ? 0.2449 0.7424 0.2835 0.0875 0.0120 -0.0363 1021 HIS A ND1 +966 C CD2 . HIS A 140 ? 0.2495 0.7744 0.2880 0.0851 0.0174 -0.0223 1021 HIS A CD2 +967 C CE1 . HIS A 140 ? 0.2399 0.7708 0.2726 0.1070 0.0091 -0.0416 1021 HIS A CE1 +968 N NE2 . HIS A 140 ? 0.2452 0.7960 0.2781 0.1061 0.0126 -0.0336 1021 HIS A NE2 +969 N N . ARG A 141 ? 0.2183 0.6647 0.2708 0.0311 0.0207 -0.0176 1022 ARG A N +970 C CA . ARG A 141 ? 0.2096 0.6606 0.2631 0.0307 0.0189 -0.0230 1022 ARG A CA +971 C C . ARG A 141 ? 0.2400 0.7120 0.2891 0.0525 0.0141 -0.0338 1022 ARG A C +972 O O . ARG A 141 ? 0.2090 0.6913 0.2579 0.0541 0.0123 -0.0374 1022 ARG A O +973 C CB . ARG A 141 ? 0.2234 0.6963 0.2812 0.0118 0.0215 -0.0125 1022 ARG A CB +974 C CG . ARG A 141 ? 0.3215 0.7689 0.3803 -0.0099 0.0234 -0.0022 1022 ARG A CG +975 C CD . ARG A 141 ? 0.4367 0.9131 0.4982 -0.0292 0.0241 0.0101 1022 ARG A CD +976 N NE . ARG A 141 ? 0.6017 1.0850 0.6657 -0.0342 0.0226 0.0058 1022 ARG A NE +977 C CZ . ARG A 141 ? 0.7837 1.3113 0.8515 -0.0413 0.0227 0.0114 1022 ARG A CZ +978 N NH1 . ARG A 141 ? 0.5874 1.1597 0.6572 -0.0446 0.0245 0.0222 1022 ARG A NH1 +979 N NH2 . ARG A 141 ? 0.6617 1.1931 0.7314 -0.0452 0.0209 0.0068 1022 ARG A NH2 +980 N N . ASN A 142 ? 0.2103 0.6862 0.2541 0.0704 0.0110 -0.0400 1023 ASN A N +981 C CA . ASN A 142 ? 0.2151 0.7050 0.2508 0.0942 0.0039 -0.0520 1023 ASN A CA +982 C C . ASN A 142 ? 0.2547 0.7180 0.2829 0.1088 -0.0023 -0.0613 1023 ASN A C +983 O O . ASN A 142 ? 0.2606 0.7404 0.2803 0.1301 -0.0083 -0.0697 1023 ASN A O +984 C CB . ASN A 142 ? 0.2328 0.7821 0.2683 0.1035 0.0056 -0.0489 1023 ASN A CB +985 C CG . ASN A 142 ? 0.5294 1.0997 0.5559 0.1289 -0.0020 -0.0616 1023 ASN A CG +986 O OD1 . ASN A 142 ? 0.4472 0.9887 0.4679 0.1360 -0.0086 -0.0708 1023 ASN A OD1 +987 N ND2 . ASN A 142 ? 0.4757 1.0980 0.4995 0.1440 -0.0017 -0.0620 1023 ASN A ND2 +988 N N . LEU A 143 ? 0.2011 0.6245 0.2318 0.0977 -0.0015 -0.0601 1024 LEU A N +989 C CA . LEU A 143 ? 0.1936 0.5911 0.2188 0.1068 -0.0075 -0.0674 1024 LEU A CA +990 C C . LEU A 143 ? 0.2682 0.6376 0.2841 0.1167 -0.0181 -0.0786 1024 LEU A C +991 O O . LEU A 143 ? 0.2621 0.6025 0.2796 0.1058 -0.0190 -0.0782 1024 LEU A O +992 C CB . LEU A 143 ? 0.1797 0.5541 0.2115 0.0920 -0.0026 -0.0609 1024 LEU A CB +993 C CG . LEU A 143 ? 0.2340 0.5879 0.2619 0.0993 -0.0082 -0.0670 1024 LEU A CG +994 C CD1 . LEU A 143 ? 0.2321 0.6116 0.2555 0.1135 -0.0096 -0.0685 1024 LEU A CD1 +995 C CD2 . LEU A 143 ? 0.2535 0.5861 0.2882 0.0852 -0.0035 -0.0614 1024 LEU A CD2 +996 N N . ALA A 144 ? 0.2721 0.6512 0.2767 0.1383 -0.0271 -0.0885 1025 ALA A N +997 C CA . ALA A 144 ? 0.2901 0.6417 0.2807 0.1521 -0.0408 -0.1002 1025 ALA A CA +998 C C . ALA A 144 ? 0.3465 0.6989 0.3252 0.1725 -0.0504 -0.1103 1025 ALA A C +999 O O . ALA A 144 ? 0.3335 0.7211 0.3147 0.1799 -0.0453 -0.1088 1025 ALA A O +1000 C CB . ALA A 144 ? 0.3016 0.6718 0.2874 0.1624 -0.0432 -0.1034 1025 ALA A CB +1001 N N . ALA A 145 ? 0.3349 0.6487 0.2996 0.1812 -0.0652 -0.1204 1026 ALA A N +1002 C CA . ALA A 145 ? 0.3525 0.6582 0.3025 0.2010 -0.0778 -0.1323 1026 ALA A CA +1003 C C . ALA A 145 ? 0.4048 0.7510 0.3455 0.2285 -0.0804 -0.1409 1026 ALA A C +1004 O O . ALA A 145 ? 0.3949 0.7541 0.3299 0.2419 -0.0836 -0.1468 1026 ALA A O +1005 C CB . ALA A 145 ? 0.3936 0.6468 0.3273 0.2039 -0.0958 -0.1410 1026 ALA A CB +1006 N N . ARG A 146 ? 0.3775 0.7479 0.3166 0.2375 -0.0788 -0.1416 1027 ARG A N +1007 C CA . ARG A 146 ? 0.3879 0.8060 0.3187 0.2647 -0.0806 -0.1494 1027 ARG A CA +1008 C C . ARG A 146 ? 0.3816 0.8572 0.3266 0.2596 -0.0652 -0.1391 1027 ARG A C +1009 O O . ARG A 146 ? 0.3695 0.8866 0.3070 0.2824 -0.0671 -0.1456 1027 ARG A O +1010 C CB . ARG A 146 ? 0.4605 0.8904 0.3853 0.2764 -0.0843 -0.1532 1027 ARG A CB +1011 C CG . ARG A 146 ? 0.6184 1.0859 0.5621 0.2573 -0.0683 -0.1389 1027 ARG A CG +1012 C CD . ARG A 146 ? 0.7246 1.2597 0.6677 0.2767 -0.0647 -0.1409 1027 ARG A CD +1013 N NE . ARG A 146 ? 0.8569 1.4143 0.8069 0.2703 -0.0599 -0.1355 1027 ARG A NE +1014 C CZ . ARG A 146 ? 0.9549 1.5574 0.9228 0.2507 -0.0455 -0.1212 1027 ARG A CZ +1015 N NH1 . ARG A 146 ? 0.8075 1.4280 0.7802 0.2456 -0.0431 -0.1178 1027 ARG A NH1 +1016 N NH2 . ARG A 146 ? 0.5773 1.2057 0.5571 0.2353 -0.0345 -0.1097 1027 ARG A NH2 +1017 N N . ASN A 147 ? 0.3052 0.7816 0.2688 0.2302 -0.0512 -0.1230 1028 ASN A N +1018 C CA . ASN A 147 ? 0.2728 0.7941 0.2494 0.2193 -0.0373 -0.1097 1028 ASN A CA +1019 C C . ASN A 147 ? 0.3320 0.8435 0.3096 0.2163 -0.0362 -0.1079 1028 ASN A C +1020 O O . ASN A 147 ? 0.3154 0.8608 0.3011 0.2084 -0.0262 -0.0965 1028 ASN A O +1021 C CB . ASN A 147 ? 0.1854 0.7125 0.1783 0.1915 -0.0250 -0.0940 1028 ASN A CB +1022 C CG . ASN A 147 ? 0.3585 0.9054 0.3509 0.1955 -0.0257 -0.0955 1028 ASN A CG +1023 O OD1 . ASN A 147 ? 0.3048 0.8966 0.2917 0.2148 -0.0277 -0.1003 1028 ASN A OD1 +1024 N ND2 . ASN A 147 ? 0.2553 0.7708 0.2524 0.1798 -0.0250 -0.0927 1028 ASN A ND2 +1025 N N . VAL A 148 ? 0.3038 0.7696 0.2720 0.2221 -0.0474 -0.1185 1029 VAL A N +1026 C CA . VAL A 148 ? 0.3063 0.7610 0.2741 0.2210 -0.0486 -0.1189 1029 VAL A CA +1027 C C . VAL A 148 ? 0.3906 0.8511 0.3398 0.2509 -0.0622 -0.1358 1029 VAL A C +1028 O O . VAL A 148 ? 0.4050 0.8349 0.3393 0.2652 -0.0770 -0.1498 1029 VAL A O +1029 C CB . VAL A 148 ? 0.3504 0.7539 0.3235 0.2013 -0.0504 -0.1165 1029 VAL A CB +1030 C CG1 . VAL A 148 ? 0.3441 0.7441 0.3180 0.2006 -0.0509 -0.1162 1029 VAL A CG1 +1031 C CG2 . VAL A 148 ? 0.3293 0.7277 0.3182 0.1757 -0.0381 -0.1022 1029 VAL A CG2 +1032 N N . LEU A 149 ? 0.3546 0.8537 0.3032 0.2608 -0.0581 -0.1344 1030 LEU A N +1033 C CA . LEU A 149 ? 0.3827 0.8950 0.3132 0.2912 -0.0702 -0.1507 1030 LEU A CA +1034 C C . LEU A 149 ? 0.4526 0.9418 0.3795 0.2906 -0.0758 -0.1548 1030 LEU A C +1035 O O . LEU A 149 ? 0.4203 0.8961 0.3610 0.2673 -0.0673 -0.1425 1030 LEU A O +1036 C CB . LEU A 149 ? 0.3797 0.9631 0.3101 0.3065 -0.0621 -0.1472 1030 LEU A CB +1037 C CG . LEU A 149 ? 0.4314 1.0504 0.3683 0.3043 -0.0546 -0.1404 1030 LEU A CG +1038 C CD1 . LEU A 149 ? 0.4188 1.1067 0.3661 0.2988 -0.0401 -0.1249 1030 LEU A CD1 +1039 C CD2 . LEU A 149 ? 0.4717 1.0926 0.3906 0.3350 -0.0684 -0.1592 1030 LEU A CD2 +1040 N N . LEU A 150 ? 0.4393 0.9228 0.3465 0.3173 -0.0914 -0.1732 1031 LEU A N +1041 C CA . LEU A 150 ? 0.4531 0.9164 0.3546 0.3192 -0.0992 -0.1794 1031 LEU A CA +1042 C C . LEU A 150 ? 0.5165 1.0252 0.4064 0.3463 -0.1016 -0.1880 1031 LEU A C +1043 O O . LEU A 150 ? 0.5231 1.0485 0.3958 0.3752 -0.1114 -0.2030 1031 LEU A O +1044 C CB . LEU A 150 ? 0.4856 0.8860 0.3712 0.3232 -0.1204 -0.1953 1031 LEU A CB +1045 C CG . LEU A 150 ? 0.5402 0.8907 0.4333 0.2977 -0.1220 -0.1889 1031 LEU A CG +1046 C CD1 . LEU A 150 ? 0.5766 0.8703 0.4494 0.3043 -0.1457 -0.2046 1031 LEU A CD1 +1047 C CD2 . LEU A 150 ? 0.5331 0.8790 0.4475 0.2675 -0.1087 -0.1724 1031 LEU A CD2 +1048 N N . ASP A 151 ? 0.4594 0.9880 0.3568 0.3392 -0.0938 -0.1796 1032 ASP A N +1049 C CA . ASP A 151 ? 0.4665 1.0386 0.3520 0.3645 -0.0963 -0.1874 1032 ASP A CA +1050 C C . ASP A 151 ? 0.5569 1.0885 0.4220 0.3827 -0.1182 -0.2098 1032 ASP A C +1051 O O . ASP A 151 ? 0.5693 1.0422 0.4309 0.3725 -0.1300 -0.2162 1032 ASP A O +1052 C CB . ASP A 151 ? 0.4660 1.0777 0.3659 0.3504 -0.0798 -0.1682 1032 ASP A CB +1053 C CG . ASP A 151 ? 0.5846 1.1656 0.4912 0.3337 -0.0801 -0.1635 1032 ASP A CG +1054 O OD1 . ASP A 151 ? 0.6112 1.1395 0.5139 0.3287 -0.0925 -0.1738 1032 ASP A OD1 +1055 O OD2 . ASP A 151 ? 0.6305 1.2418 0.5457 0.3254 -0.0683 -0.1486 1032 ASP A OD2 +1056 N N . ASN A 152 ? 0.5290 1.0910 0.3802 0.4075 -0.1241 -0.2208 1033 ASN A N +1057 C CA . ASN A 152 ? 0.5606 1.0870 0.3899 0.4266 -0.1463 -0.2433 1033 ASN A CA +1058 C C . ASN A 152 ? 0.6191 1.0876 0.4529 0.4032 -0.1546 -0.2428 1033 ASN A C +1059 O O . ASN A 152 ? 0.6516 1.0710 0.4672 0.4113 -0.1764 -0.2607 1033 ASN A O +1060 C CB . ASN A 152 ? 0.5703 1.1470 0.3862 0.4555 -0.1485 -0.2529 1033 ASN A CB +1061 C CG . ASN A 152 ? 0.7325 1.3591 0.5348 0.4880 -0.1492 -0.2625 1033 ASN A CG +1062 O OD1 . ASN A 152 ? 0.6601 1.3563 0.4667 0.4974 -0.1359 -0.2539 1033 ASN A OD1 +1063 N ND2 . ASN A 152 ? 0.5943 1.1886 0.3795 0.5057 -0.1652 -0.2798 1033 ASN A ND2 +1064 N N . ASP A 153 ? 0.5427 1.0164 0.3994 0.3742 -0.1384 -0.2226 1034 ASP A N +1065 C CA . ASP A 153 ? 0.5386 0.9676 0.4023 0.3512 -0.1441 -0.2202 1034 ASP A CA +1066 C C . ASP A 153 ? 0.5718 0.9589 0.4473 0.3249 -0.1422 -0.2116 1034 ASP A C +1067 O O . ASP A 153 ? 0.5744 0.9355 0.4612 0.3013 -0.1415 -0.2043 1034 ASP A O +1068 C CB . ASP A 153 ? 0.5355 0.9948 0.4149 0.3388 -0.1294 -0.2050 1034 ASP A CB +1069 C CG . ASP A 153 ? 0.6203 1.1243 0.4886 0.3632 -0.1303 -0.2114 1034 ASP A CG +1070 O OD1 . ASP A 153 ? 0.6195 1.1703 0.4981 0.3607 -0.1132 -0.1953 1034 ASP A OD1 +1071 O OD2 . ASP A 153 ? 0.6398 1.1307 0.4876 0.3844 -0.1490 -0.2321 1034 ASP A OD2 +1072 N N . ARG A 154 ? 0.5211 0.9047 0.3930 0.3303 -0.1420 -0.2130 1035 ARG A N +1073 C CA . ARG A 154 ? 0.4995 0.8497 0.3807 0.3087 -0.1394 -0.2048 1035 ARG A CA +1074 C C . ARG A 154 ? 0.4953 0.8631 0.4025 0.2816 -0.1176 -0.1825 1035 ARG A C +1075 O O . ARG A 154 ? 0.4869 0.8236 0.4046 0.2582 -0.1160 -0.1750 1035 ARG A O +1076 C CB . ARG A 154 ? 0.5247 0.8127 0.3961 0.2978 -0.1591 -0.2138 1035 ARG A CB +1077 C CG . ARG A 154 ? 0.6707 0.9269 0.5130 0.3226 -0.1842 -0.2360 1035 ARG A CG +1078 C CD . ARG A 154 ? 0.8240 1.0208 0.6584 0.3053 -0.2034 -0.2409 1035 ARG A CD +1079 N NE . ARG A 154 ? 1.0408 1.1902 0.8468 0.3216 -0.2290 -0.2585 1035 ARG A NE +1080 C CZ . ARG A 154 ? 1.2956 1.3857 1.0907 0.3051 -0.2485 -0.2614 1035 ARG A CZ +1081 N NH1 . ARG A 154 ? 1.1688 1.2461 0.9814 0.2715 -0.2440 -0.2479 1035 ARG A NH1 +1082 N NH2 . ARG A 154 ? 1.1615 1.2054 0.9275 0.3220 -0.2733 -0.2774 1035 ARG A NH2 +1083 N N . LEU A 155 ? 0.4199 0.8370 0.3359 0.2849 -0.1020 -0.1718 1036 LEU A N +1084 C CA . LEU A 155 ? 0.3852 0.8155 0.3222 0.2613 -0.0833 -0.1511 1036 LEU A CA +1085 C C . LEU A 155 ? 0.3944 0.8398 0.3386 0.2554 -0.0726 -0.1417 1036 LEU A C +1086 O O . LEU A 155 ? 0.3973 0.8775 0.3346 0.2724 -0.0713 -0.1447 1036 LEU A O +1087 C CB . LEU A 155 ? 0.3772 0.8456 0.3190 0.2634 -0.0735 -0.1416 1036 LEU A CB +1088 C CG . LEU A 155 ? 0.4522 0.9087 0.3905 0.2655 -0.0817 -0.1478 1036 LEU A CG +1089 C CD1 . LEU A 155 ? 0.4527 0.9527 0.3910 0.2743 -0.0737 -0.1405 1036 LEU A CD1 +1090 C CD2 . LEU A 155 ? 0.4636 0.8871 0.4151 0.2413 -0.0798 -0.1406 1036 LEU A CD2 +1091 N N . VAL A 156 ? 0.2972 0.7186 0.2547 0.2319 -0.0657 -0.1313 1037 VAL A N +1092 C CA . VAL A 156 ? 0.2626 0.6917 0.2283 0.2219 -0.0561 -0.1220 1037 VAL A CA +1093 C C . VAL A 156 ? 0.3027 0.7817 0.2742 0.2225 -0.0425 -0.1091 1037 VAL A C +1094 O O . VAL A 156 ? 0.2974 0.7944 0.2739 0.2176 -0.0352 -0.0991 1037 VAL A O +1095 C CB . VAL A 156 ? 0.2743 0.6690 0.2526 0.1967 -0.0514 -0.1134 1037 VAL A CB +1096 C CG1 . VAL A 156 ? 0.2406 0.6504 0.2312 0.1815 -0.0371 -0.0985 1037 VAL A CG1 +1097 C CG2 . VAL A 156 ? 0.2831 0.6368 0.2542 0.1955 -0.0644 -0.1240 1037 VAL A CG2 +1098 N N . LYS A 157 ? 0.2666 0.7689 0.2365 0.2284 -0.0401 -0.1088 1038 LYS A N +1099 C CA . LYS A 157 ? 0.2552 0.8082 0.2307 0.2260 -0.0283 -0.0955 1038 LYS A CA +1100 C C . LYS A 157 ? 0.3064 0.8582 0.2892 0.2134 -0.0232 -0.0894 1038 LYS A C +1101 O O . LYS A 157 ? 0.3147 0.8748 0.2902 0.2278 -0.0291 -0.0995 1038 LYS A O +1102 C CB . LYS A 157 ? 0.2953 0.8967 0.2582 0.2534 -0.0323 -0.1042 1038 LYS A CB +1103 C CG . LYS A 157 ? 0.3748 0.9858 0.3298 0.2668 -0.0365 -0.1092 1038 LYS A CG +1104 C CD . LYS A 157 ? 0.3661 0.9947 0.3314 0.2491 -0.0243 -0.0895 1038 LYS A CD +1105 C CE . LYS A 157 ? 0.3424 0.9841 0.2995 0.2633 -0.0284 -0.0942 1038 LYS A CE +1106 N NZ . LYS A 157 ? 0.3334 0.9955 0.2984 0.2476 -0.0170 -0.0734 1038 LYS A NZ +1107 N N . ILE A 158 ? 0.2451 0.7838 0.2408 0.1878 -0.0135 -0.0741 1039 ILE A N +1108 C CA . ILE A 158 ? 0.2252 0.7614 0.2283 0.1734 -0.0086 -0.0677 1039 ILE A CA +1109 C C . ILE A 158 ? 0.2773 0.8700 0.2810 0.1771 -0.0031 -0.0606 1039 ILE A C +1110 O O . ILE A 158 ? 0.2774 0.9047 0.2838 0.1715 0.0038 -0.0477 1039 ILE A O +1111 C CB . ILE A 158 ? 0.2397 0.7456 0.2541 0.1469 -0.0013 -0.0549 1039 ILE A CB +1112 C CG1 . ILE A 158 ? 0.2364 0.6926 0.2507 0.1443 -0.0072 -0.0634 1039 ILE A CG1 +1113 C CG2 . ILE A 158 ? 0.2441 0.7543 0.2652 0.1319 0.0039 -0.0475 1039 ILE A CG2 +1114 C CD1 . ILE A 158 ? 0.2181 0.6490 0.2410 0.1251 -0.0011 -0.0532 1039 ILE A CD1 +1115 N N . GLY A 159 ? 0.2413 0.8446 0.2418 0.1866 -0.0068 -0.0686 1040 GLY A N +1116 C CA . GLY A 159 ? 0.2450 0.9068 0.2465 0.1914 -0.0025 -0.0633 1040 GLY A CA +1117 C C . GLY A 159 ? 0.2833 0.9450 0.2934 0.1741 0.0018 -0.0562 1040 GLY A C +1118 O O . GLY A 159 ? 0.2589 0.8758 0.2752 0.1554 0.0032 -0.0528 1040 GLY A O +1119 N N . ASP A 160 ? 0.2349 0.9510 0.2451 0.1815 0.0036 -0.0546 1041 ASP A N +1120 C CA . ASP A 160 ? 0.2238 0.9551 0.2419 0.1672 0.0073 -0.0478 1041 ASP A CA +1121 C C . ASP A 160 ? 0.2868 0.9942 0.3169 0.1321 0.0149 -0.0306 1041 ASP A C +1122 O O . ASP A 160 ? 0.2915 0.9520 0.3244 0.1212 0.0135 -0.0333 1041 ASP A O +1123 C CB . ASP A 160 ? 0.2529 0.9631 0.2641 0.1839 -0.0014 -0.0642 1041 ASP A CB +1124 C CG . ASP A 160 ? 0.3236 1.0715 0.3404 0.1789 0.0013 -0.0600 1041 ASP A CG +1125 O OD1 . ASP A 160 ? 0.2903 1.0717 0.3183 0.1555 0.0101 -0.0429 1041 ASP A OD1 +1126 O OD2 . ASP A 160 ? 0.3666 1.1084 0.3756 0.1975 -0.0064 -0.0734 1041 ASP A OD2 +1127 N N . PHE A 161 ? 0.2514 0.9930 0.2870 0.1150 0.0221 -0.0128 1042 PHE A N +1128 C CA . PHE A 161 ? 0.2498 0.9727 0.2936 0.0821 0.0275 0.0050 1042 PHE A CA +1129 C C . PHE A 161 ? 0.2799 1.0385 0.3306 0.0654 0.0302 0.0145 1042 PHE A C +1130 O O . PHE A 161 ? 0.2647 1.0237 0.3206 0.0371 0.0337 0.0319 1042 PHE A O +1131 C CB . PHE A 161 ? 0.2823 1.0146 0.3254 0.0717 0.0315 0.0202 1042 PHE A CB +1132 C CG . PHE A 161 ? 0.3052 0.9902 0.3434 0.0813 0.0288 0.0123 1042 PHE A CG +1133 C CD1 . PHE A 161 ? 0.3514 0.9830 0.3917 0.0639 0.0295 0.0178 1042 PHE A CD1 +1134 C CD2 . PHE A 161 ? 0.3254 1.0192 0.3562 0.1089 0.0246 -0.0020 1042 PHE A CD2 +1135 C CE1 . PHE A 161 ? 0.3568 0.9502 0.3935 0.0732 0.0270 0.0104 1042 PHE A CE1 +1136 C CE2 . PHE A 161 ? 0.3629 1.0145 0.3899 0.1161 0.0213 -0.0095 1042 PHE A CE2 +1137 C CZ . PHE A 161 ? 0.3389 0.9430 0.3697 0.0978 0.0230 -0.0028 1042 PHE A CZ +1138 N N . GLY A 162 ? 0.2395 1.0247 0.2889 0.0834 0.0271 0.0025 1043 GLY A N +1139 C CA . GLY A 162 ? 0.2447 1.0681 0.3003 0.0725 0.0285 0.0080 1043 GLY A CA +1140 C C . GLY A 162 ? 0.3142 1.0944 0.3758 0.0458 0.0290 0.0136 1043 GLY A C +1141 O O . GLY A 162 ? 0.2981 1.1066 0.3663 0.0234 0.0313 0.0266 1043 GLY A O +1142 N N . LEU A 163 ? 0.3068 1.0200 0.3656 0.0474 0.0262 0.0041 1044 LEU A N +1143 C CA . LEU A 163 ? 0.3114 0.9791 0.3739 0.0254 0.0261 0.0071 1044 LEU A CA +1144 C C . LEU A 163 ? 0.3696 1.0003 0.4325 0.0042 0.0283 0.0190 1044 LEU A C +1145 O O . LEU A 163 ? 0.3753 0.9747 0.4401 -0.0160 0.0279 0.0237 1044 LEU A O +1146 C CB . LEU A 163 ? 0.3093 0.9301 0.3680 0.0394 0.0217 -0.0096 1044 LEU A CB +1147 C CG . LEU A 163 ? 0.3803 1.0137 0.4387 0.0476 0.0183 -0.0184 1044 LEU A CG +1148 C CD1 . LEU A 163 ? 0.4060 1.0767 0.4719 0.0268 0.0210 -0.0072 1044 LEU A CD1 +1149 C CD2 . LEU A 163 ? 0.3900 1.0496 0.4409 0.0789 0.0134 -0.0313 1044 LEU A CD2 +1150 N N . ALA A 164 ? 0.3147 0.9478 0.3743 0.0104 0.0297 0.0230 1045 ALA A N +1151 C CA . ALA A 164 ? 0.3044 0.9012 0.3622 -0.0054 0.0307 0.0336 1045 ALA A CA +1152 C C . ALA A 164 ? 0.3419 0.9394 0.4013 -0.0364 0.0310 0.0519 1045 ALA A C +1153 O O . ALA A 164 ? 0.3303 0.9771 0.3931 -0.0475 0.0321 0.0623 1045 ALA A O +1154 C CB . ALA A 164 ? 0.3129 0.9245 0.3667 0.0069 0.0319 0.0363 1045 ALA A CB +1155 N N . LYS A 165 ? 0.2847 0.8270 0.3406 -0.0501 0.0290 0.0552 1046 LYS A N +1156 C CA . LYS A 165 ? 0.2860 0.8126 0.3395 -0.0795 0.0262 0.0709 1046 LYS A CA +1157 C C . LYS A 165 ? 0.3589 0.8362 0.4040 -0.0861 0.0236 0.0775 1046 LYS A C +1158 O O . LYS A 165 ? 0.3523 0.7964 0.3953 -0.0694 0.0240 0.0661 1046 LYS A O +1159 C CB . LYS A 165 ? 0.2925 0.7953 0.3479 -0.0898 0.0234 0.0641 1046 LYS A CB +1160 C CG . LYS A 165 ? 0.3933 0.9409 0.4560 -0.0855 0.0247 0.0582 1046 LYS A CG +1161 C CD . LYS A 165 ? 0.5024 1.1036 0.5688 -0.1066 0.0245 0.0748 1046 LYS A CD +1162 C CE . LYS A 165 ? 0.6319 1.2871 0.7053 -0.0950 0.0263 0.0675 1046 LYS A CE +1163 N NZ . LYS A 165 ? 0.8069 1.5164 0.8851 -0.1182 0.0258 0.0835 1046 LYS A NZ +1164 N N . ALA A 166 ? 0.3483 0.8193 0.3877 -0.1113 0.0198 0.0961 1047 ALA A N +1165 C CA . ALA A 166 ? 0.3850 0.8039 0.4134 -0.1190 0.0149 0.1035 1047 ALA A CA +1166 C C . ALA A 166 ? 0.4933 0.8560 0.5169 -0.1255 0.0094 0.0946 1047 ALA A C +1167 O O . ALA A 166 ? 0.5073 0.8734 0.5323 -0.1424 0.0063 0.0966 1047 ALA A O +1168 C CB . ALA A 166 ? 0.4212 0.8537 0.4428 -0.1448 0.0110 0.1282 1047 ALA A CB +1169 N N . VAL A 167 ? 0.4692 0.7847 0.4873 -0.1110 0.0080 0.0840 1048 VAL A N +1170 C CA . VAL A 167 ? 0.4875 0.7519 0.4991 -0.1144 0.0025 0.0749 1048 VAL A CA +1171 C C . VAL A 167 ? 0.6084 0.8376 0.6053 -0.1373 -0.0074 0.0909 1048 VAL A C +1172 O O . VAL A 167 ? 0.6274 0.8410 0.6156 -0.1360 -0.0099 0.1004 1048 VAL A O +1173 C CB . VAL A 167 ? 0.5254 0.7577 0.5360 -0.0909 0.0041 0.0582 1048 VAL A CB +1174 C CG1 . VAL A 167 ? 0.5360 0.7209 0.5386 -0.0936 -0.0019 0.0492 1048 VAL A CG1 +1175 C CG2 . VAL A 167 ? 0.4878 0.7514 0.5110 -0.0716 0.0117 0.0445 1048 VAL A CG2 +1176 N N . PRO A 168 ? 0.6038 0.8203 0.5966 -0.1592 -0.0142 0.0950 1049 PRO A N +1177 C CA . PRO A 168 ? 0.6566 0.8349 0.6327 -0.1836 -0.0263 0.1112 1049 PRO A CA +1178 C C . PRO A 168 ? 0.7592 0.8729 0.7183 -0.1726 -0.0340 0.1067 1049 PRO A C +1179 O O . PRO A 168 ? 0.7325 0.8217 0.6915 -0.1519 -0.0324 0.0878 1049 PRO A O +1180 C CB . PRO A 168 ? 0.6913 0.8631 0.6666 -0.2041 -0.0326 0.1098 1049 PRO A CB +1181 C CG . PRO A 168 ? 0.7017 0.9281 0.6957 -0.1950 -0.0222 0.0998 1049 PRO A CG +1182 C CD . PRO A 168 ? 0.6099 0.8440 0.6115 -0.1633 -0.0126 0.0852 1049 PRO A CD +1183 N N . GLU A 169 ? 0.7823 0.8716 0.7264 -0.1855 -0.0423 0.1247 1050 GLU A N +1184 C CA . GLU A 169 ? 0.8249 0.8520 0.7495 -0.1749 -0.0516 0.1229 1050 GLU A CA +1185 C C . GLU A 169 ? 0.8996 0.8686 0.8096 -0.1777 -0.0635 0.1113 1050 GLU A C +1186 O O . GLU A 169 ? 0.9156 0.8728 0.8192 -0.2037 -0.0726 0.1190 1050 GLU A O +1187 C CB . GLU A 169 ? 0.8876 0.9021 0.7976 -0.1923 -0.0597 0.1476 1050 GLU A CB +1188 C CG . GLU A 169 ? 1.0806 1.0811 0.9842 -0.1692 -0.0579 0.1474 1050 GLU A CG +1189 C CD . GLU A 169 ? 1.3614 1.4243 1.2836 -0.1537 -0.0428 0.1469 1050 GLU A CD +1190 O OE1 . GLU A 169 ? 1.2618 1.3672 1.1882 -0.1692 -0.0398 0.1655 1050 GLU A OE1 +1191 O OE2 . GLU A 169 ? 1.2878 1.3576 1.2194 -0.1261 -0.0349 0.1281 1050 GLU A OE2 +1192 N N . GLY A 170 ? 0.8546 0.7929 0.7601 -0.1504 -0.0633 0.0923 1051 GLY A N +1193 C CA . GLY A 170 ? 0.8771 0.7646 0.7686 -0.1454 -0.0734 0.0771 1051 GLY A CA +1194 C C . GLY A 170 ? 0.8748 0.7898 0.7820 -0.1401 -0.0652 0.0601 1051 GLY A C +1195 O O . GLY A 170 ? 0.8877 0.7692 0.7847 -0.1403 -0.0732 0.0484 1051 GLY A O +1196 N N . HIS A 171 ? 0.7700 0.7447 0.7002 -0.1347 -0.0502 0.0585 1052 HIS A N +1197 C CA . HIS A 171 ? 0.7284 0.7334 0.6740 -0.1286 -0.0418 0.0441 1052 HIS A CA +1198 C C . HIS A 171 ? 0.7127 0.7481 0.6731 -0.1030 -0.0290 0.0330 1052 HIS A C +1199 O O . HIS A 171 ? 0.6869 0.7423 0.6523 -0.0964 -0.0239 0.0402 1052 HIS A O +1200 C CB . HIS A 171 ? 0.7290 0.7771 0.6863 -0.1516 -0.0390 0.0543 1052 HIS A CB +1201 C CG . HIS A 171 ? 0.8185 0.8399 0.7626 -0.1799 -0.0523 0.0644 1052 HIS A CG +1202 N ND1 . HIS A 171 ? 0.8752 0.8908 0.8104 -0.2030 -0.0599 0.0859 1052 HIS A ND1 +1203 C CD2 . HIS A 171 ? 0.8624 0.8613 0.8002 -0.1892 -0.0599 0.0559 1052 HIS A CD2 +1204 C CE1 . HIS A 171 ? 0.9054 0.8938 0.8291 -0.2271 -0.0726 0.0903 1052 HIS A CE1 +1205 N NE2 . HIS A 171 ? 0.9034 0.8806 0.8282 -0.2192 -0.0732 0.0719 1052 HIS A NE2 +1206 N N . GLU A 172 ? 0.6519 0.6902 0.6181 -0.0893 -0.0247 0.0160 1053 GLU A N +1207 C CA . GLU A 172 ? 0.6094 0.6732 0.5884 -0.0676 -0.0144 0.0057 1053 GLU A CA +1208 C C . GLU A 172 ? 0.5835 0.6959 0.5799 -0.0698 -0.0055 0.0054 1053 GLU A C +1209 O O . GLU A 172 ? 0.5474 0.6824 0.5536 -0.0550 0.0016 0.0000 1053 GLU A O +1210 C CB . GLU A 172 ? 0.6350 0.6761 0.6091 -0.0507 -0.0153 -0.0112 1053 GLU A CB +1211 C CG . GLU A 172 ? 0.8010 0.8529 0.7810 -0.0290 -0.0091 -0.0179 1053 GLU A CG +1212 C CD . GLU A 172 ? 1.1729 1.1991 1.1433 -0.0112 -0.0123 -0.0305 1053 GLU A CD +1213 O OE1 . GLU A 172 ? 1.1738 1.1936 1.1416 -0.0089 -0.0134 -0.0412 1053 GLU A OE1 +1214 O OE2 . GLU A 172 ? 1.1187 1.1362 1.0845 0.0021 -0.0132 -0.0302 1053 GLU A OE2 +1215 N N . TYR A 173 ? 0.5129 0.6410 0.5118 -0.0880 -0.0072 0.0115 1054 TYR A N +1216 C CA . TYR A 173 ? 0.4619 0.6358 0.4750 -0.0884 -0.0004 0.0108 1054 TYR A CA +1217 C C . TYR A 173 ? 0.4818 0.6847 0.4977 -0.1089 -0.0020 0.0248 1054 TYR A C +1218 O O . TYR A 173 ? 0.4830 0.6675 0.4896 -0.1278 -0.0095 0.0357 1054 TYR A O +1219 C CB . TYR A 173 ? 0.4621 0.6356 0.4787 -0.0828 0.0012 -0.0030 1054 TYR A CB +1220 C CG . TYR A 173 ? 0.5077 0.6606 0.5164 -0.0983 -0.0061 -0.0041 1054 TYR A CG +1221 C CD1 . TYR A 173 ? 0.5593 0.6690 0.5552 -0.0950 -0.0123 -0.0120 1054 TYR A CD1 +1222 C CD2 . TYR A 173 ? 0.5173 0.6957 0.5305 -0.1152 -0.0075 0.0019 1054 TYR A CD2 +1223 C CE1 . TYR A 173 ? 0.5977 0.6854 0.5843 -0.1087 -0.0207 -0.0144 1054 TYR A CE1 +1224 C CE2 . TYR A 173 ? 0.5548 0.7139 0.5602 -0.1311 -0.0154 0.0009 1054 TYR A CE2 +1225 C CZ . TYR A 173 ? 0.6895 0.8011 0.6810 -0.1279 -0.0224 -0.0076 1054 TYR A CZ +1226 O OH . TYR A 173 ? 0.7350 0.8252 0.7171 -0.1427 -0.0316 -0.0102 1054 TYR A OH +1227 N N . TYR A 174 ? 0.4102 0.6594 0.4380 -0.1049 0.0041 0.0243 1055 TYR A N +1228 C CA . TYR A 174 ? 0.4028 0.6930 0.4357 -0.1209 0.0040 0.0355 1055 TYR A CA +1229 C C . TYR A 174 ? 0.4157 0.7198 0.4537 -0.1232 0.0040 0.0270 1055 TYR A C +1230 O O . TYR A 174 ? 0.3838 0.6920 0.4265 -0.1056 0.0080 0.0143 1055 TYR A O +1231 C CB . TYR A 174 ? 0.4000 0.7369 0.4409 -0.1102 0.0102 0.0402 1055 TYR A CB +1232 C CG . TYR A 174 ? 0.3997 0.7917 0.4486 -0.1174 0.0121 0.0457 1055 TYR A CG +1233 C CD1 . TYR A 174 ? 0.4336 0.8513 0.4819 -0.1404 0.0094 0.0631 1055 TYR A CD1 +1234 C CD2 . TYR A 174 ? 0.3818 0.8019 0.4380 -0.1012 0.0157 0.0342 1055 TYR A CD2 +1235 C CE1 . TYR A 174 ? 0.4143 0.8902 0.4708 -0.1466 0.0112 0.0683 1055 TYR A CE1 +1236 C CE2 . TYR A 174 ? 0.3843 0.8577 0.4470 -0.1048 0.0168 0.0381 1055 TYR A CE2 +1237 C CZ . TYR A 174 ? 0.4868 0.9914 0.5505 -0.1271 0.0151 0.0549 1055 TYR A CZ +1238 O OH . TYR A 174 ? 0.5135 1.0781 0.5844 -0.1300 0.0165 0.0588 1055 TYR A OH +1239 N N . ARG A 175 ? 0.3821 0.6933 0.4185 -0.1457 -0.0013 0.0347 1056 ARG A N +1240 C CA . ARG A 175 ? 0.3639 0.6914 0.4047 -0.1499 -0.0021 0.0279 1056 ARG A CA +1241 C C . ARG A 175 ? 0.3901 0.7789 0.4426 -0.1424 0.0036 0.0293 1056 ARG A C +1242 O O . ARG A 175 ? 0.3664 0.7943 0.4226 -0.1547 0.0037 0.0426 1056 ARG A O +1243 C CB . ARG A 175 ? 0.3717 0.6833 0.4056 -0.1778 -0.0114 0.0355 1056 ARG A CB +1244 C CG . ARG A 175 ? 0.4899 0.8288 0.5293 -0.1865 -0.0130 0.0315 1056 ARG A CG +1245 C CD . ARG A 175 ? 0.5993 0.9052 0.6287 -0.2098 -0.0239 0.0326 1056 ARG A CD +1246 N NE . ARG A 175 ? 0.8479 1.1283 0.8669 -0.2330 -0.0327 0.0476 1056 ARG A NE +1247 C CZ . ARG A 175 ? 1.0705 1.2905 1.0744 -0.2327 -0.0397 0.0456 1056 ARG A CZ +1248 N NH1 . ARG A 175 ? 0.8511 1.0356 0.8499 -0.2102 -0.0378 0.0289 1056 ARG A NH1 +1249 N NH2 . ARG A 175 ? 1.0028 1.1987 0.9955 -0.2546 -0.0491 0.0608 1056 ARG A NH2 +1250 N N . VAL A 176 ? 0.3443 0.7416 0.4012 -0.1216 0.0076 0.0159 1057 VAL A N +1251 C CA . VAL A 176 ? 0.3311 0.7809 0.3958 -0.1095 0.0112 0.0143 1057 VAL A CA +1252 C C . VAL A 176 ? 0.4261 0.9105 0.4952 -0.1219 0.0087 0.0162 1057 VAL A C +1253 O O . VAL A 176 ? 0.4288 0.8912 0.4954 -0.1288 0.0054 0.0102 1057 VAL A O +1254 C CB . VAL A 176 ? 0.3529 0.8005 0.4184 -0.0810 0.0148 0.0020 1057 VAL A CB +1255 C CG1 . VAL A 176 ? 0.3497 0.7471 0.4100 -0.0734 0.0153 -0.0041 1057 VAL A CG1 +1256 C CG2 . VAL A 176 ? 0.3357 0.7987 0.4030 -0.0696 0.0141 -0.0081 1057 VAL A CG2 +1257 N N . ARG A 177 ? 0.4200 0.9617 0.4953 -0.1256 0.0101 0.0252 1058 ARG A N +1258 C CA . ARG A 177 ? 0.4374 1.0255 0.5184 -0.1372 0.0080 0.0288 1058 ARG A CA +1259 C C . ARG A 177 ? 0.4973 1.1145 0.5813 -0.1109 0.0101 0.0162 1058 ARG A C +1260 O O . ARG A 177 ? 0.5147 1.1877 0.6033 -0.1002 0.0120 0.0184 1058 ARG A O +1261 C CB . ARG A 177 ? 0.4500 1.0918 0.5360 -0.1544 0.0084 0.0462 1058 ARG A CB +1262 C CG . ARG A 177 ? 0.6027 1.2231 0.6848 -0.1894 0.0025 0.0614 1058 ARG A CG +1263 C CD . ARG A 177 ? 0.7006 1.3542 0.7840 -0.2027 0.0038 0.0800 1058 ARG A CD +1264 N NE . ARG A 177 ? 0.8002 1.5372 0.8933 -0.2006 0.0074 0.0867 1058 ARG A NE +1265 C CZ . ARG A 177 ? 1.0386 1.8184 1.1348 -0.1792 0.0135 0.0868 1058 ARG A CZ +1266 N NH1 . ARG A 177 ? 0.8983 1.7577 1.0024 -0.1760 0.0161 0.0920 1058 ARG A NH1 +1267 N NH2 . ARG A 177 ? 0.9148 1.6603 1.0056 -0.1601 0.0166 0.0812 1058 ARG A NH2 +1268 N N . GLU A 178 ? 0.4246 1.0039 0.5045 -0.0995 0.0089 0.0031 1059 GLU A N +1269 C CA . GLU A 178 ? 0.4067 0.9987 0.4858 -0.0747 0.0088 -0.0091 1059 GLU A CA +1270 C C . GLU A 178 ? 0.4636 1.0477 0.5390 -0.0478 0.0108 -0.0159 1059 GLU A C +1271 O O . GLU A 178 ? 0.4473 1.0445 0.5238 -0.0457 0.0132 -0.0101 1059 GLU A O +1272 C CB . GLU A 178 ? 0.4130 1.0674 0.4975 -0.0740 0.0074 -0.0072 1059 GLU A CB +1273 C CG . GLU A 178 ? 0.4700 1.1215 0.5526 -0.0673 0.0042 -0.0168 1059 GLU A CG +1274 C CD . GLU A 178 ? 0.5062 1.1127 0.5858 -0.0856 0.0019 -0.0185 1059 GLU A CD +1275 O OE1 . GLU A 178 ? 0.3776 0.9403 0.4510 -0.0742 0.0018 -0.0275 1059 GLU A OE1 +1276 O OE2 . GLU A 178 ? 0.3310 0.9462 0.4137 -0.1112 -0.0006 -0.0111 1059 GLU A OE2 +1277 N N . ASP A 179 ? 0.4318 0.9936 0.5017 -0.0283 0.0087 -0.0277 1060 ASP A N +1278 C CA . ASP A 179 ? 0.4315 0.9801 0.4957 -0.0036 0.0079 -0.0353 1060 ASP A CA +1279 C C . ASP A 179 ? 0.5004 1.0968 0.5629 0.0188 0.0054 -0.0393 1060 ASP A C +1280 O O . ASP A 179 ? 0.5030 1.0888 0.5584 0.0411 0.0024 -0.0468 1060 ASP A O +1281 C CB . ASP A 179 ? 0.4483 0.9483 0.5056 0.0047 0.0052 -0.0443 1060 ASP A CB +1282 C CG . ASP A 179 ? 0.5277 0.9844 0.5853 -0.0123 0.0074 -0.0426 1060 ASP A CG +1283 O OD1 . ASP A 179 ? 0.5134 0.9567 0.5731 -0.0212 0.0103 -0.0374 1060 ASP A OD1 +1284 O OD2 . ASP A 179 ? 0.5695 1.0061 0.6241 -0.0146 0.0058 -0.0470 1060 ASP A OD2 +1285 N N . GLY A 180 ? 0.4719 1.1207 0.5401 0.0127 0.0057 -0.0344 1061 GLY A N +1286 C CA . GLY A 180 ? 0.4704 1.1771 0.5379 0.0332 0.0036 -0.0375 1061 GLY A CA +1287 C C . GLY A 180 ? 0.5279 1.2325 0.5858 0.0649 0.0000 -0.0475 1061 GLY A C +1288 O O . GLY A 180 ? 0.5418 1.2184 0.5895 0.0848 -0.0064 -0.0586 1061 GLY A O +1289 N N . ASP A 181 ? 0.4616 1.1932 0.5211 0.0692 0.0029 -0.0432 1062 ASP A N +1290 C CA . ASP A 181 ? 0.4614 1.1956 0.5109 0.0996 -0.0013 -0.0531 1062 ASP A CA +1291 C C . ASP A 181 ? 0.4759 1.1566 0.5220 0.0970 -0.0004 -0.0536 1062 ASP A C +1292 O O . ASP A 181 ? 0.4708 1.1670 0.5151 0.1069 0.0005 -0.0534 1062 ASP A O +1293 C CB . ASP A 181 ? 0.4985 1.3081 0.5513 0.1093 0.0012 -0.0490 1062 ASP A CB +1294 C CG . ASP A 181 ? 0.7294 1.6059 0.7879 0.1092 0.0015 -0.0462 1062 ASP A CG +1295 O OD1 . ASP A 181 ? 0.7546 1.6191 0.8156 0.0987 0.0000 -0.0465 1062 ASP A OD1 +1296 O OD2 . ASP A 181 ? 0.8310 1.7754 0.8917 0.1194 0.0033 -0.0433 1062 ASP A OD2 +1297 N N . SER A 182 ? 0.3884 1.0103 0.4339 0.0846 -0.0009 -0.0545 1063 SER A N +1298 C CA . SER A 182 ? 0.3698 0.9431 0.4135 0.0797 0.0001 -0.0544 1063 SER A CA +1299 C C . SER A 182 ? 0.3740 0.8990 0.4063 0.0962 -0.0077 -0.0660 1063 SER A C +1300 O O . SER A 182 ? 0.3685 0.8816 0.3951 0.1027 -0.0130 -0.0716 1063 SER A O +1301 C CB . SER A 182 ? 0.4146 0.9624 0.4665 0.0506 0.0061 -0.0447 1063 SER A CB +1302 O OG . SER A 182 ? 0.5454 1.1301 0.6056 0.0326 0.0113 -0.0325 1063 SER A OG +1303 N N . PRO A 183 ? 0.3095 0.8061 0.3376 0.1018 -0.0094 -0.0688 1064 PRO A N +1304 C CA . PRO A 183 ? 0.3092 0.7597 0.3261 0.1135 -0.0182 -0.0780 1064 PRO A CA +1305 C C . PRO A 183 ? 0.3325 0.7423 0.3530 0.0940 -0.0159 -0.0743 1064 PRO A C +1306 O O . PRO A 183 ? 0.3230 0.7050 0.3459 0.0849 -0.0138 -0.0722 1064 PRO A O +1307 C CB . PRO A 183 ? 0.3294 0.7719 0.3423 0.1235 -0.0205 -0.0812 1064 PRO A CB +1308 C CG . PRO A 183 ? 0.3732 0.8368 0.3980 0.1069 -0.0100 -0.0704 1064 PRO A CG +1309 C CD . PRO A 183 ? 0.3174 0.8226 0.3501 0.0969 -0.0043 -0.0630 1064 PRO A CD +1310 N N . VAL A 184 ? 0.2791 0.6898 0.2998 0.0889 -0.0164 -0.0740 1065 VAL A N +1311 C CA . VAL A 184 ? 0.2725 0.6532 0.2957 0.0721 -0.0141 -0.0710 1065 VAL A CA +1312 C C . VAL A 184 ? 0.3033 0.6398 0.3190 0.0735 -0.0197 -0.0741 1065 VAL A C +1313 O O . VAL A 184 ? 0.3045 0.6199 0.3246 0.0583 -0.0155 -0.0703 1065 VAL A O +1314 C CB . VAL A 184 ? 0.3214 0.7170 0.3449 0.0685 -0.0144 -0.0706 1065 VAL A CB +1315 C CG1 . VAL A 184 ? 0.3065 0.7445 0.3404 0.0579 -0.0077 -0.0646 1065 VAL A CG1 +1316 C CG2 . VAL A 184 ? 0.3317 0.7298 0.3427 0.0903 -0.0246 -0.0782 1065 VAL A CG2 +1317 N N . PHE A 185 ? 0.2456 0.5690 0.2489 0.0916 -0.0301 -0.0809 1066 PHE A N +1318 C CA . PHE A 185 ? 0.2588 0.5405 0.2536 0.0912 -0.0377 -0.0827 1066 PHE A CA +1319 C C . PHE A 185 ? 0.2855 0.5553 0.2855 0.0845 -0.0346 -0.0809 1066 PHE A C +1320 O O . PHE A 185 ? 0.2898 0.5291 0.2850 0.0803 -0.0401 -0.0810 1066 PHE A O +1321 C CB . PHE A 185 ? 0.3091 0.5737 0.2856 0.1116 -0.0528 -0.0905 1066 PHE A CB +1322 C CG . PHE A 185 ? 0.3494 0.6132 0.3187 0.1154 -0.0574 -0.0910 1066 PHE A CG +1323 C CD1 . PHE A 185 ? 0.3921 0.6310 0.3602 0.1006 -0.0577 -0.0857 1066 PHE A CD1 +1324 C CD2 . PHE A 185 ? 0.3965 0.6880 0.3600 0.1346 -0.0614 -0.0966 1066 PHE A CD2 +1325 C CE1 . PHE A 185 ? 0.4091 0.6478 0.3698 0.1044 -0.0621 -0.0856 1066 PHE A CE1 +1326 C CE2 . PHE A 185 ? 0.4357 0.7275 0.3921 0.1393 -0.0661 -0.0972 1066 PHE A CE2 +1327 C CZ . PHE A 185 ? 0.4033 0.6671 0.3582 0.1238 -0.0665 -0.0915 1066 PHE A CZ +1328 N N . TRP A 186 ? 0.2198 0.5155 0.2298 0.0821 -0.0260 -0.0782 1067 TRP A N +1329 C CA . TRP A 186 ? 0.2103 0.5010 0.2262 0.0764 -0.0216 -0.0756 1067 TRP A CA +1330 C C . TRP A 186 ? 0.2711 0.5678 0.2991 0.0582 -0.0104 -0.0679 1067 TRP A C +1331 O O . TRP A 186 ? 0.2739 0.5697 0.3073 0.0530 -0.0057 -0.0647 1067 TRP A O +1332 C CB . TRP A 186 ? 0.1885 0.5043 0.2031 0.0905 -0.0223 -0.0783 1067 TRP A CB +1333 C CG . TRP A 186 ? 0.2175 0.5188 0.2188 0.1089 -0.0345 -0.0874 1067 TRP A CG +1334 C CD1 . TRP A 186 ? 0.2563 0.5426 0.2548 0.1121 -0.0385 -0.0902 1067 TRP A CD1 +1335 C CD2 . TRP A 186 ? 0.2326 0.5311 0.2197 0.1277 -0.0460 -0.0959 1067 TRP A CD2 +1336 N NE1 . TRP A 186 ? 0.2726 0.5435 0.2553 0.1302 -0.0526 -0.1000 1067 TRP A NE1 +1337 C CE2 . TRP A 186 ? 0.3015 0.5786 0.2762 0.1413 -0.0577 -0.1040 1067 TRP A CE2 +1338 C CE3 . TRP A 186 ? 0.2523 0.5643 0.2349 0.1354 -0.0484 -0.0980 1067 TRP A CE3 +1339 C CZ2 . TRP A 186 ? 0.3193 0.5841 0.2753 0.1635 -0.0727 -0.1146 1067 TRP A CZ2 +1340 C CZ3 . TRP A 186 ? 0.2935 0.5959 0.2585 0.1582 -0.0624 -0.1080 1067 TRP A CZ3 +1341 C CH2 . TRP A 186 ? 0.3208 0.5975 0.2718 0.1724 -0.0750 -0.1165 1067 TRP A CH2 +1342 N N . TYR A 187 ? 0.2269 0.5277 0.2573 0.0496 -0.0074 -0.0656 1068 TYR A N +1343 C CA . TYR A 187 ? 0.2275 0.5319 0.2662 0.0337 0.0009 -0.0598 1068 TYR A CA +1344 C C . TYR A 187 ? 0.2736 0.5548 0.3132 0.0229 0.0028 -0.0593 1068 TYR A C +1345 O O . TYR A 187 ? 0.2664 0.5373 0.3015 0.0231 -0.0008 -0.0614 1068 TYR A O +1346 C CB . TYR A 187 ? 0.2501 0.5813 0.2915 0.0299 0.0031 -0.0574 1068 TYR A CB +1347 C CG . TYR A 187 ? 0.2674 0.6307 0.3123 0.0318 0.0056 -0.0532 1068 TYR A CG +1348 C CD1 . TYR A 187 ? 0.2852 0.6531 0.3291 0.0409 0.0051 -0.0534 1068 TYR A CD1 +1349 C CD2 . TYR A 187 ? 0.2813 0.6737 0.3304 0.0238 0.0080 -0.0485 1068 TYR A CD2 +1350 C CE1 . TYR A 187 ? 0.2927 0.6948 0.3394 0.0426 0.0077 -0.0485 1068 TYR A CE1 +1351 C CE2 . TYR A 187 ? 0.2900 0.7176 0.3423 0.0235 0.0103 -0.0427 1068 TYR A CE2 +1352 C CZ . TYR A 187 ? 0.3521 0.7851 0.4032 0.0332 0.0104 -0.0424 1068 TYR A CZ +1353 O OH . TYR A 187 ? 0.3738 0.8454 0.4277 0.0323 0.0131 -0.0355 1068 TYR A OH +1354 N N . ALA A 188 ? 0.2174 0.4925 0.2621 0.0139 0.0084 -0.0561 1069 ALA A N +1355 C CA . ALA A 188 ? 0.2055 0.4637 0.2510 0.0054 0.0112 -0.0562 1069 ALA A CA +1356 C C . ALA A 188 ? 0.2487 0.5097 0.2934 -0.0021 0.0122 -0.0566 1069 ALA A C +1357 O O . ALA A 188 ? 0.2543 0.5311 0.3001 -0.0046 0.0124 -0.0548 1069 ALA A O +1358 C CB . ALA A 188 ? 0.2117 0.4644 0.2605 0.0016 0.0154 -0.0537 1069 ALA A CB +1359 N N . PRO A 189 ? 0.2194 0.4689 0.2622 -0.0063 0.0128 -0.0585 1070 PRO A N +1360 C CA . PRO A 189 ? 0.2276 0.4806 0.2685 -0.0126 0.0131 -0.0598 1070 PRO A CA +1361 C C . PRO A 189 ? 0.2819 0.5383 0.3244 -0.0211 0.0151 -0.0586 1070 PRO A C +1362 O O . PRO A 189 ? 0.2785 0.5455 0.3203 -0.0257 0.0137 -0.0588 1070 PRO A O +1363 C CB . PRO A 189 ? 0.2506 0.4926 0.2889 -0.0147 0.0141 -0.0618 1070 PRO A CB +1364 C CG . PRO A 189 ? 0.2928 0.5274 0.3333 -0.0117 0.0156 -0.0613 1070 PRO A CG +1365 C CD . PRO A 189 ? 0.2294 0.4671 0.2713 -0.0057 0.0129 -0.0594 1070 PRO A CD +1366 N N . GLU A 190 ? 0.2421 0.4891 0.2857 -0.0236 0.0170 -0.0569 1071 GLU A N +1367 C CA . GLU A 190 ? 0.2515 0.4949 0.2939 -0.0338 0.0165 -0.0544 1071 GLU A CA +1368 C C . GLU A 190 ? 0.3072 0.5730 0.3528 -0.0393 0.0154 -0.0484 1071 GLU A C +1369 O O . GLU A 190 ? 0.3286 0.5963 0.3730 -0.0514 0.0135 -0.0457 1071 GLU A O +1370 C CB . GLU A 190 ? 0.2767 0.5001 0.3165 -0.0338 0.0171 -0.0536 1071 GLU A CB +1371 C CG . GLU A 190 ? 0.3507 0.5787 0.3937 -0.0287 0.0184 -0.0486 1071 GLU A CG +1372 C CD . GLU A 190 ? 0.4045 0.6328 0.4500 -0.0174 0.0199 -0.0513 1071 GLU A CD +1373 O OE1 . GLU A 190 ? 0.3488 0.5756 0.3940 -0.0144 0.0201 -0.0558 1071 GLU A OE1 +1374 O OE2 . GLU A 190 ? 0.3176 0.5490 0.3650 -0.0127 0.0204 -0.0482 1071 GLU A OE2 +1375 N N . CYS A 191 ? 0.2418 0.5259 0.2907 -0.0305 0.0158 -0.0465 1072 CYS A N +1376 C CA . CYS A 191 ? 0.2439 0.5581 0.2960 -0.0324 0.0152 -0.0413 1072 CYS A CA +1377 C C . CYS A 191 ? 0.2886 0.6220 0.3409 -0.0335 0.0132 -0.0436 1072 CYS A C +1378 O O . CYS A 191 ? 0.2783 0.6362 0.3333 -0.0423 0.0125 -0.0389 1072 CYS A O +1379 C CB . CYS A 191 ? 0.2404 0.5684 0.2938 -0.0188 0.0155 -0.0409 1072 CYS A CB +1380 S SG . CYS A 191 ? 0.2930 0.5986 0.3458 -0.0143 0.0173 -0.0400 1072 CYS A SG +1381 N N . LEU A 192 ? 0.2377 0.5614 0.2868 -0.0253 0.0118 -0.0500 1073 LEU A N +1382 C CA . LEU A 192 ? 0.2213 0.5598 0.2688 -0.0230 0.0091 -0.0528 1073 LEU A CA +1383 C C . LEU A 192 ? 0.2817 0.6133 0.3281 -0.0361 0.0089 -0.0540 1073 LEU A C +1384 O O . LEU A 192 ? 0.2866 0.6397 0.3341 -0.0411 0.0070 -0.0534 1073 LEU A O +1385 C CB . LEU A 192 ? 0.2121 0.5381 0.2542 -0.0094 0.0061 -0.0576 1073 LEU A CB +1386 C CG . LEU A 192 ? 0.2564 0.5798 0.2966 0.0043 0.0040 -0.0585 1073 LEU A CG +1387 C CD1 . LEU A 192 ? 0.2628 0.5648 0.2957 0.0122 -0.0006 -0.0618 1073 LEU A CD1 +1388 C CD2 . LEU A 192 ? 0.2262 0.5807 0.2668 0.0145 0.0017 -0.0583 1073 LEU A CD2 +1389 N N . LYS A 193 ? 0.2311 0.5347 0.2746 -0.0404 0.0102 -0.0564 1074 LYS A N +1390 C CA . LYS A 193 ? 0.2260 0.5180 0.2658 -0.0499 0.0092 -0.0598 1074 LYS A CA +1391 C C . LYS A 193 ? 0.2758 0.5618 0.3151 -0.0647 0.0074 -0.0567 1074 LYS A C +1392 O O . LYS A 193 ? 0.2474 0.5408 0.2855 -0.0754 0.0042 -0.0572 1074 LYS A O +1393 C CB . LYS A 193 ? 0.2367 0.5049 0.2721 -0.0446 0.0108 -0.0647 1074 LYS A CB +1394 C CG . LYS A 193 ? 0.3781 0.6367 0.4076 -0.0499 0.0095 -0.0703 1074 LYS A CG +1395 C CD . LYS A 193 ? 0.4664 0.7072 0.4918 -0.0440 0.0118 -0.0746 1074 LYS A CD +1396 C CE . LYS A 193 ? 0.5930 0.8262 0.6110 -0.0465 0.0103 -0.0815 1074 LYS A CE +1397 N NZ . LYS A 193 ? 0.7121 0.9588 0.7281 -0.0445 0.0102 -0.0828 1074 LYS A NZ +1398 N N . GLU A 194 ? 0.2438 0.5141 0.2828 -0.0659 0.0084 -0.0535 1075 GLU A N +1399 C CA . GLU A 194 ? 0.2501 0.5048 0.2851 -0.0800 0.0049 -0.0497 1075 GLU A CA +1400 C C . GLU A 194 ? 0.2839 0.5579 0.3234 -0.0894 0.0043 -0.0391 1075 GLU A C +1401 O O . GLU A 194 ? 0.3117 0.5723 0.3467 -0.1041 -0.0001 -0.0337 1075 GLU A O +1402 C CB . GLU A 194 ? 0.2802 0.5010 0.3088 -0.0747 0.0049 -0.0531 1075 GLU A CB +1403 C CG . GLU A 194 ? 0.4342 0.6401 0.4577 -0.0659 0.0055 -0.0633 1075 GLU A CG +1404 C CD . GLU A 194 ? 0.6289 0.8113 0.6475 -0.0564 0.0065 -0.0668 1075 GLU A CD +1405 O OE1 . GLU A 194 ? 0.6259 0.7840 0.6366 -0.0607 0.0019 -0.0667 1075 GLU A OE1 +1406 O OE2 . GLU A 194 ? 0.5189 0.7072 0.5409 -0.0449 0.0109 -0.0694 1075 GLU A OE2 +1407 N N . TYR A 195 ? 0.2137 0.5183 0.2602 -0.0807 0.0077 -0.0359 1076 TYR A N +1408 C CA . TYR A 195 ? 0.2110 0.5434 0.2622 -0.0869 0.0081 -0.0256 1076 TYR A CA +1409 C C . TYR A 195 ? 0.2613 0.5715 0.3090 -0.0916 0.0079 -0.0191 1076 TYR A C +1410 O O . TYR A 195 ? 0.2416 0.5578 0.2884 -0.1074 0.0052 -0.0086 1076 TYR A O +1411 C CB . TYR A 195 ? 0.2288 0.5902 0.2826 -0.1039 0.0048 -0.0197 1076 TYR A CB +1412 C CG . TYR A 195 ? 0.2337 0.6250 0.2914 -0.0949 0.0053 -0.0254 1076 TYR A CG +1413 C CD1 . TYR A 195 ? 0.2591 0.6377 0.3135 -0.0963 0.0030 -0.0331 1076 TYR A CD1 +1414 C CD2 . TYR A 195 ? 0.2323 0.6636 0.2953 -0.0823 0.0075 -0.0240 1076 TYR A CD2 +1415 C CE1 . TYR A 195 ? 0.2511 0.6548 0.3074 -0.0866 0.0028 -0.0379 1076 TYR A CE1 +1416 C CE2 . TYR A 195 ? 0.2396 0.6951 0.3037 -0.0711 0.0066 -0.0299 1076 TYR A CE2 +1417 C CZ . TYR A 195 ? 0.2925 0.7336 0.3534 -0.0740 0.0042 -0.0362 1076 TYR A CZ +1418 O OH . TYR A 195 ? 0.2919 0.7550 0.3524 -0.0621 0.0026 -0.0414 1076 TYR A OH +1419 N N . LYS A 196 ? 0.2449 0.5289 0.2899 -0.0784 0.0100 -0.0249 1077 LYS A N +1420 C CA . LYS A 196 ? 0.2600 0.5196 0.3007 -0.0780 0.0097 -0.0211 1077 LYS A CA +1421 C C . LYS A 196 ? 0.2911 0.5634 0.3363 -0.0625 0.0141 -0.0212 1077 LYS A C +1422 O O . LYS A 196 ? 0.2721 0.5484 0.3200 -0.0491 0.0162 -0.0289 1077 LYS A O +1423 C CB . LYS A 196 ? 0.3001 0.5203 0.3330 -0.0742 0.0077 -0.0295 1077 LYS A CB +1424 C CG . LYS A 196 ? 0.4896 0.6868 0.5136 -0.0891 0.0009 -0.0298 1077 LYS A CG +1425 C CD . LYS A 196 ? 0.6254 0.7876 0.6404 -0.0800 -0.0011 -0.0402 1077 LYS A CD +1426 C CE . LYS A 196 ? 0.7687 0.8994 0.7709 -0.0919 -0.0102 -0.0420 1077 LYS A CE +1427 N NZ . LYS A 196 ? 0.9067 1.0029 0.8978 -0.0789 -0.0129 -0.0517 1077 LYS A NZ +1428 N N . PHE A 197 ? 0.2469 0.5245 0.2918 -0.0650 0.0144 -0.0123 1078 PHE A N +1429 C CA . PHE A 197 ? 0.2241 0.5119 0.2719 -0.0503 0.0176 -0.0127 1078 PHE A CA +1430 C C . PHE A 197 ? 0.2751 0.5363 0.3176 -0.0499 0.0168 -0.0089 1078 PHE A C +1431 O O . PHE A 197 ? 0.2922 0.5527 0.3310 -0.0610 0.0148 0.0021 1078 PHE A O +1432 C CB . PHE A 197 ? 0.2322 0.5629 0.2849 -0.0481 0.0192 -0.0066 1078 PHE A CB +1433 C CG . PHE A 197 ? 0.2321 0.5736 0.2868 -0.0284 0.0209 -0.0129 1078 PHE A CG +1434 C CD1 . PHE A 197 ? 0.2548 0.6118 0.3112 -0.0166 0.0202 -0.0211 1078 PHE A CD1 +1435 C CD2 . PHE A 197 ? 0.2336 0.5653 0.2867 -0.0213 0.0218 -0.0113 1078 PHE A CD2 +1436 C CE1 . PHE A 197 ? 0.2553 0.6148 0.3107 0.0010 0.0192 -0.0276 1078 PHE A CE1 +1437 C CE2 . PHE A 197 ? 0.2548 0.5934 0.3086 -0.0042 0.0218 -0.0180 1078 PHE A CE2 +1438 C CZ . PHE A 197 ? 0.2284 0.5788 0.2828 0.0064 0.0200 -0.0262 1078 PHE A CZ +1439 N N . TYR A 198 ? 0.2187 0.4588 0.2600 -0.0380 0.0177 -0.0172 1079 TYR A N +1440 C CA . TYR A 198 ? 0.2213 0.4378 0.2576 -0.0327 0.0169 -0.0162 1079 TYR A CA +1441 C C . TYR A 198 ? 0.2719 0.5061 0.3126 -0.0208 0.0197 -0.0152 1079 TYR A C +1442 O O . TYR A 198 ? 0.2445 0.5024 0.2907 -0.0146 0.0213 -0.0184 1079 TYR A O +1443 C CB . TYR A 198 ? 0.2360 0.4298 0.2700 -0.0242 0.0169 -0.0270 1079 TYR A CB +1444 C CG . TYR A 198 ? 0.2867 0.4622 0.3151 -0.0314 0.0140 -0.0316 1079 TYR A CG +1445 C CD1 . TYR A 198 ? 0.3468 0.4919 0.3642 -0.0364 0.0086 -0.0303 1079 TYR A CD1 +1446 C CD2 . TYR A 198 ? 0.2906 0.4759 0.3228 -0.0312 0.0154 -0.0385 1079 TYR A CD2 +1447 C CE1 . TYR A 198 ? 0.3694 0.4954 0.3797 -0.0411 0.0046 -0.0367 1079 TYR A CE1 +1448 C CE2 . TYR A 198 ? 0.3110 0.4808 0.3374 -0.0364 0.0126 -0.0438 1079 TYR A CE2 +1449 C CZ . TYR A 198 ? 0.4506 0.5912 0.4660 -0.0410 0.0071 -0.0436 1079 TYR A CZ +1450 O OH . TYR A 198 ? 0.5071 0.6312 0.5150 -0.0449 0.0030 -0.0504 1079 TYR A OH +1451 N N . TYR A 199 ? 0.2538 0.4742 0.2907 -0.0156 0.0191 -0.0125 1080 TYR A N +1452 C CA . TYR A 199 ? 0.2386 0.4731 0.2789 -0.0032 0.0209 -0.0133 1080 TYR A CA +1453 C C . TYR A 199 ? 0.2615 0.4973 0.3068 0.0068 0.0219 -0.0248 1080 TYR A C +1454 O O . TYR A 199 ? 0.2635 0.5162 0.3124 0.0146 0.0220 -0.0277 1080 TYR A O +1455 C CB . TYR A 199 ? 0.2625 0.4792 0.2969 0.0011 0.0196 -0.0092 1080 TYR A CB +1456 C CG . TYR A 199 ? 0.2872 0.5000 0.3147 -0.0097 0.0172 0.0044 1080 TYR A CG +1457 C CD1 . TYR A 199 ? 0.3067 0.5485 0.3361 -0.0120 0.0187 0.0135 1080 TYR A CD1 +1458 C CD2 . TYR A 199 ? 0.3222 0.5017 0.3392 -0.0171 0.0124 0.0085 1080 TYR A CD2 +1459 C CE1 . TYR A 199 ? 0.3343 0.5753 0.3568 -0.0242 0.0163 0.0285 1080 TYR A CE1 +1460 C CE2 . TYR A 199 ? 0.3562 0.5277 0.3646 -0.0295 0.0083 0.0229 1080 TYR A CE2 +1461 C CZ . TYR A 199 ? 0.4637 0.6676 0.4756 -0.0344 0.0107 0.0340 1080 TYR A CZ +1462 O OH . TYR A 199 ? 0.5195 0.7182 0.5225 -0.0492 0.0065 0.0506 1080 TYR A OH +1463 N N . ALA A 200 ? 0.2029 0.4217 0.2472 0.0055 0.0217 -0.0309 1081 ALA A N +1464 C CA . ALA A 200 ? 0.1885 0.4090 0.2367 0.0109 0.0222 -0.0394 1081 ALA A CA +1465 C C . ALA A 200 ? 0.2296 0.4650 0.2807 0.0093 0.0215 -0.0416 1081 ALA A C +1466 O O . ALA A 200 ? 0.2414 0.4797 0.2945 0.0143 0.0202 -0.0464 1081 ALA A O +1467 C CB . ALA A 200 ? 0.1989 0.4027 0.2440 0.0096 0.0223 -0.0443 1081 ALA A CB +1468 N N . SER A 201 ? 0.1811 0.4261 0.2316 0.0024 0.0214 -0.0375 1082 SER A N +1469 C CA . SER A 201 ? 0.1694 0.4311 0.2214 0.0037 0.0202 -0.0399 1082 SER A CA +1470 C C . SER A 201 ? 0.2099 0.4875 0.2625 0.0148 0.0183 -0.0410 1082 SER A C +1471 O O . SER A 201 ? 0.2110 0.4908 0.2624 0.0215 0.0149 -0.0466 1082 SER A O +1472 C CB . SER A 201 ? 0.1976 0.4715 0.2494 -0.0063 0.0204 -0.0351 1082 SER A CB +1473 O OG . SER A 201 ? 0.2325 0.4881 0.2817 -0.0168 0.0205 -0.0343 1082 SER A OG +1474 N N . ASP A 202 ? 0.1668 0.4524 0.2193 0.0174 0.0193 -0.0360 1083 ASP A N +1475 C CA . ASP A 202 ? 0.1712 0.4716 0.2228 0.0295 0.0171 -0.0381 1083 ASP A CA +1476 C C . ASP A 202 ? 0.2374 0.5223 0.2885 0.0370 0.0137 -0.0452 1083 ASP A C +1477 O O . ASP A 202 ? 0.2400 0.5305 0.2883 0.0470 0.0088 -0.0505 1083 ASP A O +1478 C CB . ASP A 202 ? 0.1958 0.5084 0.2469 0.0294 0.0193 -0.0300 1083 ASP A CB +1479 C CG . ASP A 202 ? 0.3156 0.6595 0.3665 0.0272 0.0205 -0.0233 1083 ASP A CG +1480 O OD1 . ASP A 202 ? 0.3155 0.6773 0.3662 0.0326 0.0187 -0.0278 1083 ASP A OD1 +1481 O OD2 . ASP A 202 ? 0.3920 0.7447 0.4420 0.0208 0.0226 -0.0132 1083 ASP A OD2 +1482 N N . VAL A 203 ? 0.1935 0.4599 0.2465 0.0321 0.0154 -0.0457 1084 VAL A N +1483 C CA . VAL A 203 ? 0.1869 0.4433 0.2407 0.0356 0.0125 -0.0507 1084 VAL A CA +1484 C C . VAL A 203 ? 0.2409 0.4918 0.2927 0.0347 0.0079 -0.0554 1084 VAL A C +1485 O O . VAL A 203 ? 0.2382 0.4849 0.2876 0.0389 0.0018 -0.0593 1084 VAL A O +1486 C CB . VAL A 203 ? 0.2174 0.4631 0.2735 0.0322 0.0158 -0.0496 1084 VAL A CB +1487 C CG1 . VAL A 203 ? 0.2084 0.4509 0.2666 0.0329 0.0130 -0.0538 1084 VAL A CG1 +1488 C CG2 . VAL A 203 ? 0.2065 0.4536 0.2618 0.0356 0.0179 -0.0449 1084 VAL A CG2 +1489 N N . TRP A 204 ? 0.2070 0.4565 0.2584 0.0287 0.0096 -0.0548 1085 TRP A N +1490 C CA . TRP A 204 ? 0.2063 0.4502 0.2543 0.0278 0.0051 -0.0581 1085 TRP A CA +1491 C C . TRP A 204 ? 0.2545 0.5037 0.2966 0.0383 -0.0019 -0.0616 1085 TRP A C +1492 O O . TRP A 204 ? 0.2591 0.4960 0.2957 0.0412 -0.0096 -0.0652 1085 TRP A O +1493 C CB . TRP A 204 ? 0.1857 0.4306 0.2340 0.0206 0.0084 -0.0568 1085 TRP A CB +1494 C CG . TRP A 204 ? 0.1971 0.4377 0.2406 0.0208 0.0035 -0.0592 1085 TRP A CG +1495 C CD1 . TRP A 204 ? 0.2394 0.4848 0.2774 0.0291 -0.0025 -0.0618 1085 TRP A CD1 +1496 C CD2 . TRP A 204 ? 0.1977 0.4293 0.2401 0.0136 0.0034 -0.0591 1085 TRP A CD2 +1497 N NE1 . TRP A 204 ? 0.2459 0.4815 0.2785 0.0274 -0.0070 -0.0629 1085 TRP A NE1 +1498 C CE2 . TRP A 204 ? 0.2590 0.4872 0.2947 0.0167 -0.0031 -0.0606 1085 TRP A CE2 +1499 C CE3 . TRP A 204 ? 0.2111 0.4391 0.2564 0.0062 0.0080 -0.0582 1085 TRP A CE3 +1500 C CZ2 . TRP A 204 ? 0.2531 0.4733 0.2851 0.0107 -0.0050 -0.0595 1085 TRP A CZ2 +1501 C CZ3 . TRP A 204 ? 0.2361 0.4605 0.2786 0.0007 0.0067 -0.0578 1085 TRP A CZ3 +1502 C CH2 . TRP A 204 ? 0.2543 0.4743 0.2903 0.0019 0.0004 -0.0577 1085 TRP A CH2 +1503 N N . SER A 205 ? 0.2235 0.4914 0.2656 0.0442 -0.0001 -0.0605 1086 SER A N +1504 C CA . SER A 205 ? 0.2234 0.5029 0.2589 0.0582 -0.0064 -0.0651 1086 SER A CA +1505 C C . SER A 205 ? 0.2585 0.5291 0.2899 0.0666 -0.0127 -0.0695 1086 SER A C +1506 O O . SER A 205 ? 0.2630 0.5258 0.2851 0.0772 -0.0225 -0.0762 1086 SER A O +1507 C CB . SER A 205 ? 0.2333 0.5428 0.2710 0.0613 -0.0017 -0.0612 1086 SER A CB +1508 O OG . SER A 205 ? 0.2525 0.5702 0.2945 0.0505 0.0034 -0.0564 1086 SER A OG +1509 N N . PHE A 206 ? 0.2067 0.4762 0.2436 0.0621 -0.0083 -0.0662 1087 PHE A N +1510 C CA . PHE A 206 ? 0.2197 0.4820 0.2539 0.0681 -0.0142 -0.0701 1087 PHE A CA +1511 C C . PHE A 206 ? 0.2861 0.5246 0.3160 0.0637 -0.0227 -0.0737 1087 PHE A C +1512 O O . PHE A 206 ? 0.2964 0.5248 0.3180 0.0713 -0.0331 -0.0797 1087 PHE A O +1513 C CB . PHE A 206 ? 0.2439 0.5107 0.2849 0.0642 -0.0079 -0.0653 1087 PHE A CB +1514 C CG . PHE A 206 ? 0.2749 0.5330 0.3145 0.0667 -0.0141 -0.0692 1087 PHE A CG +1515 C CD1 . PHE A 206 ? 0.3235 0.5864 0.3565 0.0790 -0.0214 -0.0748 1087 PHE A CD1 +1516 C CD2 . PHE A 206 ? 0.2952 0.5424 0.3395 0.0570 -0.0139 -0.0679 1087 PHE A CD2 +1517 C CE1 . PHE A 206 ? 0.3435 0.5965 0.3743 0.0799 -0.0290 -0.0790 1087 PHE A CE1 +1518 C CE2 . PHE A 206 ? 0.3344 0.5765 0.3779 0.0571 -0.0209 -0.0710 1087 PHE A CE2 +1519 C CZ . PHE A 206 ? 0.3232 0.5663 0.3599 0.0677 -0.0288 -0.0765 1087 PHE A CZ +1520 N N . GLY A 207 ? 0.2466 0.4767 0.2809 0.0513 -0.0190 -0.0699 1088 GLY A N +1521 C CA . GLY A 207 ? 0.2524 0.4637 0.2831 0.0433 -0.0261 -0.0703 1088 GLY A CA +1522 C C . GLY A 207 ? 0.3044 0.5007 0.3226 0.0499 -0.0376 -0.0749 1088 GLY A C +1523 O O . GLY A 207 ? 0.3230 0.4994 0.3331 0.0479 -0.0490 -0.0769 1088 GLY A O +1524 N N . VAL A 208 ? 0.2549 0.4608 0.2704 0.0579 -0.0356 -0.0765 1089 VAL A N +1525 C CA . VAL A 208 ? 0.2646 0.4601 0.2668 0.0691 -0.0465 -0.0820 1089 VAL A CA +1526 C C . VAL A 208 ? 0.3214 0.5155 0.3140 0.0859 -0.0561 -0.0900 1089 VAL A C +1527 O O . VAL A 208 ? 0.3524 0.5218 0.3303 0.0929 -0.0707 -0.0958 1089 VAL A O +1528 C CB . VAL A 208 ? 0.3014 0.5151 0.3049 0.0732 -0.0408 -0.0812 1089 VAL A CB +1529 C CG1 . VAL A 208 ? 0.3174 0.5196 0.3058 0.0867 -0.0530 -0.0874 1089 VAL A CG1 +1530 C CG2 . VAL A 208 ? 0.2755 0.4906 0.2879 0.0571 -0.0316 -0.0744 1089 VAL A CG2 +1531 N N . THR A 209 ? 0.2531 0.4717 0.2521 0.0924 -0.0491 -0.0903 1090 THR A N +1532 C CA . THR A 209 ? 0.2579 0.4806 0.2481 0.1093 -0.0570 -0.0983 1090 THR A CA +1533 C C . THR A 209 ? 0.3151 0.5097 0.2999 0.1044 -0.0678 -0.1012 1090 THR A C +1534 O O . THR A 209 ? 0.3313 0.5086 0.3011 0.1170 -0.0824 -0.1102 1090 THR A O +1535 C CB . THR A 209 ? 0.3528 0.6101 0.3520 0.1137 -0.0459 -0.0951 1090 THR A CB +1536 O OG1 . THR A 209 ? 0.3647 0.6473 0.3696 0.1128 -0.0367 -0.0902 1090 THR A OG1 +1537 C CG2 . THR A 209 ? 0.3345 0.6031 0.3239 0.1336 -0.0533 -0.1036 1090 THR A CG2 +1538 N N . LEU A 210 ? 0.2541 0.4444 0.2499 0.0863 -0.0617 -0.0939 1091 LEU A N +1539 C CA . LEU A 210 ? 0.2586 0.4286 0.2522 0.0769 -0.0707 -0.0943 1091 LEU A CA +1540 C C . LEU A 210 ? 0.3409 0.4771 0.3206 0.0723 -0.0859 -0.0960 1091 LEU A C +1541 O O . LEU A 210 ? 0.3479 0.4610 0.3160 0.0732 -0.1012 -0.1010 1091 LEU A O +1542 C CB . LEU A 210 ? 0.2291 0.4101 0.2385 0.0599 -0.0592 -0.0856 1091 LEU A CB +1543 C CG . LEU A 210 ? 0.2830 0.4533 0.2938 0.0467 -0.0662 -0.0836 1091 LEU A CG +1544 C CD1 . LEU A 210 ? 0.2963 0.4633 0.3009 0.0556 -0.0760 -0.0906 1091 LEU A CD1 +1545 C CD2 . LEU A 210 ? 0.2620 0.4517 0.2883 0.0351 -0.0532 -0.0762 1091 LEU A CD2 +1546 N N . TYR A 211 ? 0.3133 0.4452 0.2924 0.0673 -0.0830 -0.0919 1092 TYR A N +1547 C CA . TYR A 211 ? 0.3350 0.4344 0.2990 0.0639 -0.0975 -0.0921 1092 TYR A CA +1548 C C . TYR A 211 ? 0.4094 0.4908 0.3534 0.0862 -0.1134 -0.1038 1092 TYR A C +1549 O O . TYR A 211 ? 0.4416 0.4869 0.3689 0.0851 -0.1318 -0.1070 1092 TYR A O +1550 C CB . TYR A 211 ? 0.3366 0.4411 0.3042 0.0576 -0.0897 -0.0860 1092 TYR A CB +1551 C CG . TYR A 211 ? 0.3879 0.4611 0.3370 0.0607 -0.1048 -0.0872 1092 TYR A CG +1552 C CD1 . TYR A 211 ? 0.4249 0.4699 0.3666 0.0429 -0.1150 -0.0801 1092 TYR A CD1 +1553 C CD2 . TYR A 211 ? 0.4084 0.4816 0.3463 0.0815 -0.1096 -0.0948 1092 TYR A CD2 +1554 C CE1 . TYR A 211 ? 0.4522 0.4634 0.3741 0.0455 -0.1308 -0.0802 1092 TYR A CE1 +1555 C CE2 . TYR A 211 ? 0.4496 0.4911 0.3679 0.0870 -0.1251 -0.0966 1092 TYR A CE2 +1556 C CZ . TYR A 211 ? 0.5636 0.5713 0.4734 0.0686 -0.1360 -0.0889 1092 TYR A CZ +1557 O OH . TYR A 211 ? 0.6420 0.6142 0.5303 0.0733 -0.1527 -0.0893 1092 TYR A OH +1558 N N . GLU A 212 ? 0.3549 0.4624 0.2997 0.1061 -0.1072 -0.1101 1093 GLU A N +1559 C CA . GLU A 212 ? 0.3691 0.4698 0.2954 0.1322 -0.1206 -0.1229 1093 GLU A CA +1560 C C . GLU A 212 ? 0.4515 0.5337 0.3671 0.1385 -0.1343 -0.1310 1093 GLU A C +1561 O O . GLU A 212 ? 0.5047 0.5530 0.3980 0.1508 -0.1543 -0.1403 1093 GLU A O +1562 C CB . GLU A 212 ? 0.3563 0.5010 0.2892 0.1497 -0.1087 -0.1260 1093 GLU A CB +1563 C CG . GLU A 212 ? 0.3494 0.5104 0.2872 0.1487 -0.1002 -0.1213 1093 GLU A CG +1564 C CD . GLU A 212 ? 0.4506 0.6566 0.3923 0.1660 -0.0918 -0.1245 1093 GLU A CD +1565 O OE1 . GLU A 212 ? 0.2008 0.4393 0.1594 0.1571 -0.0761 -0.1172 1093 GLU A OE1 +1566 O OE2 . GLU A 212 ? 0.3969 0.6062 0.3233 0.1893 -0.1020 -0.1343 1093 GLU A OE2 +1567 N N . LEU A 213 ? 0.3929 0.4947 0.3225 0.1306 -0.1251 -0.1280 1094 LEU A N +1568 C CA . LEU A 213 ? 0.4098 0.4981 0.3311 0.1350 -0.1371 -0.1354 1094 LEU A CA +1569 C C . LEU A 213 ? 0.4836 0.5254 0.3927 0.1192 -0.1556 -0.1345 1094 LEU A C +1570 O O . LEU A 213 ? 0.5088 0.5214 0.3985 0.1290 -0.1753 -0.1448 1094 LEU A O +1571 C CB . LEU A 213 ? 0.3876 0.5075 0.3275 0.1277 -0.1227 -0.1304 1094 LEU A CB +1572 C CG . LEU A 213 ? 0.4281 0.5934 0.3802 0.1387 -0.1048 -0.1282 1094 LEU A CG +1573 C CD1 . LEU A 213 ? 0.3946 0.5813 0.3642 0.1266 -0.0917 -0.1202 1094 LEU A CD1 +1574 C CD2 . LEU A 213 ? 0.4918 0.6714 0.4305 0.1662 -0.1116 -0.1402 1094 LEU A CD2 +1575 N N . LEU A 214 ? 0.4383 0.4740 0.3576 0.0943 -0.1500 -0.1219 1095 LEU A N +1576 C CA . LEU A 214 ? 0.4663 0.4641 0.3763 0.0737 -0.1657 -0.1168 1095 LEU A CA +1577 C C . LEU A 214 ? 0.5385 0.4908 0.4232 0.0795 -0.1861 -0.1205 1095 LEU A C +1578 O O . LEU A 214 ? 0.5638 0.4757 0.4333 0.0666 -0.2058 -0.1192 1095 LEU A O +1579 C CB . LEU A 214 ? 0.4424 0.4576 0.3726 0.0458 -0.1519 -0.1016 1095 LEU A CB +1580 C CG . LEU A 214 ? 0.4839 0.5222 0.4302 0.0327 -0.1449 -0.0977 1095 LEU A CG +1581 C CD1 . LEU A 214 ? 0.5185 0.5278 0.4525 0.0218 -0.1656 -0.0997 1095 LEU A CD1 +1582 C CD2 . LEU A 214 ? 0.4627 0.5367 0.4212 0.0494 -0.1301 -0.1029 1095 LEU A CD2 +1583 N N . THR A 215 ? 0.4764 0.4345 0.3547 0.0998 -0.1831 -0.1256 1096 THR A N +1584 C CA . THR A 215 ? 0.5210 0.4375 0.3729 0.1124 -0.2031 -0.1315 1096 THR A CA +1585 C C . THR A 215 ? 0.6259 0.5278 0.4559 0.1434 -0.2197 -0.1499 1096 THR A C +1586 O O . THR A 215 ? 0.6651 0.5294 0.4689 0.1600 -0.2396 -0.1583 1096 THR A O +1587 C CB . THR A 215 ? 0.6015 0.5361 0.4571 0.1208 -0.1920 -0.1285 1096 THR A CB +1588 O OG1 . THR A 215 ? 0.5753 0.5568 0.4427 0.1410 -0.1763 -0.1349 1096 THR A OG1 +1589 C CG2 . THR A 215 ? 0.5465 0.4912 0.4190 0.0932 -0.1783 -0.1121 1096 THR A CG2 +1590 N N . HIS A 216 ? 0.5611 0.4939 0.4010 0.1528 -0.2119 -0.1564 1097 HIS A N +1591 C CA . HIS A 216 ? 0.5804 0.5137 0.4036 0.1835 -0.2234 -0.1741 1097 HIS A CA +1592 C C . HIS A 216 ? 0.6539 0.6111 0.4704 0.2136 -0.2194 -0.1824 1097 HIS A C +1593 O O . HIS A 216 ? 0.6869 0.6290 0.4791 0.2433 -0.2364 -0.1984 1097 HIS A O +1594 C CB . HIS A 216 ? 0.6429 0.5160 0.4366 0.1867 -0.2542 -0.1843 1097 HIS A CB +1595 C CG . HIS A 216 ? 0.6858 0.5413 0.4863 0.1566 -0.2591 -0.1762 1097 HIS A CG +1596 N ND1 . HIS A 216 ? 0.7098 0.5672 0.5073 0.1617 -0.2662 -0.1853 1097 HIS A ND1 +1597 C CD2 . HIS A 216 ? 0.7006 0.5412 0.5105 0.1221 -0.2580 -0.1600 1097 HIS A CD2 +1598 C CE1 . HIS A 216 ? 0.7049 0.5484 0.5107 0.1297 -0.2695 -0.1744 1097 HIS A CE1 +1599 N NE2 . HIS A 216 ? 0.7035 0.5388 0.5173 0.1050 -0.2643 -0.1587 1097 HIS A NE2 +1600 N N . CYS A 217 ? 0.5927 0.5889 0.4305 0.2058 -0.1973 -0.1716 1098 CYS A N +1601 C CA . CYS A 217 ? 0.5883 0.6158 0.4255 0.2272 -0.1899 -0.1753 1098 CYS A CA +1602 C C . CYS A 217 ? 0.7038 0.6933 0.5128 0.2471 -0.2110 -0.1847 1098 CYS A C +1603 O O . CYS A 217 ? 0.7195 0.7288 0.5166 0.2784 -0.2150 -0.1967 1098 CYS A O +1604 C CB . CYS A 217 ? 0.5725 0.6533 0.4168 0.2487 -0.1790 -0.1825 1098 CYS A CB +1605 S SG . CYS A 217 ? 0.5648 0.6976 0.4441 0.2253 -0.1498 -0.1671 1098 CYS A SG +1606 N N . ASP A 218 ? 0.7040 0.6396 0.5013 0.2289 -0.2253 -0.1787 1099 ASP A N +1607 C CA . ASP A 218 ? 0.7632 0.6523 0.5317 0.2434 -0.2473 -0.1847 1099 ASP A CA +1608 C C . ASP A 218 ? 0.8228 0.7413 0.6007 0.2464 -0.2337 -0.1784 1099 ASP A C +1609 O O . ASP A 218 ? 0.7976 0.7343 0.5982 0.2195 -0.2160 -0.1630 1099 ASP A O +1610 C CB . ASP A 218 ? 0.8221 0.6471 0.5771 0.2165 -0.2655 -0.1761 1099 ASP A CB +1611 C CG . ASP A 218 ? 1.0013 0.7673 0.7239 0.2257 -0.2909 -0.1790 1099 ASP A CG +1612 O OD1 . ASP A 218 ? 1.0101 0.7821 0.7179 0.2577 -0.2963 -0.1901 1099 ASP A OD1 +1613 O OD2 . ASP A 218 ? 1.1139 0.8292 0.8255 0.2006 -0.3057 -0.1693 1099 ASP A OD2 +1614 N N . SER A 219 ? 0.8113 0.7377 0.5717 0.2806 -0.2422 -0.1910 1100 SER A N +1615 C CA . SER A 219 ? 0.7960 0.7532 0.5623 0.2886 -0.2320 -0.1876 1100 SER A CA +1616 C C . SER A 219 ? 0.8531 0.7723 0.6152 0.2670 -0.2367 -0.1749 1100 SER A C +1617 O O . SER A 219 ? 0.8222 0.7737 0.6017 0.2569 -0.2201 -0.1654 1100 SER A O +1618 C CB . SER A 219 ? 0.8860 0.8532 0.6292 0.3322 -0.2453 -0.2054 1100 SER A CB +1619 O OG . SER A 219 ? 1.0024 1.0386 0.7614 0.3487 -0.2290 -0.2111 1100 SER A OG +1620 N N . SER A 220 ? 0.8630 0.7142 0.6013 0.2587 -0.2599 -0.1740 1101 SER A N +1621 C CA . SER A 220 ? 0.8807 0.6915 0.6118 0.2360 -0.2669 -0.1601 1101 SER A CA +1622 C C . SER A 220 ? 0.8794 0.7146 0.6414 0.1966 -0.2446 -0.1413 1101 SER A C +1623 O O . SER A 220 ? 0.8871 0.7139 0.6511 0.1796 -0.2417 -0.1289 1101 SER A O +1624 C CB . SER A 220 ? 0.9928 0.7255 0.6908 0.2330 -0.2981 -0.1621 1101 SER A CB +1625 O OG . SER A 220 ? 1.1267 0.8423 0.8317 0.2064 -0.2999 -0.1562 1101 SER A OG +1626 N N . GLN A 221 ? 0.7797 0.6455 0.5642 0.1842 -0.2296 -0.1398 1102 GLN A N +1627 C CA . GLN A 221 ? 0.7190 0.6103 0.5321 0.1510 -0.2091 -0.1247 1102 GLN A CA +1628 C C . GLN A 221 ? 0.6864 0.6428 0.5281 0.1536 -0.1821 -0.1242 1102 GLN A C +1629 O O . GLN A 221 ? 0.6442 0.6227 0.5086 0.1302 -0.1654 -0.1140 1102 GLN A O +1630 C CB . GLN A 221 ? 0.7419 0.6108 0.5559 0.1320 -0.2160 -0.1219 1102 GLN A CB +1631 C CG . GLN A 221 ? 0.9659 0.7694 0.7534 0.1202 -0.2427 -0.1184 1102 GLN A CG +1632 C CD . GLN A 221 ? 1.2366 1.0254 1.0272 0.0997 -0.2489 -0.1155 1102 GLN A CD +1633 O OE1 . GLN A 221 ? 1.1538 0.9319 0.9506 0.0680 -0.2491 -0.1007 1102 GLN A OE1 +1634 N NE2 . GLN A 221 ? 1.1762 0.9676 0.9624 0.1175 -0.2543 -0.1294 1102 GLN A NE2 +1635 N N . SER A 222 ? 0.6217 0.6092 0.4617 0.1811 -0.1787 -0.1346 1103 SER A N +1636 C CA . SER A 222 ? 0.5752 0.6231 0.4400 0.1821 -0.1555 -0.1329 1103 SER A CA +1637 C C . SER A 222 ? 0.6227 0.6923 0.5073 0.1598 -0.1378 -0.1198 1103 SER A C +1638 O O . SER A 222 ? 0.6423 0.6906 0.5183 0.1546 -0.1437 -0.1152 1103 SER A O +1639 C CB . SER A 222 ? 0.6206 0.7004 0.4778 0.2147 -0.1571 -0.1452 1103 SER A CB +1640 O OG . SER A 222 ? 0.7688 0.8483 0.6164 0.2256 -0.1617 -0.1460 1103 SER A OG +1641 N N . PRO A 223 ? 0.5370 0.6470 0.4461 0.1474 -0.1173 -0.1141 1104 PRO A N +1642 C CA . PRO A 223 ? 0.5109 0.6386 0.4365 0.1278 -0.1022 -0.1035 1104 PRO A CA +1643 C C . PRO A 223 ? 0.5836 0.7247 0.5057 0.1356 -0.1015 -0.1036 1104 PRO A C +1644 O O . PRO A 223 ? 0.5804 0.7086 0.5037 0.1203 -0.0999 -0.0960 1104 PRO A O +1645 C CB . PRO A 223 ? 0.4937 0.6586 0.4408 0.1195 -0.0844 -0.1002 1104 PRO A CB +1646 C CG . PRO A 223 ? 0.5485 0.7044 0.4917 0.1259 -0.0903 -0.1054 1104 PRO A CG +1647 C CD . PRO A 223 ? 0.5279 0.6655 0.4487 0.1504 -0.1084 -0.1166 1104 PRO A CD +1648 N N . PRO A 224 ? 0.5572 0.7261 0.4744 0.1589 -0.1031 -0.1116 1105 PRO A N +1649 C CA . PRO A 224 ? 0.5558 0.7383 0.4697 0.1653 -0.1032 -0.1113 1105 PRO A CA +1650 C C . PRO A 224 ? 0.6352 0.7711 0.5272 0.1697 -0.1205 -0.1118 1105 PRO A C +1651 O O . PRO A 224 ? 0.6452 0.7774 0.5384 0.1590 -0.1181 -0.1051 1105 PRO A O +1652 C CB . PRO A 224 ? 0.5770 0.8000 0.4879 0.1919 -0.1040 -0.1208 1105 PRO A CB +1653 C CG . PRO A 224 ? 0.6143 0.8557 0.5345 0.1921 -0.0975 -0.1225 1105 PRO A CG +1654 C CD . PRO A 224 ? 0.5740 0.7677 0.4881 0.1811 -0.1051 -0.1213 1105 PRO A CD +1655 N N . THR A 225 ? 0.6062 0.7037 0.4773 0.1836 -0.1387 -0.1190 1106 THR A N +1656 C CA . THR A 225 ? 0.6385 0.6820 0.4838 0.1884 -0.1596 -0.1194 1106 THR A CA +1657 C C . THR A 225 ? 0.6724 0.6859 0.5216 0.1566 -0.1582 -0.1053 1106 THR A C +1658 O O . THR A 225 ? 0.6718 0.6663 0.5112 0.1517 -0.1640 -0.0992 1106 THR A O +1659 C CB . THR A 225 ? 0.7423 0.7522 0.5644 0.2101 -0.1799 -0.1316 1106 THR A CB +1660 O OG1 . THR A 225 ? 0.7301 0.7799 0.5520 0.2392 -0.1778 -0.1444 1106 THR A OG1 +1661 C CG2 . THR A 225 ? 0.7646 0.7162 0.5549 0.2206 -0.2050 -0.1340 1106 THR A CG2 +1662 N N . LYS A 226 ? 0.6210 0.6347 0.4845 0.1358 -0.1502 -0.0998 1107 LYS A N +1663 C CA . LYS A 226 ? 0.6180 0.6123 0.4869 0.1060 -0.1478 -0.0865 1107 LYS A CA +1664 C C . LYS A 226 ? 0.6645 0.6878 0.5506 0.0898 -0.1306 -0.0773 1107 LYS A C +1665 O O . LYS A 226 ? 0.6735 0.6776 0.5540 0.0742 -0.1343 -0.0675 1107 LYS A O +1666 C CB . LYS A 226 ? 0.6338 0.6228 0.5116 0.0912 -0.1458 -0.0844 1107 LYS A CB +1667 C CG . LYS A 226 ? 0.7217 0.6610 0.5765 0.0939 -0.1690 -0.0876 1107 LYS A CG +1668 C CD . LYS A 226 ? 0.7939 0.6949 0.6374 0.0701 -0.1804 -0.0745 1107 LYS A CD +1669 C CE . LYS A 226 ? 0.9828 0.8287 0.8001 0.0716 -0.2066 -0.0771 1107 LYS A CE +1670 N NZ . LYS A 226 ? 1.1217 0.9287 0.9245 0.0484 -0.2200 -0.0625 1107 LYS A NZ +1671 N N . PHE A 227 ? 0.6070 0.6757 0.5126 0.0930 -0.1130 -0.0800 1108 PHE A N +1672 C CA . PHE A 227 ? 0.5930 0.6879 0.5134 0.0792 -0.0979 -0.0732 1108 PHE A CA +1673 C C . PHE A 227 ? 0.6925 0.7817 0.6008 0.0855 -0.1042 -0.0718 1108 PHE A C +1674 O O . PHE A 227 ? 0.6844 0.7751 0.5965 0.0697 -0.0988 -0.0636 1108 PHE A O +1675 C CB . PHE A 227 ? 0.5790 0.7179 0.5196 0.0803 -0.0809 -0.0761 1108 PHE A CB +1676 C CG . PHE A 227 ? 0.5749 0.7227 0.5320 0.0638 -0.0691 -0.0720 1108 PHE A CG +1677 C CD1 . PHE A 227 ? 0.5992 0.7437 0.5634 0.0438 -0.0624 -0.0640 1108 PHE A CD1 +1678 C CD2 . PHE A 227 ? 0.5833 0.7458 0.5481 0.0699 -0.0646 -0.0764 1108 PHE A CD2 +1679 C CE1 . PHE A 227 ? 0.5869 0.7405 0.5648 0.0319 -0.0525 -0.0614 1108 PHE A CE1 +1680 C CE2 . PHE A 227 ? 0.5990 0.7686 0.5776 0.0565 -0.0547 -0.0727 1108 PHE A CE2 +1681 C CZ . PHE A 227 ? 0.5646 0.7292 0.5494 0.0384 -0.0489 -0.0657 1108 PHE A CZ +1682 N N . LEU A 228 ? 0.7009 0.7845 0.5933 0.1099 -0.1163 -0.0802 1109 LEU A N +1683 C CA . LEU A 228 ? 0.7348 0.8105 0.6125 0.1199 -0.1249 -0.0798 1109 LEU A CA +1684 C C . LEU A 228 ? 0.8740 0.8995 0.7326 0.1088 -0.1399 -0.0711 1109 LEU A C +1685 O O . LEU A 228 ? 0.8717 0.8933 0.7262 0.1006 -0.1401 -0.0635 1109 LEU A O +1686 C CB . LEU A 228 ? 0.7549 0.8376 0.6185 0.1523 -0.1358 -0.0921 1109 LEU A CB +1687 C CG . LEU A 228 ? 0.7829 0.9218 0.6631 0.1645 -0.1228 -0.0994 1109 LEU A CG +1688 C CD1 . LEU A 228 ? 0.8072 0.9506 0.6712 0.1978 -0.1356 -0.1124 1109 LEU A CD1 +1689 C CD2 . LEU A 228 ? 0.7845 0.9617 0.6775 0.1583 -0.1108 -0.0958 1109 LEU A CD2 +1690 N N . GLU A 229 ? 0.9013 0.8896 0.7485 0.1065 -0.1526 -0.0713 1110 GLU A N +1691 C CA . GLU A 229 ? 0.9584 0.8962 0.7865 0.0922 -0.1691 -0.0616 1110 GLU A CA +1692 C C . GLU A 229 ? 1.0433 0.9904 0.8856 0.0604 -0.1573 -0.0467 1110 GLU A C +1693 O O . GLU A 229 ? 1.0646 0.9828 0.8927 0.0468 -0.1675 -0.0353 1110 GLU A O +1694 C CB . GLU A 229 ? 1.0012 0.9043 0.8177 0.0945 -0.1837 -0.0660 1110 GLU A CB +1695 C CG . GLU A 229 ? 1.1584 1.0379 0.9516 0.1270 -0.2022 -0.0806 1110 GLU A CG +1696 C CD . GLU A 229 ? 1.4066 1.2586 1.1907 0.1313 -0.2148 -0.0879 1110 GLU A CD +1697 O OE1 . GLU A 229 ? 1.2911 1.1445 1.0646 0.1607 -0.2226 -0.1031 1110 GLU A OE1 +1698 O OE2 . GLU A 229 ? 1.3495 1.1781 1.1346 0.1061 -0.2186 -0.0785 1110 GLU A OE2 +1699 N N . LEU A 230 ? 0.9967 0.9840 0.8655 0.0493 -0.1367 -0.0466 1111 LEU A N +1700 C CA . LEU A 230 ? 0.9896 0.9943 0.8736 0.0233 -0.1235 -0.0352 1111 LEU A CA +1701 C C . LEU A 230 ? 1.0655 1.0816 0.9481 0.0174 -0.1188 -0.0283 1111 LEU A C +1702 O O . LEU A 230 ? 1.0576 1.0803 0.9452 -0.0032 -0.1132 -0.0174 1111 LEU A O +1703 C CB . LEU A 230 ? 0.9507 0.9934 0.8601 0.0188 -0.1044 -0.0394 1111 LEU A CB +1704 C CG . LEU A 230 ? 1.0116 1.0470 0.9264 0.0111 -0.1056 -0.0395 1111 LEU A CG +1705 C CD1 . LEU A 230 ? 0.9728 1.0420 0.9080 0.0156 -0.0897 -0.0464 1111 LEU A CD1 +1706 C CD2 . LEU A 230 ? 1.0559 1.0861 0.9728 -0.0143 -0.1056 -0.0267 1111 LEU A CD2 +1707 N N . ILE A 231 ? 1.0499 1.0719 0.9255 0.0363 -0.1213 -0.0347 1112 ILE A N +1708 C CA . ILE A 231 ? 1.0619 1.0937 0.9338 0.0342 -0.1190 -0.0294 1112 ILE A CA +1709 C C . ILE A 231 ? 1.1829 1.1789 1.0274 0.0493 -0.1393 -0.0289 1112 ILE A C +1710 O O . ILE A 231 ? 1.1996 1.1843 1.0327 0.0418 -0.1443 -0.0192 1112 ILE A O +1711 C CB . ILE A 231 ? 1.0680 1.1449 0.9573 0.0414 -0.1030 -0.0369 1112 ILE A CB +1712 C CG1 . ILE A 231 ? 1.0389 1.1437 0.9500 0.0392 -0.0884 -0.0433 1112 ILE A CG1 +1713 C CG2 . ILE A 231 ? 1.0724 1.1655 0.9648 0.0284 -0.0953 -0.0294 1112 ILE A CG2 +1714 C CD1 . ILE A 231 ? 1.1051 1.2413 1.0249 0.0541 -0.0818 -0.0528 1112 ILE A CD1 +1715 N N . GLY A 232 ? 1.1728 1.1521 1.0059 0.0718 -0.1510 -0.0396 1113 GLY A N +1716 C CA . GLY A 232 ? 1.2207 1.1639 1.0253 0.0926 -0.1723 -0.0426 1113 GLY A CA +1717 C C . GLY A 232 ? 1.2656 1.2400 1.0710 0.1160 -0.1689 -0.0517 1113 GLY A C +1718 O O . GLY A 232 ? 1.2873 1.2476 1.0752 0.1250 -0.1792 -0.0489 1113 GLY A O +1719 N N . ILE A 233 ? 1.1866 1.2055 1.0124 0.1248 -0.1545 -0.0618 1114 ILE A N +1720 C CA . ILE A 233 ? 1.1698 1.2305 1.0014 0.1442 -0.1488 -0.0703 1114 ILE A CA +1721 C C . ILE A 233 ? 1.2281 1.2942 1.0509 0.1747 -0.1579 -0.0844 1114 ILE A C +1722 O O . ILE A 233 ? 1.2242 1.2757 1.0463 0.1767 -0.1612 -0.0887 1114 ILE A O +1723 C CB . ILE A 233 ? 1.1603 1.2723 1.0215 0.1275 -0.1256 -0.0688 1114 ILE A CB +1724 C CG1 . ILE A 233 ? 1.1379 1.2645 1.0177 0.1189 -0.1143 -0.0716 1114 ILE A CG1 +1725 C CG2 . ILE A 233 ? 1.1654 1.2738 1.0308 0.1033 -0.1189 -0.0570 1114 ILE A CG2 +1726 C CD1 . ILE A 233 ? 1.1923 1.3682 1.0957 0.1125 -0.0964 -0.0739 1114 ILE A CD1 +1727 N N . ALA A 234 ? 1.1893 1.2798 1.0049 0.1993 -0.1621 -0.0920 1115 ALA A N +1728 C CA . ALA A 234 ? 1.1963 1.3020 1.0020 0.2330 -0.1709 -0.1064 1115 ALA A CA +1729 C C . ALA A 234 ? 1.1894 1.3388 1.0174 0.2324 -0.1564 -0.1123 1115 ALA A C +1730 O O . ALA A 234 ? 1.1458 1.3202 0.9984 0.2071 -0.1382 -0.1055 1115 ALA A O +1731 C CB . ALA A 234 ? 1.2124 1.3499 1.0117 0.2554 -0.1742 -0.1115 1115 ALA A CB +1732 N N . GLN A 235 ? 1.1395 1.2980 0.9570 0.2618 -0.1654 -0.1250 1116 GLN A N +1733 C CA . GLN A 235 ? 1.0984 1.2985 0.9324 0.2660 -0.1545 -0.1311 1116 GLN A CA +1734 C C . GLN A 235 ? 1.0593 1.3279 0.9227 0.2525 -0.1327 -0.1271 1116 GLN A C +1735 O O . GLN A 235 ? 1.0294 1.3307 0.9076 0.2501 -0.1226 -0.1287 1116 GLN A O +1736 C CB . GLN A 235 ? 1.1507 1.3528 0.9640 0.3050 -0.1700 -0.1466 1116 GLN A CB +1737 C CG . GLN A 235 ? 1.4494 1.5851 1.2390 0.3122 -0.1889 -0.1514 1116 GLN A CG +1738 C CD . GLN A 235 ? 1.7395 1.8803 1.5097 0.3512 -0.2031 -0.1686 1116 GLN A CD +1739 O OE1 . GLN A 235 ? 1.6568 1.8480 1.4407 0.3601 -0.1928 -0.1745 1116 GLN A OE1 +1740 N NE2 . GLN A 235 ? 1.6952 1.7814 1.4313 0.3754 -0.2284 -0.1769 1116 GLN A NE2 +1741 N N . GLY A 236 ? 0.9725 1.2595 0.8427 0.2425 -0.1269 -0.1212 1117 GLY A N +1742 C CA . GLY A 236 ? 0.9151 1.2605 0.8104 0.2269 -0.1091 -0.1167 1117 GLY A CA +1743 C C . GLY A 236 ? 0.9138 1.2571 0.8158 0.2059 -0.1032 -0.1082 1117 GLY A C +1744 O O . GLY A 236 ? 0.9165 1.2998 0.8232 0.2102 -0.1006 -0.1090 1117 GLY A O +1745 N N . GLN A 237 ? 0.8138 1.1135 0.7159 0.1834 -0.1016 -0.1002 1118 GLN A N +1746 C CA . GLN A 237 ? 0.7709 1.0662 0.6785 0.1623 -0.0956 -0.0920 1118 GLN A CA +1747 C C . GLN A 237 ? 0.6989 0.9910 0.6252 0.1327 -0.0812 -0.0851 1118 GLN A C +1748 O O . GLN A 237 ? 0.6726 0.9605 0.6043 0.1139 -0.0750 -0.0790 1118 GLN A O +1749 C CB . GLN A 237 ? 0.8233 1.0706 0.7081 0.1669 -0.1098 -0.0885 1118 GLN A CB +1750 C CG . GLN A 237 ? 0.9850 1.2454 0.8698 0.1600 -0.1077 -0.0839 1118 GLN A CG +1751 C CD . GLN A 237 ? 1.2466 1.4599 1.1084 0.1621 -0.1215 -0.0780 1118 GLN A CD +1752 O OE1 . GLN A 237 ? 1.2252 1.4096 1.0640 0.1844 -0.1386 -0.0816 1118 GLN A OE1 +1753 N NE2 . GLN A 237 ? 1.1237 1.3289 0.9896 0.1396 -0.1153 -0.0687 1118 GLN A NE2 +1754 N N . MET A 238 ? 0.5739 0.8696 0.5089 0.1308 -0.0763 -0.0869 1119 MET A N +1755 C CA . MET A 238 ? 0.5117 0.8059 0.4632 0.1069 -0.0637 -0.0816 1119 MET A CA +1756 C C . MET A 238 ? 0.4606 0.8002 0.4303 0.0966 -0.0514 -0.0809 1119 MET A C +1757 O O . MET A 238 ? 0.4440 0.8166 0.4196 0.1054 -0.0493 -0.0841 1119 MET A O +1758 C CB . MET A 238 ? 0.5370 0.8124 0.4882 0.1091 -0.0650 -0.0831 1119 MET A CB +1759 C CG . MET A 238 ? 0.5589 0.8260 0.5239 0.0863 -0.0540 -0.0774 1119 MET A CG +1760 S SD . MET A 238 ? 0.6208 0.8461 0.5789 0.0700 -0.0569 -0.0701 1119 MET A SD +1761 C CE . MET A 238 ? 0.6010 0.7898 0.5462 0.0786 -0.0692 -0.0717 1119 MET A CE +1762 N N . THR A 239 ? 0.3527 0.6941 0.3299 0.0778 -0.0443 -0.0765 1120 THR A N +1763 C CA . THR A 239 ? 0.3149 0.6901 0.3073 0.0634 -0.0345 -0.0751 1120 THR A CA +1764 C C . THR A 239 ? 0.3420 0.7047 0.3450 0.0461 -0.0258 -0.0718 1120 THR A C +1765 O O . THR A 239 ? 0.3437 0.6745 0.3428 0.0444 -0.0266 -0.0706 1120 THR A O +1766 C CB . THR A 239 ? 0.3260 0.7085 0.3175 0.0552 -0.0341 -0.0741 1120 THR A CB +1767 O OG1 . THR A 239 ? 0.3282 0.6806 0.3182 0.0414 -0.0313 -0.0709 1120 THR A OG1 +1768 C CG2 . THR A 239 ? 0.2736 0.6625 0.2520 0.0739 -0.0441 -0.0769 1120 THR A CG2 +1769 N N . VAL A 240 ? 0.2602 0.6477 0.2755 0.0331 -0.0185 -0.0700 1121 VAL A N +1770 C CA . VAL A 240 ? 0.2280 0.6027 0.2514 0.0179 -0.0114 -0.0670 1121 VAL A CA +1771 C C . VAL A 240 ? 0.2892 0.6355 0.3105 0.0069 -0.0092 -0.0666 1121 VAL A C +1772 O O . VAL A 240 ? 0.2715 0.5972 0.2946 0.0014 -0.0058 -0.0654 1121 VAL A O +1773 C CB . VAL A 240 ? 0.2516 0.6559 0.2858 0.0055 -0.0065 -0.0639 1121 VAL A CB +1774 C CG1 . VAL A 240 ? 0.2438 0.6614 0.2804 -0.0079 -0.0061 -0.0637 1121 VAL A CG1 +1775 C CG2 . VAL A 240 ? 0.2400 0.6283 0.2795 -0.0052 -0.0013 -0.0606 1121 VAL A CG2 +1776 N N . LEU A 241 ? 0.2792 0.6276 0.2958 0.0053 -0.0114 -0.0677 1122 LEU A N +1777 C CA . LEU A 241 ? 0.2876 0.6164 0.3009 -0.0035 -0.0096 -0.0676 1122 LEU A CA +1778 C C . LEU A 241 ? 0.3223 0.6253 0.3270 0.0025 -0.0129 -0.0655 1122 LEU A C +1779 O O . LEU A 241 ? 0.2920 0.5791 0.2976 -0.0049 -0.0093 -0.0642 1122 LEU A O +1780 C CB . LEU A 241 ? 0.2980 0.6421 0.3089 -0.0074 -0.0111 -0.0693 1122 LEU A CB +1781 C CG . LEU A 241 ? 0.3852 0.7164 0.3922 -0.0161 -0.0091 -0.0703 1122 LEU A CG +1782 C CD1 . LEU A 241 ? 0.3966 0.7152 0.4087 -0.0268 -0.0034 -0.0718 1122 LEU A CD1 +1783 C CD2 . LEU A 241 ? 0.4315 0.7820 0.4366 -0.0196 -0.0112 -0.0729 1122 LEU A CD2 +1784 N N A ARG A 242 ? 0.2948 0.5940 0.2904 0.0156 -0.0208 -0.0650 1123 ARG A N +1785 N N B ARG A 242 ? 0.2962 0.5951 0.2916 0.0156 -0.0209 -0.0650 1123 ARG A N +1786 C CA A ARG A 242 ? 0.3086 0.5801 0.2935 0.0196 -0.0271 -0.0616 1123 ARG A CA +1787 C CA B ARG A 242 ? 0.3107 0.5817 0.2955 0.0196 -0.0271 -0.0616 1123 ARG A CA +1788 C C A ARG A 242 ? 0.3523 0.6091 0.3414 0.0176 -0.0251 -0.0607 1123 ARG A C +1789 C C B ARG A 242 ? 0.3534 0.6091 0.3418 0.0184 -0.0257 -0.0607 1123 ARG A C +1790 O O A ARG A 242 ? 0.3516 0.5922 0.3398 0.0092 -0.0237 -0.0570 1123 ARG A O +1791 O O B ARG A 242 ? 0.3539 0.5909 0.3396 0.0113 -0.0259 -0.0567 1123 ARG A O +1792 C CB A ARG A 242 ? 0.3396 0.6065 0.3114 0.0365 -0.0384 -0.0626 1123 ARG A CB +1793 C CB B ARG A 242 ? 0.3475 0.6133 0.3186 0.0358 -0.0386 -0.0622 1123 ARG A CB +1794 C CG A ARG A 242 ? 0.5121 0.7466 0.4686 0.0376 -0.0477 -0.0573 1123 ARG A CG +1795 C CG B ARG A 242 ? 0.5466 0.7790 0.5027 0.0364 -0.0477 -0.0567 1123 ARG A CG +1796 C CD A ARG A 242 ? 0.6726 0.8995 0.6132 0.0561 -0.0607 -0.0592 1123 ARG A CD +1797 C CD B ARG A 242 ? 0.7455 0.9763 0.6953 0.0287 -0.0481 -0.0519 1123 ARG A CD +1798 N NE A ARG A 242 ? 0.7834 0.9934 0.7101 0.0538 -0.0676 -0.0532 1123 ARG A NE +1799 N NE B ARG A 242 ? 0.8922 1.0997 0.8363 0.0169 -0.0496 -0.0438 1123 ARG A NE +1800 C CZ A ARG A 242 ? 1.0052 1.2085 0.9162 0.0691 -0.0791 -0.0539 1123 ARG A CZ +1801 C CZ B ARG A 242 ? 1.1187 1.3010 1.0462 0.0177 -0.0607 -0.0367 1123 ARG A CZ +1802 N NH1 A ARG A 242 ? 0.8551 1.0706 0.7626 0.0897 -0.0848 -0.0617 1123 ARG A NH1 +1803 N NH1 B ARG A 242 ? 0.9635 1.1309 0.8877 0.0035 -0.0613 -0.0278 1123 ARG A NH1 +1804 N NH2 A ARG A 242 ? 0.8904 1.0771 0.7881 0.0650 -0.0852 -0.0468 1123 ARG A NH2 +1805 N NH2 B ARG A 242 ? 0.9887 1.1613 0.9019 0.0327 -0.0722 -0.0379 1123 ARG A NH2 +1806 N N . LEU A 243 ? 0.2869 0.5545 0.2816 0.0246 -0.0242 -0.0638 1124 LEU A N +1807 C CA . LEU A 243 ? 0.2651 0.5221 0.2639 0.0244 -0.0226 -0.0635 1124 LEU A CA +1808 C C . LEU A 243 ? 0.3173 0.5731 0.3258 0.0102 -0.0133 -0.0618 1124 LEU A C +1809 O O . LEU A 243 ? 0.3138 0.5542 0.3225 0.0068 -0.0130 -0.0599 1124 LEU A O +1810 C CB . LEU A 243 ? 0.2526 0.5271 0.2545 0.0357 -0.0234 -0.0670 1124 LEU A CB +1811 C CG . LEU A 243 ? 0.2908 0.5557 0.2950 0.0386 -0.0233 -0.0674 1124 LEU A CG +1812 C CD1 . LEU A 243 ? 0.3026 0.5362 0.2957 0.0426 -0.0325 -0.0670 1124 LEU A CD1 +1813 C CD2 . LEU A 243 ? 0.2870 0.5755 0.2929 0.0514 -0.0242 -0.0708 1124 LEU A CD2 +1814 N N . THR A 244 ? 0.2702 0.5415 0.2854 0.0024 -0.0070 -0.0629 1125 THR A N +1815 C CA . THR A 244 ? 0.2637 0.5312 0.2850 -0.0085 0.0000 -0.0630 1125 THR A CA +1816 C C . THR A 244 ? 0.3256 0.5807 0.3425 -0.0132 0.0006 -0.0616 1125 THR A C +1817 O O . THR A 244 ? 0.3149 0.5624 0.3345 -0.0162 0.0039 -0.0610 1125 THR A O +1818 C CB . THR A 244 ? 0.2915 0.5737 0.3170 -0.0159 0.0031 -0.0648 1125 THR A CB +1819 O OG1 . THR A 244 ? 0.3306 0.6262 0.3616 -0.0146 0.0037 -0.0637 1125 THR A OG1 +1820 C CG2 . THR A 244 ? 0.2422 0.5149 0.2691 -0.0250 0.0076 -0.0667 1125 THR A CG2 +1821 N N . GLU A 245 ? 0.2977 0.5543 0.3076 -0.0132 -0.0027 -0.0607 1126 GLU A N +1822 C CA . GLU A 245 ? 0.2956 0.5462 0.3002 -0.0184 -0.0025 -0.0577 1126 GLU A CA +1823 C C . GLU A 245 ? 0.3469 0.5834 0.3482 -0.0188 -0.0061 -0.0522 1126 GLU A C +1824 O O . GLU A 245 ? 0.3437 0.5809 0.3460 -0.0252 -0.0027 -0.0498 1126 GLU A O +1825 C CB . GLU A 245 ? 0.3193 0.5751 0.3158 -0.0178 -0.0063 -0.0567 1126 GLU A CB +1826 C CG . GLU A 245 ? 0.4379 0.7087 0.4371 -0.0209 -0.0028 -0.0620 1126 GLU A CG +1827 C CD . GLU A 245 ? 0.6190 0.8983 0.6107 -0.0189 -0.0072 -0.0615 1126 GLU A CD +1828 O OE1 . GLU A 245 ? 0.3676 0.6595 0.3607 -0.0227 -0.0052 -0.0660 1126 GLU A OE1 +1829 O OE2 . GLU A 245 ? 0.5361 0.8077 0.5193 -0.0134 -0.0137 -0.0567 1126 GLU A OE2 +1830 N N A LEU A 246 ? 0.3037 0.5288 0.3003 -0.0117 -0.0138 -0.0507 1127 LEU A N +1831 N N B LEU A 246 ? 0.3131 0.5383 0.3096 -0.0117 -0.0138 -0.0508 1127 LEU A N +1832 C CA A LEU A 246 ? 0.3088 0.5163 0.3004 -0.0134 -0.0199 -0.0457 1127 LEU A CA +1833 C CA B LEU A 246 ? 0.3225 0.5298 0.3138 -0.0126 -0.0203 -0.0460 1127 LEU A CA +1834 C C A LEU A 246 ? 0.3391 0.5485 0.3403 -0.0167 -0.0144 -0.0466 1127 LEU A C +1835 C C B LEU A 246 ? 0.3463 0.5550 0.3471 -0.0162 -0.0149 -0.0467 1127 LEU A C +1836 O O A LEU A 246 ? 0.3268 0.5327 0.3279 -0.0245 -0.0147 -0.0418 1127 LEU A O +1837 O O B LEU A 246 ? 0.3361 0.5403 0.3363 -0.0239 -0.0157 -0.0417 1127 LEU A O +1838 C CB A LEU A 246 ? 0.3241 0.5158 0.3064 -0.0022 -0.0311 -0.0466 1127 LEU A CB +1839 C CB B LEU A 246 ? 0.3407 0.5345 0.3230 -0.0003 -0.0310 -0.0476 1127 LEU A CB +1840 C CG A LEU A 246 ? 0.3961 0.5818 0.3658 0.0050 -0.0396 -0.0459 1127 LEU A CG +1841 C CG B LEU A 246 ? 0.4240 0.5935 0.3984 0.0004 -0.0409 -0.0445 1127 LEU A CG +1842 C CD1 A LEU A 246 ? 0.4045 0.5874 0.3689 0.0220 -0.0470 -0.0518 1127 LEU A CD1 +1843 C CD1 B LEU A 246 ? 0.4626 0.6093 0.4191 0.0058 -0.0550 -0.0415 1127 LEU A CD1 +1844 C CD2 A LEU A 246 ? 0.4438 0.6075 0.4001 -0.0022 -0.0486 -0.0372 1127 LEU A CD2 +1845 C CD2 B LEU A 246 ? 0.4362 0.6065 0.4151 0.0103 -0.0414 -0.0505 1127 LEU A CD2 +1846 N N . LEU A 247 ? 0.2904 0.5075 0.2995 -0.0111 -0.0098 -0.0520 1128 LEU A N +1847 C CA . LEU A 247 ? 0.2868 0.5055 0.3042 -0.0123 -0.0048 -0.0531 1128 LEU A CA +1848 C C . LEU A 247 ? 0.3551 0.5824 0.3772 -0.0194 0.0029 -0.0533 1128 LEU A C +1849 O O . LEU A 247 ? 0.3539 0.5819 0.3791 -0.0222 0.0045 -0.0515 1128 LEU A O +1850 C CB . LEU A 247 ? 0.2755 0.5012 0.2984 -0.0057 -0.0022 -0.0571 1128 LEU A CB +1851 C CG . LEU A 247 ? 0.3319 0.5563 0.3505 0.0049 -0.0091 -0.0587 1128 LEU A CG +1852 C CD1 . LEU A 247 ? 0.3195 0.5594 0.3447 0.0089 -0.0047 -0.0608 1128 LEU A CD1 +1853 C CD2 . LEU A 247 ? 0.3783 0.5866 0.3920 0.0083 -0.0164 -0.0577 1128 LEU A CD2 +1854 N N . GLU A 248 ? 0.3183 0.5535 0.3398 -0.0213 0.0066 -0.0560 1129 GLU A N +1855 C CA . GLU A 248 ? 0.3202 0.5632 0.3429 -0.0248 0.0125 -0.0583 1129 GLU A CA +1856 C C . GLU A 248 ? 0.3713 0.6203 0.3904 -0.0301 0.0119 -0.0530 1129 GLU A C +1857 O O . GLU A 248 ? 0.3467 0.6061 0.3682 -0.0311 0.0164 -0.0540 1129 GLU A O +1858 C CB . GLU A 248 ? 0.3410 0.5886 0.3615 -0.0255 0.0142 -0.0631 1129 GLU A CB +1859 C CG . GLU A 248 ? 0.4671 0.7116 0.4916 -0.0244 0.0158 -0.0674 1129 GLU A CG +1860 C CD . GLU A 248 ? 0.8273 1.0746 0.8492 -0.0278 0.0156 -0.0719 1129 GLU A CD +1861 O OE1 . GLU A 248 ? 0.9980 1.2387 1.0197 -0.0293 0.0169 -0.0761 1129 GLU A OE1 +1862 O OE2 . GLU A 248 ? 0.6511 0.9054 0.6698 -0.0291 0.0130 -0.0712 1129 GLU A OE2 +1863 N N . ARG A 249 ? 0.3432 0.5864 0.3556 -0.0333 0.0054 -0.0469 1130 ARG A N +1864 C CA . ARG A 249 ? 0.3532 0.6002 0.3603 -0.0416 0.0026 -0.0385 1130 ARG A CA +1865 C C . ARG A 249 ? 0.4139 0.6566 0.4236 -0.0463 -0.0005 -0.0332 1130 ARG A C +1866 O O . ARG A 249 ? 0.4290 0.6757 0.4349 -0.0563 -0.0038 -0.0244 1130 ARG A O +1867 C CB . ARG A 249 ? 0.3916 0.6269 0.3878 -0.0429 -0.0057 -0.0332 1130 ARG A CB +1868 C CG . ARG A 249 ? 0.6046 0.8526 0.5945 -0.0489 -0.0044 -0.0288 1130 ARG A CG +1869 C CD . ARG A 249 ? 0.7824 1.0149 0.7594 -0.0518 -0.0147 -0.0204 1130 ARG A CD +1870 N NE . ARG A 249 ? 0.9602 1.1842 0.9332 -0.0415 -0.0185 -0.0259 1130 ARG A NE +1871 C CZ . ARG A 249 ? 1.1634 1.3663 1.1276 -0.0355 -0.0290 -0.0242 1130 ARG A CZ +1872 N NH1 . ARG A 249 ? 1.0250 1.2069 0.9822 -0.0397 -0.0380 -0.0172 1130 ARG A NH1 +1873 N NH2 . ARG A 249 ? 0.9781 1.1811 0.9395 -0.0246 -0.0315 -0.0298 1130 ARG A NH2 +1874 N N . GLY A 250 ? 0.3524 0.5879 0.3680 -0.0403 -0.0002 -0.0376 1131 GLY A N +1875 C CA . GLY A 250 ? 0.3486 0.5806 0.3672 -0.0436 -0.0034 -0.0342 1131 GLY A CA +1876 C C . GLY A 250 ? 0.4045 0.6140 0.4148 -0.0461 -0.0155 -0.0294 1131 GLY A C +1877 O O . GLY A 250 ? 0.4064 0.6120 0.4174 -0.0522 -0.0203 -0.0253 1131 GLY A O +1878 N N . GLU A 251 ? 0.3688 0.5629 0.3702 -0.0405 -0.0218 -0.0304 1132 GLU A N +1879 C CA . GLU A 251 ? 0.3771 0.5447 0.3669 -0.0388 -0.0356 -0.0278 1132 GLU A CA +1880 C C . GLU A 251 ? 0.3854 0.5459 0.3781 -0.0273 -0.0376 -0.0352 1132 GLU A C +1881 O O . GLU A 251 ? 0.3605 0.5331 0.3604 -0.0178 -0.0303 -0.0421 1132 GLU A O +1882 C CB . GLU A 251 ? 0.4109 0.5651 0.3876 -0.0352 -0.0431 -0.0260 1132 GLU A CB +1883 C CG . GLU A 251 ? 0.5806 0.7337 0.5498 -0.0500 -0.0465 -0.0148 1132 GLU A CG +1884 C CD . GLU A 251 ? 1.0585 1.1961 1.0124 -0.0485 -0.0553 -0.0104 1132 GLU A CD +1885 O OE1 . GLU A 251 ? 1.1209 1.2516 1.0701 -0.0336 -0.0584 -0.0175 1132 GLU A OE1 +1886 O OE2 . GLU A 251 ? 1.1191 1.2543 1.0653 -0.0623 -0.0593 0.0009 1132 GLU A OE2 +1887 N N . ARG A 252 ? 0.3329 0.4763 0.3206 -0.0303 -0.0474 -0.0330 1133 ARG A N +1888 C CA . ARG A 252 ? 0.3229 0.4610 0.3126 -0.0198 -0.0500 -0.0399 1133 ARG A CA +1889 C C . ARG A 252 ? 0.3883 0.4950 0.3620 -0.0147 -0.0673 -0.0410 1133 ARG A C +1890 O O . ARG A 252 ? 0.4080 0.4935 0.3690 -0.0233 -0.0783 -0.0343 1133 ARG A O +1891 C CB . ARG A 252 ? 0.2726 0.4250 0.2742 -0.0271 -0.0437 -0.0387 1133 ARG A CB +1892 C CG . ARG A 252 ? 0.3183 0.4985 0.3339 -0.0285 -0.0282 -0.0397 1133 ARG A CG +1893 C CD . ARG A 252 ? 0.2995 0.4877 0.3201 -0.0159 -0.0209 -0.0469 1133 ARG A CD +1894 N NE . ARG A 252 ? 0.3262 0.5330 0.3567 -0.0173 -0.0090 -0.0481 1133 ARG A NE +1895 C CZ . ARG A 252 ? 0.4544 0.6692 0.4855 -0.0190 -0.0031 -0.0486 1133 ARG A CZ +1896 N NH1 . ARG A 252 ? 0.2354 0.4447 0.2592 -0.0202 -0.0070 -0.0472 1133 ARG A NH1 +1897 N NH2 . ARG A 252 ? 0.2870 0.5136 0.3243 -0.0184 0.0054 -0.0512 1133 ARG A NH2 +1898 N N . LEU A 253 ? 0.3431 0.4460 0.3159 -0.0008 -0.0707 -0.0492 1134 LEU A N +1899 C CA . LEU A 253 ? 0.3670 0.4391 0.3230 0.0079 -0.0883 -0.0533 1134 LEU A CA +1900 C C . LEU A 253 ? 0.4169 0.4689 0.3678 -0.0102 -0.0987 -0.0458 1134 LEU A C +1901 O O . LEU A 253 ? 0.3827 0.4548 0.3474 -0.0240 -0.0894 -0.0406 1134 LEU A O +1902 C CB . LEU A 253 ? 0.3588 0.4397 0.3173 0.0260 -0.0874 -0.0638 1134 LEU A CB +1903 C CG . LEU A 253 ? 0.4014 0.5035 0.3622 0.0437 -0.0803 -0.0704 1134 LEU A CG +1904 C CD1 . LEU A 253 ? 0.3782 0.5028 0.3480 0.0547 -0.0732 -0.0765 1134 LEU A CD1 +1905 C CD2 . LEU A 253 ? 0.4366 0.5185 0.3780 0.0598 -0.0947 -0.0756 1134 LEU A CD2 +1906 N N . PRO A 254 ? 0.4181 0.4313 0.3485 -0.0116 -0.1185 -0.0442 1135 PRO A N +1907 C CA . PRO A 254 ? 0.4364 0.4316 0.3619 -0.0336 -0.1292 -0.0347 1135 PRO A CA +1908 C C . PRO A 254 ? 0.4813 0.4763 0.4110 -0.0334 -0.1330 -0.0399 1135 PRO A C +1909 O O . PRO A 254 ? 0.4777 0.4827 0.4114 -0.0141 -0.1285 -0.0513 1135 PRO A O +1910 C CB . PRO A 254 ? 0.5072 0.4550 0.4061 -0.0331 -0.1513 -0.0322 1135 PRO A CB +1911 C CG . PRO A 254 ? 0.5708 0.5083 0.4596 -0.0035 -0.1561 -0.0466 1135 PRO A CG +1912 C CD . PRO A 254 ? 0.4710 0.4540 0.3802 0.0066 -0.1335 -0.0508 1135 PRO A CD +1913 N N A ARG A 255 ? 0.4500 0.4365 0.3786 -0.0554 -0.1414 -0.0311 1136 ARG A N +1914 N N B ARG A 255 ? 0.4425 0.4292 0.3712 -0.0556 -0.1413 -0.0310 1136 ARG A N +1915 C CA A ARG A 255 ? 0.4533 0.4390 0.3849 -0.0579 -0.1469 -0.0352 1136 ARG A CA +1916 C CA B ARG A 255 ? 0.4419 0.4279 0.3736 -0.0572 -0.1468 -0.0356 1136 ARG A CA +1917 C C A ARG A 255 ? 0.5568 0.4959 0.4644 -0.0439 -0.1696 -0.0450 1136 ARG A C +1918 C C B ARG A 255 ? 0.5516 0.4907 0.4592 -0.0435 -0.1695 -0.0451 1136 ARG A C +1919 O O A ARG A 255 ? 0.5885 0.4865 0.4752 -0.0526 -0.1888 -0.0397 1136 ARG A O +1920 O O B ARG A 255 ? 0.5831 0.4814 0.4699 -0.0524 -0.1886 -0.0397 1136 ARG A O +1921 C CB A ARG A 255 ? 0.4459 0.4410 0.3836 -0.0879 -0.1498 -0.0215 1136 ARG A CB +1922 C CB B ARG A 255 ? 0.4140 0.4107 0.3527 -0.0864 -0.1491 -0.0226 1136 ARG A CB +1923 C CG A ARG A 255 ? 0.5362 0.5362 0.4790 -0.0933 -0.1551 -0.0246 1136 ARG A CG +1924 C CG B ARG A 255 ? 0.4295 0.4347 0.3750 -0.0881 -0.1519 -0.0275 1136 ARG A CG +1925 C CD A ARG A 255 ? 0.6498 0.6640 0.5985 -0.1248 -0.1586 -0.0096 1136 ARG A CD +1926 C CD B ARG A 255 ? 0.4546 0.4784 0.4087 -0.1173 -0.1537 -0.0143 1136 ARG A CD +1927 N NE A ARG A 255 ? 0.8291 0.8199 0.7684 -0.1362 -0.1778 -0.0100 1136 ARG A NE +1928 N NE B ARG A 255 ? 0.6069 0.5884 0.5409 -0.1366 -0.1787 -0.0073 1136 ARG A NE +1929 C CZ A ARG A 255 ? 1.0420 0.9839 0.9581 -0.1495 -0.2025 -0.0052 1136 ARG A CZ +1930 C CZ B ARG A 255 ? 0.7833 0.7636 0.7136 -0.1654 -0.1857 0.0096 1136 ARG A CZ +1931 N NH1 A ARG A 255 ? 0.8762 0.7973 0.7841 -0.1603 -0.2204 -0.0066 1136 ARG A NH1 +1932 N NH1 B ARG A 255 ? 0.6515 0.5877 0.5612 -0.1839 -0.2109 0.0163 1136 ARG A NH1 +1933 N NH2 A ARG A 255 ? 0.9159 0.8271 0.8155 -0.1521 -0.2107 0.0010 1136 ARG A NH2 +1934 N NH2 B ARG A 255 ? 0.6131 0.6361 0.5591 -0.1764 -0.1686 0.0202 1136 ARG A NH2 +1935 N N . PRO A 256 ? 0.5193 0.4629 0.4273 -0.0210 -0.1686 -0.0592 1137 PRO A N +1936 C CA . PRO A 256 ? 0.5665 0.4678 0.4498 -0.0037 -0.1909 -0.0708 1137 PRO A CA +1937 C C . PRO A 256 ? 0.6850 0.5481 0.5534 -0.0226 -0.2134 -0.0669 1137 PRO A C +1938 O O . PRO A 256 ? 0.6683 0.5502 0.5508 -0.0457 -0.2087 -0.0579 1137 PRO A O +1939 C CB . PRO A 256 ? 0.5634 0.4914 0.4556 0.0197 -0.1814 -0.0843 1137 PRO A CB +1940 C CG . PRO A 256 ? 0.5635 0.5401 0.4807 0.0193 -0.1551 -0.0800 1137 PRO A CG +1941 C CD . PRO A 256 ? 0.4995 0.4863 0.4285 -0.0092 -0.1486 -0.0652 1137 PRO A CD +1942 N N . ASP A 257 ? 0.7161 0.5255 0.5550 -0.0135 -0.2388 -0.0730 1138 ASP A N +1943 C CA . ASP A 257 ? 0.7694 0.5330 0.5893 -0.0324 -0.2645 -0.0694 1138 ASP A CA +1944 C C . ASP A 257 ? 0.8067 0.5872 0.6370 -0.0354 -0.2641 -0.0755 1138 ASP A C +1945 O O . ASP A 257 ? 0.7839 0.5841 0.6192 -0.0097 -0.2566 -0.0900 1138 ASP A O +1946 C CB . ASP A 257 ? 0.8603 0.5593 0.6434 -0.0148 -0.2933 -0.0790 1138 ASP A CB +1947 C CG . ASP A 257 ? 1.1282 0.7701 0.8877 -0.0399 -0.3228 -0.0714 1138 ASP A CG +1948 O OD1 . ASP A 257 ? 1.1882 0.7951 0.9288 -0.0300 -0.3437 -0.0841 1138 ASP A OD1 +1949 O OD2 . ASP A 257 ? 1.2503 0.8839 1.0098 -0.0708 -0.3255 -0.0522 1138 ASP A OD2 +1950 N N . LYS A 258 ? 0.7674 0.5480 0.6033 -0.0682 -0.2699 -0.0628 1139 LYS A N +1951 C CA . LYS A 258 ? 0.7477 0.5473 0.5948 -0.0772 -0.2702 -0.0655 1139 LYS A CA +1952 C C . LYS A 258 ? 0.7184 0.5843 0.5977 -0.0697 -0.2404 -0.0670 1139 LYS A C +1953 O O . LYS A 258 ? 0.7090 0.5941 0.5980 -0.0723 -0.2393 -0.0707 1139 LYS A O +1954 C CB . LYS A 258 ? 0.8203 0.5747 0.6424 -0.0613 -0.2957 -0.0819 1139 LYS A CB +1955 C CG . LYS A 258 ? 1.0613 0.7473 0.8519 -0.0795 -0.3290 -0.0771 1139 LYS A CG +1956 C CD . LYS A 258 ? 1.2395 0.8697 0.9968 -0.0499 -0.3547 -0.0974 1139 LYS A CD +1957 C CE . LYS A 258 ? 1.3950 1.0029 1.1414 -0.0557 -0.3750 -0.1060 1139 LYS A CE +1958 N NZ . LYS A 258 ? 1.5846 1.1323 1.2942 -0.0263 -0.4033 -0.1264 1139 LYS A NZ +1959 N N . CYS A 259 ? 0.6205 0.5196 0.5155 -0.0617 -0.2176 -0.0634 1140 CYS A N +1960 C CA . CYS A 259 ? 0.5568 0.5124 0.4794 -0.0554 -0.1911 -0.0637 1140 CYS A CA +1961 C C . CYS A 259 ? 0.5829 0.5713 0.5240 -0.0841 -0.1826 -0.0493 1140 CYS A C +1962 O O . CYS A 259 ? 0.5740 0.5603 0.5144 -0.1043 -0.1834 -0.0362 1140 CYS A O +1963 C CB . CYS A 259 ? 0.5224 0.4976 0.4525 -0.0379 -0.1727 -0.0656 1140 CYS A CB +1964 S SG . CYS A 259 ? 0.5094 0.5456 0.4699 -0.0329 -0.1425 -0.0642 1140 CYS A SG +1965 N N . PRO A 260 ? 0.5085 0.5305 0.4658 -0.0853 -0.1743 -0.0512 1141 PRO A N +1966 C CA . PRO A 260 ? 0.4887 0.5490 0.4640 -0.1098 -0.1658 -0.0384 1141 PRO A CA +1967 C C . PRO A 260 ? 0.4948 0.5912 0.4862 -0.1081 -0.1433 -0.0321 1141 PRO A C +1968 O O . PRO A 260 ? 0.4612 0.5692 0.4587 -0.0858 -0.1288 -0.0399 1141 PRO A O +1969 C CB . PRO A 260 ? 0.4948 0.5815 0.4816 -0.1035 -0.1621 -0.0451 1141 PRO A CB +1970 C CG . PRO A 260 ? 0.5665 0.6215 0.5379 -0.0810 -0.1734 -0.0602 1141 PRO A CG +1971 C CD . PRO A 260 ? 0.5117 0.5427 0.4715 -0.0634 -0.1719 -0.0648 1141 PRO A CD +1972 N N . CYS A 261 ? 0.4550 0.5688 0.4520 -0.1322 -0.1415 -0.0179 1142 CYS A N +1973 C CA . CYS A 261 ? 0.4306 0.5790 0.4408 -0.1328 -0.1223 -0.0115 1142 CYS A CA +1974 C C . CYS A 261 ? 0.4083 0.5943 0.4361 -0.1128 -0.1017 -0.0194 1142 CYS A C +1975 O O . CYS A 261 ? 0.3811 0.5720 0.4118 -0.0988 -0.0889 -0.0226 1142 CYS A O +1976 C CB . CYS A 261 ? 0.4477 0.6213 0.4632 -0.1622 -0.1237 0.0048 1142 CYS A CB +1977 S SG . CYS A 261 ? 0.5483 0.6754 0.5408 -0.1872 -0.1460 0.0180 1142 CYS A SG +1978 N N . GLU A 262 ? 0.3384 0.5464 0.3759 -0.1108 -0.1002 -0.0229 1143 GLU A N +1979 C CA . GLU A 262 ? 0.2943 0.5334 0.3459 -0.0916 -0.0832 -0.0298 1143 GLU A CA +1980 C C . GLU A 262 ? 0.3265 0.5454 0.3729 -0.0665 -0.0787 -0.0409 1143 GLU A C +1981 O O . GLU A 262 ? 0.2956 0.5332 0.3507 -0.0527 -0.0635 -0.0438 1143 GLU A O +1982 C CB . GLU A 262 ? 0.3001 0.5686 0.3621 -0.0957 -0.0840 -0.0300 1143 GLU A CB +1983 C CG . GLU A 262 ? 0.4139 0.6628 0.4695 -0.0850 -0.0939 -0.0394 1143 GLU A CG +1984 C CD . GLU A 262 ? 0.6297 0.9095 0.6957 -0.0875 -0.0942 -0.0401 1143 GLU A CD +1985 O OE1 . GLU A 262 ? 0.4292 0.7403 0.5073 -0.0735 -0.0798 -0.0426 1143 GLU A OE1 +1986 O OE2 . GLU A 262 ? 0.5201 0.7905 0.5809 -0.1028 -0.1104 -0.0385 1143 GLU A OE2 +1987 N N . VAL A 263 ? 0.3044 0.4865 0.3357 -0.0605 -0.0928 -0.0470 1144 VAL A N +1988 C CA . VAL A 263 ? 0.2953 0.4636 0.3208 -0.0372 -0.0896 -0.0569 1144 VAL A CA +1989 C C . VAL A 263 ? 0.3228 0.4840 0.3455 -0.0343 -0.0827 -0.0546 1144 VAL A C +1990 O O . VAL A 263 ? 0.3035 0.4755 0.3311 -0.0198 -0.0704 -0.0582 1144 VAL A O +1991 C CB . VAL A 263 ? 0.3727 0.5089 0.3817 -0.0283 -0.1072 -0.0658 1144 VAL A CB +1992 C CG1 . VAL A 263 ? 0.3620 0.4912 0.3647 -0.0038 -0.1034 -0.0751 1144 VAL A CG1 +1993 C CG2 . VAL A 263 ? 0.3721 0.5186 0.3846 -0.0302 -0.1131 -0.0689 1144 VAL A CG2 +1994 N N . TYR A 264 ? 0.2868 0.4318 0.3019 -0.0499 -0.0908 -0.0474 1145 TYR A N +1995 C CA . TYR A 264 ? 0.2765 0.4169 0.2888 -0.0492 -0.0851 -0.0443 1145 TYR A CA +1996 C C . TYR A 264 ? 0.2965 0.4721 0.3246 -0.0503 -0.0663 -0.0405 1145 TYR A C +1997 O O . TYR A 264 ? 0.2605 0.4390 0.2900 -0.0398 -0.0569 -0.0432 1145 TYR A O +1998 C CB . TYR A 264 ? 0.3177 0.4328 0.3171 -0.0668 -0.0991 -0.0359 1145 TYR A CB +1999 C CG . TYR A 264 ? 0.3448 0.4551 0.3401 -0.0655 -0.0942 -0.0325 1145 TYR A CG +2000 C CD1 . TYR A 264 ? 0.3626 0.4632 0.3528 -0.0455 -0.0911 -0.0408 1145 TYR A CD1 +2001 C CD2 . TYR A 264 ? 0.3552 0.4736 0.3512 -0.0846 -0.0932 -0.0207 1145 TYR A CD2 +2002 C CE1 . TYR A 264 ? 0.3703 0.4683 0.3568 -0.0444 -0.0871 -0.0380 1145 TYR A CE1 +2003 C CE2 . TYR A 264 ? 0.3616 0.4763 0.3531 -0.0830 -0.0891 -0.0178 1145 TYR A CE2 +2004 C CZ . TYR A 264 ? 0.4346 0.5376 0.4212 -0.0628 -0.0865 -0.0268 1145 TYR A CZ +2005 O OH . TYR A 264 ? 0.4062 0.5071 0.3884 -0.0611 -0.0831 -0.0244 1145 TYR A OH +2006 N N . HIS A 265 ? 0.2492 0.4526 0.2884 -0.0622 -0.0617 -0.0349 1146 HIS A N +2007 C CA . HIS A 265 ? 0.2251 0.4620 0.2771 -0.0604 -0.0455 -0.0330 1146 HIS A CA +2008 C C . HIS A 265 ? 0.2868 0.5312 0.3447 -0.0406 -0.0344 -0.0412 1146 HIS A C +2009 O O . HIS A 265 ? 0.2759 0.5323 0.3383 -0.0346 -0.0231 -0.0420 1146 HIS A O +2010 C CB . HIS A 265 ? 0.2273 0.4965 0.2887 -0.0749 -0.0444 -0.0261 1146 HIS A CB +2011 C CG . HIS A 265 ? 0.2726 0.5397 0.3286 -0.0982 -0.0542 -0.0149 1146 HIS A CG +2012 N ND1 . HIS A 265 ? 0.2971 0.5828 0.3572 -0.1160 -0.0612 -0.0077 1146 HIS A ND1 +2013 C CD2 . HIS A 265 ? 0.2934 0.5408 0.3392 -0.1070 -0.0593 -0.0091 1146 HIS A CD2 +2014 C CE1 . HIS A 265 ? 0.3036 0.5803 0.3558 -0.1367 -0.0702 0.0034 1146 HIS A CE1 +2015 N NE2 . HIS A 265 ? 0.3077 0.5598 0.3505 -0.1312 -0.0695 0.0028 1146 HIS A NE2 +2016 N N . LEU A 266 ? 0.2737 0.5088 0.3297 -0.0308 -0.0390 -0.0469 1147 LEU A N +2017 C CA . LEU A 266 ? 0.2687 0.5085 0.3281 -0.0135 -0.0305 -0.0528 1147 LEU A CA +2018 C C . LEU A 266 ? 0.2831 0.5081 0.3365 -0.0050 -0.0277 -0.0555 1147 LEU A C +2019 O O . LEU A 266 ? 0.2717 0.5050 0.3293 0.0026 -0.0175 -0.0565 1147 LEU A O +2020 C CB . LEU A 266 ? 0.2869 0.5230 0.3444 -0.0063 -0.0373 -0.0574 1147 LEU A CB +2021 C CG . LEU A 266 ? 0.3596 0.6076 0.4220 0.0086 -0.0285 -0.0608 1147 LEU A CG +2022 C CD1 . LEU A 266 ? 0.3589 0.6318 0.4316 0.0081 -0.0198 -0.0582 1147 LEU A CD1 +2023 C CD2 . LEU A 266 ? 0.4094 0.6516 0.4669 0.0170 -0.0366 -0.0658 1147 LEU A CD2 +2024 N N . MET A 267 ? 0.2290 0.4319 0.2716 -0.0065 -0.0378 -0.0563 1148 MET A N +2025 C CA . MET A 267 ? 0.2141 0.4068 0.2506 0.0016 -0.0365 -0.0588 1148 MET A CA +2026 C C . MET A 267 ? 0.2629 0.4654 0.3044 -0.0046 -0.0268 -0.0547 1148 MET A C +2027 O O . MET A 267 ? 0.2704 0.4790 0.3144 0.0022 -0.0186 -0.0564 1148 MET A O +2028 C CB . MET A 267 ? 0.2564 0.4228 0.2786 0.0011 -0.0510 -0.0602 1148 MET A CB +2029 C CG . MET A 267 ? 0.2999 0.4518 0.3134 0.0086 -0.0635 -0.0661 1148 MET A CG +2030 S SD . MET A 267 ? 0.3781 0.4917 0.3707 0.0084 -0.0833 -0.0680 1148 MET A SD +2031 C CE . MET A 267 ? 0.3521 0.4492 0.3355 0.0134 -0.0988 -0.0750 1148 MET A CE +2032 N N . LYS A 268 ? 0.2138 0.4198 0.2562 -0.0184 -0.0283 -0.0490 1149 LYS A N +2033 C CA . LYS A 268 ? 0.1991 0.4173 0.2452 -0.0241 -0.0199 -0.0455 1149 LYS A CA +2034 C C . LYS A 268 ? 0.2553 0.4925 0.3105 -0.0169 -0.0075 -0.0483 1149 LYS A C +2035 O O . LYS A 268 ? 0.2532 0.4923 0.3084 -0.0142 -0.0010 -0.0496 1149 LYS A O +2036 C CB . LYS A 268 ? 0.2182 0.4424 0.2634 -0.0406 -0.0242 -0.0378 1149 LYS A CB +2037 C CG . LYS A 268 ? 0.2506 0.4509 0.2833 -0.0482 -0.0356 -0.0336 1149 LYS A CG +2038 C CD . LYS A 268 ? 0.2539 0.4603 0.2847 -0.0680 -0.0411 -0.0230 1149 LYS A CD +2039 C CE . LYS A 268 ? 0.2963 0.5193 0.3284 -0.0734 -0.0331 -0.0183 1149 LYS A CE +2040 N NZ . LYS A 268 ? 0.3072 0.5348 0.3345 -0.0939 -0.0400 -0.0060 1149 LYS A NZ +2041 N N . ASN A 269 ? 0.2085 0.4568 0.2698 -0.0130 -0.0056 -0.0496 1150 ASN A N +2042 C CA . ASN A 269 ? 0.1889 0.4494 0.2557 -0.0040 0.0037 -0.0525 1150 ASN A CA +2043 C C . ASN A 269 ? 0.2502 0.4983 0.3140 0.0050 0.0065 -0.0554 1150 ASN A C +2044 O O . ASN A 269 ? 0.2389 0.4877 0.3029 0.0083 0.0128 -0.0567 1150 ASN A O +2045 C CB . ASN A 269 ? 0.1789 0.4517 0.2510 -0.0003 0.0031 -0.0530 1150 ASN A CB +2046 C CG . ASN A 269 ? 0.3479 0.6427 0.4252 -0.0092 0.0019 -0.0496 1150 ASN A CG +2047 O OD1 . ASN A 269 ? 0.2649 0.5722 0.3430 -0.0163 0.0045 -0.0468 1150 ASN A OD1 +2048 N ND2 . ASN A 269 ? 0.2324 0.5367 0.3135 -0.0091 -0.0019 -0.0495 1150 ASN A ND2 +2049 N N . CYS A 270 ? 0.2143 0.4519 0.2743 0.0087 0.0009 -0.0565 1151 CYS A N +2050 C CA . CYS A 270 ? 0.2105 0.4435 0.2679 0.0158 0.0031 -0.0579 1151 CYS A CA +2051 C C . CYS A 270 ? 0.2472 0.4757 0.3015 0.0122 0.0044 -0.0576 1151 CYS A C +2052 O O . CYS A 270 ? 0.2613 0.4910 0.3152 0.0147 0.0082 -0.0576 1151 CYS A O +2053 C CB . CYS A 270 ? 0.2188 0.4482 0.2722 0.0227 -0.0035 -0.0600 1151 CYS A CB +2054 S SG . CYS A 270 ? 0.2632 0.4995 0.3199 0.0281 -0.0051 -0.0609 1151 CYS A SG +2055 N N . TRP A 271 ? 0.1925 0.4168 0.2439 0.0051 0.0005 -0.0564 1152 TRP A N +2056 C CA . TRP A 271 ? 0.1865 0.4074 0.2341 0.0015 0.0010 -0.0559 1152 TRP A CA +2057 C C . TRP A 271 ? 0.2506 0.4789 0.3008 -0.0040 0.0074 -0.0551 1152 TRP A C +2058 O O . TRP A 271 ? 0.2658 0.4929 0.3125 -0.0089 0.0066 -0.0539 1152 TRP A O +2059 C CB . TRP A 271 ? 0.1744 0.3836 0.2144 -0.0020 -0.0086 -0.0545 1152 TRP A CB +2060 C CG . TRP A 271 ? 0.1804 0.3795 0.2140 0.0066 -0.0170 -0.0575 1152 TRP A CG +2061 C CD1 . TRP A 271 ? 0.2104 0.4152 0.2441 0.0174 -0.0155 -0.0610 1152 TRP A CD1 +2062 C CD2 . TRP A 271 ? 0.1939 0.3755 0.2183 0.0057 -0.0295 -0.0575 1152 TRP A CD2 +2063 N NE1 . TRP A 271 ? 0.2187 0.4137 0.2441 0.0260 -0.0256 -0.0647 1152 TRP A NE1 +2064 C CE2 . TRP A 271 ? 0.2509 0.4279 0.2695 0.0193 -0.0353 -0.0632 1152 TRP A CE2 +2065 C CE3 . TRP A 271 ? 0.2185 0.3878 0.2378 -0.0060 -0.0374 -0.0528 1152 TRP A CE3 +2066 C CZ2 . TRP A 271 ? 0.2599 0.4158 0.2659 0.0240 -0.0497 -0.0663 1152 TRP A CZ2 +2067 C CZ3 . TRP A 271 ? 0.2579 0.4039 0.2651 -0.0046 -0.0522 -0.0540 1152 TRP A CZ3 +2068 C CH2 . TRP A 271 ? 0.2745 0.4118 0.2744 0.0114 -0.0587 -0.0617 1152 TRP A CH2 +2069 N N . GLU A 272 ? 0.2093 0.4453 0.2642 -0.0015 0.0131 -0.0563 1153 GLU A N +2070 C CA . GLU A 272 ? 0.2135 0.4567 0.2687 -0.0031 0.0183 -0.0577 1153 GLU A CA +2071 C C . GLU A 272 ? 0.2689 0.5049 0.3204 -0.0030 0.0202 -0.0599 1153 GLU A C +2072 O O . GLU A 272 ? 0.2622 0.4917 0.3134 -0.0002 0.0202 -0.0602 1153 GLU A O +2073 C CB . GLU A 272 ? 0.2271 0.4778 0.2855 0.0034 0.0223 -0.0601 1153 GLU A CB +2074 C CG . GLU A 272 ? 0.2702 0.5384 0.3327 0.0010 0.0218 -0.0581 1153 GLU A CG +2075 C CD . GLU A 272 ? 0.4858 0.7696 0.5477 -0.0059 0.0229 -0.0563 1153 GLU A CD +2076 O OE1 . GLU A 272 ? 0.3415 0.6389 0.4062 -0.0140 0.0200 -0.0513 1153 GLU A OE1 +2077 O OE2 . GLU A 272 ? 0.4748 0.7580 0.5328 -0.0045 0.0260 -0.0592 1153 GLU A OE2 +2078 N N . THR A 273 ? 0.2313 0.4711 0.2798 -0.0071 0.0214 -0.0606 1154 THR A N +2079 C CA . THR A 273 ? 0.2271 0.4618 0.2718 -0.0083 0.0223 -0.0630 1154 THR A CA +2080 C C . THR A 273 ? 0.2880 0.5148 0.3318 -0.0045 0.0245 -0.0665 1154 THR A C +2081 O O . THR A 273 ? 0.2956 0.5161 0.3385 -0.0064 0.0234 -0.0656 1154 THR A O +2082 C CB . THR A 273 ? 0.3147 0.5570 0.3558 -0.0124 0.0232 -0.0637 1154 THR A CB +2083 O OG1 . THR A 273 ? 0.3560 0.6019 0.3964 -0.0177 0.0194 -0.0582 1154 THR A OG1 +2084 C CG2 . THR A 273 ? 0.2961 0.5340 0.3329 -0.0143 0.0230 -0.0664 1154 THR A CG2 +2085 N N . GLU A 274 ? 0.2495 0.4771 0.2926 0.0010 0.0268 -0.0697 1155 GLU A N +2086 C CA . GLU A 274 ? 0.2507 0.4647 0.2897 0.0059 0.0268 -0.0728 1155 GLU A CA +2087 C C . GLU A 274 ? 0.2886 0.4978 0.3309 0.0079 0.0260 -0.0686 1155 GLU A C +2088 O O . GLU A 274 ? 0.2797 0.4980 0.3268 0.0111 0.0264 -0.0668 1155 GLU A O +2089 C CB . GLU A 274 ? 0.2736 0.4909 0.3087 0.0149 0.0282 -0.0790 1155 GLU A CB +2090 C CG . GLU A 274 ? 0.4783 0.7002 0.5076 0.0148 0.0286 -0.0845 1155 GLU A CG +2091 C CD . GLU A 274 ? 0.9012 1.1056 0.9237 0.0098 0.0257 -0.0872 1155 GLU A CD +2092 O OE1 . GLU A 274 ? 0.8610 1.0445 0.8787 0.0099 0.0224 -0.0878 1155 GLU A OE1 +2093 O OE2 . GLU A 274 ? 0.8926 1.1047 0.9140 0.0045 0.0259 -0.0880 1155 GLU A OE2 +2094 N N . ALA A 275 ? 0.2450 0.4421 0.2845 0.0045 0.0243 -0.0662 1156 ALA A N +2095 C CA . ALA A 275 ? 0.2436 0.4385 0.2849 0.0052 0.0236 -0.0608 1156 ALA A CA +2096 C C . ALA A 275 ? 0.2941 0.4824 0.3336 0.0140 0.0236 -0.0615 1156 ALA A C +2097 O O . ALA A 275 ? 0.2903 0.4864 0.3341 0.0179 0.0241 -0.0587 1156 ALA A O +2098 C CB . ALA A 275 ? 0.2551 0.4419 0.2928 -0.0031 0.0215 -0.0567 1156 ALA A CB +2099 N N . SER A 276 ? 0.2548 0.4293 0.2867 0.0189 0.0224 -0.0664 1157 SER A N +2100 C CA . SER A 276 ? 0.2546 0.4214 0.2820 0.0305 0.0214 -0.0685 1157 SER A CA +2101 C C . SER A 276 ? 0.2754 0.4651 0.3102 0.0384 0.0244 -0.0709 1157 SER A C +2102 O O . SER A 276 ? 0.2837 0.4741 0.3176 0.0482 0.0239 -0.0714 1157 SER A O +2103 C CB . SER A 276 ? 0.2948 0.4410 0.3099 0.0363 0.0178 -0.0755 1157 SER A CB +2104 O OG . SER A 276 ? 0.3736 0.5327 0.3893 0.0376 0.0198 -0.0824 1157 SER A OG +2105 N N . PHE A 277 ? 0.1984 0.4068 0.2397 0.0333 0.0267 -0.0717 1158 PHE A N +2106 C CA . PHE A 277 ? 0.1884 0.4203 0.2367 0.0361 0.0285 -0.0722 1158 PHE A CA +2107 C C . PHE A 277 ? 0.2456 0.4857 0.3013 0.0312 0.0274 -0.0667 1158 PHE A C +2108 O O . PHE A 277 ? 0.2277 0.4854 0.2889 0.0314 0.0273 -0.0660 1158 PHE A O +2109 C CB . PHE A 277 ? 0.1977 0.4450 0.2466 0.0322 0.0303 -0.0747 1158 PHE A CB +2110 C CG . PHE A 277 ? 0.2021 0.4777 0.2559 0.0354 0.0322 -0.0754 1158 PHE A CG +2111 C CD1 . PHE A 277 ? 0.2390 0.5240 0.2908 0.0492 0.0330 -0.0803 1158 PHE A CD1 +2112 C CD2 . PHE A 277 ? 0.2079 0.5020 0.2671 0.0246 0.0323 -0.0709 1158 PHE A CD2 +2113 C CE1 . PHE A 277 ? 0.2420 0.5611 0.2992 0.0519 0.0350 -0.0805 1158 PHE A CE1 +2114 C CE2 . PHE A 277 ? 0.2353 0.5603 0.2991 0.0244 0.0337 -0.0698 1158 PHE A CE2 +2115 C CZ . PHE A 277 ? 0.2184 0.5590 0.2823 0.0381 0.0356 -0.0746 1158 PHE A CZ +2116 N N . ARG A 278 ? 0.2098 0.4387 0.2650 0.0271 0.0258 -0.0631 1159 ARG A N +2117 C CA . ARG A 278 ? 0.1870 0.4219 0.2466 0.0255 0.0235 -0.0598 1159 ARG A CA +2118 C C . ARG A 278 ? 0.2266 0.4633 0.2872 0.0336 0.0232 -0.0588 1159 ARG A C +2119 O O . ARG A 278 ? 0.2217 0.4482 0.2776 0.0391 0.0242 -0.0587 1159 ARG A O +2120 C CB . ARG A 278 ? 0.1746 0.4029 0.2324 0.0214 0.0220 -0.0572 1159 ARG A CB +2121 C CG . ARG A 278 ? 0.2465 0.4749 0.3033 0.0146 0.0211 -0.0580 1159 ARG A CG +2122 C CD . ARG A 278 ? 0.1984 0.4251 0.2533 0.0124 0.0199 -0.0561 1159 ARG A CD +2123 N NE . ARG A 278 ? 0.1831 0.4085 0.2358 0.0068 0.0199 -0.0574 1159 ARG A NE +2124 C CZ . ARG A 278 ? 0.2665 0.4909 0.3172 0.0030 0.0206 -0.0565 1159 ARG A CZ +2125 N NH1 . ARG A 278 ? 0.1361 0.3612 0.1866 0.0026 0.0211 -0.0531 1159 ARG A NH1 +2126 N NH2 . ARG A 278 ? 0.1874 0.4119 0.2361 -0.0016 0.0203 -0.0582 1159 ARG A NH2 +2127 N N . PRO A 279 ? 0.1888 0.4357 0.2536 0.0345 0.0206 -0.0580 1160 PRO A N +2128 C CA . PRO A 279 ? 0.1876 0.4374 0.2528 0.0428 0.0202 -0.0570 1160 PRO A CA +2129 C C . PRO A 279 ? 0.2646 0.5043 0.3256 0.0445 0.0201 -0.0531 1160 PRO A C +2130 O O . PRO A 279 ? 0.2600 0.4956 0.3194 0.0391 0.0200 -0.0516 1160 PRO A O +2131 C CB . PRO A 279 ? 0.2006 0.4622 0.2704 0.0408 0.0158 -0.0574 1160 PRO A CB +2132 C CG . PRO A 279 ? 0.2565 0.5207 0.3279 0.0309 0.0138 -0.0580 1160 PRO A CG +2133 C CD . PRO A 279 ? 0.2010 0.4539 0.2686 0.0279 0.0164 -0.0579 1160 PRO A CD +2134 N N . THR A 280 ? 0.2521 0.4907 0.3109 0.0520 0.0201 -0.0506 1161 THR A N +2135 C CA . THR A 280 ? 0.2546 0.4881 0.3090 0.0521 0.0200 -0.0447 1161 THR A CA +2136 C C . THR A 280 ? 0.2961 0.5438 0.3533 0.0557 0.0175 -0.0448 1161 THR A C +2137 O O . THR A 280 ? 0.2939 0.5501 0.3554 0.0576 0.0151 -0.0492 1161 THR A O +2138 C CB . THR A 280 ? 0.3461 0.5667 0.3936 0.0577 0.0200 -0.0406 1161 THR A CB +2139 O OG1 . THR A 280 ? 0.4150 0.6435 0.4640 0.0678 0.0191 -0.0426 1161 THR A OG1 +2140 C CG2 . THR A 280 ? 0.2727 0.4741 0.3141 0.0557 0.0202 -0.0422 1161 THR A CG2 +2141 N N . PHE A 281 ? 0.2399 0.4922 0.2941 0.0561 0.0173 -0.0401 1162 PHE A N +2142 C CA . PHE A 281 ? 0.2201 0.4868 0.2748 0.0623 0.0142 -0.0414 1162 PHE A CA +2143 C C . PHE A 281 ? 0.3046 0.5752 0.3592 0.0702 0.0133 -0.0408 1162 PHE A C +2144 O O . PHE A 281 ? 0.2912 0.5709 0.3480 0.0747 0.0094 -0.0457 1162 PHE A O +2145 C CB . PHE A 281 ? 0.2278 0.5052 0.2788 0.0624 0.0149 -0.0361 1162 PHE A CB +2146 C CG . PHE A 281 ? 0.2253 0.5070 0.2765 0.0588 0.0139 -0.0392 1162 PHE A CG +2147 C CD1 . PHE A 281 ? 0.2465 0.5299 0.2978 0.0631 0.0087 -0.0474 1162 PHE A CD1 +2148 C CD2 . PHE A 281 ? 0.2368 0.5199 0.2869 0.0510 0.0169 -0.0337 1162 PHE A CD2 +2149 C CE1 . PHE A 281 ? 0.2575 0.5430 0.3070 0.0622 0.0066 -0.0505 1162 PHE A CE1 +2150 C CE2 . PHE A 281 ? 0.2654 0.5557 0.3158 0.0493 0.0158 -0.0369 1162 PHE A CE2 +2151 C CZ . PHE A 281 ? 0.2454 0.5365 0.2951 0.0562 0.0107 -0.0455 1162 PHE A CZ +2152 N N A GLU A 282 ? 0.2834 0.5452 0.3342 0.0721 0.0156 -0.0350 1163 GLU A N +2153 N N B GLU A 282 ? 0.2835 0.5452 0.3343 0.0720 0.0156 -0.0350 1163 GLU A N +2154 C CA A GLU A 282 ? 0.2936 0.5578 0.3428 0.0813 0.0146 -0.0337 1163 GLU A CA +2155 C CA B GLU A 282 ? 0.2943 0.5579 0.3434 0.0812 0.0147 -0.0336 1163 GLU A CA +2156 C C A GLU A 282 ? 0.3414 0.6131 0.3970 0.0848 0.0130 -0.0415 1163 GLU A C +2157 C C B GLU A 282 ? 0.3409 0.6125 0.3965 0.0848 0.0130 -0.0415 1163 GLU A C +2158 O O A GLU A 282 ? 0.3430 0.6273 0.4004 0.0915 0.0105 -0.0432 1163 GLU A O +2159 O O B GLU A 282 ? 0.3414 0.6256 0.3987 0.0913 0.0104 -0.0432 1163 GLU A O +2160 C CB A GLU A 282 ? 0.3289 0.5746 0.3699 0.0826 0.0156 -0.0266 1163 GLU A CB +2161 C CB B GLU A 282 ? 0.3298 0.5741 0.3709 0.0822 0.0157 -0.0271 1163 GLU A CB +2162 C CG A GLU A 282 ? 0.4741 0.7216 0.5094 0.0920 0.0139 -0.0209 1163 GLU A CG +2163 C CG B GLU A 282 ? 0.4805 0.7241 0.5168 0.0935 0.0138 -0.0240 1163 GLU A CG +2164 C CD A GLU A 282 ? 0.6724 0.9315 0.7041 0.0906 0.0139 -0.0125 1163 GLU A CD +2165 C CD B GLU A 282 ? 0.8102 1.0277 0.8354 0.0963 0.0123 -0.0189 1163 GLU A CD +2166 O OE1 A GLU A 282 ? 0.4664 0.7200 0.4936 0.0813 0.0150 -0.0042 1163 GLU A OE1 +2167 O OE1 B GLU A 282 ? 0.7957 0.9991 0.8125 0.0894 0.0113 -0.0089 1163 GLU A OE1 +2168 O OE2 A GLU A 282 ? 0.5450 0.8215 0.5781 0.0987 0.0125 -0.0139 1163 GLU A OE2 +2169 O OE2 B GLU A 282 ? 0.7184 0.9300 0.7422 0.1056 0.0110 -0.0248 1163 GLU A OE2 +2170 N N . ASN A 283 ? 0.2948 0.5622 0.3538 0.0794 0.0142 -0.0457 1164 ASN A N +2171 C CA . ASN A 283 ? 0.2999 0.5801 0.3656 0.0796 0.0129 -0.0513 1164 ASN A CA +2172 C C . ASN A 283 ? 0.3354 0.6247 0.4062 0.0719 0.0086 -0.0550 1164 ASN A C +2173 O O . ASN A 283 ? 0.3326 0.6356 0.4085 0.0704 0.0057 -0.0578 1164 ASN A O +2174 C CB . ASN A 283 ? 0.3510 0.6266 0.4167 0.0790 0.0159 -0.0535 1164 ASN A CB +2175 C CG . ASN A 283 ? 0.6985 0.9607 0.7561 0.0891 0.0171 -0.0516 1164 ASN A CG +2176 O OD1 . ASN A 283 ? 0.6182 0.8836 0.6731 0.0995 0.0156 -0.0501 1164 ASN A OD1 +2177 N ND2 . ASN A 283 ? 0.6087 0.8528 0.6605 0.0867 0.0185 -0.0517 1164 ASN A ND2 +2178 N N . LEU A 284 ? 0.2849 0.5663 0.3529 0.0672 0.0071 -0.0548 1165 LEU A N +2179 C CA . LEU A 284 ? 0.2776 0.5601 0.3463 0.0618 0.0006 -0.0588 1165 LEU A CA +2180 C C . LEU A 284 ? 0.3137 0.6039 0.3809 0.0678 -0.0057 -0.0615 1165 LEU A C +2181 O O . LEU A 284 ? 0.3133 0.6037 0.3808 0.0630 -0.0133 -0.0654 1165 LEU A O +2182 C CB . LEU A 284 ? 0.2763 0.5484 0.3407 0.0584 0.0001 -0.0589 1165 LEU A CB +2183 C CG . LEU A 284 ? 0.3234 0.5880 0.3892 0.0493 0.0024 -0.0587 1165 LEU A CG +2184 C CD1 . LEU A 284 ? 0.3191 0.5768 0.3807 0.0484 0.0040 -0.0576 1165 LEU A CD1 +2185 C CD2 . LEU A 284 ? 0.3326 0.5961 0.3996 0.0410 -0.0042 -0.0612 1165 LEU A CD2 +2186 N N . ILE A 285 ? 0.2672 0.5625 0.3313 0.0774 -0.0035 -0.0589 1166 ILE A N +2187 C CA . ILE A 285 ? 0.2711 0.5761 0.3326 0.0853 -0.0089 -0.0615 1166 ILE A CA +2188 C C . ILE A 285 ? 0.3206 0.6355 0.3872 0.0839 -0.0138 -0.0649 1166 ILE A C +2189 O O . ILE A 285 ? 0.3228 0.6375 0.3875 0.0817 -0.0227 -0.0703 1166 ILE A O +2190 C CB . ILE A 285 ? 0.3116 0.6233 0.3685 0.0949 -0.0048 -0.0559 1166 ILE A CB +2191 C CG1 . ILE A 285 ? 0.3052 0.6136 0.3577 0.0937 -0.0010 -0.0516 1166 ILE A CG1 +2192 C CG2 . ILE A 285 ? 0.3114 0.6363 0.3651 0.1044 -0.0104 -0.0592 1166 ILE A CG2 +2193 C CD1 . ILE A 285 ? 0.3144 0.6240 0.3635 0.0956 0.0049 -0.0415 1166 ILE A CD1 +2194 N N . PRO A 286 ? 0.2851 0.6089 0.3570 0.0851 -0.0093 -0.0622 1167 PRO A N +2195 C CA . PRO A 286 ? 0.2873 0.6279 0.3652 0.0830 -0.0141 -0.0651 1167 PRO A CA +2196 C C . PRO A 286 ? 0.3338 0.6739 0.4155 0.0681 -0.0201 -0.0677 1167 PRO A C +2197 O O . PRO A 286 ? 0.3339 0.6833 0.4176 0.0630 -0.0284 -0.0704 1167 PRO A O +2198 C CB . PRO A 286 ? 0.3078 0.6586 0.3894 0.0891 -0.0074 -0.0621 1167 PRO A CB +2199 C CG . PRO A 286 ? 0.3645 0.6994 0.4394 0.0964 -0.0012 -0.0575 1167 PRO A CG +2200 C CD . PRO A 286 ? 0.3070 0.6263 0.3782 0.0894 -0.0013 -0.0572 1167 PRO A CD +2201 N N . ILE A 287 ? 0.2883 0.6170 0.3700 0.0601 -0.0170 -0.0660 1168 ILE A N +2202 C CA . ILE A 287 ? 0.2998 0.6253 0.3832 0.0447 -0.0227 -0.0663 1168 ILE A CA +2203 C C . ILE A 287 ? 0.3708 0.6791 0.4464 0.0409 -0.0344 -0.0703 1168 ILE A C +2204 O O . ILE A 287 ? 0.3863 0.6958 0.4621 0.0300 -0.0443 -0.0713 1168 ILE A O +2205 C CB . ILE A 287 ? 0.3402 0.6586 0.4243 0.0390 -0.0160 -0.0634 1168 ILE A CB +2206 C CG1 . ILE A 287 ? 0.3457 0.6859 0.4373 0.0387 -0.0092 -0.0612 1168 ILE A CG1 +2207 C CG2 . ILE A 287 ? 0.3515 0.6563 0.4323 0.0248 -0.0233 -0.0630 1168 ILE A CG2 +2208 C CD1 . ILE A 287 ? 0.4869 0.8324 0.5784 0.0540 -0.0018 -0.0614 1168 ILE A CD1 +2209 N N . LEU A 288 ? 0.3234 0.6169 0.3911 0.0504 -0.0342 -0.0728 1169 LEU A N +2210 C CA . LEU A 288 ? 0.3338 0.6109 0.3913 0.0522 -0.0461 -0.0788 1169 LEU A CA +2211 C C . LEU A 288 ? 0.3824 0.6667 0.4376 0.0575 -0.0545 -0.0836 1169 LEU A C +2212 O O . LEU A 288 ? 0.3902 0.6601 0.4373 0.0540 -0.0682 -0.0892 1169 LEU A O +2213 C CB . LEU A 288 ? 0.3345 0.6019 0.3845 0.0628 -0.0433 -0.0805 1169 LEU A CB +2214 C CG . LEU A 288 ? 0.3970 0.6513 0.4458 0.0554 -0.0410 -0.0782 1169 LEU A CG +2215 C CD1 . LEU A 288 ? 0.3914 0.6499 0.4399 0.0633 -0.0312 -0.0756 1169 LEU A CD1 +2216 C CD2 . LEU A 288 ? 0.4460 0.6780 0.4840 0.0523 -0.0547 -0.0833 1169 LEU A CD2 +2217 N N . LYS A 289 ? 0.3342 0.6389 0.3952 0.0657 -0.0475 -0.0815 1170 LYS A N +2218 C CA . LYS A 289 ? 0.3395 0.6560 0.3997 0.0709 -0.0545 -0.0855 1170 LYS A CA +2219 C C . LYS A 289 ? 0.3855 0.7080 0.4509 0.0551 -0.0634 -0.0858 1170 LYS A C +2220 O O . LYS A 289 ? 0.4021 0.7186 0.4616 0.0525 -0.0767 -0.0916 1170 LYS A O +2221 C CB . LYS A 289 ? 0.3697 0.7063 0.4343 0.0832 -0.0446 -0.0816 1170 LYS A CB +2222 C CG . LYS A 289 ? 0.4911 0.8267 0.5478 0.0980 -0.0412 -0.0817 1170 LYS A CG +2223 C CD . LYS A 289 ? 0.5074 0.8588 0.5663 0.1083 -0.0328 -0.0757 1170 LYS A CD +2224 C CE . LYS A 289 ? 0.5302 0.8841 0.5809 0.1201 -0.0299 -0.0735 1170 LYS A CE +2225 N NZ . LYS A 289 ? 0.5863 0.9493 0.6371 0.1275 -0.0218 -0.0646 1170 LYS A NZ +2226 N N A THR A 290 ? 0.3258 0.6610 0.4013 0.0445 -0.0568 -0.0796 1171 THR A N +2227 N N B THR A 290 ? 0.3281 0.6636 0.4037 0.0444 -0.0569 -0.0796 1171 THR A N +2228 C CA A THR A 290 ? 0.3299 0.6796 0.4124 0.0271 -0.0631 -0.0771 1171 THR A CA +2229 C CA B THR A 290 ? 0.3343 0.6836 0.4164 0.0269 -0.0642 -0.0775 1171 THR A CA +2230 C C A THR A 290 ? 0.4078 0.7324 0.4824 0.0101 -0.0771 -0.0779 1171 THR A C +2231 C C B THR A 290 ? 0.4095 0.7344 0.4843 0.0093 -0.0773 -0.0777 1171 THR A C +2232 O O A THR A 290 ? 0.4212 0.7470 0.4946 -0.0027 -0.0903 -0.0789 1171 THR A O +2233 O O B THR A 290 ? 0.4225 0.7494 0.4967 -0.0048 -0.0901 -0.0780 1171 THR A O +2234 C CB A THR A 290 ? 0.4021 0.7756 0.4958 0.0239 -0.0511 -0.0706 1171 THR A CB +2235 C CB B THR A 290 ? 0.4218 0.8026 0.5168 0.0246 -0.0534 -0.0715 1171 THR A CB +2236 O OG1 A THR A 290 ? 0.3930 0.7830 0.4903 0.0415 -0.0412 -0.0707 1171 THR A OG1 +2237 O OG1 B THR A 290 ? 0.3961 0.8001 0.4979 0.0092 -0.0612 -0.0695 1171 THR A OG1 +2238 C CG2 A THR A 290 ? 0.3590 0.7580 0.4614 0.0057 -0.0562 -0.0665 1171 THR A CG2 +2239 C CG2 B THR A 290 ? 0.4064 0.7817 0.5032 0.0199 -0.0445 -0.0670 1171 THR A CG2 +2240 N N . VAL A 291 ? 0.3635 0.6642 0.4317 0.0095 -0.0753 -0.0772 1172 VAL A N +2241 C CA . VAL A 291 ? 0.3773 0.6485 0.4352 -0.0044 -0.0886 -0.0772 1172 VAL A CA +2242 C C . VAL A 291 ? 0.4298 0.6754 0.4728 0.0026 -0.1048 -0.0867 1172 VAL A C +2243 O O . VAL A 291 ? 0.4449 0.6716 0.4798 -0.0119 -0.1216 -0.0876 1172 VAL A O +2244 C CB . VAL A 291 ? 0.4259 0.6817 0.4810 -0.0043 -0.0816 -0.0741 1172 VAL A CB +2245 C CG1 . VAL A 291 ? 0.4496 0.6730 0.4921 -0.0177 -0.0966 -0.0735 1172 VAL A CG1 +2246 C CG2 . VAL A 291 ? 0.4095 0.6909 0.4776 -0.0107 -0.0674 -0.0662 1172 VAL A CG2 +2247 N N . HIS A 292 ? 0.3892 0.6360 0.4279 0.0244 -0.1007 -0.0936 1173 HIS A N +2248 C CA . HIS A 292 ? 0.4276 0.6561 0.4514 0.0361 -0.1150 -0.1044 1173 HIS A CA +2249 C C . HIS A 292 ? 0.5171 0.7516 0.5407 0.0277 -0.1280 -0.1076 1173 HIS A C +2250 O O . HIS A 292 ? 0.5497 0.7575 0.5584 0.0259 -0.1469 -0.1154 1173 HIS A O +2251 C CB . HIS A 292 ? 0.4290 0.6691 0.4505 0.0605 -0.1053 -0.1089 1173 HIS A CB +2252 C CG . HIS A 292 ? 0.4944 0.7295 0.5032 0.0750 -0.1176 -0.1200 1173 HIS A CG +2253 N ND1 . HIS A 292 ? 0.5121 0.7718 0.5256 0.0833 -0.1145 -0.1213 1173 HIS A ND1 +2254 C CD2 . HIS A 292 ? 0.5428 0.7505 0.5331 0.0833 -0.1338 -0.1308 1173 HIS A CD2 +2255 C CE1 . HIS A 292 ? 0.5256 0.7745 0.5242 0.0959 -0.1281 -0.1328 1173 HIS A CE1 +2256 N NE2 . HIS A 292 ? 0.5500 0.7670 0.5337 0.0972 -0.1405 -0.1395 1173 HIS A NE2 +2257 N N . GLU A 293 ? 0.4649 0.7337 0.5038 0.0234 -0.1188 -0.1021 1174 GLU A N +2258 C CA . GLU A 293 ? 0.4766 0.7604 0.5187 0.0147 -0.1290 -0.1038 1174 GLU A CA +2259 C C . GLU A 293 ? 0.5365 0.8089 0.5775 -0.0132 -0.1437 -0.0993 1174 GLU A C +2260 O O . GLU A 293 ? 0.5609 0.8231 0.5943 -0.0219 -0.1614 -0.1042 1174 GLU A O +2261 C CB . GLU A 293 ? 0.4727 0.7994 0.5314 0.0197 -0.1143 -0.0985 1174 GLU A CB +2262 C CG . GLU A 293 ? 0.6452 0.9826 0.7023 0.0449 -0.1050 -0.1025 1174 GLU A CG +2263 C CD . GLU A 293 ? 1.0305 1.3602 1.0754 0.0562 -0.1177 -0.1130 1174 GLU A CD +2264 O OE1 . GLU A 293 ? 0.9509 1.2970 0.9988 0.0517 -0.1257 -0.1153 1174 GLU A OE1 +2265 O OE2 . GLU A 293 ? 1.0364 1.3464 1.0686 0.0703 -0.1201 -0.1193 1174 GLU A OE2 +2266 N N . LYS A 294 ? 0.4811 0.7556 0.5287 -0.0280 -0.1371 -0.0895 1175 LYS A N +2267 C CA . LYS A 294 ? 0.4972 0.7647 0.5444 -0.0572 -0.1490 -0.0815 1175 LYS A CA +2268 C C . LYS A 294 ? 0.5958 0.8113 0.6210 -0.0649 -0.1722 -0.0869 1175 LYS A C +2269 O O . LYS A 294 ? 0.6169 0.8226 0.6372 -0.0877 -0.1901 -0.0841 1175 LYS A O +2270 C CB . LYS A 294 ? 0.5079 0.7873 0.5643 -0.0656 -0.1350 -0.0708 1175 LYS A CB +2271 C CG . LYS A 294 ? 0.5809 0.8632 0.6391 -0.0971 -0.1441 -0.0593 1175 LYS A CG +2272 C CD . LYS A 294 ? 0.6327 0.9228 0.6965 -0.1012 -0.1305 -0.0506 1175 LYS A CD +2273 C CE . LYS A 294 ? 0.7538 1.0502 0.8187 -0.1329 -0.1390 -0.0374 1175 LYS A CE +2274 N NZ . LYS A 294 ? 0.8520 1.2071 0.9365 -0.1406 -0.1247 -0.0286 1175 LYS A NZ +2275 N N . TYR A 295 ? 0.5710 0.7539 0.5821 -0.0458 -0.1729 -0.0947 1176 TYR A N +2276 C CA . TYR A 295 ? 0.6138 0.7441 0.6010 -0.0465 -0.1948 -0.1018 1176 TYR A CA +2277 C C . TYR A 295 ? 0.7248 0.8355 0.6957 -0.0268 -0.2091 -0.1177 1176 TYR A C +2278 O O . TYR A 295 ? 0.7622 0.8267 0.7105 -0.0264 -0.2307 -0.1254 1176 TYR A O +2279 C CB . TYR A 295 ? 0.6161 0.7232 0.5958 -0.0386 -0.1894 -0.1003 1176 TYR A CB +2280 C CG . TYR A 295 ? 0.6119 0.7327 0.6036 -0.0595 -0.1792 -0.0853 1176 TYR A CG +2281 C CD1 . TYR A 295 ? 0.6634 0.7629 0.6479 -0.0877 -0.1946 -0.0760 1176 TYR A CD1 +2282 C CD2 . TYR A 295 ? 0.5775 0.7323 0.5862 -0.0516 -0.1553 -0.0801 1176 TYR A CD2 +2283 C CE1 . TYR A 295 ? 0.6514 0.7686 0.6465 -0.1065 -0.1848 -0.0617 1176 TYR A CE1 +2284 C CE2 . TYR A 295 ? 0.5750 0.7451 0.5937 -0.0688 -0.1462 -0.0677 1176 TYR A CE2 +2285 C CZ . TYR A 295 ? 0.6936 0.8473 0.7060 -0.0957 -0.1604 -0.0584 1176 TYR A CZ +2286 O OH . TYR A 295 ? 0.7088 0.8820 0.7305 -0.1121 -0.1510 -0.0458 1176 TYR A OH +2287 N N . ARG A 296 ? 0.6826 0.8269 0.6631 -0.0102 -0.1986 -0.1228 1177 ARG A N +2288 C CA . ARG A 296 ? 0.7128 0.8454 0.6785 0.0099 -0.2109 -0.1380 1177 ARG A CA +2289 C C . ARG A 296 ? 0.8224 0.9283 0.7744 -0.0069 -0.2379 -0.1434 1177 ARG A C +2290 O O . ARG A 296 ? 0.8222 0.9414 0.7850 -0.0345 -0.2416 -0.1334 1177 ARG A O +2291 C CB . ARG A 296 ? 0.6916 0.8677 0.6702 0.0299 -0.1936 -0.1402 1177 ARG A CB +2292 C CG . ARG A 296 ? 0.8528 1.0625 0.8456 0.0178 -0.1929 -0.1363 1177 ARG A CG +2293 C CD . ARG A 296 ? 1.0522 1.2916 1.0485 0.0412 -0.1839 -0.1422 1177 ARG A CD +2294 N NE . ARG A 296 ? 1.2503 1.5157 1.2550 0.0315 -0.1892 -0.1419 1177 ARG A NE +2295 C CZ . ARG A 296 ? 1.4932 1.7876 1.5018 0.0481 -0.1833 -0.1456 1177 ARG A CZ +2296 N NH1 . ARG A 296 ? 1.3606 1.6621 1.3655 0.0739 -0.1717 -0.1488 1177 ARG A NH1 +2297 N NH2 . ARG A 296 ? 1.3467 1.6655 1.3630 0.0383 -0.1893 -0.1452 1177 ARG A NH2 +2298 N N . HIS A 297 ? 0.8238 0.8924 0.7511 0.0097 -0.2576 -0.1591 1178 HIS A N +2299 C CA . HIS A 297 ? 1.3953 1.4278 1.3030 -0.0016 -0.2874 -0.1680 1178 HIS A CA +2300 C C . HIS A 297 ? 1.8112 1.8144 1.7151 -0.0389 -0.3042 -0.1566 1178 HIS A C +2301 O O . HIS A 297 ? 1.3589 1.3056 1.2369 -0.0436 -0.3294 -0.1627 1178 HIS A O +2302 C CB . HIS A 297 ? 1.3997 1.4642 1.3147 0.0019 -0.2887 -0.1739 1178 HIS A CB +2303 C CG . HIS A 297 ? 1.4336 1.5124 1.3420 0.0387 -0.2819 -0.1880 1178 HIS A CG +2304 N ND1 . HIS A 297 ? 1.4981 1.5427 1.3793 0.0580 -0.3038 -0.2068 1178 HIS A ND1 +2305 C CD2 . HIS A 297 ? 1.4141 1.5376 1.3384 0.0583 -0.2567 -0.1851 1178 HIS A CD2 +2306 C CE1 . HIS A 297 ? 1.4689 1.5441 1.3518 0.0886 -0.2899 -0.2142 1178 HIS A CE1 +2307 N NE2 . HIS A 297 ? 1.4228 1.5444 1.3311 0.0885 -0.2618 -0.2007 1178 HIS A NE2 +2332 C C4 . 0X2 G . ? 0.4859 1.2512 0.4276 0.3307 -0.0459 -0.1382 1206 0X2 A C4 +2333 C C5 . 0X2 G . ? 0.4972 1.2905 0.4311 0.3523 -0.0516 -0.1476 1206 0X2 A C5 +2334 C C6 . 0X2 G . ? 0.4841 1.2567 0.4242 0.3384 -0.0508 -0.1438 1206 0X2 A C6 +2335 C C11 . 0X2 G . ? 0.4333 1.2938 0.3432 0.3932 -0.0514 -0.1553 1206 0X2 A C11 +2336 C C7 . 0X2 G . ? 0.4996 1.2851 0.4326 0.3480 -0.0482 -0.1438 1206 0X2 A C7 +2337 C C8 . 0X2 G . ? 0.4517 1.3069 0.3891 0.3474 -0.0360 -0.1304 1206 0X2 A C8 +2338 C C9 . 0X2 G . ? 0.4202 1.3095 0.3709 0.3244 -0.0223 -0.1095 1206 0X2 A C9 +2339 C C10 . 0X2 G . ? 0.3946 1.3049 0.3382 0.3368 -0.0228 -0.1111 1206 0X2 A C10 +2340 C C12 . 0X2 G . ? 0.4590 1.2977 0.3752 0.3818 -0.0512 -0.1531 1206 0X2 A C12 +2341 N N1 . 0X2 G . ? 0.4619 1.2944 0.4063 0.3338 -0.0354 -0.1277 1206 0X2 A N1 +2342 N N2 . 0X2 G . ? 0.4002 1.2983 0.3244 0.3708 -0.0367 -0.1340 1206 0X2 A N2 +2343 C C3 . 0X2 G . ? 0.4779 1.1919 0.4325 0.2973 -0.0404 -0.1265 1206 0X2 A C3 +2344 O O2 . 0X2 G . ? 0.4357 1.2781 0.3253 0.4239 -0.0665 -0.1768 1206 0X2 A O2 +2345 O O1 . 0X2 G . ? 0.5452 1.3004 0.4588 0.3752 -0.0635 -0.1636 1206 0X2 A O1 +2346 CL CL2 . 0X2 G . ? 0.4858 1.1652 0.4493 0.2730 -0.0341 -0.1157 1206 0X2 A CL2 +2347 C C2 . 0X2 G . ? 0.4533 1.1470 0.4140 0.2836 -0.0395 -0.1232 1206 0X2 A C2 +2348 CL CL1 . 0X2 G . ? 0.5352 1.3966 0.4500 0.4004 -0.0599 -0.1652 1206 0X2 A CL1 +2349 C C1 . 0X2 G . ? 0.4537 1.1760 0.4072 0.3036 -0.0447 -0.1315 1206 0X2 A C1 +# +loop_ +_pdbx_poly_seq_scheme.asym_id +_pdbx_poly_seq_scheme.entity_id +_pdbx_poly_seq_scheme.seq_id +_pdbx_poly_seq_scheme.mon_id +_pdbx_poly_seq_scheme.ndb_seq_num +_pdbx_poly_seq_scheme.pdb_seq_num +_pdbx_poly_seq_scheme.auth_seq_num +_pdbx_poly_seq_scheme.pdb_mon_id +_pdbx_poly_seq_scheme.auth_mon_id +_pdbx_poly_seq_scheme.pdb_strand_id +_pdbx_poly_seq_scheme.pdb_ins_code +_pdbx_poly_seq_scheme.hetero +A 1 1 MET 1 882 ? ? ? A . n +A 1 2 GLY 2 883 ? ? ? A . n +A 1 3 SER 3 884 ? ? ? A . n +A 1 4 PRO 4 885 ? ? ? A . n +A 1 5 ALA 5 886 ? ? ? A . n +A 1 6 SER 6 887 ? ? ? A . n +A 1 7 ASP 7 888 ? ? ? A . n +A 1 8 PRO 8 889 ? ? ? A . n +A 1 9 THR 9 890 890 THR THR A . n +A 1 10 VAL 10 891 891 VAL VAL A . n +A 1 11 PHE 11 892 892 PHE PHE A . n +A 1 12 HIS 12 893 893 HIS HIS A . n +A 1 13 LYS 13 894 894 LYS LYS A . n +A 1 14 ARG 14 895 895 ARG ARG A . n +A 1 15 TYR 15 896 896 TYR TYR A . n +A 1 16 LEU 16 897 897 LEU LEU A . n +A 1 17 LYS 17 898 898 LYS LYS A . n +A 1 18 LYS 18 899 899 LYS LYS A . n +A 1 19 ILE 19 900 900 ILE ILE A . n +A 1 20 ARG 20 901 901 ARG ARG A . n +A 1 21 ASP 21 902 902 ASP ASP A . n +A 1 22 LEU 22 903 903 LEU LEU A . n +A 1 23 GLY 23 904 904 GLY GLY A . n +A 1 24 GLU 24 905 905 GLU GLU A . n +A 1 25 GLY 25 906 906 GLY GLY A . n +A 1 26 HIS 26 907 907 HIS HIS A . n +A 1 27 PHE 27 908 908 PHE PHE A . n +A 1 28 GLY 28 909 909 GLY GLY A . n +A 1 29 LYS 29 910 910 LYS LYS A . n +A 1 30 VAL 30 911 911 VAL VAL A . n +A 1 31 SER 31 912 912 SER SER A . n +A 1 32 LEU 32 913 913 LEU LEU A . n +A 1 33 TYR 33 914 914 TYR TYR A . n +A 1 34 CYS 34 915 915 CYS CYS A . n +A 1 35 TYR 35 916 916 TYR TYR A . n +A 1 36 ASP 36 917 917 ASP ASP A . n +A 1 37 PRO 37 918 918 PRO PRO A . n +A 1 38 THR 38 919 919 THR THR A . n +A 1 39 ASN 39 920 920 ASN ASN A . n +A 1 40 ASP 40 921 921 ASP ASP A . n +A 1 41 GLY 41 922 922 GLY GLY A . n +A 1 42 THR 42 923 923 THR THR A . n +A 1 43 GLY 43 924 924 GLY GLY A . n +A 1 44 GLU 44 925 925 GLU GLU A . n +A 1 45 MET 45 926 926 MET MET A . n +A 1 46 VAL 46 927 927 VAL VAL A . n +A 1 47 ALA 47 928 928 ALA ALA A . n +A 1 48 VAL 48 929 929 VAL VAL A . n +A 1 49 LYS 49 930 930 LYS LYS A . n +A 1 50 ALA 50 931 931 ALA ALA A . n +A 1 51 LEU 51 932 932 LEU LEU A . n +A 1 52 LYS 52 933 ? ? ? A . n +A 1 53 ALA 53 934 ? ? ? A . n +A 1 54 ASP 54 935 ? ? ? A . n +A 1 55 CYS 55 936 ? ? ? A . n +A 1 56 GLY 56 937 ? ? ? A . n +A 1 57 PRO 57 938 ? ? ? A . n +A 1 58 GLN 58 939 ? ? ? A . n +A 1 59 HIS 59 940 ? ? ? A . n +A 1 60 ARG 60 941 ? ? ? A . n +A 1 61 SER 61 942 ? ? ? A . n +A 1 62 GLY 62 943 ? ? ? A . n +A 1 63 TRP 63 944 944 TRP TRP A . n +A 1 64 LYS 64 945 945 LYS LYS A . n +A 1 65 GLN 65 946 946 GLN GLN A . n +A 1 66 GLU 66 947 947 GLU GLU A . n +A 1 67 ILE 67 948 948 ILE ILE A . n +A 1 68 ASP 68 949 949 ASP ASP A . n +A 1 69 ILE 69 950 950 ILE ILE A . n +A 1 70 LEU 70 951 951 LEU LEU A . n +A 1 71 ARG 71 952 952 ARG ARG A . n +A 1 72 THR 72 953 953 THR THR A . n +A 1 73 LEU 73 954 954 LEU LEU A . n +A 1 74 TYR 74 955 955 TYR TYR A . n +A 1 75 HIS 75 956 956 HIS HIS A . n +A 1 76 GLU 76 957 957 GLU GLU A . n +A 1 77 HIS 77 958 958 HIS HIS A . n +A 1 78 ILE 78 959 959 ILE ILE A . n +A 1 79 ILE 79 960 960 ILE ILE A . n +A 1 80 LYS 80 961 961 LYS LYS A . n +A 1 81 TYR 81 962 962 TYR TYR A . n +A 1 82 LYS 82 963 963 LYS LYS A . n +A 1 83 GLY 83 964 964 GLY GLY A . n +A 1 84 CYS 84 965 965 CYS CYS A . n +A 1 85 CYS 85 966 966 CYS CYS A . n +A 1 86 GLU 86 967 967 GLU GLU A . n +A 1 87 ASP 87 968 ? ? ? A . n +A 1 88 GLN 88 969 ? ? ? A . n +A 1 89 GLY 89 970 ? ? ? A . n +A 1 90 GLU 90 971 ? ? ? A . n +A 1 91 LYS 91 972 ? ? ? A . n +A 1 92 SER 92 973 ? ? ? A . n +A 1 93 LEU 93 974 974 LEU LEU A . n +A 1 94 GLN 94 975 975 GLN GLN A . n +A 1 95 LEU 95 976 976 LEU LEU A . n +A 1 96 VAL 96 977 977 VAL VAL A . n +A 1 97 MET 97 978 978 MET MET A . n +A 1 98 GLU 98 979 979 GLU GLU A . n +A 1 99 TYR 99 980 980 TYR TYR A . n +A 1 100 VAL 100 981 981 VAL VAL A . n +A 1 101 PRO 101 982 982 PRO PRO A . n +A 1 102 LEU 102 983 983 LEU LEU A . n +A 1 103 GLY 103 984 984 GLY GLY A . n +A 1 104 SER 104 985 985 SER SER A . n +A 1 105 LEU 105 986 986 LEU LEU A . n +A 1 106 ARG 106 987 987 ARG ARG A . n +A 1 107 ASP 107 988 988 ASP ASP A . n +A 1 108 TYR 108 989 989 TYR TYR A . n +A 1 109 LEU 109 990 990 LEU LEU A . n +A 1 110 PRO 110 991 991 PRO PRO A . n +A 1 111 ARG 111 992 992 ARG ARG A . n +A 1 112 HIS 112 993 993 HIS HIS A . n +A 1 113 SER 113 994 994 SER SER A . n +A 1 114 ILE 114 995 995 ILE ILE A . n +A 1 115 GLY 115 996 996 GLY GLY A . n +A 1 116 LEU 116 997 997 LEU LEU A . n +A 1 117 ALA 117 998 998 ALA ALA A . n +A 1 118 GLN 118 999 999 GLN GLN A . n +A 1 119 LEU 119 1000 1000 LEU LEU A . n +A 1 120 LEU 120 1001 1001 LEU LEU A . n +A 1 121 LEU 121 1002 1002 LEU LEU A . n +A 1 122 PHE 122 1003 1003 PHE PHE A . n +A 1 123 ALA 123 1004 1004 ALA ALA A . n +A 1 124 GLN 124 1005 1005 GLN GLN A . n +A 1 125 GLN 125 1006 1006 GLN GLN A . n +A 1 126 ILE 126 1007 1007 ILE ILE A . n +A 1 127 CYS 127 1008 1008 CYS CYS A . n +A 1 128 GLU 128 1009 1009 GLU GLU A . n +A 1 129 GLY 129 1010 1010 GLY GLY A . n +A 1 130 MET 130 1011 1011 MET MET A . n +A 1 131 ALA 131 1012 1012 ALA ALA A . n +A 1 132 TYR 132 1013 1013 TYR TYR A . n +A 1 133 LEU 133 1014 1014 LEU LEU A . n +A 1 134 HIS 134 1015 1015 HIS HIS A . n +A 1 135 SER 135 1016 1016 SER SER A . n +A 1 136 GLN 136 1017 1017 GLN GLN A . n +A 1 137 HIS 137 1018 1018 HIS HIS A . n +A 1 138 TYR 138 1019 1019 TYR TYR A . n +A 1 139 ILE 139 1020 1020 ILE ILE A . n +A 1 140 HIS 140 1021 1021 HIS HIS A . n +A 1 141 ARG 141 1022 1022 ARG ARG A . n +A 1 142 ASN 142 1023 1023 ASN ASN A . n +A 1 143 LEU 143 1024 1024 LEU LEU A . n +A 1 144 ALA 144 1025 1025 ALA ALA A . n +A 1 145 ALA 145 1026 1026 ALA ALA A . n +A 1 146 ARG 146 1027 1027 ARG ARG A . n +A 1 147 ASN 147 1028 1028 ASN ASN A . n +A 1 148 VAL 148 1029 1029 VAL VAL A . n +A 1 149 LEU 149 1030 1030 LEU LEU A . n +A 1 150 LEU 150 1031 1031 LEU LEU A . n +A 1 151 ASP 151 1032 1032 ASP ASP A . n +A 1 152 ASN 152 1033 1033 ASN ASN A . n +A 1 153 ASP 153 1034 1034 ASP ASP A . n +A 1 154 ARG 154 1035 1035 ARG ARG A . n +A 1 155 LEU 155 1036 1036 LEU LEU A . n +A 1 156 VAL 156 1037 1037 VAL VAL A . n +A 1 157 LYS 157 1038 1038 LYS LYS A . n +A 1 158 ILE 158 1039 1039 ILE ILE A . n +A 1 159 GLY 159 1040 1040 GLY GLY A . n +A 1 160 ASP 160 1041 1041 ASP ASP A . n +A 1 161 PHE 161 1042 1042 PHE PHE A . n +A 1 162 GLY 162 1043 1043 GLY GLY A . n +A 1 163 LEU 163 1044 1044 LEU LEU A . n +A 1 164 ALA 164 1045 1045 ALA ALA A . n +A 1 165 LYS 165 1046 1046 LYS LYS A . n +A 1 166 ALA 166 1047 1047 ALA ALA A . n +A 1 167 VAL 167 1048 1048 VAL VAL A . n +A 1 168 PRO 168 1049 1049 PRO PRO A . n +A 1 169 GLU 169 1050 1050 GLU GLU A . n +A 1 170 GLY 170 1051 1051 GLY GLY A . n +A 1 171 HIS 171 1052 1052 HIS HIS A . n +A 1 172 GLU 172 1053 1053 GLU GLU A . n +A 1 173 TYR 173 1054 1054 TYR TYR A . n +A 1 174 TYR 174 1055 1055 TYR TYR A . n +A 1 175 ARG 175 1056 1056 ARG ARG A . n +A 1 176 VAL 176 1057 1057 VAL VAL A . n +A 1 177 ARG 177 1058 1058 ARG ARG A . n +A 1 178 GLU 178 1059 1059 GLU GLU A . n +A 1 179 ASP 179 1060 1060 ASP ASP A . n +A 1 180 GLY 180 1061 1061 GLY GLY A . n +A 1 181 ASP 181 1062 1062 ASP ASP A . n +A 1 182 SER 182 1063 1063 SER SER A . n +A 1 183 PRO 183 1064 1064 PRO PRO A . n +A 1 184 VAL 184 1065 1065 VAL VAL A . n +A 1 185 PHE 185 1066 1066 PHE PHE A . n +A 1 186 TRP 186 1067 1067 TRP TRP A . n +A 1 187 TYR 187 1068 1068 TYR TYR A . n +A 1 188 ALA 188 1069 1069 ALA ALA A . n +A 1 189 PRO 189 1070 1070 PRO PRO A . n +A 1 190 GLU 190 1071 1071 GLU GLU A . n +A 1 191 CYS 191 1072 1072 CYS CYS A . n +A 1 192 LEU 192 1073 1073 LEU LEU A . n +A 1 193 LYS 193 1074 1074 LYS LYS A . n +A 1 194 GLU 194 1075 1075 GLU GLU A . n +A 1 195 TYR 195 1076 1076 TYR TYR A . n +A 1 196 LYS 196 1077 1077 LYS LYS A . n +A 1 197 PHE 197 1078 1078 PHE PHE A . n +A 1 198 TYR 198 1079 1079 TYR TYR A . n +A 1 199 TYR 199 1080 1080 TYR TYR A . n +A 1 200 ALA 200 1081 1081 ALA ALA A . n +A 1 201 SER 201 1082 1082 SER SER A . n +A 1 202 ASP 202 1083 1083 ASP ASP A . n +A 1 203 VAL 203 1084 1084 VAL VAL A . n +A 1 204 TRP 204 1085 1085 TRP TRP A . n +A 1 205 SER 205 1086 1086 SER SER A . n +A 1 206 PHE 206 1087 1087 PHE PHE A . n +A 1 207 GLY 207 1088 1088 GLY GLY A . n +A 1 208 VAL 208 1089 1089 VAL VAL A . n +A 1 209 THR 209 1090 1090 THR THR A . n +A 1 210 LEU 210 1091 1091 LEU LEU A . n +A 1 211 TYR 211 1092 1092 TYR TYR A . n +A 1 212 GLU 212 1093 1093 GLU GLU A . n +A 1 213 LEU 213 1094 1094 LEU LEU A . n +A 1 214 LEU 214 1095 1095 LEU LEU A . n +A 1 215 THR 215 1096 1096 THR THR A . n +A 1 216 HIS 216 1097 1097 HIS HIS A . n +A 1 217 CYS 217 1098 1098 CYS CYS A . n +A 1 218 ASP 218 1099 1099 ASP ASP A . n +A 1 219 SER 219 1100 1100 SER SER A . n +A 1 220 SER 220 1101 1101 SER SER A . n +A 1 221 GLN 221 1102 1102 GLN GLN A . n +A 1 222 SER 222 1103 1103 SER SER A . n +A 1 223 PRO 223 1104 1104 PRO PRO A . n +A 1 224 PRO 224 1105 1105 PRO PRO A . n +A 1 225 THR 225 1106 1106 THR THR A . n +A 1 226 LYS 226 1107 1107 LYS LYS A . n +A 1 227 PHE 227 1108 1108 PHE PHE A . n +A 1 228 LEU 228 1109 1109 LEU LEU A . n +A 1 229 GLU 229 1110 1110 GLU GLU A . n +A 1 230 LEU 230 1111 1111 LEU LEU A . n +A 1 231 ILE 231 1112 1112 ILE ILE A . n +A 1 232 GLY 232 1113 1113 GLY GLY A . n +A 1 233 ILE 233 1114 1114 ILE ILE A . n +A 1 234 ALA 234 1115 1115 ALA ALA A . n +A 1 235 GLN 235 1116 1116 GLN GLN A . n +A 1 236 GLY 236 1117 1117 GLY GLY A . n +A 1 237 GLN 237 1118 1118 GLN GLN A . n +A 1 238 MET 238 1119 1119 MET MET A . n +A 1 239 THR 239 1120 1120 THR THR A . n +A 1 240 VAL 240 1121 1121 VAL VAL A . n +A 1 241 LEU 241 1122 1122 LEU LEU A . n +A 1 242 ARG 242 1123 1123 ARG ARG A . n +A 1 243 LEU 243 1124 1124 LEU LEU A . n +A 1 244 THR 244 1125 1125 THR THR A . n +A 1 245 GLU 245 1126 1126 GLU GLU A . n +A 1 246 LEU 246 1127 1127 LEU LEU A . n +A 1 247 LEU 247 1128 1128 LEU LEU A . n +A 1 248 GLU 248 1129 1129 GLU GLU A . n +A 1 249 ARG 249 1130 1130 ARG ARG A . n +A 1 250 GLY 250 1131 1131 GLY GLY A . n +A 1 251 GLU 251 1132 1132 GLU GLU A . n +A 1 252 ARG 252 1133 1133 ARG ARG A . n +A 1 253 LEU 253 1134 1134 LEU LEU A . n +A 1 254 PRO 254 1135 1135 PRO PRO A . n +A 1 255 ARG 255 1136 1136 ARG ARG A . n +A 1 256 PRO 256 1137 1137 PRO PRO A . n +A 1 257 ASP 257 1138 1138 ASP ASP A . n +A 1 258 LYS 258 1139 1139 LYS LYS A . n +A 1 259 CYS 259 1140 1140 CYS CYS A . n +A 1 260 PRO 260 1141 1141 PRO PRO A . n +A 1 261 CYS 261 1142 1142 CYS CYS A . n +A 1 262 GLU 262 1143 1143 GLU GLU A . n +A 1 263 VAL 263 1144 1144 VAL VAL A . n +A 1 264 TYR 264 1145 1145 TYR TYR A . n +A 1 265 HIS 265 1146 1146 HIS HIS A . n +A 1 266 LEU 266 1147 1147 LEU LEU A . n +A 1 267 MET 267 1148 1148 MET MET A . n +A 1 268 LYS 268 1149 1149 LYS LYS A . n +A 1 269 ASN 269 1150 1150 ASN ASN A . n +A 1 270 CYS 270 1151 1151 CYS CYS A . n +A 1 271 TRP 271 1152 1152 TRP TRP A . n +A 1 272 GLU 272 1153 1153 GLU GLU A . n +A 1 273 THR 273 1154 1154 THR THR A . n +A 1 274 GLU 274 1155 1155 GLU GLU A . n +A 1 275 ALA 275 1156 1156 ALA ALA A . n +A 1 276 SER 276 1157 1157 SER SER A . n +A 1 277 PHE 277 1158 1158 PHE PHE A . n +A 1 278 ARG 278 1159 1159 ARG ARG A . n +A 1 279 PRO 279 1160 1160 PRO PRO A . n +A 1 280 THR 280 1161 1161 THR THR A . n +A 1 281 PHE 281 1162 1162 PHE PHE A . n +A 1 282 GLU 282 1163 1163 GLU GLU A . n +A 1 283 ASN 283 1164 1164 ASN ASN A . n +A 1 284 LEU 284 1165 1165 LEU LEU A . n +A 1 285 ILE 285 1166 1166 ILE ILE A . n +A 1 286 PRO 286 1167 1167 PRO PRO A . n +A 1 287 ILE 287 1168 1168 ILE ILE A . n +A 1 288 LEU 288 1169 1169 LEU LEU A . n +A 1 289 LYS 289 1170 1170 LYS LYS A . n +A 1 290 THR 290 1171 1171 THR THR A . n +A 1 291 VAL 291 1172 1172 VAL VAL A . n +A 1 292 HIS 292 1173 1173 HIS HIS A . n +A 1 293 GLU 293 1174 1174 GLU GLU A . n +A 1 294 LYS 294 1175 1175 LYS LYS A . n +A 1 295 TYR 295 1176 1176 TYR TYR A . n +A 1 296 ARG 296 1177 1177 ARG ARG A . n +A 1 297 HIS 297 1178 1178 HIS HIS A . n +A 1 298 HIS 298 1179 ? ? ? A . n +A 1 299 HIS 299 1180 ? ? ? A . n +A 1 300 HIS 300 1181 ? ? ? A . n +A 1 301 HIS 301 1182 ? ? ? A . n +A 1 302 HIS 302 1183 ? ? ? A . n +# +loop_ +_pdbx_nonpoly_scheme.asym_id +_pdbx_nonpoly_scheme.entity_id +_pdbx_nonpoly_scheme.mon_id +_pdbx_nonpoly_scheme.ndb_seq_num +_pdbx_nonpoly_scheme.pdb_seq_num +_pdbx_nonpoly_scheme.auth_seq_num +_pdbx_nonpoly_scheme.pdb_mon_id +_pdbx_nonpoly_scheme.auth_mon_id +_pdbx_nonpoly_scheme.pdb_strand_id +_pdbx_nonpoly_scheme.pdb_ins_code +B 2 SO4 1 1201 5 SO4 SO4 A . +C 2 SO4 1 1202 6 SO4 SO4 A . +D 3 EDO 1 1203 96 EDO EDO A . +E 3 EDO 1 1204 97 EDO EDO A . +F 4 GOL 1 1205 101 GOL GOL A . +G 5 0X2 1 1206 1 0X2 0X2 A . +H 6 HOH 1 1301 8 HOH HOH A . +H 6 HOH 2 1302 9 HOH HOH A . +H 6 HOH 3 1303 10 HOH HOH A . +H 6 HOH 4 1304 11 HOH HOH A . +H 6 HOH 5 1305 13 HOH HOH A . +H 6 HOH 6 1306 14 HOH HOH A . +H 6 HOH 7 1307 15 HOH HOH A . +H 6 HOH 8 1308 16 HOH HOH A . +H 6 HOH 9 1309 17 HOH HOH A . +H 6 HOH 10 1310 18 HOH HOH A . +H 6 HOH 11 1311 19 HOH HOH A . +H 6 HOH 12 1312 20 HOH HOH A . +H 6 HOH 13 1313 22 HOH HOH A . +H 6 HOH 14 1314 23 HOH HOH A . +H 6 HOH 15 1315 25 HOH HOH A . +H 6 HOH 16 1316 26 HOH HOH A . +H 6 HOH 17 1317 27 HOH HOH A . +H 6 HOH 18 1318 28 HOH HOH A . +H 6 HOH 19 1319 29 HOH HOH A . +H 6 HOH 20 1320 30 HOH HOH A . +H 6 HOH 21 1321 31 HOH HOH A . +H 6 HOH 22 1322 32 HOH HOH A . +H 6 HOH 23 1323 33 HOH HOH A . +H 6 HOH 24 1324 34 HOH HOH A . +H 6 HOH 25 1325 35 HOH HOH A . +H 6 HOH 26 1326 36 HOH HOH A . +H 6 HOH 27 1327 37 HOH HOH A . +H 6 HOH 28 1328 38 HOH HOH A . +H 6 HOH 29 1329 39 HOH HOH A . +H 6 HOH 30 1330 40 HOH HOH A . +H 6 HOH 31 1331 41 HOH HOH A . +H 6 HOH 32 1332 43 HOH HOH A . +H 6 HOH 33 1333 44 HOH HOH A . +H 6 HOH 34 1334 45 HOH HOH A . +H 6 HOH 35 1335 46 HOH HOH A . +H 6 HOH 36 1336 47 HOH HOH A . +H 6 HOH 37 1337 48 HOH HOH A . +H 6 HOH 38 1338 49 HOH HOH A . +H 6 HOH 39 1339 50 HOH HOH A . +H 6 HOH 40 1340 51 HOH HOH A . +H 6 HOH 41 1341 52 HOH HOH A . +H 6 HOH 42 1342 53 HOH HOH A . +H 6 HOH 43 1343 54 HOH HOH A . +H 6 HOH 44 1344 55 HOH HOH A . +H 6 HOH 45 1345 56 HOH HOH A . +H 6 HOH 46 1346 58 HOH HOH A . +H 6 HOH 47 1347 59 HOH HOH A . +H 6 HOH 48 1348 61 HOH HOH A . +H 6 HOH 49 1349 62 HOH HOH A . +H 6 HOH 50 1350 63 HOH HOH A . +H 6 HOH 51 1351 64 HOH HOH A . +H 6 HOH 52 1352 65 HOH HOH A . +H 6 HOH 53 1353 66 HOH HOH A . +H 6 HOH 54 1354 67 HOH HOH A . +H 6 HOH 55 1355 69 HOH HOH A . +H 6 HOH 56 1356 71 HOH HOH A . +H 6 HOH 57 1357 72 HOH HOH A . +H 6 HOH 58 1358 73 HOH HOH A . +H 6 HOH 59 1359 74 HOH HOH A . +H 6 HOH 60 1360 75 HOH HOH A . +H 6 HOH 61 1361 76 HOH HOH A . +H 6 HOH 62 1362 78 HOH HOH A . +H 6 HOH 63 1363 79 HOH HOH A . +H 6 HOH 64 1364 80 HOH HOH A . +H 6 HOH 65 1365 81 HOH HOH A . +H 6 HOH 66 1366 82 HOH HOH A . +H 6 HOH 67 1367 83 HOH HOH A . +H 6 HOH 68 1368 84 HOH HOH A . +H 6 HOH 69 1369 85 HOH HOH A . +H 6 HOH 70 1370 86 HOH HOH A . +H 6 HOH 71 1371 87 HOH HOH A . +H 6 HOH 72 1372 88 HOH HOH A . +H 6 HOH 73 1373 90 HOH HOH A . +H 6 HOH 74 1374 91 HOH HOH A . +H 6 HOH 75 1375 92 HOH HOH A . +H 6 HOH 76 1376 93 HOH HOH A . +H 6 HOH 77 1377 94 HOH HOH A . +H 6 HOH 78 1378 95 HOH HOH A . +# +_pdbx_struct_assembly.id 1 +_pdbx_struct_assembly.details author_and_software_defined_assembly +_pdbx_struct_assembly.method_details PISA +_pdbx_struct_assembly.oligomeric_details monomeric +_pdbx_struct_assembly.oligomeric_count 1 +# +_pdbx_struct_assembly_gen.assembly_id 1 +_pdbx_struct_assembly_gen.oper_expression 1 +_pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H +# +_pdbx_struct_oper_list.id 1 +_pdbx_struct_oper_list.type 'identity operation' +_pdbx_struct_oper_list.name 1_555 +_pdbx_struct_oper_list.symmetry_operation x,y,z +_pdbx_struct_oper_list.matrix[1][1] 1.0000000000 +_pdbx_struct_oper_list.matrix[1][2] 0.0000000000 +_pdbx_struct_oper_list.matrix[1][3] 0.0000000000 +_pdbx_struct_oper_list.vector[1] 0.0000000000 +_pdbx_struct_oper_list.matrix[2][1] 0.0000000000 +_pdbx_struct_oper_list.matrix[2][2] 1.0000000000 +_pdbx_struct_oper_list.matrix[2][3] 0.0000000000 +_pdbx_struct_oper_list.vector[2] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][1] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][2] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][3] 1.0000000000 +_pdbx_struct_oper_list.vector[3] 0.0000000000 +# +loop_ +_pdbx_audit_revision_history.ordinal +_pdbx_audit_revision_history.data_content_type +_pdbx_audit_revision_history.major_revision +_pdbx_audit_revision_history.minor_revision +_pdbx_audit_revision_history.revision_date +1 'Structure model' 1 0 2013-06-19 +2 'Structure model' 1 1 2013-08-07 +3 'Structure model' 1 2 2023-09-13 +# +_pdbx_audit_revision_details.ordinal 1 +_pdbx_audit_revision_details.revision_ordinal 1 +_pdbx_audit_revision_details.data_content_type 'Structure model' +_pdbx_audit_revision_details.provider repository +_pdbx_audit_revision_details.type 'Initial release' +_pdbx_audit_revision_details.description ? +_pdbx_audit_revision_details.details ? +# +loop_ +_pdbx_audit_revision_group.ordinal +_pdbx_audit_revision_group.revision_ordinal +_pdbx_audit_revision_group.data_content_type +_pdbx_audit_revision_group.group +1 2 'Structure model' 'Database references' +2 3 'Structure model' 'Data collection' +3 3 'Structure model' 'Database references' +4 3 'Structure model' 'Derived calculations' +5 3 'Structure model' 'Refinement description' +# +loop_ +_pdbx_audit_revision_category.ordinal +_pdbx_audit_revision_category.revision_ordinal +_pdbx_audit_revision_category.data_content_type +_pdbx_audit_revision_category.category +1 3 'Structure model' chem_comp_atom +2 3 'Structure model' chem_comp_bond +3 3 'Structure model' database_2 +4 3 'Structure model' pdbx_initial_refinement_model +5 3 'Structure model' struct_ref_seq_dif +6 3 'Structure model' struct_site +# +loop_ +_pdbx_audit_revision_item.ordinal +_pdbx_audit_revision_item.revision_ordinal +_pdbx_audit_revision_item.data_content_type +_pdbx_audit_revision_item.item +1 3 'Structure model' '_database_2.pdbx_DOI' +2 3 'Structure model' '_database_2.pdbx_database_accession' +3 3 'Structure model' '_struct_ref_seq_dif.details' +4 3 'Structure model' '_struct_site.pdbx_auth_asym_id' +5 3 'Structure model' '_struct_site.pdbx_auth_comp_id' +6 3 'Structure model' '_struct_site.pdbx_auth_seq_id' +# +loop_ +_pdbx_refine_tls.pdbx_refine_id +_pdbx_refine_tls.id +_pdbx_refine_tls.details +_pdbx_refine_tls.method +_pdbx_refine_tls.origin_x +_pdbx_refine_tls.origin_y +_pdbx_refine_tls.origin_z +_pdbx_refine_tls.T[1][1] +_pdbx_refine_tls.T[2][2] +_pdbx_refine_tls.T[3][3] +_pdbx_refine_tls.T[1][2] +_pdbx_refine_tls.T[1][3] +_pdbx_refine_tls.T[2][3] +_pdbx_refine_tls.L[1][1] +_pdbx_refine_tls.L[2][2] +_pdbx_refine_tls.L[3][3] +_pdbx_refine_tls.L[1][2] +_pdbx_refine_tls.L[1][3] +_pdbx_refine_tls.L[2][3] +_pdbx_refine_tls.S[1][1] +_pdbx_refine_tls.S[1][2] +_pdbx_refine_tls.S[1][3] +_pdbx_refine_tls.S[2][1] +_pdbx_refine_tls.S[2][2] +_pdbx_refine_tls.S[2][3] +_pdbx_refine_tls.S[3][1] +_pdbx_refine_tls.S[3][2] +_pdbx_refine_tls.S[3][3] +'X-RAY DIFFRACTION' 1 ? refined 9.3855 -19.6200 30.8899 0.1071 0.4138 -0.1478 0.0383 0.0980 -0.0323 5.3208 0.9970 2.4651 +-2.0763 0.1207 1.0262 -0.2431 -0.0930 -0.1666 0.2681 0.1124 0.1092 0.0336 -0.6090 0.1307 +'X-RAY DIFFRACTION' 2 ? refined 25.0262 -16.2601 11.1270 -0.1019 0.1577 -0.0806 0.0791 -0.0243 -0.0775 1.7730 0.4171 3.4817 +-0.3686 1.3373 -0.1519 -0.3188 -0.3110 0.1069 0.0394 0.1381 -0.0577 -0.3357 -0.3795 0.1807 +# +loop_ +_pdbx_refine_tls_group.pdbx_refine_id +_pdbx_refine_tls_group.id +_pdbx_refine_tls_group.refine_tls_id +_pdbx_refine_tls_group.beg_auth_asym_id +_pdbx_refine_tls_group.beg_auth_seq_id +_pdbx_refine_tls_group.beg_label_asym_id +_pdbx_refine_tls_group.beg_label_seq_id +_pdbx_refine_tls_group.end_auth_asym_id +_pdbx_refine_tls_group.end_auth_seq_id +_pdbx_refine_tls_group.end_label_asym_id +_pdbx_refine_tls_group.end_label_seq_id +_pdbx_refine_tls_group.selection +_pdbx_refine_tls_group.selection_details +'X-RAY DIFFRACTION' 1 1 A 890 ? ? A 979 ? ? ? '{ A|890 - A|979 }' +'X-RAY DIFFRACTION' 2 2 A 980 ? ? A 1178 ? ? ? '{ A|980 - A|1178 A|1206 - A|1206 }' +'X-RAY DIFFRACTION' 3 2 A 1206 ? ? A 1206 ? ? ? '{ A|980 - A|1178 A|1206 - A|1206 }' +# +loop_ +_software.name +_software.classification +_software.version +_software.citation_id +_software.pdbx_ordinal +Blu-Ice 'data collection' . ? 1 +PHASER phasing . ? 2 +BUSTER refinement 2.11.2 ? 3 +HKL-2000 'data reduction' . ? 4 +HKL-2000 'data scaling' . ? 5 +# +loop_ +_pdbx_validate_torsion.id +_pdbx_validate_torsion.PDB_model_num +_pdbx_validate_torsion.auth_comp_id +_pdbx_validate_torsion.auth_asym_id +_pdbx_validate_torsion.auth_seq_id +_pdbx_validate_torsion.PDB_ins_code +_pdbx_validate_torsion.label_alt_id +_pdbx_validate_torsion.phi +_pdbx_validate_torsion.psi +1 1 HIS A 907 ? ? -113.97 54.77 +2 1 PHE A 908 ? ? 67.55 -8.27 +3 1 ASN A 1023 ? ? -149.84 36.41 +4 1 ASP A 1041 ? ? 41.83 76.86 +5 1 GLU A 1059 ? ? 77.50 148.29 +6 1 ASP A 1062 ? ? -104.28 60.25 +7 1 GLN A 1116 ? ? -47.59 -11.36 +# +loop_ +_pdbx_unobs_or_zero_occ_residues.id +_pdbx_unobs_or_zero_occ_residues.PDB_model_num +_pdbx_unobs_or_zero_occ_residues.polymer_flag +_pdbx_unobs_or_zero_occ_residues.occupancy_flag +_pdbx_unobs_or_zero_occ_residues.auth_asym_id +_pdbx_unobs_or_zero_occ_residues.auth_comp_id +_pdbx_unobs_or_zero_occ_residues.auth_seq_id +_pdbx_unobs_or_zero_occ_residues.PDB_ins_code +_pdbx_unobs_or_zero_occ_residues.label_asym_id +_pdbx_unobs_or_zero_occ_residues.label_comp_id +_pdbx_unobs_or_zero_occ_residues.label_seq_id +1 1 Y 1 A MET 882 ? A MET 1 +2 1 Y 1 A GLY 883 ? A GLY 2 +3 1 Y 1 A SER 884 ? A SER 3 +4 1 Y 1 A PRO 885 ? A PRO 4 +5 1 Y 1 A ALA 886 ? A ALA 5 +6 1 Y 1 A SER 887 ? A SER 6 +7 1 Y 1 A ASP 888 ? A ASP 7 +8 1 Y 1 A PRO 889 ? A PRO 8 +9 1 Y 1 A LYS 933 ? A LYS 52 +10 1 Y 1 A ALA 934 ? A ALA 53 +11 1 Y 1 A ASP 935 ? A ASP 54 +12 1 Y 1 A CYS 936 ? A CYS 55 +13 1 Y 1 A GLY 937 ? A GLY 56 +14 1 Y 1 A PRO 938 ? A PRO 57 +15 1 Y 1 A GLN 939 ? A GLN 58 +16 1 Y 1 A HIS 940 ? A HIS 59 +17 1 Y 1 A ARG 941 ? A ARG 60 +18 1 Y 1 A SER 942 ? A SER 61 +19 1 Y 1 A GLY 943 ? A GLY 62 +20 1 Y 1 A ASP 968 ? A ASP 87 +21 1 Y 1 A GLN 969 ? A GLN 88 +22 1 Y 1 A GLY 970 ? A GLY 89 +23 1 Y 1 A GLU 971 ? A GLU 90 +24 1 Y 1 A LYS 972 ? A LYS 91 +25 1 Y 1 A SER 973 ? A SER 92 +26 1 Y 1 A HIS 1179 ? A HIS 298 +27 1 Y 1 A HIS 1180 ? A HIS 299 +28 1 Y 1 A HIS 1181 ? A HIS 300 +29 1 Y 1 A HIS 1182 ? A HIS 301 +30 1 Y 1 A HIS 1183 ? A HIS 302 +# +loop_ +_chem_comp_atom.comp_id +_chem_comp_atom.atom_id +_chem_comp_atom.type_symbol +_chem_comp_atom.pdbx_aromatic_flag +_chem_comp_atom.pdbx_stereo_config +_chem_comp_atom.pdbx_ordinal +0X2 C4 C Y N 1 +0X2 C5 C Y N 2 +0X2 C6 C Y N 3 +0X2 C11 C N N 4 +0X2 C7 C N N 5 +0X2 C8 C N N 6 +0X2 C9 C N N 7 +0X2 C10 C N N 8 +0X2 C12 C N N 9 +0X2 N1 N N N 10 +0X2 N2 N N N 11 +0X2 C3 C Y N 12 +0X2 O2 O N N 13 +0X2 O1 O N N 14 +0X2 CL2 CL N N 15 +0X2 C2 C Y N 16 +0X2 CL1 CL N N 17 +0X2 C1 C Y N 18 +0X2 H1 H N N 19 +0X2 H2 H N N 20 +0X2 H3 H N N 21 +0X2 H4 H N N 22 +0X2 H5 H N N 23 +0X2 H6 H N N 24 +0X2 H7 H N N 25 +0X2 H8 H N N 26 +ALA N N N N 27 +ALA CA C N S 28 +ALA C C N N 29 +ALA O O N N 30 +ALA CB C N N 31 +ALA OXT O N N 32 +ALA H H N N 33 +ALA H2 H N N 34 +ALA HA H N N 35 +ALA HB1 H N N 36 +ALA HB2 H N N 37 +ALA HB3 H N N 38 +ALA HXT H N N 39 +ARG N N N N 40 +ARG CA C N S 41 +ARG C C N N 42 +ARG O O N N 43 +ARG CB C N N 44 +ARG CG C N N 45 +ARG CD C N N 46 +ARG NE N N N 47 +ARG CZ C N N 48 +ARG NH1 N N N 49 +ARG NH2 N N N 50 +ARG OXT O N N 51 +ARG H H N N 52 +ARG H2 H N N 53 +ARG HA H N N 54 +ARG HB2 H N N 55 +ARG HB3 H N N 56 +ARG HG2 H N N 57 +ARG HG3 H N N 58 +ARG HD2 H N N 59 +ARG HD3 H N N 60 +ARG HE H N N 61 +ARG HH11 H N N 62 +ARG HH12 H N N 63 +ARG HH21 H N N 64 +ARG HH22 H N N 65 +ARG HXT H N N 66 +ASN N N N N 67 +ASN CA C N S 68 +ASN C C N N 69 +ASN O O N N 70 +ASN CB C N N 71 +ASN CG C N N 72 +ASN OD1 O N N 73 +ASN ND2 N N N 74 +ASN OXT O N N 75 +ASN H H N N 76 +ASN H2 H N N 77 +ASN HA H N N 78 +ASN HB2 H N N 79 +ASN HB3 H N N 80 +ASN HD21 H N N 81 +ASN HD22 H N N 82 +ASN HXT H N N 83 +ASP N N N N 84 +ASP CA C N S 85 +ASP C C N N 86 +ASP O O N N 87 +ASP CB C N N 88 +ASP CG C N N 89 +ASP OD1 O N N 90 +ASP OD2 O N N 91 +ASP OXT O N N 92 +ASP H H N N 93 +ASP H2 H N N 94 +ASP HA H N N 95 +ASP HB2 H N N 96 +ASP HB3 H N N 97 +ASP HD2 H N N 98 +ASP HXT H N N 99 +CYS N N N N 100 +CYS CA C N R 101 +CYS C C N N 102 +CYS O O N N 103 +CYS CB C N N 104 +CYS SG S N N 105 +CYS OXT O N N 106 +CYS H H N N 107 +CYS H2 H N N 108 +CYS HA H N N 109 +CYS HB2 H N N 110 +CYS HB3 H N N 111 +CYS HG H N N 112 +CYS HXT H N N 113 +EDO C1 C N N 114 +EDO O1 O N N 115 +EDO C2 C N N 116 +EDO O2 O N N 117 +EDO H11 H N N 118 +EDO H12 H N N 119 +EDO HO1 H N N 120 +EDO H21 H N N 121 +EDO H22 H N N 122 +EDO HO2 H N N 123 +GLN N N N N 124 +GLN CA C N S 125 +GLN C C N N 126 +GLN O O N N 127 +GLN CB C N N 128 +GLN CG C N N 129 +GLN CD C N N 130 +GLN OE1 O N N 131 +GLN NE2 N N N 132 +GLN OXT O N N 133 +GLN H H N N 134 +GLN H2 H N N 135 +GLN HA H N N 136 +GLN HB2 H N N 137 +GLN HB3 H N N 138 +GLN HG2 H N N 139 +GLN HG3 H N N 140 +GLN HE21 H N N 141 +GLN HE22 H N N 142 +GLN HXT H N N 143 +GLU N N N N 144 +GLU CA C N S 145 +GLU C C N N 146 +GLU O O N N 147 +GLU CB C N N 148 +GLU CG C N N 149 +GLU CD C N N 150 +GLU OE1 O N N 151 +GLU OE2 O N N 152 +GLU OXT O N N 153 +GLU H H N N 154 +GLU H2 H N N 155 +GLU HA H N N 156 +GLU HB2 H N N 157 +GLU HB3 H N N 158 +GLU HG2 H N N 159 +GLU HG3 H N N 160 +GLU HE2 H N N 161 +GLU HXT H N N 162 +GLY N N N N 163 +GLY CA C N N 164 +GLY C C N N 165 +GLY O O N N 166 +GLY OXT O N N 167 +GLY H H N N 168 +GLY H2 H N N 169 +GLY HA2 H N N 170 +GLY HA3 H N N 171 +GLY HXT H N N 172 +GOL C1 C N N 173 +GOL O1 O N N 174 +GOL C2 C N N 175 +GOL O2 O N N 176 +GOL C3 C N N 177 +GOL O3 O N N 178 +GOL H11 H N N 179 +GOL H12 H N N 180 +GOL HO1 H N N 181 +GOL H2 H N N 182 +GOL HO2 H N N 183 +GOL H31 H N N 184 +GOL H32 H N N 185 +GOL HO3 H N N 186 +HIS N N N N 187 +HIS CA C N S 188 +HIS C C N N 189 +HIS O O N N 190 +HIS CB C N N 191 +HIS CG C Y N 192 +HIS ND1 N Y N 193 +HIS CD2 C Y N 194 +HIS CE1 C Y N 195 +HIS NE2 N Y N 196 +HIS OXT O N N 197 +HIS H H N N 198 +HIS H2 H N N 199 +HIS HA H N N 200 +HIS HB2 H N N 201 +HIS HB3 H N N 202 +HIS HD1 H N N 203 +HIS HD2 H N N 204 +HIS HE1 H N N 205 +HIS HE2 H N N 206 +HIS HXT H N N 207 +HOH O O N N 208 +HOH H1 H N N 209 +HOH H2 H N N 210 +ILE N N N N 211 +ILE CA C N S 212 +ILE C C N N 213 +ILE O O N N 214 +ILE CB C N S 215 +ILE CG1 C N N 216 +ILE CG2 C N N 217 +ILE CD1 C N N 218 +ILE OXT O N N 219 +ILE H H N N 220 +ILE H2 H N N 221 +ILE HA H N N 222 +ILE HB H N N 223 +ILE HG12 H N N 224 +ILE HG13 H N N 225 +ILE HG21 H N N 226 +ILE HG22 H N N 227 +ILE HG23 H N N 228 +ILE HD11 H N N 229 +ILE HD12 H N N 230 +ILE HD13 H N N 231 +ILE HXT H N N 232 +LEU N N N N 233 +LEU CA C N S 234 +LEU C C N N 235 +LEU O O N N 236 +LEU CB C N N 237 +LEU CG C N N 238 +LEU CD1 C N N 239 +LEU CD2 C N N 240 +LEU OXT O N N 241 +LEU H H N N 242 +LEU H2 H N N 243 +LEU HA H N N 244 +LEU HB2 H N N 245 +LEU HB3 H N N 246 +LEU HG H N N 247 +LEU HD11 H N N 248 +LEU HD12 H N N 249 +LEU HD13 H N N 250 +LEU HD21 H N N 251 +LEU HD22 H N N 252 +LEU HD23 H N N 253 +LEU HXT H N N 254 +LYS N N N N 255 +LYS CA C N S 256 +LYS C C N N 257 +LYS O O N N 258 +LYS CB C N N 259 +LYS CG C N N 260 +LYS CD C N N 261 +LYS CE C N N 262 +LYS NZ N N N 263 +LYS OXT O N N 264 +LYS H H N N 265 +LYS H2 H N N 266 +LYS HA H N N 267 +LYS HB2 H N N 268 +LYS HB3 H N N 269 +LYS HG2 H N N 270 +LYS HG3 H N N 271 +LYS HD2 H N N 272 +LYS HD3 H N N 273 +LYS HE2 H N N 274 +LYS HE3 H N N 275 +LYS HZ1 H N N 276 +LYS HZ2 H N N 277 +LYS HZ3 H N N 278 +LYS HXT H N N 279 +MET N N N N 280 +MET CA C N S 281 +MET C C N N 282 +MET O O N N 283 +MET CB C N N 284 +MET CG C N N 285 +MET SD S N N 286 +MET CE C N N 287 +MET OXT O N N 288 +MET H H N N 289 +MET H2 H N N 290 +MET HA H N N 291 +MET HB2 H N N 292 +MET HB3 H N N 293 +MET HG2 H N N 294 +MET HG3 H N N 295 +MET HE1 H N N 296 +MET HE2 H N N 297 +MET HE3 H N N 298 +MET HXT H N N 299 +PHE N N N N 300 +PHE CA C N S 301 +PHE C C N N 302 +PHE O O N N 303 +PHE CB C N N 304 +PHE CG C Y N 305 +PHE CD1 C Y N 306 +PHE CD2 C Y N 307 +PHE CE1 C Y N 308 +PHE CE2 C Y N 309 +PHE CZ C Y N 310 +PHE OXT O N N 311 +PHE H H N N 312 +PHE H2 H N N 313 +PHE HA H N N 314 +PHE HB2 H N N 315 +PHE HB3 H N N 316 +PHE HD1 H N N 317 +PHE HD2 H N N 318 +PHE HE1 H N N 319 +PHE HE2 H N N 320 +PHE HZ H N N 321 +PHE HXT H N N 322 +PRO N N N N 323 +PRO CA C N S 324 +PRO C C N N 325 +PRO O O N N 326 +PRO CB C N N 327 +PRO CG C N N 328 +PRO CD C N N 329 +PRO OXT O N N 330 +PRO H H N N 331 +PRO HA H N N 332 +PRO HB2 H N N 333 +PRO HB3 H N N 334 +PRO HG2 H N N 335 +PRO HG3 H N N 336 +PRO HD2 H N N 337 +PRO HD3 H N N 338 +PRO HXT H N N 339 +SER N N N N 340 +SER CA C N S 341 +SER C C N N 342 +SER O O N N 343 +SER CB C N N 344 +SER OG O N N 345 +SER OXT O N N 346 +SER H H N N 347 +SER H2 H N N 348 +SER HA H N N 349 +SER HB2 H N N 350 +SER HB3 H N N 351 +SER HG H N N 352 +SER HXT H N N 353 +SO4 S S N N 354 +SO4 O1 O N N 355 +SO4 O2 O N N 356 +SO4 O3 O N N 357 +SO4 O4 O N N 358 +THR N N N N 359 +THR CA C N S 360 +THR C C N N 361 +THR O O N N 362 +THR CB C N R 363 +THR OG1 O N N 364 +THR CG2 C N N 365 +THR OXT O N N 366 +THR H H N N 367 +THR H2 H N N 368 +THR HA H N N 369 +THR HB H N N 370 +THR HG1 H N N 371 +THR HG21 H N N 372 +THR HG22 H N N 373 +THR HG23 H N N 374 +THR HXT H N N 375 +TRP N N N N 376 +TRP CA C N S 377 +TRP C C N N 378 +TRP O O N N 379 +TRP CB C N N 380 +TRP CG C Y N 381 +TRP CD1 C Y N 382 +TRP CD2 C Y N 383 +TRP NE1 N Y N 384 +TRP CE2 C Y N 385 +TRP CE3 C Y N 386 +TRP CZ2 C Y N 387 +TRP CZ3 C Y N 388 +TRP CH2 C Y N 389 +TRP OXT O N N 390 +TRP H H N N 391 +TRP H2 H N N 392 +TRP HA H N N 393 +TRP HB2 H N N 394 +TRP HB3 H N N 395 +TRP HD1 H N N 396 +TRP HE1 H N N 397 +TRP HE3 H N N 398 +TRP HZ2 H N N 399 +TRP HZ3 H N N 400 +TRP HH2 H N N 401 +TRP HXT H N N 402 +TYR N N N N 403 +TYR CA C N S 404 +TYR C C N N 405 +TYR O O N N 406 +TYR CB C N N 407 +TYR CG C Y N 408 +TYR CD1 C Y N 409 +TYR CD2 C Y N 410 +TYR CE1 C Y N 411 +TYR CE2 C Y N 412 +TYR CZ C Y N 413 +TYR OH O N N 414 +TYR OXT O N N 415 +TYR H H N N 416 +TYR H2 H N N 417 +TYR HA H N N 418 +TYR HB2 H N N 419 +TYR HB3 H N N 420 +TYR HD1 H N N 421 +TYR HD2 H N N 422 +TYR HE1 H N N 423 +TYR HE2 H N N 424 +TYR HH H N N 425 +TYR HXT H N N 426 +VAL N N N N 427 +VAL CA C N S 428 +VAL C C N N 429 +VAL O O N N 430 +VAL CB C N N 431 +VAL CG1 C N N 432 +VAL CG2 C N N 433 +VAL OXT O N N 434 +VAL H H N N 435 +VAL H2 H N N 436 +VAL HA H N N 437 +VAL HB H N N 438 +VAL HG11 H N N 439 +VAL HG12 H N N 440 +VAL HG13 H N N 441 +VAL HG21 H N N 442 +VAL HG22 H N N 443 +VAL HG23 H N N 444 +VAL HXT H N N 445 +# +loop_ +_chem_comp_bond.comp_id +_chem_comp_bond.atom_id_1 +_chem_comp_bond.atom_id_2 +_chem_comp_bond.value_order +_chem_comp_bond.pdbx_aromatic_flag +_chem_comp_bond.pdbx_stereo_config +_chem_comp_bond.pdbx_ordinal +0X2 C10 N2 doub N N 1 +0X2 C10 C9 sing N N 2 +0X2 CL1 C5 sing N N 3 +0X2 N2 C11 sing N N 4 +0X2 C9 C8 sing N N 5 +0X2 C11 O2 doub N N 6 +0X2 C11 C12 sing N N 7 +0X2 C8 C12 doub N N 8 +0X2 C8 N1 sing N N 9 +0X2 C5 C6 doub Y N 10 +0X2 C5 C4 sing Y N 11 +0X2 N1 C7 sing N N 12 +0X2 C6 C1 sing Y N 13 +0X2 C7 O1 doub N N 14 +0X2 C7 C4 sing N N 15 +0X2 C4 C3 doub Y N 16 +0X2 C1 C2 doub Y N 17 +0X2 C3 C2 sing Y N 18 +0X2 C3 CL2 sing N N 19 +0X2 C6 H1 sing N N 20 +0X2 C9 H2 sing N N 21 +0X2 C9 H3 sing N N 22 +0X2 C10 H4 sing N N 23 +0X2 C12 H5 sing N N 24 +0X2 N1 H6 sing N N 25 +0X2 C2 H7 sing N N 26 +0X2 C1 H8 sing N N 27 +ALA N CA sing N N 28 +ALA N H sing N N 29 +ALA N H2 sing N N 30 +ALA CA C sing N N 31 +ALA CA CB sing N N 32 +ALA CA HA sing N N 33 +ALA C O doub N N 34 +ALA C OXT sing N N 35 +ALA CB HB1 sing N N 36 +ALA CB HB2 sing N N 37 +ALA CB HB3 sing N N 38 +ALA OXT HXT sing N N 39 +ARG N CA sing N N 40 +ARG N H sing N N 41 +ARG N H2 sing N N 42 +ARG CA C sing N N 43 +ARG CA CB sing N N 44 +ARG CA HA sing N N 45 +ARG C O doub N N 46 +ARG C OXT sing N N 47 +ARG CB CG sing N N 48 +ARG CB HB2 sing N N 49 +ARG CB HB3 sing N N 50 +ARG CG CD sing N N 51 +ARG CG HG2 sing N N 52 +ARG CG HG3 sing N N 53 +ARG CD NE sing N N 54 +ARG CD HD2 sing N N 55 +ARG CD HD3 sing N N 56 +ARG NE CZ sing N N 57 +ARG NE HE sing N N 58 +ARG CZ NH1 sing N N 59 +ARG CZ NH2 doub N N 60 +ARG NH1 HH11 sing N N 61 +ARG NH1 HH12 sing N N 62 +ARG NH2 HH21 sing N N 63 +ARG NH2 HH22 sing N N 64 +ARG OXT HXT sing N N 65 +ASN N CA sing N N 66 +ASN N H sing N N 67 +ASN N H2 sing N N 68 +ASN CA C sing N N 69 +ASN CA CB sing N N 70 +ASN CA HA sing N N 71 +ASN C O doub N N 72 +ASN C OXT sing N N 73 +ASN CB CG sing N N 74 +ASN CB HB2 sing N N 75 +ASN CB HB3 sing N N 76 +ASN CG OD1 doub N N 77 +ASN CG ND2 sing N N 78 +ASN ND2 HD21 sing N N 79 +ASN ND2 HD22 sing N N 80 +ASN OXT HXT sing N N 81 +ASP N CA sing N N 82 +ASP N H sing N N 83 +ASP N H2 sing N N 84 +ASP CA C sing N N 85 +ASP CA CB sing N N 86 +ASP CA HA sing N N 87 +ASP C O doub N N 88 +ASP C OXT sing N N 89 +ASP CB CG sing N N 90 +ASP CB HB2 sing N N 91 +ASP CB HB3 sing N N 92 +ASP CG OD1 doub N N 93 +ASP CG OD2 sing N N 94 +ASP OD2 HD2 sing N N 95 +ASP OXT HXT sing N N 96 +CYS N CA sing N N 97 +CYS N H sing N N 98 +CYS N H2 sing N N 99 +CYS CA C sing N N 100 +CYS CA CB sing N N 101 +CYS CA HA sing N N 102 +CYS C O doub N N 103 +CYS C OXT sing N N 104 +CYS CB SG sing N N 105 +CYS CB HB2 sing N N 106 +CYS CB HB3 sing N N 107 +CYS SG HG sing N N 108 +CYS OXT HXT sing N N 109 +EDO C1 O1 sing N N 110 +EDO C1 C2 sing N N 111 +EDO C1 H11 sing N N 112 +EDO C1 H12 sing N N 113 +EDO O1 HO1 sing N N 114 +EDO C2 O2 sing N N 115 +EDO C2 H21 sing N N 116 +EDO C2 H22 sing N N 117 +EDO O2 HO2 sing N N 118 +GLN N CA sing N N 119 +GLN N H sing N N 120 +GLN N H2 sing N N 121 +GLN CA C sing N N 122 +GLN CA CB sing N N 123 +GLN CA HA sing N N 124 +GLN C O doub N N 125 +GLN C OXT sing N N 126 +GLN CB CG sing N N 127 +GLN CB HB2 sing N N 128 +GLN CB HB3 sing N N 129 +GLN CG CD sing N N 130 +GLN CG HG2 sing N N 131 +GLN CG HG3 sing N N 132 +GLN CD OE1 doub N N 133 +GLN CD NE2 sing N N 134 +GLN NE2 HE21 sing N N 135 +GLN NE2 HE22 sing N N 136 +GLN OXT HXT sing N N 137 +GLU N CA sing N N 138 +GLU N H sing N N 139 +GLU N H2 sing N N 140 +GLU CA C sing N N 141 +GLU CA CB sing N N 142 +GLU CA HA sing N N 143 +GLU C O doub N N 144 +GLU C OXT sing N N 145 +GLU CB CG sing N N 146 +GLU CB HB2 sing N N 147 +GLU CB HB3 sing N N 148 +GLU CG CD sing N N 149 +GLU CG HG2 sing N N 150 +GLU CG HG3 sing N N 151 +GLU CD OE1 doub N N 152 +GLU CD OE2 sing N N 153 +GLU OE2 HE2 sing N N 154 +GLU OXT HXT sing N N 155 +GLY N CA sing N N 156 +GLY N H sing N N 157 +GLY N H2 sing N N 158 +GLY CA C sing N N 159 +GLY CA HA2 sing N N 160 +GLY CA HA3 sing N N 161 +GLY C O doub N N 162 +GLY C OXT sing N N 163 +GLY OXT HXT sing N N 164 +GOL C1 O1 sing N N 165 +GOL C1 C2 sing N N 166 +GOL C1 H11 sing N N 167 +GOL C1 H12 sing N N 168 +GOL O1 HO1 sing N N 169 +GOL C2 O2 sing N N 170 +GOL C2 C3 sing N N 171 +GOL C2 H2 sing N N 172 +GOL O2 HO2 sing N N 173 +GOL C3 O3 sing N N 174 +GOL C3 H31 sing N N 175 +GOL C3 H32 sing N N 176 +GOL O3 HO3 sing N N 177 +HIS N CA sing N N 178 +HIS N H sing N N 179 +HIS N H2 sing N N 180 +HIS CA C sing N N 181 +HIS CA CB sing N N 182 +HIS CA HA sing N N 183 +HIS C O doub N N 184 +HIS C OXT sing N N 185 +HIS CB CG sing N N 186 +HIS CB HB2 sing N N 187 +HIS CB HB3 sing N N 188 +HIS CG ND1 sing Y N 189 +HIS CG CD2 doub Y N 190 +HIS ND1 CE1 doub Y N 191 +HIS ND1 HD1 sing N N 192 +HIS CD2 NE2 sing Y N 193 +HIS CD2 HD2 sing N N 194 +HIS CE1 NE2 sing Y N 195 +HIS CE1 HE1 sing N N 196 +HIS NE2 HE2 sing N N 197 +HIS OXT HXT sing N N 198 +HOH O H1 sing N N 199 +HOH O H2 sing N N 200 +ILE N CA sing N N 201 +ILE N H sing N N 202 +ILE N H2 sing N N 203 +ILE CA C sing N N 204 +ILE CA CB sing N N 205 +ILE CA HA sing N N 206 +ILE C O doub N N 207 +ILE C OXT sing N N 208 +ILE CB CG1 sing N N 209 +ILE CB CG2 sing N N 210 +ILE CB HB sing N N 211 +ILE CG1 CD1 sing N N 212 +ILE CG1 HG12 sing N N 213 +ILE CG1 HG13 sing N N 214 +ILE CG2 HG21 sing N N 215 +ILE CG2 HG22 sing N N 216 +ILE CG2 HG23 sing N N 217 +ILE CD1 HD11 sing N N 218 +ILE CD1 HD12 sing N N 219 +ILE CD1 HD13 sing N N 220 +ILE OXT HXT sing N N 221 +LEU N CA sing N N 222 +LEU N H sing N N 223 +LEU N H2 sing N N 224 +LEU CA C sing N N 225 +LEU CA CB sing N N 226 +LEU CA HA sing N N 227 +LEU C O doub N N 228 +LEU C OXT sing N N 229 +LEU CB CG sing N N 230 +LEU CB HB2 sing N N 231 +LEU CB HB3 sing N N 232 +LEU CG CD1 sing N N 233 +LEU CG CD2 sing N N 234 +LEU CG HG sing N N 235 +LEU CD1 HD11 sing N N 236 +LEU CD1 HD12 sing N N 237 +LEU CD1 HD13 sing N N 238 +LEU CD2 HD21 sing N N 239 +LEU CD2 HD22 sing N N 240 +LEU CD2 HD23 sing N N 241 +LEU OXT HXT sing N N 242 +LYS N CA sing N N 243 +LYS N H sing N N 244 +LYS N H2 sing N N 245 +LYS CA C sing N N 246 +LYS CA CB sing N N 247 +LYS CA HA sing N N 248 +LYS C O doub N N 249 +LYS C OXT sing N N 250 +LYS CB CG sing N N 251 +LYS CB HB2 sing N N 252 +LYS CB HB3 sing N N 253 +LYS CG CD sing N N 254 +LYS CG HG2 sing N N 255 +LYS CG HG3 sing N N 256 +LYS CD CE sing N N 257 +LYS CD HD2 sing N N 258 +LYS CD HD3 sing N N 259 +LYS CE NZ sing N N 260 +LYS CE HE2 sing N N 261 +LYS CE HE3 sing N N 262 +LYS NZ HZ1 sing N N 263 +LYS NZ HZ2 sing N N 264 +LYS NZ HZ3 sing N N 265 +LYS OXT HXT sing N N 266 +MET N CA sing N N 267 +MET N H sing N N 268 +MET N H2 sing N N 269 +MET CA C sing N N 270 +MET CA CB sing N N 271 +MET CA HA sing N N 272 +MET C O doub N N 273 +MET C OXT sing N N 274 +MET CB CG sing N N 275 +MET CB HB2 sing N N 276 +MET CB HB3 sing N N 277 +MET CG SD sing N N 278 +MET CG HG2 sing N N 279 +MET CG HG3 sing N N 280 +MET SD CE sing N N 281 +MET CE HE1 sing N N 282 +MET CE HE2 sing N N 283 +MET CE HE3 sing N N 284 +MET OXT HXT sing N N 285 +PHE N CA sing N N 286 +PHE N H sing N N 287 +PHE N H2 sing N N 288 +PHE CA C sing N N 289 +PHE CA CB sing N N 290 +PHE CA HA sing N N 291 +PHE C O doub N N 292 +PHE C OXT sing N N 293 +PHE CB CG sing N N 294 +PHE CB HB2 sing N N 295 +PHE CB HB3 sing N N 296 +PHE CG CD1 doub Y N 297 +PHE CG CD2 sing Y N 298 +PHE CD1 CE1 sing Y N 299 +PHE CD1 HD1 sing N N 300 +PHE CD2 CE2 doub Y N 301 +PHE CD2 HD2 sing N N 302 +PHE CE1 CZ doub Y N 303 +PHE CE1 HE1 sing N N 304 +PHE CE2 CZ sing Y N 305 +PHE CE2 HE2 sing N N 306 +PHE CZ HZ sing N N 307 +PHE OXT HXT sing N N 308 +PRO N CA sing N N 309 +PRO N CD sing N N 310 +PRO N H sing N N 311 +PRO CA C sing N N 312 +PRO CA CB sing N N 313 +PRO CA HA sing N N 314 +PRO C O doub N N 315 +PRO C OXT sing N N 316 +PRO CB CG sing N N 317 +PRO CB HB2 sing N N 318 +PRO CB HB3 sing N N 319 +PRO CG CD sing N N 320 +PRO CG HG2 sing N N 321 +PRO CG HG3 sing N N 322 +PRO CD HD2 sing N N 323 +PRO CD HD3 sing N N 324 +PRO OXT HXT sing N N 325 +SER N CA sing N N 326 +SER N H sing N N 327 +SER N H2 sing N N 328 +SER CA C sing N N 329 +SER CA CB sing N N 330 +SER CA HA sing N N 331 +SER C O doub N N 332 +SER C OXT sing N N 333 +SER CB OG sing N N 334 +SER CB HB2 sing N N 335 +SER CB HB3 sing N N 336 +SER OG HG sing N N 337 +SER OXT HXT sing N N 338 +SO4 S O1 doub N N 339 +SO4 S O2 doub N N 340 +SO4 S O3 sing N N 341 +SO4 S O4 sing N N 342 +THR N CA sing N N 343 +THR N H sing N N 344 +THR N H2 sing N N 345 +THR CA C sing N N 346 +THR CA CB sing N N 347 +THR CA HA sing N N 348 +THR C O doub N N 349 +THR C OXT sing N N 350 +THR CB OG1 sing N N 351 +THR CB CG2 sing N N 352 +THR CB HB sing N N 353 +THR OG1 HG1 sing N N 354 +THR CG2 HG21 sing N N 355 +THR CG2 HG22 sing N N 356 +THR CG2 HG23 sing N N 357 +THR OXT HXT sing N N 358 +TRP N CA sing N N 359 +TRP N H sing N N 360 +TRP N H2 sing N N 361 +TRP CA C sing N N 362 +TRP CA CB sing N N 363 +TRP CA HA sing N N 364 +TRP C O doub N N 365 +TRP C OXT sing N N 366 +TRP CB CG sing N N 367 +TRP CB HB2 sing N N 368 +TRP CB HB3 sing N N 369 +TRP CG CD1 doub Y N 370 +TRP CG CD2 sing Y N 371 +TRP CD1 NE1 sing Y N 372 +TRP CD1 HD1 sing N N 373 +TRP CD2 CE2 doub Y N 374 +TRP CD2 CE3 sing Y N 375 +TRP NE1 CE2 sing Y N 376 +TRP NE1 HE1 sing N N 377 +TRP CE2 CZ2 sing Y N 378 +TRP CE3 CZ3 doub Y N 379 +TRP CE3 HE3 sing N N 380 +TRP CZ2 CH2 doub Y N 381 +TRP CZ2 HZ2 sing N N 382 +TRP CZ3 CH2 sing Y N 383 +TRP CZ3 HZ3 sing N N 384 +TRP CH2 HH2 sing N N 385 +TRP OXT HXT sing N N 386 +TYR N CA sing N N 387 +TYR N H sing N N 388 +TYR N H2 sing N N 389 +TYR CA C sing N N 390 +TYR CA CB sing N N 391 +TYR CA HA sing N N 392 +TYR C O doub N N 393 +TYR C OXT sing N N 394 +TYR CB CG sing N N 395 +TYR CB HB2 sing N N 396 +TYR CB HB3 sing N N 397 +TYR CG CD1 doub Y N 398 +TYR CG CD2 sing Y N 399 +TYR CD1 CE1 sing Y N 400 +TYR CD1 HD1 sing N N 401 +TYR CD2 CE2 doub Y N 402 +TYR CD2 HD2 sing N N 403 +TYR CE1 CZ doub Y N 404 +TYR CE1 HE1 sing N N 405 +TYR CE2 CZ sing Y N 406 +TYR CE2 HE2 sing N N 407 +TYR CZ OH sing N N 408 +TYR OH HH sing N N 409 +TYR OXT HXT sing N N 410 +VAL N CA sing N N 411 +VAL N H sing N N 412 +VAL N H2 sing N N 413 +VAL CA C sing N N 414 +VAL CA CB sing N N 415 +VAL CA HA sing N N 416 +VAL C O doub N N 417 +VAL C OXT sing N N 418 +VAL CB CG1 sing N N 419 +VAL CB CG2 sing N N 420 +VAL CB HB sing N N 421 +VAL CG1 HG11 sing N N 422 +VAL CG1 HG12 sing N N 423 +VAL CG1 HG13 sing N N 424 +VAL CG2 HG21 sing N N 425 +VAL CG2 HG22 sing N N 426 +VAL CG2 HG23 sing N N 427 +VAL OXT HXT sing N N 428 +# +loop_ +_pdbx_entity_nonpoly.entity_id +_pdbx_entity_nonpoly.name +_pdbx_entity_nonpoly.comp_id +2 'SULFATE ION' SO4 +3 1,2-ETHANEDIOL EDO +4 GLYCEROL GOL +5 '2,6-dichloro-N-(2-oxo-2,5-dihydropyridin-4-yl)benzamide' 0X2 +6 water HOH +# +_pdbx_initial_refinement_model.id 1 +_pdbx_initial_refinement_model.entity_id_list ? +_pdbx_initial_refinement_model.type 'experimental model' +_pdbx_initial_refinement_model.source_name PDB +_pdbx_initial_refinement_model.accession_code 3NZ0 +_pdbx_initial_refinement_model.details ? +# diff --git a/data/sample/4gfo_customized.cif b/data/sample/4gfo_customized.cif new file mode 100644 index 0000000..ecb7a48 --- /dev/null +++ b/data/sample/4gfo_customized.cif @@ -0,0 +1,7824 @@ +data_pdb_00004gfo +_entry.id pdb_00004gfo +_entry.pdbx_doi 10.2210/pdbpdb_00004gfo/pdb + +_audit_conform.dict_name pdbx-v50.xsd +_audit_conform.dict_version 5.311 +_audit_conform.dict_location http://pdbml.pdb.org/schema/pdbx-v50.xsd + +loop_ +_database_2.database_code +_database_2.database_id +_database_2.pdbx_database_accession +4GFO PDB pdb_00004gfo +RCSB074123 RCSB ? +D_1000074123 WWPDB ? + +loop_ +_pdbx_database_related.content_type +_pdbx_database_related.db_id +_pdbx_database_related.db_name +unspecified 4GFM PDB +unspecified 4GIH PDB +unspecified 4GMY PDB + +_pdbx_database_status.entry_id pdb_00004gfo +_pdbx_database_status.status_code REL +_pdbx_database_status.recvd_initial_deposition_date 2012-08-03 +_pdbx_database_status.deposit_site RCSB +_pdbx_database_status.process_site RCSB +_pdbx_database_status.status_code_sf REL +_pdbx_database_status.pdb_format_compatible Y + +loop_ +_audit_author.pdbx_ordinal +_audit_author.name +1 'Eigenbrot, C.' +2 'Ultsch, M.' + +_citation.id primary +_citation.title 'Lead identification of novel and selective TYK2 inhibitors.' +_citation.journal_abbrev 'Eur J Med Chem' +_citation.journal_volume 67 +_citation.page_first 175 +_citation.page_last 187 +_citation.year 2013 +_citation.journal_id_astm EJMCA5 +_citation.country FR +_citation.journal_id_issn 0223-5234 +_citation.journal_id_csd 0493 +_citation.pdbx_database_id_pubmed 23867602 +_citation.pdbx_database_id_doi 10.1016/j.ejmech.2013.03.070 +_citation.abstract +;A therapeutic rationale is proposed for the treatment of inflammatory diseases, such as psoriasis and inflammatory bowel diseases (IBD), by selective targeting of TYK2. Hit triage, following a high-throughput screen for TYK2 inhibitors, revealed pyridine 1 as a promising starting point for lead identification. Initial expansion of 3 separate regions of the molecule led to eventual identification of cyclopropyl amide 46, a potent lead analog with good kinase selectivity, physicochemical properties, and pharmacokinetic profile. Analysis of the binding modes of the series in TYK2 and JAK2 crystal structures revealed key interactions leading to good TYK2 potency and design options for future optimization of selectivity. +; +_citation.journal_full 'European journal of medicinal chemistry' +_citation.language eng +_citation.unpublished_flag N + +loop_ +_citation_author.citation_id +_citation_author.name +_citation_author.ordinal +primary 'Liang J' 1 +primary 'Tsui V' 2 +primary 'Van Abbema A' 3 +primary 'Bao L' 4 +primary 'Barrett K' 5 +primary 'Beresini M' 6 +primary 'Berezhkovskiy L' 7 +primary 'Blair WS' 8 +primary 'Chang C' 9 +primary 'Driscoll J' 10 +primary 'Eigenbrot C' 11 +primary 'Ghilardi N' 12 +primary 'Gibbons P' 13 +primary 'Halladay J' 14 +primary 'Johnson A' 15 +primary 'Kohli PB' 16 +primary 'Lai Y' 17 +primary 'Liimatta M' 18 +primary 'Mantik P' 19 +primary 'Menghrajani K' 20 +primary 'Murray J' 21 +primary 'Sambrone A' 22 +primary 'Xiao Y' 23 +primary 'Shia S' 24 +primary 'Shin Y' 25 +primary 'Smith J' 26 +primary 'Sohn S' 27 +primary 'Stanley M' 28 +primary 'Ultsch M' 29 +primary 'Zhang B' 30 +primary 'Wu LC' 31 +primary 'Magnuson S' 32 + +_cell.entry_id pdb_00004gfo +_cell.length_a 49.361 +_cell.length_b 49.361 +_cell.length_c 420.686 +_cell.angle_alpha 90.00 +_cell.angle_beta 90.00 +_cell.angle_gamma 120.00 +_cell.z_pdb 12 +_cell.volume 887680.3 +_cell.reciprocal_length_a 0.023 +_cell.reciprocal_length_b 0.023 +_cell.reciprocal_length_c 0.002 +_cell.reciprocal_angle_alpha 90.00 +_cell.reciprocal_angle_beta 90.00 +_cell.reciprocal_angle_gamma 60.00 + +_symmetry.entry_id pdb_00004gfo +_symmetry.space_group_name_h-m P6522 +_symmetry.cell_setting hexagonal +_symmetry.int_tables_number 179 + +loop_ +_entity.id +_entity.type +_entity.src_method +_entity.pdbx_description +_entity.formula_weight +_entity.pdbx_number_of_molecules +_entity.pdbx_ec +_entity.pdbx_mutation +_entity.pdbx_fragment +1 polymer man 'Non-receptor tyrosine-protein kinase TYK2' 35002.1 1 2.7.10.2 D1023N 'JH1 domain, UNP residues 884-1176' +2 non-polymer syn 'SULFATE ION' 96.1 2 ? ? ? +3 non-polymer syn 1,2-ETHANEDIOL 62.1 2 ? ? ? +4 non-polymer syn GLYCEROL 92.1 1 ? ? ? +5 non-polymer syn 2,6-dichloro-N-(2-oxo-2,5-dihydropyridin-4-yl)benzamide 283.1 1 ? ? ? +6 water nat water 18.0 78 ? ? ? + +_entity_poly.entity_id 1 +_entity_poly.type polypeptide(L) +_entity_poly.nstd_linkage no +_entity_poly.nstd_monomer no +_entity_poly.pdbx_seq_one_letter_code +;MGSPASDPTVFHKRYLKKIRDLGEGHFGKVSLYCYDPTNDGTGEMVAVKALKADCGPQHRSGWKQEIDILRTLYHEHIIKYKGCCEDQGEKSLQLVMEYVPLGSLRDYLPRHSIGLAQLLLFAQQICEGMAYLHSQHYIHRNLAARNVLLDNDRLVKIGDFGLAKAVPEGHEYYRVREDGDSPVFWYAPECLKEYKFYYASDVWSFGVTLYELLTHCDSSQSPPTKFLELIGIAQGQMTVLRLTELLERGERLPRPDKCPCEVYHLMKNCWETEASFRPTFENLIPILKTVHEKYRHHHHHH +; +_entity_poly.pdbx_seq_one_letter_code_can +;MGSPASDPTVFHKRYLKKIRDLGEGHFGKVSLYCYDPTNDGTGEMVAVKALKADCGPQHRSGWKQEIDILRTLYHEHIIKYKGCCEDQGEKSLQLVMEYVPLGSLRDYLPRHSIGLAQLLLFAQQICEGMAYLHSQHYIHRNLAARNVLLDNDRLVKIGDFGLAKAVPEGHEYYRVREDGDSPVFWYAPECLKEYKFYYASDVWSFGVTLYELLTHCDSSQSPPTKFLELIGIAQGQMTVLRLTELLERGERLPRPDKCPCEVYHLMKNCWETEASFRPTFENLIPILKTVHEKYRHHHHHH +; +_entity_poly.pdbx_strand_id A +_entity_poly.nstd_chirality no +_entity_poly.number_of_monomers 302 + +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.mon_id +_entity_poly_seq.num +_entity_poly_seq.hetero +1 MET 1 n +1 GLY 2 n +1 SER 3 n +1 PRO 4 n +1 ALA 5 n +1 SER 6 n +1 ASP 7 n +1 PRO 8 n +1 THR 9 n +1 VAL 10 n +1 PHE 11 n +1 HIS 12 n +1 LYS 13 n +1 ARG 14 n +1 TYR 15 n +1 LEU 16 n +1 LYS 17 n +1 LYS 18 n +1 ILE 19 n +1 ARG 20 n +1 ASP 21 n +1 LEU 22 n +1 GLY 23 n +1 GLU 24 n +1 GLY 25 n +1 HIS 26 n +1 PHE 27 n +1 GLY 28 n +1 LYS 29 n +1 VAL 30 n +1 SER 31 n +1 LEU 32 n +1 TYR 33 n +1 CYS 34 n +1 TYR 35 n +1 ASP 36 n +1 PRO 37 n +1 THR 38 n +1 ASN 39 n +1 ASP 40 n +1 GLY 41 n +1 THR 42 n +1 GLY 43 n +1 GLU 44 n +1 MET 45 n +1 VAL 46 n +1 ALA 47 n +1 VAL 48 n +1 LYS 49 n +1 ALA 50 n +1 LEU 51 n +1 LYS 52 n +1 ALA 53 n +1 ASP 54 n +1 CYS 55 n +1 GLY 56 n +1 PRO 57 n +1 GLN 58 n +1 HIS 59 n +1 ARG 60 n +1 SER 61 n +1 GLY 62 n +1 TRP 63 n +1 LYS 64 n +1 GLN 65 n +1 GLU 66 n +1 ILE 67 n +1 ASP 68 n +1 ILE 69 n +1 LEU 70 n +1 ARG 71 n +1 THR 72 n +1 LEU 73 n +1 TYR 74 n +1 HIS 75 n +1 GLU 76 n +1 HIS 77 n +1 ILE 78 n +1 ILE 79 n +1 LYS 80 n +1 TYR 81 n +1 LYS 82 n +1 GLY 83 n +1 CYS 84 n +1 CYS 85 n +1 GLU 86 n +1 ASP 87 n +1 GLN 88 n +1 GLY 89 n +1 GLU 90 n +1 LYS 91 n +1 SER 92 n +1 LEU 93 n +1 GLN 94 n +1 LEU 95 n +1 VAL 96 n +1 MET 97 n +1 GLU 98 n +1 TYR 99 n +1 VAL 100 n +1 PRO 101 n +1 LEU 102 n +1 GLY 103 n +1 SER 104 n +1 LEU 105 n +1 ARG 106 n +1 ASP 107 n +1 TYR 108 n +1 LEU 109 n +1 PRO 110 n +1 ARG 111 n +1 HIS 112 n +1 SER 113 n +1 ILE 114 n +1 GLY 115 n +1 LEU 116 n +1 ALA 117 n +1 GLN 118 n +1 LEU 119 n +1 LEU 120 n +1 LEU 121 n +1 PHE 122 n +1 ALA 123 n +1 GLN 124 n +1 GLN 125 n +1 ILE 126 n +1 CYS 127 n +1 GLU 128 n +1 GLY 129 n +1 MET 130 n +1 ALA 131 n +1 TYR 132 n +1 LEU 133 n +1 HIS 134 n +1 SER 135 n +1 GLN 136 n +1 HIS 137 n +1 TYR 138 n +1 ILE 139 n +1 HIS 140 n +1 ARG 141 n +1 ASN 142 n +1 LEU 143 n +1 ALA 144 n +1 ALA 145 n +1 ARG 146 n +1 ASN 147 n +1 VAL 148 n +1 LEU 149 n +1 LEU 150 n +1 ASP 151 n +1 ASN 152 n +1 ASP 153 n +1 ARG 154 n +1 LEU 155 n +1 VAL 156 n +1 LYS 157 n +1 ILE 158 n +1 GLY 159 n +1 ASP 160 n +1 PHE 161 n +1 GLY 162 n +1 LEU 163 n +1 ALA 164 n +1 LYS 165 n +1 ALA 166 n +1 VAL 167 n +1 PRO 168 n +1 GLU 169 n +1 GLY 170 n +1 HIS 171 n +1 GLU 172 n +1 TYR 173 n +1 TYR 174 n +1 ARG 175 n +1 VAL 176 n +1 ARG 177 n +1 GLU 178 n +1 ASP 179 n +1 GLY 180 n +1 ASP 181 n +1 SER 182 n +1 PRO 183 n +1 VAL 184 n +1 PHE 185 n +1 TRP 186 n +1 TYR 187 n +1 ALA 188 n +1 PRO 189 n +1 GLU 190 n +1 CYS 191 n +1 LEU 192 n +1 LYS 193 n +1 GLU 194 n +1 TYR 195 n +1 LYS 196 n +1 PHE 197 n +1 TYR 198 n +1 TYR 199 n +1 ALA 200 n +1 SER 201 n +1 ASP 202 n +1 VAL 203 n +1 TRP 204 n +1 SER 205 n +1 PHE 206 n +1 GLY 207 n +1 VAL 208 n +1 THR 209 n +1 LEU 210 n +1 TYR 211 n +1 GLU 212 n +1 LEU 213 n +1 LEU 214 n +1 THR 215 n +1 HIS 216 n +1 CYS 217 n +1 ASP 218 n +1 SER 219 n +1 SER 220 n +1 GLN 221 n +1 SER 222 n +1 PRO 223 n +1 PRO 224 n +1 THR 225 n +1 LYS 226 n +1 PHE 227 n +1 LEU 228 n +1 GLU 229 n +1 LEU 230 n +1 ILE 231 n +1 GLY 232 n +1 ILE 233 n +1 ALA 234 n +1 GLN 235 n +1 GLY 236 n +1 GLN 237 n +1 MET 238 n +1 THR 239 n +1 VAL 240 n +1 LEU 241 n +1 ARG 242 n +1 LEU 243 n +1 THR 244 n +1 GLU 245 n +1 LEU 246 n +1 LEU 247 n +1 GLU 248 n +1 ARG 249 n +1 GLY 250 n +1 GLU 251 n +1 ARG 252 n +1 LEU 253 n +1 PRO 254 n +1 ARG 255 n +1 PRO 256 n +1 ASP 257 n +1 LYS 258 n +1 CYS 259 n +1 PRO 260 n +1 CYS 261 n +1 GLU 262 n +1 VAL 263 n +1 TYR 264 n +1 HIS 265 n +1 LEU 266 n +1 MET 267 n +1 LYS 268 n +1 ASN 269 n +1 CYS 270 n +1 TRP 271 n +1 GLU 272 n +1 THR 273 n +1 GLU 274 n +1 ALA 275 n +1 SER 276 n +1 PHE 277 n +1 ARG 278 n +1 PRO 279 n +1 THR 280 n +1 PHE 281 n +1 GLU 282 n +1 ASN 283 n +1 LEU 284 n +1 ILE 285 n +1 PRO 286 n +1 ILE 287 n +1 LEU 288 n +1 LYS 289 n +1 THR 290 n +1 VAL 291 n +1 HIS 292 n +1 GLU 293 n +1 LYS 294 n +1 TYR 295 n +1 ARG 296 n +1 HIS 297 n +1 HIS 298 n +1 HIS 299 n +1 HIS 300 n +1 HIS 301 n +1 HIS 302 n + +_entity_src_gen.entity_id 1 +_entity_src_gen.pdbx_src_id 1 +_entity_src_gen.pdbx_alt_source_flag sample +_entity_src_gen.gene_src_common_name human +_entity_src_gen.pdbx_gene_src_gene TYK2 +_entity_src_gen.pdbx_gene_src_scientific_name 'Homo sapiens' +_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 9606 +_entity_src_gen.host_org_common_name 'fall armyworm' +_entity_src_gen.pdbx_host_org_scientific_name 'Spodoptera frugiperda' +_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 7108 + +_struct_ref.id 1 +_struct_ref.db_name UNP +_struct_ref.db_code TYK2_HUMAN +_struct_ref.pdbx_db_accession P29597 +_struct_ref.entity_id 1 +_struct_ref.pdbx_seq_one_letter_code +;MPLRHWGMARGSKPVGDGAQPMAAMGGLKVLLHWAGPGGGEPWVTFSESSLTAEEVCIHIAHKVGITPPCFNLFALFDAQAQVWLPPNHILEIPRDASLMLYFRIRFYFRNWHGMNPREPAVYRCGPPGTEASSDQTAQGMQLLDPASFEYLFEQGKHEFVNDVASLWELSTEEEIHHFKNESLGMAFLHLCHLALRHGIPLEEVAKKTSFKDCIPRSFRRHIRQHSALTRLRLRNVFRRFLRDFQPGRLSQQMVMVKYLATLERLAPRFGTERVPVCHLRLLAQAEGEPCYIRDSGVAPTDPGPESAAGPPTHEVLVTGTGGIQWWPVEEEVNKEEGSSGSSGRNPQASLFGKKAKAHKAVGQPADRPREPLWAYFCDFRDITHVVLKEHCVSIHRQDNKCLELSLPSRAAALSFVSLVDGYFRLTADSSHYLCHEVAPPRLVMSIRDGIHGPLLEPFVQAKLRPEDGLYLIHWSTSHPYRLILTVAQRSQAPDGMQSLRLRKFPIEQQDGAFVLEGWGRSFPSVRELGAALQGCLLRAGDDCFSLRRCCLPQPGETSNLIIMRGARASPRTLNLSQLSFHRVDQKEITQLSHLGQGTRTNVYEGRLRVEGSGDPEEGKMDDEDPLVPGRDRGQELRVVLKVLDPSHHDIALAFYETASLMSQVSHTHLAFVHGVCVRGPENIMVTEYVEHGPLDVWLRRERGHVPMAWKMVVAQQLASALSYLENKNLVHGNVCGRNILLARLGLAEGTSPFIKLSDPGVGLGALSREERVERIPWLAPECLPGGANSLSTAMDKWGFGATLLEICFDGEAPLQSRSPSEKEHFYQRQHRLPEPSCPQLATLTSQCLTYEPTQRPSFRTILRDLTRLQPHNLADVLTVNPDSPASDPTVFHKRYLKKIRDLGEGHFGKVSLYCYDPTNDGTGEMVAVKALKADCGPQHRSGWKQEIDILRTLYHEHIIKYKGCCEDQGEKSLQLVMEYVPLGSLRDYLPRHSIGLAQLLLFAQQICEGMAYLHAQHYIHRDLAARNVLLDNDRLVKIGDFGLAKAVPEGHEYYRVREDGDSPVFWYAPECLKEYKFYYASDVWSFGVTLYELLTHCDSSQSPPTKFLELIGIAQGQMTVLRLTELLERGERLPRPDKCPCEVYHLMKNCWETEASFRPTFENLIPILKTVHEKYQGQAPSVFSVC +; +_struct_ref.pdbx_align_begin 884 +_struct_ref.seq_dif yes +_struct_ref.seq_align partial + +_struct_ref_seq.align_id 1 +_struct_ref_seq.ref_id 1 +_struct_ref_seq.pdbx_pdb_id_code pdb_00004gfo +_struct_ref_seq.pdbx_strand_id A +_struct_ref_seq.seq_align_beg 3 +_struct_ref_seq.seq_align_end 295 +_struct_ref_seq.pdbx_db_accession P29597 +_struct_ref_seq.db_align_beg 884 +_struct_ref_seq.db_align_end 1176 +_struct_ref_seq.pdbx_auth_seq_align_beg 884 +_struct_ref_seq.pdbx_auth_seq_align_end 1176 + +loop_ +_struct_ref_seq_dif.pdbx_ordinal +_struct_ref_seq_dif.align_id +_struct_ref_seq_dif.pdbx_pdb_id_code +_struct_ref_seq_dif.mon_id +_struct_ref_seq_dif.pdbx_pdb_strand_id +_struct_ref_seq_dif.seq_num +_struct_ref_seq_dif.pdbx_seq_db_name +_struct_ref_seq_dif.pdbx_seq_db_accession_code +_struct_ref_seq_dif.db_mon_id +_struct_ref_seq_dif.pdbx_seq_db_seq_num +_struct_ref_seq_dif.details +_struct_ref_seq_dif.pdbx_auth_seq_num +1 1 pdb_00004gfo MET A 1 UNP P29597 ? ? 'EXPRESSION TAG' 882 +2 1 pdb_00004gfo GLY A 2 UNP P29597 ? ? 'EXPRESSION TAG' 883 +3 1 pdb_00004gfo SER A 135 UNP P29597 ALA 1016 CONFLICT 1016 +4 1 pdb_00004gfo ASN A 142 UNP P29597 ASP 1023 'ENGINEERED MUTATION' 1023 +5 1 pdb_00004gfo ARG A 296 UNP P29597 ? ? 'EXPRESSION TAG' 1177 +6 1 pdb_00004gfo HIS A 297 UNP P29597 ? ? 'EXPRESSION TAG' 1178 +7 1 pdb_00004gfo HIS A 298 UNP P29597 ? ? 'EXPRESSION TAG' 1179 +8 1 pdb_00004gfo HIS A 299 UNP P29597 ? ? 'EXPRESSION TAG' 1180 +9 1 pdb_00004gfo HIS A 300 UNP P29597 ? ? 'EXPRESSION TAG' 1181 +10 1 pdb_00004gfo HIS A 301 UNP P29597 ? ? 'EXPRESSION TAG' 1182 +11 1 pdb_00004gfo HIS A 302 UNP P29597 ? ? 'EXPRESSION TAG' 1183 + +loop_ +_chem_comp.id +_chem_comp.type +_chem_comp.mon_nstd_flag +_chem_comp.name +_chem_comp.pdbx_synonyms +_chem_comp.formula +_chem_comp.formula_weight +_chem_comp.model_details +_chem_comp.pdbx_formal_charge +0X2 non-polymer ? 2,6-dichloro-N-(2-oxo-2,5-dihydropyridin-4-yl)benzamide ? 'C12 H8 Cl2 N2 O2' 283.11 'mmCIF Dictionary' 0 +ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.09 'mmCIF Dictionary' 0 +ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.21 'mmCIF Dictionary' 1 +ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.12 'mmCIF Dictionary' 0 +ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.10 'mmCIF Dictionary' 0 +CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.16 'mmCIF Dictionary' 0 +EDO non-polymer ? 1,2-ETHANEDIOL 'ETHYLENE GLYCOL' 'C2 H6 O2' 62.07 'mmCIF Dictionary' 0 +GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.14 'mmCIF Dictionary' 0 +GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.13 'mmCIF Dictionary' 0 +GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.07 'mmCIF Dictionary' 0 +GOL non-polymer ? GLYCEROL 'GLYCERIN; PROPANE-1,2,3-TRIOL' 'C3 H8 O3' 92.09 'mmCIF Dictionary' 0 +HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.16 'mmCIF Dictionary' 1 +HOH non-polymer ? WATER ? 'H2 O' 18.02 'mmCIF Dictionary' 0 +ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.17 'mmCIF Dictionary' 0 +LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.17 'mmCIF Dictionary' 0 +LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.19 'mmCIF Dictionary' 1 +MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.21 'mmCIF Dictionary' 0 +PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.19 'mmCIF Dictionary' 0 +PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.13 'mmCIF Dictionary' 0 +SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.09 'mmCIF Dictionary' 0 +SO4 non-polymer ? 'SULFATE ION' ? 'O4 S -2' 96.06 'mmCIF Dictionary' -2 +THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.12 'mmCIF Dictionary' 0 +TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.22 'mmCIF Dictionary' 0 +TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.19 'mmCIF Dictionary' 0 +VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.15 'mmCIF Dictionary' 0 + +_exptl.entry_id pdb_00004gfo +_exptl.method 'X-RAY DIFFRACTION' +_exptl.crystals_number 1 + +_exptl_crystal.id 1 +_exptl_crystal.density_matthews 2.110 +_exptl_crystal.density_percent_sol 41.800 + +_exptl_crystal_grow.crystal_id 1 +_exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP' +_exptl_crystal_grow.temp 300.000 +_exptl_crystal_grow.ph 5.000 +_exptl_crystal_grow.pdbx_details +;2 M ammonium sulfate, pH 5, VAPOR DIFFUSION, SITTING DROP, temperature 300K +; + +_diffrn.id 1 +_diffrn.ambient_temp 100.0 +_diffrn.crystal_id 1 + +_diffrn_detector.diffrn_id 1 +_diffrn_detector.detector CCD +_diffrn_detector.type 'MARMOSAIC 325 mm CCD' +_diffrn_detector.pdbx_collection_date 2008-11-13 + +_diffrn_radiation.diffrn_id 1 +_diffrn_radiation.wavelength_id 1 +_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M +_diffrn_radiation.monochromator Si(111) +_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' +_diffrn_radiation.pdbx_scattering_type x-ray + +_diffrn_radiation_wavelength.id 1 +_diffrn_radiation_wavelength.wavelength 0.9800 +_diffrn_radiation_wavelength.wt 1.000 + +_diffrn_source.diffrn_id 1 +_diffrn_source.source SYNCHROTRON +_diffrn_source.type 'SSRL BEAMLINE BL9-2' +_diffrn_source.pdbx_synchrotron_site SSRL +_diffrn_source.pdbx_synchrotron_beamline BL9-2 +_diffrn_source.pdbx_wavelength_list 0.98 + +_reflns.pdbx_ordinal 1 +_reflns.pdbx_diffrn_id 1 +_reflns.entry_id pdb_00004gfo +_reflns.observed_criterion_sigma_i -3.000 +_reflns.observed_criterion_sigma_f 0.000 +_reflns.d_resolution_low 50.000 +_reflns.d_resolution_high 2.300 +_reflns.number_obs 171418 +_reflns.number_all 171418 +_reflns.percent_possible_obs 92.600 +_reflns.pdbx_rsym_value 0.0720000 +_reflns.pdbx_neti_over_sigmai 39.000 +_reflns.b_iso_wilson_estimate 41.010 +_reflns.pdbx_redundancy 12.000 +_reflns.pdbx_neti_over_av_sigmai 39.000 +_reflns.pdbx_d_opt 1.772 + +_refine.entry_id pdb_00004gfo +_refine.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine.pdbx_diffrn_id 1 +_refine.ls_number_reflns_obs 13821 +_refine.ls_number_reflns_all 13821 +_refine.pdbx_ls_sigma_f 0.000 +_refine.ls_d_res_low 42.530 +_refine.ls_d_res_high 2.300 +_refine.ls_percent_reflns_obs 93.160 +_refine.ls_r_factor_obs 0.2367000 +_refine.ls_r_factor_r_work 0.2341000 +_refine.ls_r_factor_r_free 0.2868000 +_refine.ls_percent_reflns_r_free 5.160 +_refine.ls_number_reflns_r_free 713 +_refine.correlation_coeff_fo_to_fc 0.914 +_refine.correlation_coeff_fo_to_fc_free 0.867 +_refine.b_iso_mean 50.750 +_refine.pdbx_ls_cross_valid_method THROUGHOUT +_refine.pdbx_starting_model 3NZ0 +_refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' +_refine.pdbx_stereochemistry_target_values 'Engh & Huber' +_refine.pdbx_r_free_selection_details RANDOM +_refine.overall_su_r_cruickshank_dpi 0.423 +_refine.aniso_b11 -4.147 +_refine.aniso_b22 -4.147 +_refine.aniso_b33 8.294 +_refine.aniso_b12 0.000 +_refine.aniso_b13 0.000 +_refine.aniso_b23 0.000 +_refine.pdbx_overall_su_r_free_blow_dpi 0.259 + +_refine_analyze.entry_id pdb_00004gfo +_refine_analyze.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_analyze.luzzati_coordinate_error_obs 0.454 + +_refine_hist.cycle_id LAST +_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_hist.pdbx_number_atoms_protein 2236 +_refine_hist.pdbx_number_atoms_nucleic_acid 0 +_refine_hist.pdbx_number_atoms_ligand 42 +_refine_hist.number_atoms_solvent 78 +_refine_hist.number_atoms_total 2356 +_refine_hist.d_res_high 2.300 +_refine_hist.d_res_low 42.530 + +loop_ +_refine_ls_restr.pdbx_refine_id +_refine_ls_restr.type +_refine_ls_restr.dev_ideal +_refine_ls_restr.weight +_refine_ls_restr.number +_refine_ls_restr.pdbx_restraint_function +'X-RAY DIFFRACTION' t_bond_d 0.008 2.000 2413 HARMONIC +'X-RAY DIFFRACTION' t_angle_deg 1.020 2.000 3273 HARMONIC +'X-RAY DIFFRACTION' t_dihedral_angle_d ? 2.000 838 SINUSOIDAL +'X-RAY DIFFRACTION' t_incorr_chiral_ct ? ? ? ? +'X-RAY DIFFRACTION' t_pseud_angle ? ? ? ? +'X-RAY DIFFRACTION' t_trig_c_planes ? 2.000 51 HARMONIC +'X-RAY DIFFRACTION' t_gen_planes ? 5.000 351 HARMONIC +'X-RAY DIFFRACTION' t_it ? 20.000 2413 HARMONIC +'X-RAY DIFFRACTION' t_nbd ? ? ? ? +'X-RAY DIFFRACTION' t_omega_torsion 2.530 ? ? ? +'X-RAY DIFFRACTION' t_other_torsion 19.830 ? ? ? +'X-RAY DIFFRACTION' t_improper_torsion ? ? ? ? +'X-RAY DIFFRACTION' t_chiral_improper_torsion ? 5.000 287 SEMIHARMONIC +'X-RAY DIFFRACTION' t_sum_occupancies ? ? ? ? +'X-RAY DIFFRACTION' t_utility_distance ? ? ? ? +'X-RAY DIFFRACTION' t_utility_angle ? ? ? ? +'X-RAY DIFFRACTION' t_utility_torsion ? ? ? ? +'X-RAY DIFFRACTION' t_ideal_dist_contact ? 4.000 2832 SEMIHARMONIC + +_refine_ls_shell.d_res_high 2.3000 +_refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_ls_shell.pdbx_total_number_of_bins_used 7 +_refine_ls_shell.d_res_low 2.4800 +_refine_ls_shell.number_reflns_r_work 1925 +_refine_ls_shell.r_factor_r_work 0.2526000 +_refine_ls_shell.percent_reflns_obs 93.16 +_refine_ls_shell.r_factor_r_free 0.2757000 +_refine_ls_shell.percent_reflns_r_free 4.840 +_refine_ls_shell.number_reflns_r_free 98 +_refine_ls_shell.number_reflns_all 2023 +_refine_ls_shell.r_factor_all 0.254 + +_pdbx_refine.entry_id pdb_00004gfo +_pdbx_refine.pdbx_refine_id 'X-RAY DIFFRACTION' +_pdbx_refine.number_reflns_obs_no_cutoff 13821.000 + +_struct.entry_id pdb_00004gfo +_struct.title +;TYK2 kinase (JH1 domain) with 2,6-DICHLORO-N-(2-OXO-2,5-DIHYDROPYRIDIN-4-YL)BENZAMIDE +; +_struct.pdbx_descriptor 'Non-receptor tyrosine-protein kinase TYK2 (E.C.2.7.10.2)' + +_struct_keywords.entry_id pdb_00004gfo +_struct_keywords.pdbx_keywords 'TRANSFERASE/TRANSFERASE INHIBITOR' +_struct_keywords.text +;protein kinase, phosphotransfer catalyst, TRANSFERASE-TRANSFERASE INHIBITOR complex +; + +loop_ +_struct_asym.id +_struct_asym.pdbx_blank_pdb_chainid_flag +_struct_asym.pdbx_modified +_struct_asym.entity_id +A N N 1 +B N N 2 +C N N 2 +D N N 3 +E N N 3 +F N N 4 +G N N 5 +H N N 6 + +_struct_biol.id 1 + +loop_ +_struct_conf.id +_struct_conf.conf_type_id +_struct_conf.pdbx_pdb_helix_id +_struct_conf.beg_label_comp_id +_struct_conf.beg_label_asym_id +_struct_conf.beg_label_seq_id +_struct_conf.end_label_comp_id +_struct_conf.end_label_asym_id +_struct_conf.end_label_seq_id +_struct_conf.beg_auth_comp_id +_struct_conf.beg_auth_asym_id +_struct_conf.beg_auth_seq_id +_struct_conf.end_auth_comp_id +_struct_conf.end_auth_asym_id +_struct_conf.end_auth_seq_id +_struct_conf.pdbx_pdb_helix_class +_struct_conf.details +_struct_conf.pdbx_pdb_helix_length +HELX_RH_3T_P1 HELX_RH_3T_P HELX_1 LYS A 13 TYR A 15 LYS A 894 TYR A 896 5 'Generated by MOE' 3 +HELX_RH_AL_P2 HELX_RH_AL_P HELX_2 LYS A 64 ARG A 71 LYS A 945 ARG A 952 1 'Generated by MOE' 8 +HELX_RH_AL_P3 HELX_RH_AL_P HELX_3 LEU A 105 ARG A 111 LEU A 986 ARG A 992 1 'Generated by MOE' 7 +HELX_RH_AL_P4 HELX_RH_AL_P HELX_4 LEU A 116 SER A 135 LEU A 997 SER A 1016 1 'Generated by MOE' 20 +HELX_RH_3T_P5 HELX_RH_3T_P HELX_5 ALA A 145 ASN A 147 ALA A 1026 ASN A 1028 5 'Generated by MOE' 3 +HELX_RH_3T_P6 HELX_RH_3T_P HELX_6 VAL A 184 TRP A 186 VAL A 1065 TRP A 1067 5 'Generated by MOE' 3 +HELX_RH_AL_P7 HELX_RH_AL_P HELX_7 PRO A 189 LYS A 193 PRO A 1070 LYS A 1074 1 'Generated by MOE' 5 +HELX_RH_AL_P8 HELX_RH_AL_P HELX_8 TYR A 199 LEU A 214 TYR A 1080 LEU A 1095 1 'Generated by MOE' 16 +HELX_RH_3T_P9 HELX_RH_3T_P HELX_9 SER A 219 GLN A 221 SER A 1100 GLN A 1102 5 'Generated by MOE' 3 +HELX_RH_AL_P10 HELX_RH_AL_P HELX_10 PRO A 223 GLU A 229 PRO A 1104 GLU A 1110 1 'Generated by MOE' 7 +HELX_RH_AL_P11 HELX_RH_AL_P HELX_11 VAL A 240 GLU A 248 VAL A 1121 GLU A 1129 1 'Generated by MOE' 9 +HELX_RH_AL_P12 HELX_RH_AL_P HELX_12 CYS A 261 CYS A 270 CYS A 1142 CYS A 1151 1 'Generated by MOE' 10 +HELX_RH_3T_P13 HELX_RH_3T_P HELX_13 ALA A 275 PHE A 277 ALA A 1156 PHE A 1158 5 'Generated by MOE' 3 +HELX_RH_AL_P14 HELX_RH_AL_P HELX_14 PHE A 281 TYR A 295 PHE A 1162 TYR A 1176 1 'Generated by MOE' 15 +TURN_P1 TURN_P TURN_1 PRO A 37 THR A 38 PRO A 918 THR A 919 ? 'Generated by MOE' ? +TURN_P2 TURN_P TURN_2 THR A 72 THR A 72 THR A 953 THR A 953 ? 'Generated by MOE' ? +TURN_P3 TURN_P TURN_3 GLU A 76 HIS A 77 GLU A 957 HIS A 958 ? 'Generated by MOE' ? +TURN_P4 TURN_P TURN_4 PRO A 101 LEU A 102 PRO A 982 LEU A 983 ? 'Generated by MOE' ? +TURN_P5 TURN_P TURN_5 GLN A 136 HIS A 137 GLN A 1017 HIS A 1018 ? 'Generated by MOE' ? +TURN_P6 TURN_P TURN_6 ASN A 152 ASP A 153 ASN A 1033 ASP A 1034 ? 'Generated by MOE' ? +TURN_P7 TURN_P TURN_7 GLU A 169 GLY A 170 GLU A 1050 GLY A 1051 ? 'Generated by MOE' ? +TURN_P8 TURN_P TURN_8 GLY A 180 ASP A 181 GLY A 1061 ASP A 1062 ? 'Generated by MOE' ? +TURN_P9 TURN_P TURN_9 THR A 215 CYS A 217 THR A 1096 CYS A 1098 ? 'Generated by MOE' ? +TURN_P10 TURN_P TURN_10 LEU A 230 GLY A 232 LEU A 1111 GLY A 1113 ? 'Generated by MOE' ? +TURN_P11 TURN_P TURN_11 GLN A 235 GLY A 236 GLN A 1116 GLY A 1117 ? 'Generated by MOE' ? +TURN_P12 TURN_P TURN_12 ARG A 249 GLY A 250 ARG A 1130 GLY A 1131 ? 'Generated by MOE' ? +TURN_P13 TURN_P TURN_13 ASP A 257 LYS A 258 ASP A 1138 LYS A 1139 ? 'Generated by MOE' ? +TURN_P14 TURN_P TURN_14 TRP A 271 TRP A 271 TRP A 1152 TRP A 1152 ? 'Generated by MOE' ? + +loop_ +_struct_conf_type.id +HELX_RH_3T_P +HELX_RH_AL_P +TURN_P + +loop_ +_struct_sheet.id +_struct_sheet.number_strands +A 5 +B 2 +C 2 +D 2 + +loop_ +_struct_sheet_order.range_id_1 +_struct_sheet_order.range_id_2 +_struct_sheet_order.sheet_id +_struct_sheet_order.sense +1 2 A anti-parallel +2 3 A anti-parallel +3 4 A anti-parallel +4 5 A anti-parallel +1 2 B anti-parallel +1 2 C anti-parallel +1 2 D anti-parallel + +loop_ +_struct_sheet_range.id +_struct_sheet_range.sheet_id +_struct_sheet_range.beg_label_comp_id +_struct_sheet_range.beg_label_asym_id +_struct_sheet_range.beg_label_seq_id +_struct_sheet_range.pdbx_beg_pdb_ins_code +_struct_sheet_range.end_label_comp_id +_struct_sheet_range.end_label_asym_id +_struct_sheet_range.end_label_seq_id +_struct_sheet_range.pdbx_end_pdb_ins_code +_struct_sheet_range.beg_auth_comp_id +_struct_sheet_range.beg_auth_asym_id +_struct_sheet_range.beg_auth_seq_id +_struct_sheet_range.end_auth_comp_id +_struct_sheet_range.end_auth_asym_id +_struct_sheet_range.end_auth_seq_id +1 A LEU A 16 ' ' GLU A 24 ' ' LEU A 897 GLU A 905 +2 A LYS A 29 ' ' TYR A 35 ' ' LYS A 910 TYR A 916 +3 A GLU A 44 ' ' ALA A 50 ' ' GLU A 925 ALA A 931 +4 A GLN A 94 ' ' GLU A 98 ' ' GLN A 975 GLU A 979 +5 A TYR A 81 ' ' CYS A 85 ' ' TYR A 962 CYS A 966 +1 B TYR A 138 ' ' ILE A 139 ' ' TYR A 1019 ILE A 1020 +2 B LYS A 165 ' ' ALA A 166 ' ' LYS A 1046 ALA A 1047 +1 C VAL A 148 ' ' LEU A 150 ' ' VAL A 1029 LEU A 1031 +2 C VAL A 156 ' ' ILE A 158 ' ' VAL A 1037 ILE A 1039 +1 D TYR A 173 ' ' ARG A 175 ' ' TYR A 1054 ARG A 1056 +2 D LYS A 196 ' ' TYR A 198 ' ' LYS A 1077 TYR A 1079 + +loop_ +_pdbx_struct_sheet_hbond.range_id_1 +_pdbx_struct_sheet_hbond.range_id_2 +_pdbx_struct_sheet_hbond.sheet_id +_pdbx_struct_sheet_hbond.range_1_label_atom_id +_pdbx_struct_sheet_hbond.range_1_label_comp_id +_pdbx_struct_sheet_hbond.range_1_label_asym_id +_pdbx_struct_sheet_hbond.range_1_label_seq_id +_pdbx_struct_sheet_hbond.range_1_pdb_ins_code +_pdbx_struct_sheet_hbond.range_1_auth_atom_id +_pdbx_struct_sheet_hbond.range_1_auth_comp_id +_pdbx_struct_sheet_hbond.range_1_auth_asym_id +_pdbx_struct_sheet_hbond.range_1_auth_seq_id +_pdbx_struct_sheet_hbond.range_2_label_atom_id +_pdbx_struct_sheet_hbond.range_2_label_comp_id +_pdbx_struct_sheet_hbond.range_2_label_asym_id +_pdbx_struct_sheet_hbond.range_2_label_seq_id +_pdbx_struct_sheet_hbond.range_2_pdb_ins_code +_pdbx_struct_sheet_hbond.range_2_auth_atom_id +_pdbx_struct_sheet_hbond.range_2_auth_comp_id +_pdbx_struct_sheet_hbond.range_2_auth_asym_id +_pdbx_struct_sheet_hbond.range_2_auth_seq_id +1 2 A O GLY A 23 ' ' O GLY A 904 N VAL A 30 ' ' N VAL A 911 +2 3 A N TYR A 33 ' ' N TYR A 914 O VAL A 46 ' ' O VAL A 927 +3 4 A O ALA A 47 ' ' O ALA A 928 N MET A 97 ' ' N MET A 978 +4 5 A N GLN A 94 ' ' N GLN A 975 O CYS A 85 ' ' O CYS A 966 +1 2 B N ILE A 139 ' ' N ILE A 1020 O LYS A 165 ' ' O LYS A 1046 +1 2 C N LEU A 149 ' ' N LEU A 1030 O LYS A 157 ' ' O LYS A 1038 +1 2 D N TYR A 174 ' ' N TYR A 1055 O PHE A 197 ' ' O PHE A 1078 + +loop_ +_struct_site.id +_struct_site.pdbx_evidence_code +_struct_site.pdbx_num_residues +_struct_site.details +AC1 Software 2 'BINDING SITE FOR RESIDUE SO4 A 1201' +AC2 Software 7 'BINDING SITE FOR RESIDUE SO4 A 1202' +AC3 Software 4 'BINDING SITE FOR RESIDUE EDO A 1203' +AC4 Software 3 'BINDING SITE FOR RESIDUE EDO A 1204' +AC5 Software 5 'BINDING SITE FOR RESIDUE GOL A 1205' +AC6 Software 13 'BINDING SITE FOR RESIDUE 0X2 A 1206' +KIN-GLOOPA PSILO 9 'G-Loop, auto-detected' +KIN-K72A PSILO 3 'Conserved Lys72, auto-detected' +KIN-GATEA PSILO 1 'Gatekeeper, auto-detected' +KIN-HINGEA PSILO 7 'Hinge, auto-detected' +KIN-HRDA PSILO 10 'HRD motif, auto-detected' +KIN-DFGA PSILO 4 'DFG motif, auto-detected' +LIGANDRECEPTOR1 PSILO 18 +;Neighbourhood of 1:A_0X2_1206 (Entity 5) R64Site 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 +; +POCKET1 PSILO 31 +;Pocket 1 in Model 1 Assembly 1 (Ligand 1A_0X2_1206 ) (Entity 5) R64Site 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 +; +FAMILY1 PSILO 42 +;Family-inferred pocket 1 R64Site 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 +; + +loop_ +_struct_site_gen.id +_struct_site_gen.site_id +_struct_site_gen.pdbx_num_res +_struct_site_gen.label_comp_id +_struct_site_gen.label_asym_id +_struct_site_gen.label_seq_id +_struct_site_gen.auth_comp_id +_struct_site_gen.auth_asym_id +_struct_site_gen.auth_seq_id +_struct_site_gen.symmetry +1 AC1 2 HIS A 112 HIS A 993 1_555 +2 AC1 2 SER A 113 SER A 994 1_555 +3 AC2 7 ARG A 175 ARG A 1056 8_545 +4 AC2 7 ARG A 255 ARG A 1136 1_555 +5 AC2 7 CYS A 261 CYS A 1142 1_555 +6 AC2 7 TYR A 264 TYR A 1145 1_555 +7 AC2 7 HIS A 265 HIS A 1146 1_555 +8 AC2 7 HOH H 20 HOH A 1320 1_555 +9 AC2 7 HOH H 70 HOH A 1370 1_555 +10 AC3 4 ARG A 141 ARG A 1022 1_555 +11 AC3 4 TYR A 174 TYR A 1055 1_555 +12 AC3 4 ARG A 177 ARG A 1058 1_555 +13 AC3 4 GLU A 178 GLU A 1059 1_555 +14 AC4 3 ARG A 146 ARG A 1027 1_555 +15 AC4 3 TRP A 186 TRP A 1067 1_555 +16 AC4 3 HOH H 26 HOH A 1326 1_555 +17 AC5 5 GLN A 65 GLN A 946 1_555 +18 AC5 5 LYS A 165 LYS A 1046 1_555 +19 AC5 5 TYR A 174 TYR A 1055 1_555 +20 AC5 5 ARG A 177 ARG A 1058 1_555 +21 AC5 5 LYS A 258 LYS A 1139 1_445 +22 AC6 13 LEU A 22 LEU A 903 1_555 +23 AC6 13 GLY A 23 GLY A 904 1_555 +24 AC6 13 GLU A 24 GLU A 905 1_555 +25 AC6 13 GLY A 25 GLY A 906 1_555 +26 AC6 13 VAL A 30 VAL A 911 1_555 +27 AC6 13 ALA A 47 ALA A 928 1_555 +28 AC6 13 GLU A 98 GLU A 979 1_555 +29 AC6 13 TYR A 99 TYR A 980 1_555 +30 AC6 13 VAL A 100 VAL A 981 1_555 +31 AC6 13 ARG A 146 ARG A 1027 1_555 +32 AC6 13 ASN A 147 ASN A 1028 1_555 +33 AC6 13 LEU A 149 LEU A 1030 1_555 +34 AC6 13 HOH H 78 HOH A 1378 1_555 +35 KIN-GLOOPA 9 LEU A 22 LEU A 903 1_555 +36 KIN-GLOOPA 9 GLY A 23 GLY A 904 1_555 +37 KIN-GLOOPA 9 GLU A 24 GLU A 905 1_555 +38 KIN-GLOOPA 9 GLY A 25 GLY A 906 1_555 +39 KIN-GLOOPA 9 HIS A 26 HIS A 907 1_555 +40 KIN-GLOOPA 9 PHE A 27 PHE A 908 1_555 +41 KIN-GLOOPA 9 GLY A 28 GLY A 909 1_555 +42 KIN-GLOOPA 9 LYS A 29 LYS A 910 1_555 +43 KIN-GLOOPA 9 VAL A 30 VAL A 911 1_555 +44 KIN-K72A 3 ALA A 47 ALA A 928 1_555 +45 KIN-K72A 3 VAL A 48 VAL A 929 1_555 +46 KIN-K72A 3 LYS A 49 LYS A 930 1_555 +47 KIN-GATEA 1 MET A 97 MET A 978 1_555 +48 KIN-HINGEA 7 GLU A 98 GLU A 979 1_555 +49 KIN-HINGEA 7 TYR A 99 TYR A 980 1_555 +50 KIN-HINGEA 7 VAL A 100 VAL A 981 1_555 +51 KIN-HINGEA 7 PRO A 101 PRO A 982 1_555 +52 KIN-HINGEA 7 LEU A 102 LEU A 983 1_555 +53 KIN-HINGEA 7 GLY A 103 GLY A 984 1_555 +54 KIN-HINGEA 7 SER A 104 SER A 985 1_555 +55 KIN-HRDA 10 HIS A 140 HIS A 1021 1_555 +56 KIN-HRDA 10 ARG A 141 ARG A 1022 1_555 +57 KIN-HRDA 10 ASN A 142 ASN A 1023 1_555 +58 KIN-HRDA 10 LEU A 143 LEU A 1024 1_555 +59 KIN-HRDA 10 ALA A 144 ALA A 1025 1_555 +60 KIN-HRDA 10 ALA A 145 ALA A 1026 1_555 +61 KIN-HRDA 10 ARG A 146 ARG A 1027 1_555 +62 KIN-HRDA 10 ASN A 147 ASN A 1028 1_555 +63 KIN-HRDA 10 VAL A 148 VAL A 1029 1_555 +64 KIN-HRDA 10 LEU A 149 LEU A 1030 1_555 +65 KIN-DFGA 4 GLY A 159 GLY A 1040 1_555 +66 KIN-DFGA 4 ASP A 160 ASP A 1041 1_555 +67 KIN-DFGA 4 PHE A 161 PHE A 1042 1_555 +68 KIN-DFGA 4 GLY A 162 GLY A 1043 1_555 +69 LIGANDRECEPTOR1 18 LEU A 22 LEU A 903 1_555 +70 LIGANDRECEPTOR1 18 GLY A 23 GLY A 904 1_555 +71 LIGANDRECEPTOR1 18 GLU A 24 GLU A 905 1_555 +72 LIGANDRECEPTOR1 18 GLY A 25 GLY A 906 1_555 +73 LIGANDRECEPTOR1 18 VAL A 30 VAL A 911 1_555 +74 LIGANDRECEPTOR1 18 ALA A 47 ALA A 928 1_555 +75 LIGANDRECEPTOR1 18 ILE A 79 ILE A 960 1_555 +76 LIGANDRECEPTOR1 18 MET A 97 MET A 978 1_555 +77 LIGANDRECEPTOR1 18 GLU A 98 GLU A 979 1_555 +78 LIGANDRECEPTOR1 18 TYR A 99 TYR A 980 1_555 +79 LIGANDRECEPTOR1 18 VAL A 100 VAL A 981 1_555 +80 LIGANDRECEPTOR1 18 ARG A 146 ARG A 1027 1_555 +81 LIGANDRECEPTOR1 18 ASN A 147 ASN A 1028 1_555 +82 LIGANDRECEPTOR1 18 LEU A 149 LEU A 1030 1_555 +83 LIGANDRECEPTOR1 18 GLY A 159 GLY A 1040 1_555 +84 LIGANDRECEPTOR1 18 ASP A 160 ASP A 1041 1_555 +85 LIGANDRECEPTOR1 18 HOH H 18 HOH A 1318 1_555 +86 LIGANDRECEPTOR1 18 HOH H 78 HOH A 1378 1_555 +87 POCKET1 31 ARG A 20 ARG A 901 'BIOMT operator 1' +88 POCKET1 31 ASP A 21 ASP A 902 'BIOMT operator 1' +89 POCKET1 31 LEU A 22 LEU A 903 'BIOMT operator 1' +90 POCKET1 31 GLY A 23 GLY A 904 'BIOMT operator 1' +91 POCKET1 31 GLU A 24 GLU A 905 'BIOMT operator 1' +92 POCKET1 31 GLY A 25 GLY A 906 'BIOMT operator 1' +93 POCKET1 31 VAL A 30 VAL A 911 'BIOMT operator 1' +94 POCKET1 31 ALA A 47 ALA A 928 'BIOMT operator 1' +95 POCKET1 31 LYS A 49 LYS A 930 'BIOMT operator 1' +96 POCKET1 31 GLU A 66 GLU A 947 'BIOMT operator 1' +97 POCKET1 31 LEU A 70 LEU A 951 'BIOMT operator 1' +98 POCKET1 31 ILE A 79 ILE A 960 'BIOMT operator 1' +99 POCKET1 31 LEU A 95 LEU A 976 'BIOMT operator 1' +100 POCKET1 31 MET A 97 MET A 978 'BIOMT operator 1' +101 POCKET1 31 GLU A 98 GLU A 979 'BIOMT operator 1' +102 POCKET1 31 TYR A 99 TYR A 980 'BIOMT operator 1' +103 POCKET1 31 VAL A 100 VAL A 981 'BIOMT operator 1' +104 POCKET1 31 PRO A 101 PRO A 982 'BIOMT operator 1' +105 POCKET1 31 LEU A 102 LEU A 983 'BIOMT operator 1' +106 POCKET1 31 GLY A 103 GLY A 984 'BIOMT operator 1' +107 POCKET1 31 SER A 104 SER A 985 'BIOMT operator 1' +108 POCKET1 31 ARG A 106 ARG A 987 'BIOMT operator 1' +109 POCKET1 31 ASP A 107 ASP A 988 'BIOMT operator 1' +110 POCKET1 31 TYR A 108 TYR A 989 'BIOMT operator 1' +111 POCKET1 31 ARG A 111 ARG A 992 'BIOMT operator 1' +112 POCKET1 31 ARG A 146 ARG A 1027 'BIOMT operator 1' +113 POCKET1 31 ASN A 147 ASN A 1028 'BIOMT operator 1' +114 POCKET1 31 LEU A 149 LEU A 1030 'BIOMT operator 1' +115 POCKET1 31 GLY A 159 GLY A 1040 'BIOMT operator 1' +116 POCKET1 31 ASP A 160 ASP A 1041 'BIOMT operator 1' +117 POCKET1 31 PHE A 161 PHE A 1042 'BIOMT operator 1' +118 FAMILY1 42 ARG A 20 ARG A 901 1_555 +119 FAMILY1 42 ASP A 21 ASP A 902 1_555 +120 FAMILY1 42 LEU A 22 LEU A 903 1_555 +121 FAMILY1 42 GLY A 23 GLY A 904 1_555 +122 FAMILY1 42 GLU A 24 GLU A 905 1_555 +123 FAMILY1 42 GLY A 25 GLY A 906 1_555 +124 FAMILY1 42 HIS A 26 HIS A 907 1_555 +125 FAMILY1 42 PHE A 27 PHE A 908 1_555 +126 FAMILY1 42 GLY A 28 GLY A 909 1_555 +127 FAMILY1 42 LYS A 29 LYS A 910 1_555 +128 FAMILY1 42 VAL A 30 VAL A 911 1_555 +129 FAMILY1 42 SER A 31 SER A 912 1_555 +130 FAMILY1 42 LEU A 32 LEU A 913 1_555 +131 FAMILY1 42 ALA A 47 ALA A 928 1_555 +132 FAMILY1 42 VAL A 48 VAL A 929 1_555 +133 FAMILY1 42 LYS A 49 LYS A 930 1_555 +134 FAMILY1 42 ALA A 50 ALA A 931 1_555 +135 FAMILY1 42 TRP A 63 TRP A 944 1_555 +136 FAMILY1 42 GLU A 66 GLU A 947 1_555 +137 FAMILY1 42 LEU A 70 LEU A 951 1_555 +138 FAMILY1 42 ILE A 79 ILE A 960 1_555 +139 FAMILY1 42 LEU A 95 LEU A 976 1_555 +140 FAMILY1 42 VAL A 96 VAL A 977 1_555 +141 FAMILY1 42 MET A 97 MET A 978 1_555 +142 FAMILY1 42 GLU A 98 GLU A 979 1_555 +143 FAMILY1 42 TYR A 99 TYR A 980 1_555 +144 FAMILY1 42 VAL A 100 VAL A 981 1_555 +145 FAMILY1 42 PRO A 101 PRO A 982 1_555 +146 FAMILY1 42 LEU A 102 LEU A 983 1_555 +147 FAMILY1 42 GLY A 103 GLY A 984 1_555 +148 FAMILY1 42 SER A 104 SER A 985 1_555 +149 FAMILY1 42 ASP A 107 ASP A 988 1_555 +150 FAMILY1 42 ARG A 111 ARG A 992 1_555 +151 FAMILY1 42 ASN A 142 ASN A 1023 1_555 +152 FAMILY1 42 ARG A 146 ARG A 1027 1_555 +153 FAMILY1 42 ASN A 147 ASN A 1028 1_555 +154 FAMILY1 42 VAL A 148 VAL A 1029 1_555 +155 FAMILY1 42 LEU A 149 LEU A 1030 1_555 +156 FAMILY1 42 GLY A 159 GLY A 1040 1_555 +157 FAMILY1 42 ASP A 160 ASP A 1041 1_555 +158 FAMILY1 42 PHE A 161 PHE A 1042 1_555 +159 FAMILY1 42 GLY A 162 GLY A 1043 1_555 + +_database_pdb_matrix.entry_id pdb_00004gfo +_database_pdb_matrix.origx11 1.000000 +_database_pdb_matrix.origx12 0.000000 +_database_pdb_matrix.origx13 0.000000 +_database_pdb_matrix.origx21 0.000000 +_database_pdb_matrix.origx22 1.000000 +_database_pdb_matrix.origx23 0.000000 +_database_pdb_matrix.origx31 0.000000 +_database_pdb_matrix.origx32 0.000000 +_database_pdb_matrix.origx33 1.000000 +_database_pdb_matrix.origx_vector1 0.00000 +_database_pdb_matrix.origx_vector2 0.00000 +_database_pdb_matrix.origx_vector3 0.00000 + +loop_ +_atom_type.symbol +C +CL +N +O +S + +loop_ +_pdbx_poly_seq_scheme.asym_id +_pdbx_poly_seq_scheme.entity_id +_pdbx_poly_seq_scheme.mon_id +_pdbx_poly_seq_scheme.seq_id +_pdbx_poly_seq_scheme.ndb_seq_num +_pdbx_poly_seq_scheme.pdb_seq_num +_pdbx_poly_seq_scheme.auth_seq_num +_pdbx_poly_seq_scheme.pdb_mon_id +_pdbx_poly_seq_scheme.auth_mon_id +_pdbx_poly_seq_scheme.pdb_strand_id +_pdbx_poly_seq_scheme.hetero +A 1 MET 1 1 882 ? ? ? A n +A 1 GLY 2 2 883 ? ? ? A n +A 1 SER 3 3 884 ? ? ? A n +A 1 PRO 4 4 885 ? ? ? A n +A 1 ALA 5 5 886 ? ? ? A n +A 1 SER 6 6 887 ? ? ? A n +A 1 ASP 7 7 888 ? ? ? A n +A 1 PRO 8 8 889 ? ? ? A n +A 1 THR 9 9 890 890 THR THR A n +A 1 VAL 10 10 891 891 VAL VAL A n +A 1 PHE 11 11 892 892 PHE PHE A n +A 1 HIS 12 12 893 893 HIS HIS A n +A 1 LYS 13 13 894 894 LYS LYS A n +A 1 ARG 14 14 895 895 ARG ARG A n +A 1 TYR 15 15 896 896 TYR TYR A n +A 1 LEU 16 16 897 897 LEU LEU A n +A 1 LYS 17 17 898 898 LYS LYS A n +A 1 LYS 18 18 899 899 LYS LYS A n +A 1 ILE 19 19 900 900 ILE ILE A n +A 1 ARG 20 20 901 901 ARG ARG A n +A 1 ASP 21 21 902 902 ASP ASP A n +A 1 LEU 22 22 903 903 LEU LEU A n +A 1 GLY 23 23 904 904 GLY GLY A n +A 1 GLU 24 24 905 905 GLU GLU A n +A 1 GLY 25 25 906 906 GLY GLY A n +A 1 HIS 26 26 907 907 HIS HIS A n +A 1 PHE 27 27 908 908 PHE PHE A n +A 1 GLY 28 28 909 909 GLY GLY A n +A 1 LYS 29 29 910 910 LYS LYS A n +A 1 VAL 30 30 911 911 VAL VAL A n +A 1 SER 31 31 912 912 SER SER A n +A 1 LEU 32 32 913 913 LEU LEU A n +A 1 TYR 33 33 914 914 TYR TYR A n +A 1 CYS 34 34 915 915 CYS CYS A n +A 1 TYR 35 35 916 916 TYR TYR A n +A 1 ASP 36 36 917 917 ASP ASP A n +A 1 PRO 37 37 918 918 PRO PRO A n +A 1 THR 38 38 919 919 THR THR A n +A 1 ASN 39 39 920 920 ASN ASN A n +A 1 ASP 40 40 921 921 ASP ASP A n +A 1 GLY 41 41 922 922 GLY GLY A n +A 1 THR 42 42 923 923 THR THR A n +A 1 GLY 43 43 924 924 GLY GLY A n +A 1 GLU 44 44 925 925 GLU GLU A n +A 1 MET 45 45 926 926 MET MET A n +A 1 VAL 46 46 927 927 VAL VAL A n +A 1 ALA 47 47 928 928 ALA ALA A n +A 1 VAL 48 48 929 929 VAL VAL A n +A 1 LYS 49 49 930 930 LYS LYS A n +A 1 ALA 50 50 931 931 ALA ALA A n +A 1 LEU 51 51 932 932 LEU LEU A n +A 1 LYS 52 52 933 ? ? ? A n +A 1 ALA 53 53 934 ? ? ? A n +A 1 ASP 54 54 935 ? ? ? A n +A 1 CYS 55 55 936 ? ? ? A n +A 1 GLY 56 56 937 ? ? ? A n +A 1 PRO 57 57 938 ? ? ? A n +A 1 GLN 58 58 939 ? ? ? A n +A 1 HIS 59 59 940 ? ? ? A n +A 1 ARG 60 60 941 ? ? ? A n +A 1 SER 61 61 942 ? ? ? A n +A 1 GLY 62 62 943 ? ? ? A n +A 1 TRP 63 63 944 944 TRP TRP A n +A 1 LYS 64 64 945 945 LYS LYS A n +A 1 GLN 65 65 946 946 GLN GLN A n +A 1 GLU 66 66 947 947 GLU GLU A n +A 1 ILE 67 67 948 948 ILE ILE A n +A 1 ASP 68 68 949 949 ASP ASP A n +A 1 ILE 69 69 950 950 ILE ILE A n +A 1 LEU 70 70 951 951 LEU LEU A n +A 1 ARG 71 71 952 952 ARG ARG A n +A 1 THR 72 72 953 953 THR THR A n +A 1 LEU 73 73 954 954 LEU LEU A n +A 1 TYR 74 74 955 955 TYR TYR A n +A 1 HIS 75 75 956 956 HIS HIS A n +A 1 GLU 76 76 957 957 GLU GLU A n +A 1 HIS 77 77 958 958 HIS HIS A n +A 1 ILE 78 78 959 959 ILE ILE A n +A 1 ILE 79 79 960 960 ILE ILE A n +A 1 LYS 80 80 961 961 LYS LYS A n +A 1 TYR 81 81 962 962 TYR TYR A n +A 1 LYS 82 82 963 963 LYS LYS A n +A 1 GLY 83 83 964 964 GLY GLY A n +A 1 CYS 84 84 965 965 CYS CYS A n +A 1 CYS 85 85 966 966 CYS CYS A n +A 1 GLU 86 86 967 967 GLU GLU A n +A 1 ASP 87 87 968 ? ? ? A n +A 1 GLN 88 88 969 ? ? ? A n +A 1 GLY 89 89 970 ? ? ? A n +A 1 GLU 90 90 971 ? ? ? A n +A 1 LYS 91 91 972 ? ? ? A n +A 1 SER 92 92 973 ? ? ? A n +A 1 LEU 93 93 974 974 LEU LEU A n +A 1 GLN 94 94 975 975 GLN GLN A n +A 1 LEU 95 95 976 976 LEU LEU A n +A 1 VAL 96 96 977 977 VAL VAL A n +A 1 MET 97 97 978 978 MET MET A n +A 1 GLU 98 98 979 979 GLU GLU A n +A 1 TYR 99 99 980 980 TYR TYR A n +A 1 VAL 100 100 981 981 VAL VAL A n +A 1 PRO 101 101 982 982 PRO PRO A n +A 1 LEU 102 102 983 983 LEU LEU A n +A 1 GLY 103 103 984 984 GLY GLY A n +A 1 SER 104 104 985 985 SER SER A n +A 1 LEU 105 105 986 986 LEU LEU A n +A 1 ARG 106 106 987 987 ARG ARG A n +A 1 ASP 107 107 988 988 ASP ASP A n +A 1 TYR 108 108 989 989 TYR TYR A n +A 1 LEU 109 109 990 990 LEU LEU A n +A 1 PRO 110 110 991 991 PRO PRO A n +A 1 ARG 111 111 992 992 ARG ARG A n +A 1 HIS 112 112 993 993 HIS HIS A n +A 1 SER 113 113 994 994 SER SER A n +A 1 ILE 114 114 995 995 ILE ILE A n +A 1 GLY 115 115 996 996 GLY GLY A n +A 1 LEU 116 116 997 997 LEU LEU A n +A 1 ALA 117 117 998 998 ALA ALA A n +A 1 GLN 118 118 999 999 GLN GLN A n +A 1 LEU 119 119 1000 1000 LEU LEU A n +A 1 LEU 120 120 1001 1001 LEU LEU A n +A 1 LEU 121 121 1002 1002 LEU LEU A n +A 1 PHE 122 122 1003 1003 PHE PHE A n +A 1 ALA 123 123 1004 1004 ALA ALA A n +A 1 GLN 124 124 1005 1005 GLN GLN A n +A 1 GLN 125 125 1006 1006 GLN GLN A n +A 1 ILE 126 126 1007 1007 ILE ILE A n +A 1 CYS 127 127 1008 1008 CYS CYS A n +A 1 GLU 128 128 1009 1009 GLU GLU A n +A 1 GLY 129 129 1010 1010 GLY GLY A n +A 1 MET 130 130 1011 1011 MET MET A n +A 1 ALA 131 131 1012 1012 ALA ALA A n +A 1 TYR 132 132 1013 1013 TYR TYR A n +A 1 LEU 133 133 1014 1014 LEU LEU A n +A 1 HIS 134 134 1015 1015 HIS HIS A n +A 1 SER 135 135 1016 1016 SER SER A n +A 1 GLN 136 136 1017 1017 GLN GLN A n +A 1 HIS 137 137 1018 1018 HIS HIS A n +A 1 TYR 138 138 1019 1019 TYR TYR A n +A 1 ILE 139 139 1020 1020 ILE ILE A n +A 1 HIS 140 140 1021 1021 HIS HIS A n +A 1 ARG 141 141 1022 1022 ARG ARG A n +A 1 ASN 142 142 1023 1023 ASN ASN A n +A 1 LEU 143 143 1024 1024 LEU LEU A n +A 1 ALA 144 144 1025 1025 ALA ALA A n +A 1 ALA 145 145 1026 1026 ALA ALA A n +A 1 ARG 146 146 1027 1027 ARG ARG A n +A 1 ASN 147 147 1028 1028 ASN ASN A n +A 1 VAL 148 148 1029 1029 VAL VAL A n +A 1 LEU 149 149 1030 1030 LEU LEU A n +A 1 LEU 150 150 1031 1031 LEU LEU A n +A 1 ASP 151 151 1032 1032 ASP ASP A n +A 1 ASN 152 152 1033 1033 ASN ASN A n +A 1 ASP 153 153 1034 1034 ASP ASP A n +A 1 ARG 154 154 1035 1035 ARG ARG A n +A 1 LEU 155 155 1036 1036 LEU LEU A n +A 1 VAL 156 156 1037 1037 VAL VAL A n +A 1 LYS 157 157 1038 1038 LYS LYS A n +A 1 ILE 158 158 1039 1039 ILE ILE A n +A 1 GLY 159 159 1040 1040 GLY GLY A n +A 1 ASP 160 160 1041 1041 ASP ASP A n +A 1 PHE 161 161 1042 1042 PHE PHE A n +A 1 GLY 162 162 1043 1043 GLY GLY A n +A 1 LEU 163 163 1044 1044 LEU LEU A n +A 1 ALA 164 164 1045 1045 ALA ALA A n +A 1 LYS 165 165 1046 1046 LYS LYS A n +A 1 ALA 166 166 1047 1047 ALA ALA A n +A 1 VAL 167 167 1048 1048 VAL VAL A n +A 1 PRO 168 168 1049 1049 PRO PRO A n +A 1 GLU 169 169 1050 1050 GLU GLU A n +A 1 GLY 170 170 1051 1051 GLY GLY A n +A 1 HIS 171 171 1052 1052 HIS HIS A n +A 1 GLU 172 172 1053 1053 GLU GLU A n +A 1 TYR 173 173 1054 1054 TYR TYR A n +A 1 TYR 174 174 1055 1055 TYR TYR A n +A 1 ARG 175 175 1056 1056 ARG ARG A n +A 1 VAL 176 176 1057 1057 VAL VAL A n +A 1 ARG 177 177 1058 1058 ARG ARG A n +A 1 GLU 178 178 1059 1059 GLU GLU A n +A 1 ASP 179 179 1060 1060 ASP ASP A n +A 1 GLY 180 180 1061 1061 GLY GLY A n +A 1 ASP 181 181 1062 1062 ASP ASP A n +A 1 SER 182 182 1063 1063 SER SER A n +A 1 PRO 183 183 1064 1064 PRO PRO A n +A 1 VAL 184 184 1065 1065 VAL VAL A n +A 1 PHE 185 185 1066 1066 PHE PHE A n +A 1 TRP 186 186 1067 1067 TRP TRP A n +A 1 TYR 187 187 1068 1068 TYR TYR A n +A 1 ALA 188 188 1069 1069 ALA ALA A n +A 1 PRO 189 189 1070 1070 PRO PRO A n +A 1 GLU 190 190 1071 1071 GLU GLU A n +A 1 CYS 191 191 1072 1072 CYS CYS A n +A 1 LEU 192 192 1073 1073 LEU LEU A n +A 1 LYS 193 193 1074 1074 LYS LYS A n +A 1 GLU 194 194 1075 1075 GLU GLU A n +A 1 TYR 195 195 1076 1076 TYR TYR A n +A 1 LYS 196 196 1077 1077 LYS LYS A n +A 1 PHE 197 197 1078 1078 PHE PHE A n +A 1 TYR 198 198 1079 1079 TYR TYR A n +A 1 TYR 199 199 1080 1080 TYR TYR A n +A 1 ALA 200 200 1081 1081 ALA ALA A n +A 1 SER 201 201 1082 1082 SER SER A n +A 1 ASP 202 202 1083 1083 ASP ASP A n +A 1 VAL 203 203 1084 1084 VAL VAL A n +A 1 TRP 204 204 1085 1085 TRP TRP A n +A 1 SER 205 205 1086 1086 SER SER A n +A 1 PHE 206 206 1087 1087 PHE PHE A n +A 1 GLY 207 207 1088 1088 GLY GLY A n +A 1 VAL 208 208 1089 1089 VAL VAL A n +A 1 THR 209 209 1090 1090 THR THR A n +A 1 LEU 210 210 1091 1091 LEU LEU A n +A 1 TYR 211 211 1092 1092 TYR TYR A n +A 1 GLU 212 212 1093 1093 GLU GLU A n +A 1 LEU 213 213 1094 1094 LEU LEU A n +A 1 LEU 214 214 1095 1095 LEU LEU A n +A 1 THR 215 215 1096 1096 THR THR A n +A 1 HIS 216 216 1097 1097 HIS HIS A n +A 1 CYS 217 217 1098 1098 CYS CYS A n +A 1 ASP 218 218 1099 1099 ASP ASP A n +A 1 SER 219 219 1100 1100 SER SER A n +A 1 SER 220 220 1101 1101 SER SER A n +A 1 GLN 221 221 1102 1102 GLN GLN A n +A 1 SER 222 222 1103 1103 SER SER A n +A 1 PRO 223 223 1104 1104 PRO PRO A n +A 1 PRO 224 224 1105 1105 PRO PRO A n +A 1 THR 225 225 1106 1106 THR THR A n +A 1 LYS 226 226 1107 1107 LYS LYS A n +A 1 PHE 227 227 1108 1108 PHE PHE A n +A 1 LEU 228 228 1109 1109 LEU LEU A n +A 1 GLU 229 229 1110 1110 GLU GLU A n +A 1 LEU 230 230 1111 1111 LEU LEU A n +A 1 ILE 231 231 1112 1112 ILE ILE A n +A 1 GLY 232 232 1113 1113 GLY GLY A n +A 1 ILE 233 233 1114 1114 ILE ILE A n +A 1 ALA 234 234 1115 1115 ALA ALA A n +A 1 GLN 235 235 1116 1116 GLN GLN A n +A 1 GLY 236 236 1117 1117 GLY GLY A n +A 1 GLN 237 237 1118 1118 GLN GLN A n +A 1 MET 238 238 1119 1119 MET MET A n +A 1 THR 239 239 1120 1120 THR THR A n +A 1 VAL 240 240 1121 1121 VAL VAL A n +A 1 LEU 241 241 1122 1122 LEU LEU A n +A 1 ARG 242 242 1123 1123 ARG ARG A n +A 1 LEU 243 243 1124 1124 LEU LEU A n +A 1 THR 244 244 1125 1125 THR THR A n +A 1 GLU 245 245 1126 1126 GLU GLU A n +A 1 LEU 246 246 1127 1127 LEU LEU A n +A 1 LEU 247 247 1128 1128 LEU LEU A n +A 1 GLU 248 248 1129 1129 GLU GLU A n +A 1 ARG 249 249 1130 1130 ARG ARG A n +A 1 GLY 250 250 1131 1131 GLY GLY A n +A 1 GLU 251 251 1132 1132 GLU GLU A n +A 1 ARG 252 252 1133 1133 ARG ARG A n +A 1 LEU 253 253 1134 1134 LEU LEU A n +A 1 PRO 254 254 1135 1135 PRO PRO A n +A 1 ARG 255 255 1136 1136 ARG ARG A n +A 1 PRO 256 256 1137 1137 PRO PRO A n +A 1 ASP 257 257 1138 1138 ASP ASP A n +A 1 LYS 258 258 1139 1139 LYS LYS A n +A 1 CYS 259 259 1140 1140 CYS CYS A n +A 1 PRO 260 260 1141 1141 PRO PRO A n +A 1 CYS 261 261 1142 1142 CYS CYS A n +A 1 GLU 262 262 1143 1143 GLU GLU A n +A 1 VAL 263 263 1144 1144 VAL VAL A n +A 1 TYR 264 264 1145 1145 TYR TYR A n +A 1 HIS 265 265 1146 1146 HIS HIS A n +A 1 LEU 266 266 1147 1147 LEU LEU A n +A 1 MET 267 267 1148 1148 MET MET A n +A 1 LYS 268 268 1149 1149 LYS LYS A n +A 1 ASN 269 269 1150 1150 ASN ASN A n +A 1 CYS 270 270 1151 1151 CYS CYS A n +A 1 TRP 271 271 1152 1152 TRP TRP A n +A 1 GLU 272 272 1153 1153 GLU GLU A n +A 1 THR 273 273 1154 1154 THR THR A n +A 1 GLU 274 274 1155 1155 GLU GLU A n +A 1 ALA 275 275 1156 1156 ALA ALA A n +A 1 SER 276 276 1157 1157 SER SER A n +A 1 PHE 277 277 1158 1158 PHE PHE A n +A 1 ARG 278 278 1159 1159 ARG ARG A n +A 1 PRO 279 279 1160 1160 PRO PRO A n +A 1 THR 280 280 1161 1161 THR THR A n +A 1 PHE 281 281 1162 1162 PHE PHE A n +A 1 GLU 282 282 1163 1163 GLU GLU A n +A 1 ASN 283 283 1164 1164 ASN ASN A n +A 1 LEU 284 284 1165 1165 LEU LEU A n +A 1 ILE 285 285 1166 1166 ILE ILE A n +A 1 PRO 286 286 1167 1167 PRO PRO A n +A 1 ILE 287 287 1168 1168 ILE ILE A n +A 1 LEU 288 288 1169 1169 LEU LEU A n +A 1 LYS 289 289 1170 1170 LYS LYS A n +A 1 THR 290 290 1171 1171 THR THR A n +A 1 VAL 291 291 1172 1172 VAL VAL A n +A 1 HIS 292 292 1173 1173 HIS HIS A n +A 1 GLU 293 293 1174 1174 GLU GLU A n +A 1 LYS 294 294 1175 1175 LYS LYS A n +A 1 TYR 295 295 1176 1176 TYR TYR A n +A 1 ARG 296 296 1177 1177 ARG ARG A n +A 1 HIS 297 297 1178 1178 HIS HIS A n +A 1 HIS 298 298 1179 ? ? ? A n +A 1 HIS 299 299 1180 ? ? ? A n +A 1 HIS 300 300 1181 ? ? ? A n +A 1 HIS 301 301 1182 ? ? ? A n +A 1 HIS 302 302 1183 ? ? ? A n + +_pdbx_struct_assembly.id 1 +_pdbx_struct_assembly.details author_and_software_defined_assembly +_pdbx_struct_assembly.method_details PISA +_pdbx_struct_assembly.oligomeric_details monomeric +_pdbx_struct_assembly.oligomeric_count 1 + +_pdbx_struct_assembly_gen.assembly_id 1 +_pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H +_pdbx_struct_assembly_gen.oper_expression 1 +_pdbx_struct_assembly_gen.auth_asym_id_list A + +_pdbx_struct_oper_list.id 1 +_pdbx_struct_oper_list.type 'identity operation' +_pdbx_struct_oper_list.name 1_555 +_pdbx_struct_oper_list.symmetry_operation x,y,z +_pdbx_struct_oper_list.matrix11 1.000000 +_pdbx_struct_oper_list.matrix12 0.000000 +_pdbx_struct_oper_list.matrix13 0.000000 +_pdbx_struct_oper_list.vector1 0.00000 +_pdbx_struct_oper_list.matrix21 0.000000 +_pdbx_struct_oper_list.matrix22 1.000000 +_pdbx_struct_oper_list.matrix23 0.000000 +_pdbx_struct_oper_list.vector2 0.00000 +_pdbx_struct_oper_list.matrix31 0.000000 +_pdbx_struct_oper_list.matrix32 0.000000 +_pdbx_struct_oper_list.matrix33 1.000000 +_pdbx_struct_oper_list.vector3 0.00000 + +loop_ +_pdbx_audit_revision_history.data_content_type +_pdbx_audit_revision_history.ordinal +_pdbx_audit_revision_history.major_revision +_pdbx_audit_revision_history.minor_revision +_pdbx_audit_revision_history.revision_date +'Structure model' 1 1 0 2013-06-19 +'Structure model' 2 1 1 2013-08-07 + +_pdbx_audit_revision_details.data_content_type 'Structure model' +_pdbx_audit_revision_details.ordinal 1 +_pdbx_audit_revision_details.revision_ordinal 1 +_pdbx_audit_revision_details.provider repository +_pdbx_audit_revision_details.type 'Initial release' + +_pdbx_audit_revision_group.data_content_type 'Structure model' +_pdbx_audit_revision_group.ordinal 1 +_pdbx_audit_revision_group.revision_ordinal 2 +_pdbx_audit_revision_group.group 'Database references' + +loop_ +_pdbx_refine_tls.id +_pdbx_refine_tls.pdbx_refine_id +_pdbx_refine_tls.method +_pdbx_refine_tls.origin_x +_pdbx_refine_tls.origin_y +_pdbx_refine_tls.origin_z +_pdbx_refine_tls.t11 +_pdbx_refine_tls.t22 +_pdbx_refine_tls.t33 +_pdbx_refine_tls.t12 +_pdbx_refine_tls.t13 +_pdbx_refine_tls.t23 +_pdbx_refine_tls.l11 +_pdbx_refine_tls.l22 +_pdbx_refine_tls.l33 +_pdbx_refine_tls.l12 +_pdbx_refine_tls.l13 +_pdbx_refine_tls.l23 +_pdbx_refine_tls.s11 +_pdbx_refine_tls.s12 +_pdbx_refine_tls.s13 +_pdbx_refine_tls.s21 +_pdbx_refine_tls.s22 +_pdbx_refine_tls.s23 +_pdbx_refine_tls.s31 +_pdbx_refine_tls.s32 +_pdbx_refine_tls.s33 +1 'X-RAY DIFFRACTION' refined 9.3855 -19.6200 30.8899 0.107 0.414 -0.148 0.038 0.098 -0.032 5.321 0.997 2.465 -2.076 0.121 1.026 -0.243 -0.093 -0.167 0.268 0.112 0.109 0.034 -0.609 0.131 +2 'X-RAY DIFFRACTION' refined 25.0262 -16.2601 11.1270 -0.102 0.158 -0.081 0.079 -0.024 -0.077 1.773 0.417 3.482 -0.369 1.337 -0.152 -0.319 -0.311 0.107 0.039 0.138 -0.058 -0.336 -0.380 0.181 + +loop_ +_pdbx_refine_tls_group.id +_pdbx_refine_tls_group.pdbx_refine_id +_pdbx_refine_tls_group.refine_tls_id +_pdbx_refine_tls_group.beg_auth_asym_id +_pdbx_refine_tls_group.beg_auth_seq_id +_pdbx_refine_tls_group.beg_label_asym_id +_pdbx_refine_tls_group.beg_label_seq_id +_pdbx_refine_tls_group.end_auth_asym_id +_pdbx_refine_tls_group.end_auth_seq_id +_pdbx_refine_tls_group.end_label_asym_id +_pdbx_refine_tls_group.end_label_seq_id +_pdbx_refine_tls_group.selection_details +_pdbx_refine_tls_group.beg_pdb_ins_code +_pdbx_refine_tls_group.end_pdb_ins_code +1 'X-RAY DIFFRACTION' 1 A 890 A 9 A 979 A 98 '{ A|890 - A|979 }' ? ? +2 'X-RAY DIFFRACTION' 2 A 980 A 99 A 1178 A 297 '{ A|980 - A|1178 A|1206 - A|1206 }' ? ? +3 'X-RAY DIFFRACTION' 2 A 1206 G 1 A 1206 G 1 '{ A|980 - A|1178 A|1206 - A|1206 }' ? ? + +loop_ +_software.pdbx_ordinal +_software.name +_software.classification +_software.version +1 Blu-Ice 'data collection' ? +2 PHASER phasing ? +3 BUSTER refinement 2.11.2 +4 HKL-2000 'data reduction' ? +5 HKL-2000 'data scaling' ? + +loop_ +_pdbx_entity_nonpoly.entity_id +_pdbx_entity_nonpoly.name +_pdbx_entity_nonpoly.comp_id +2 'SULFATE ION' SO4 +3 1,2-ETHANEDIOL EDO +4 GLYCEROL GOL +5 2,6-dichloro-N-(2-oxo-2,5-dihydropyridin-4-yl)benzamide 0X2 +6 water HOH + +loop_ +_pdbx_nonpoly_scheme.asym_id +_pdbx_nonpoly_scheme.ndb_seq_num +_pdbx_nonpoly_scheme.entity_id +_pdbx_nonpoly_scheme.mon_id +_pdbx_nonpoly_scheme.pdb_seq_num +_pdbx_nonpoly_scheme.auth_seq_num +_pdbx_nonpoly_scheme.pdb_mon_id +_pdbx_nonpoly_scheme.auth_mon_id +_pdbx_nonpoly_scheme.pdb_strand_id +B 1 2 SO4 1201 5 SO4 SO4 A +C 1 2 SO4 1202 6 SO4 SO4 A +D 1 3 EDO 1203 96 EDO EDO A +E 1 3 EDO 1204 97 EDO EDO A +F 1 4 GOL 1205 101 GOL GOL A +G 1 5 0X2 1206 1 0X2 0X2 A +H 1 6 HOH 1301 8 HOH HOH A +H 2 6 HOH 1302 9 HOH HOH A +H 3 6 HOH 1303 10 HOH HOH A +H 4 6 HOH 1304 11 HOH HOH A +H 5 6 HOH 1305 13 HOH HOH A +H 6 6 HOH 1306 14 HOH HOH A +H 7 6 HOH 1307 15 HOH HOH A +H 8 6 HOH 1308 16 HOH HOH A +H 9 6 HOH 1309 17 HOH HOH A +H 10 6 HOH 1310 18 HOH HOH A +H 11 6 HOH 1311 19 HOH HOH A +H 12 6 HOH 1312 20 HOH HOH A +H 13 6 HOH 1313 22 HOH HOH A +H 14 6 HOH 1314 23 HOH HOH A +H 15 6 HOH 1315 25 HOH HOH A +H 16 6 HOH 1316 26 HOH HOH A +H 17 6 HOH 1317 27 HOH HOH A +H 18 6 HOH 1318 28 HOH HOH A +H 19 6 HOH 1319 29 HOH HOH A +H 20 6 HOH 1320 30 HOH HOH A +H 21 6 HOH 1321 31 HOH HOH A +H 22 6 HOH 1322 32 HOH HOH A +H 23 6 HOH 1323 33 HOH HOH A +H 24 6 HOH 1324 34 HOH HOH A +H 25 6 HOH 1325 35 HOH HOH A +H 26 6 HOH 1326 36 HOH HOH A +H 27 6 HOH 1327 37 HOH HOH A +H 28 6 HOH 1328 38 HOH HOH A +H 29 6 HOH 1329 39 HOH HOH A +H 30 6 HOH 1330 40 HOH HOH A +H 31 6 HOH 1331 41 HOH HOH A +H 32 6 HOH 1332 43 HOH HOH A +H 33 6 HOH 1333 44 HOH HOH A +H 34 6 HOH 1334 45 HOH HOH A +H 35 6 HOH 1335 46 HOH HOH A +H 36 6 HOH 1336 47 HOH HOH A +H 37 6 HOH 1337 48 HOH HOH A +H 38 6 HOH 1338 49 HOH HOH A +H 39 6 HOH 1339 50 HOH HOH A +H 40 6 HOH 1340 51 HOH HOH A +H 41 6 HOH 1341 52 HOH HOH A +H 42 6 HOH 1342 53 HOH HOH A +H 43 6 HOH 1343 54 HOH HOH A +H 44 6 HOH 1344 55 HOH HOH A +H 45 6 HOH 1345 56 HOH HOH A +H 46 6 HOH 1346 58 HOH HOH A +H 47 6 HOH 1347 59 HOH HOH A +H 48 6 HOH 1348 61 HOH HOH A +H 49 6 HOH 1349 62 HOH HOH A +H 50 6 HOH 1350 63 HOH HOH A +H 51 6 HOH 1351 64 HOH HOH A +H 52 6 HOH 1352 65 HOH HOH A +H 53 6 HOH 1353 66 HOH HOH A +H 54 6 HOH 1354 67 HOH HOH A +H 55 6 HOH 1355 69 HOH HOH A +H 56 6 HOH 1356 71 HOH HOH A +H 57 6 HOH 1357 72 HOH HOH A +H 58 6 HOH 1358 73 HOH HOH A +H 59 6 HOH 1359 74 HOH HOH A +H 60 6 HOH 1360 75 HOH HOH A +H 61 6 HOH 1361 76 HOH HOH A +H 62 6 HOH 1362 78 HOH HOH A +H 63 6 HOH 1363 79 HOH HOH A +H 64 6 HOH 1364 80 HOH HOH A +H 65 6 HOH 1365 81 HOH HOH A +H 66 6 HOH 1366 82 HOH HOH A +H 67 6 HOH 1367 83 HOH HOH A +H 68 6 HOH 1368 84 HOH HOH A +H 69 6 HOH 1369 85 HOH HOH A +H 70 6 HOH 1370 86 HOH HOH A +H 71 6 HOH 1371 87 HOH HOH A +H 72 6 HOH 1372 88 HOH HOH A +H 73 6 HOH 1373 90 HOH HOH A +H 74 6 HOH 1374 91 HOH HOH A +H 75 6 HOH 1375 92 HOH HOH A +H 76 6 HOH 1376 93 HOH HOH A +H 77 6 HOH 1377 94 HOH HOH A +H 78 6 HOH 1378 95 HOH HOH A + +_pdbx_audit.entry_id pdb_00004gfo +_pdbx_audit.current_version 1 + +_atom_sites.entry_id pdb_00004gfo +_atom_sites.fract_transf_matrix11 0.020259 +_atom_sites.fract_transf_matrix12 0.011696 +_atom_sites.fract_transf_matrix13 -0.000000 +_atom_sites.fract_transf_matrix21 0.000000 +_atom_sites.fract_transf_matrix22 0.023393 +_atom_sites.fract_transf_matrix23 -0.000000 +_atom_sites.fract_transf_matrix31 0.000000 +_atom_sites.fract_transf_matrix32 0.000000 +_atom_sites.fract_transf_matrix33 0.002377 +_atom_sites.fract_transf_vector1 0.00000 +_atom_sites.fract_transf_vector2 0.00000 +_atom_sites.fract_transf_vector3 0.00000 +_atom_sites.cartn_transf_matrix11 49.361000 +_atom_sites.cartn_transf_matrix12 -24.680000 +_atom_sites.cartn_transf_matrix13 0.000000 +_atom_sites.cartn_transf_matrix21 0.000000 +_atom_sites.cartn_transf_matrix22 42.748000 +_atom_sites.cartn_transf_matrix23 0.000000 +_atom_sites.cartn_transf_matrix31 0.000000 +_atom_sites.cartn_transf_matrix32 0.000000 +_atom_sites.cartn_transf_matrix33 420.686000 +_atom_sites.cartn_transf_vector1 0.00000 +_atom_sites.cartn_transf_vector2 0.00000 +_atom_sites.cartn_transf_vector3 0.00000 + +_plop_summary.entry_id pdb_00004gfo +_plop_summary.exptype 'X-RAY DIFFRACTION' +_plop_summary.nummodels 1 +_plop_summary.resolution 2.30 +_plop_summary.entity_name_com_csv 1 +_plop_summary.dpi 0.259 +_plop_summary.dpi_formula R-Free +_plop_summary.skip_protomers 0 +_plop_summary.hetsort 0 +_plop_summary.ran_mogul 0 + +_plop_view_matrix.entry_id pdb_00004gfo +_plop_view_matrix.id 1 +_plop_view_matrix.x11 1.000000 +_plop_view_matrix.x12 0.000000 +_plop_view_matrix.x13 0.000000 +_plop_view_matrix.x21 0.000000 +_plop_view_matrix.x22 1.000000 +_plop_view_matrix.x23 0.000000 +_plop_view_matrix.x31 0.000000 +_plop_view_matrix.x32 0.000000 +_plop_view_matrix.x33 1.000000 +_plop_view_matrix.v1 0.00000 +_plop_view_matrix.v2 0.00000 +_plop_view_matrix.v3 0.00000 +_plop_view_matrix.width 10.00 +_plop_view_matrix.refsuperpose_opt ? + +_pdbx_version.entry_id pdb_00004gfo +_pdbx_version.major_version 3 +_pdbx_version.minor_version 1 +_pdbx_version.revision_type 'Initial release' +_pdbx_version.revision_date 2021-09-14 + +_struct_conn.id ? +_struct_conn.pdbx_pdb_id pdb_00004gfo +_struct_conn.conn_type_id ? +_struct_conn.ptnr1_label_asym_id ? +_struct_conn.ptnr1_label_comp_id ? +_struct_conn.ptnr1_label_seq_id ? +_struct_conn.ptnr2_label_asym_id ? +_struct_conn.ptnr2_label_comp_id ? +_struct_conn.ptnr2_label_seq_id ? + +_pdbx_audit_revision_category.data_content_type 'Structure model' +_pdbx_audit_revision_category.ordinal 0 +_pdbx_audit_revision_category.revision_ordinal ? +_pdbx_audit_revision_category.category ? + +loop_ +_entity_plop.entity_id +_entity_plop.isprimary +_entity_plop.isligand +_entity_plop.entrez_gene_id +_entity_plop.cid +_entity_plop.inchi +_entity_plop.smiles +_entity_plop.bit_maccs +_entity_plop.primary_details +1 N N 6772 ? ? ? ? ? +2 N N ? ? InChI=1/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2/fO4S/q-2 S(=O)(=O)([O-])[O-] 000000002906010008001041002088000A08820800002100 ? +3 N N ? 174 InChI=1/C2H6O2/c3-1-2-4/h3-4H,1-2H2 OCCO 0000000000800000002008000004200004060C0000002154 ? +4 N N ? 753 InChI=1/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2 OC(CO)CO 0000000000C00000302008000004200002060C0000002156 ? +5 Y Y ? ? +;InChI=1/C12H8Cl2N2O2/c13-8-2-1-3-9(14)11(8)12(18)16-7-4-5-15-10(17)6-7/h1-6H,(H2,15,16,17,18)/f/h15-16H +; +Clc1c(C(=O)NC2=CC(=O)NC=C2)c(Cl)ccc1 000000000040400004088000040911C221E1B40100007DA9 1:A_0X2_1206 +6 N N ? ? ? ? ? ? + +loop_ +_pdbx_struct_info.type +_pdbx_struct_info.value +multiple_model_flag N +multiple_model_details '1 Model' + +loop_ +_audit.revision_id +_audit.creation_date +_audit.update_record +? 2013-06-19 'Initial release' +? 2013-08-07 'Database references' + +_space_group.id 1 +_space_group.it_number 179 +_space_group.crystal_system hexagonal +_space_group.name_h-m_alt P6522 + +loop_ +_space_group_symop.id +_space_group_symop.sg_id +_space_group_symop.operation_xyz +1 1 x,y,z +2 1 x-y,x,z+5/6 +3 1 -y,x-y,z+2/3 +4 1 -x,-y,z+1/2 +5 1 -x+y,-x,z+1/3 +6 1 y,-x+y,z+1/6 +7 1 y,x,-z+2/3 +8 1 x,x-y,-z+5/6 +9 1 x-y,-y,-z +10 1 -y,-x,-z+1/6 +11 1 -x,-x+y,-z+1/3 +12 1 -x+y,y,-z+1/2 + +loop_ +_symmetry_equiv.id +_symmetry_equiv.pos_as_xyz +1 x,y,z +2 x-y,x,z+5/6 +3 -y,x-y,z+2/3 +4 -x,-y,z+1/2 +5 -x+y,-x,z+1/3 +6 y,-x+y,z+1/6 +7 y,x,-z+2/3 +8 x,x-y,-z+5/6 +9 x-y,-y,-z +10 -y,-x,-z+1/6 +11 -x,-x+y,-z+1/3 +12 -x+y,y,-z+1/2 + +loop_ +_atom_sites_alt.id +? +A +B + +_pdbx_validate_rmsd_bond.id 1 +_pdbx_validate_rmsd_bond.auth_asym_id_1 A +_pdbx_validate_rmsd_bond.auth_asym_id_2 A +_pdbx_validate_rmsd_bond.auth_comp_id_1 HIS +_pdbx_validate_rmsd_bond.auth_comp_id_2 THR +_pdbx_validate_rmsd_bond.auth_seq_id_1 1097 +_pdbx_validate_rmsd_bond.auth_seq_id_2 1096 +_pdbx_validate_rmsd_bond.auth_atom_id_1 N +_pdbx_validate_rmsd_bond.auth_atom_id_2 C +_pdbx_validate_rmsd_bond.pdb_model_num 1 +_pdbx_validate_rmsd_bond.bond_value 1.37 +_pdbx_validate_rmsd_bond.bond_deviation 4.1 +_pdbx_validate_rmsd_bond.bond_target_value 1.330 +_pdbx_validate_rmsd_bond.bond_standard_deviation 0.010 +_pdbx_validate_rmsd_bond.linker_flag Y + +loop_ +_pdbx_validate_rmsd_angle.id +_pdbx_validate_rmsd_angle.auth_asym_id_1 +_pdbx_validate_rmsd_angle.auth_asym_id_2 +_pdbx_validate_rmsd_angle.auth_asym_id_3 +_pdbx_validate_rmsd_angle.auth_comp_id_1 +_pdbx_validate_rmsd_angle.auth_comp_id_2 +_pdbx_validate_rmsd_angle.auth_comp_id_3 +_pdbx_validate_rmsd_angle.auth_seq_id_1 +_pdbx_validate_rmsd_angle.auth_seq_id_2 +_pdbx_validate_rmsd_angle.auth_seq_id_3 +_pdbx_validate_rmsd_angle.auth_atom_id_1 +_pdbx_validate_rmsd_angle.auth_atom_id_2 +_pdbx_validate_rmsd_angle.auth_atom_id_3 +_pdbx_validate_rmsd_angle.pdb_model_num +_pdbx_validate_rmsd_angle.angle_value +_pdbx_validate_rmsd_angle.angle_deviation +_pdbx_validate_rmsd_angle.angle_target_value +_pdbx_validate_rmsd_angle.angle_standard_deviation +_pdbx_validate_rmsd_angle.linker_flag +1 A A A PHE PHE HIS 908 908 907 CA N C 1 127.93 4.1 121.600 1.554 Y +2 A A A LEU LEU ALA 932 932 931 CA N C 1 129.07 4.8 121.600 1.554 Y +3 A A A PRO PRO PRO 1105 1104 1104 N C CA 1 123.12 4.0 117.900 1.299 N + +loop_ +_pdbx_validate_close_contact.id +_pdbx_validate_close_contact.auth_asym_id_1 +_pdbx_validate_close_contact.auth_asym_id_2 +_pdbx_validate_close_contact.auth_comp_id_1 +_pdbx_validate_close_contact.auth_comp_id_2 +_pdbx_validate_close_contact.auth_seq_id_1 +_pdbx_validate_close_contact.auth_seq_id_2 +_pdbx_validate_close_contact.auth_atom_id_1 +_pdbx_validate_close_contact.auth_atom_id_2 +_pdbx_validate_close_contact.pdb_model_num +_pdbx_validate_close_contact.dist +1 A A HIS HIS 907 907 N CB 1 2.47 +2 A A HIS HIS 907 907 CA CB 1 1.55 +3 A A HIS HIS 907 907 CA CG 1 2.56 +4 A A HIS HIS 907 907 C CB 1 2.59 +5 A A HIS HIS 907 907 CB CD2 1 2.65 +6 A A HIS HIS 907 907 CB CB 1 0.09 +7 A A HIS HIS 907 907 CB CG 1 1.58 +8 A A HIS HIS 907 907 CB ND1 1 2.60 +9 A A HIS HIS 907 907 CB CD2 1 2.61 +10 A A HIS HIS 907 907 CB CG 1 1.56 +11 A A HIS HIS 907 907 CB ND1 1 2.60 +12 A A HIS HIS 907 907 CG CG 1 2.61 +13 A A LEU TYR 954 955 CA N 1 2.43 +14 A A LEU TYR 954 955 C N 1 1.35 +15 A A LEU TYR 954 955 C CA 1 2.50 +16 A A TYR TYR 955 955 N N 1 0.04 +17 A A TYR TYR 955 955 N CA 1 1.46 +18 A A TYR TYR 955 955 N C 1 2.40 +19 A A TYR TYR 955 955 N CB 1 2.51 +20 A A TYR TYR 955 955 N CA 1 1.48 +21 A A TYR TYR 955 955 N C 1 2.43 +22 A A TYR TYR 955 955 N CB 1 2.49 +23 A A TYR TYR 955 955 CA O 1 2.48 +24 A A TYR TYR 955 955 CA CA 1 0.14 +25 A A TYR TYR 955 955 CA C 1 1.56 +26 A A TYR TYR 955 955 CA CG 1 2.67 +27 A A TYR TYR 955 955 CA CB 1 1.66 +28 A A TYR TYR 955 955 CA O 1 2.32 +29 A A TYR TYR 955 955 CA C 1 1.50 +30 A A TYR HIS 955 956 CA N 1 2.48 +31 A A TYR TYR 955 955 CA CB 1 1.47 +32 A A TYR TYR 955 955 CA CG 1 2.53 +33 A A TYR TYR 955 955 C O 1 1.29 +34 A A TYR TYR 955 955 C C 1 0.09 +35 A A TYR TYR 955 955 C CB 1 2.48 +36 A A TYR TYR 955 955 C O 1 1.19 +37 A A TYR HIS 955 956 C N 1 1.35 +38 A A TYR HIS 955 956 C CA 1 2.50 +39 A A TYR TYR 955 955 C CB 1 2.62 +40 A A TYR TYR 955 955 O O 1 0.19 +41 A A TYR TYR 955 955 CB CG 1 1.44 +42 A A TYR TYR 955 955 CB CD1 1 2.26 +43 A A TYR TYR 955 955 CB CD2 1 2.63 +44 A A TYR TYR 955 955 CB CB 1 0.47 +45 A A TYR TYR 955 955 CB CD1 1 2.51 +46 A A TYR TYR 955 955 CB CG 1 1.74 +47 A A TYR TYR 955 955 CG CG 1 2.47 +48 A A TYR TYR 955 955 CG CD1 1 2.56 +49 A A TYR TYR 955 955 CD1 CD2 1 2.78 +50 A A TYR VAL 980 981 CA N 1 2.41 +51 A A TYR VAL 980 981 C N 1 1.33 +52 A A TYR VAL 980 981 C CA 1 2.48 +53 A A VAL VAL 981 981 N CB 1 2.39 +54 A A VAL VAL 981 981 N N 1 0.05 +55 A A VAL VAL 981 981 N CA 1 1.43 +56 A A VAL VAL 981 981 N C 1 2.49 +57 A A VAL VAL 981 981 N CB 1 2.59 +58 A A VAL VAL 981 981 N CA 1 1.49 +59 A A VAL VAL 981 981 N C 1 2.49 +60 A A VAL VAL 981 981 CA CB 1 1.62 +61 A A VAL VAL 981 981 CA CG2 1 2.56 +62 A A VAL VAL 981 981 CA O 1 2.45 +63 A A VAL VAL 981 981 CA CG1 1 2.62 +64 A A VAL VAL 981 981 CA CA 1 0.10 +65 A A VAL VAL 981 981 CA C 1 1.55 +66 A A VAL VAL 981 981 CA CG2 1 2.46 +67 A A VAL VAL 981 981 CA O 1 2.37 +68 A A VAL VAL 981 981 CA CB 1 1.51 +69 A A VAL VAL 981 981 CA CG1 1 2.52 +70 A A VAL VAL 981 981 CA C 1 1.55 +71 A A VAL PRO 981 982 CA N 1 2.53 +72 A A VAL VAL 981 981 C CB 1 2.65 +73 A A VAL VAL 981 981 C O 1 1.26 +74 A A VAL VAL 981 981 C C 1 0.03 +75 A A VAL VAL 981 981 C O 1 1.20 +76 A A VAL VAL 981 981 C CB 1 2.61 +77 A A VAL PRO 981 982 C CD 1 2.57 +78 A A VAL PRO 981 982 C N 1 1.36 +79 A A VAL PRO 981 982 C CA 1 2.46 +80 A A VAL VAL 981 981 O O 1 0.07 +81 A A VAL PRO 981 982 O N 1 2.26 +82 A A VAL VAL 981 981 CB CB 1 0.51 +83 A A VAL VAL 981 981 CB CG2 1 1.37 +84 A A VAL VAL 981 981 CB CG1 1 1.53 +85 A A VAL VAL 981 981 CB CG2 1 1.07 +86 A A VAL VAL 981 981 CB CG1 1 1.80 +87 A A VAL VAL 981 981 CG1 CG2 1 0.52 +88 A A VAL VAL 981 981 CG1 CG1 1 2.78 +89 A A VAL VAL 981 981 CG1 CG2 1 1.59 +90 A A VAL VAL 981 981 CG2 CG2 1 2.06 +91 A A LEU ARG 1122 1123 CA N 1 2.48 +92 A A LEU ARG 1122 1123 C N 1 1.35 +93 A A LEU ARG 1122 1123 C CA 1 2.49 +94 A A ARG ARG 1123 1123 N N 1 0.02 +95 A A ARG ARG 1123 1123 N CA 1 1.49 +96 A A ARG ARG 1123 1123 N CB 1 2.50 +97 A A ARG ARG 1123 1123 N C 1 2.50 +98 A A ARG ARG 1123 1123 N CA 1 1.44 +99 A A ARG ARG 1123 1123 N CB 1 2.45 +100 A A ARG ARG 1123 1123 N C 1 2.42 +101 A A ARG ARG 1123 1123 CA CA 1 0.03 +102 A A ARG ARG 1123 1123 CA CB 1 1.54 +103 A A ARG ARG 1123 1123 CA O 1 2.43 +104 A A ARG ARG 1123 1123 CA CG 1 2.60 +105 A A ARG ARG 1123 1123 CA C 1 1.56 +106 A A ARG ARG 1123 1123 CA CB 1 1.55 +107 A A ARG ARG 1123 1123 CA O 1 2.37 +108 A A ARG ARG 1123 1123 CA CG 1 2.57 +109 A A ARG ARG 1123 1123 CA C 1 1.52 +110 A A ARG LEU 1123 1124 CA N 1 2.48 +111 A A ARG ARG 1123 1123 C CB 1 2.59 +112 A A ARG ARG 1123 1123 C O 1 1.26 +113 A A ARG ARG 1123 1123 C C 1 0.10 +114 A A ARG ARG 1123 1123 C CB 1 2.50 +115 A A ARG ARG 1123 1123 C O 1 1.24 +116 A A ARG LEU 1123 1124 C N 1 1.35 +117 A A ARG LEU 1123 1124 C CA 1 2.49 +118 A A ARG ARG 1123 1123 O O 1 0.33 +119 A A ARG ARG 1123 1123 CB CB 1 0.18 +120 A A ARG ARG 1123 1123 CB CG 1 1.64 +121 A A ARG ARG 1123 1123 CB CD 1 2.71 +122 A A ARG ARG 1123 1123 CB CD 1 2.43 +123 A A ARG ARG 1123 1123 CB CG 1 1.41 +124 A A ARG ARG 1123 1123 CG NE 1 2.60 +125 A A ARG ARG 1123 1123 CG CG 1 0.19 +126 A A ARG ARG 1123 1123 CG CD 1 1.57 +127 A A ARG ARG 1123 1123 CG CD 1 1.62 +128 A A ARG ARG 1123 1123 CG NE 1 2.50 +129 A A ARG ARG 1123 1123 CD CD 1 2.13 +130 A A ARG ARG 1123 1123 CD NE 1 2.06 +131 A A ARG ARG 1123 1123 NE NH2 1 2.30 +132 A A GLU LEU 1126 1127 CA N 1 2.47 +133 A A GLU LEU 1126 1127 C N 1 1.35 +134 A A GLU LEU 1126 1127 C CA 1 2.51 +135 A A LEU LEU 1127 1127 N N 1 0.02 +136 A A LEU LEU 1127 1127 N CA 1 1.45 +137 A A LEU LEU 1127 1127 N C 1 2.45 +138 A A LEU LEU 1127 1127 N CB 1 2.45 +139 A A LEU LEU 1127 1127 N CA 1 1.49 +140 A A LEU LEU 1127 1127 N C 1 2.49 +141 A A LEU LEU 1127 1127 N CB 1 2.49 +142 A A LEU LEU 1127 1127 CA CA 1 0.11 +143 A A LEU LEU 1127 1127 CA C 1 1.49 +144 A A LEU LEU 1127 1127 CA CB 1 1.65 +145 A A LEU LEU 1127 1127 CA O 1 2.32 +146 A A LEU LEU 1127 1127 CA CG 1 2.70 +147 A A LEU LEU 1127 1128 CA N 1 2.47 +148 A A LEU LEU 1127 1127 CA CG 1 2.52 +149 A A LEU LEU 1127 1127 CA C 1 1.58 +150 A A LEU LEU 1127 1127 CA CB 1 1.44 +151 A A LEU LEU 1127 1127 CA O 1 2.47 +152 A A LEU LEU 1127 1127 C C 1 0.08 +153 A A LEU LEU 1127 1127 C CB 1 2.62 +154 A A LEU LEU 1127 1127 C O 1 1.20 +155 A A LEU LEU 1127 1128 C N 1 1.35 +156 A A LEU LEU 1127 1128 C CA 1 2.50 +157 A A LEU LEU 1127 1127 C CB 1 2.42 +158 A A LEU LEU 1127 1127 C O 1 1.27 +159 A A LEU LEU 1127 1127 O O 1 0.12 +160 A A LEU LEU 1127 1127 CB CB 1 0.26 +161 A A LEU LEU 1127 1127 CB CG 1 1.42 +162 A A LEU LEU 1127 1127 CB CD1 1 2.44 +163 A A LEU LEU 1127 1127 CB CD2 1 2.51 +164 A A LEU LEU 1127 1127 CB CD2 1 2.57 +165 A A LEU LEU 1127 1127 CB CG 1 1.43 +166 A A LEU LEU 1127 1127 CB CD1 1 2.31 +167 A A LEU LEU 1127 1127 CG CG 1 2.22 +168 A A LEU LEU 1127 1127 CG CD1 1 2.24 +169 A A LEU LEU 1127 1127 CG CD2 1 2.75 +170 A A LEU LEU 1127 1127 CG CD1 1 2.63 +171 A A LEU LEU 1127 1127 CD1 CD1 1 2.29 +172 A A LEU LEU 1127 1127 CD1 CD2 1 2.15 +173 A A PRO ARG 1135 1136 CA N 1 2.45 +174 A A PRO ARG 1135 1136 C N 1 1.34 +175 A A PRO ARG 1135 1136 C CA 1 2.45 +176 A A ARG ARG 1136 1136 N N 1 0.00 +177 A A ARG ARG 1136 1136 N CA 1 1.46 +178 A A ARG ARG 1136 1136 N C 1 2.42 +179 A A ARG ARG 1136 1136 N CB 1 2.49 +180 A A ARG ARG 1136 1136 N CA 1 1.46 +181 A A ARG ARG 1136 1136 N C 1 2.42 +182 A A ARG ARG 1136 1136 N CB 1 2.47 +183 A A ARG ARG 1136 1136 CA CA 1 0.02 +184 A A ARG ARG 1136 1136 CA C 1 1.54 +185 A A ARG ARG 1136 1136 CA CB 1 1.53 +186 A A ARG ARG 1136 1136 CA CG 1 2.57 +187 A A ARG ARG 1136 1136 CA O 1 2.39 +188 A A ARG ARG 1136 1136 CA C 1 1.53 +189 A A ARG ARG 1136 1136 CA CB 1 1.56 +190 A A ARG ARG 1136 1136 CA CG 1 2.60 +191 A A ARG ARG 1136 1136 CA O 1 2.40 +192 A A ARG PRO 1136 1137 CA N 1 2.48 +193 A A ARG ARG 1136 1136 C C 1 0.01 +194 A A ARG ARG 1136 1136 C CB 1 2.53 +195 A A ARG ARG 1136 1136 C O 1 1.24 +196 A A ARG ARG 1136 1136 C CB 1 2.56 +197 A A ARG ARG 1136 1136 C O 1 1.24 +198 A A ARG PRO 1136 1137 C N 1 1.36 +199 A A ARG PRO 1136 1137 C CA 1 2.46 +200 A A ARG PRO 1136 1137 C CD 1 2.56 +201 A A ARG ARG 1136 1136 O O 1 0.01 +202 A A ARG PRO 1136 1137 O N 1 2.27 +203 A A ARG ARG 1136 1136 CB CB 1 0.07 +204 A A ARG ARG 1136 1136 CB CG 1 1.59 +205 A A ARG ARG 1136 1136 CB CD 1 2.55 +206 A A ARG ARG 1136 1136 CB CG 1 1.48 +207 A A ARG ARG 1136 1136 CB CD 1 2.50 +208 A A ARG ARG 1136 1136 CG CG 1 0.16 +209 A A ARG ARG 1136 1136 CG CD 1 1.43 +210 A A ARG ARG 1136 1136 CG NE 1 2.34 +211 A A ARG ARG 1136 1136 CG CD 1 1.62 +212 A A ARG ARG 1136 1136 CG NE 1 2.55 +213 A A ARG ARG 1136 1136 CD CD 1 0.25 +214 A A ARG ARG 1136 1136 CD NE 1 1.32 +215 A A ARG ARG 1136 1136 CD CZ 1 2.28 +216 A A ARG ARG 1136 1136 CD NE 1 1.47 +217 A A ARG ARG 1136 1136 CD CZ 1 2.57 +218 A A ARG ARG 1136 1136 NE NE 1 0.86 +219 A A ARG ARG 1136 1136 NE CZ 1 1.86 +220 A A ARG ARG 1136 1136 NE NH2 1 1.64 +221 A A ARG ARG 1136 1136 NE CZ 1 1.19 +222 A A ARG ARG 1136 1136 CZ CZ 1 1.51 +223 A A ARG ARG 1136 1136 CZ NH1 1 1.72 +224 A A ARG ARG 1136 1136 CZ NH2 1 1.48 +225 A A ARG ARG 1136 1136 CZ NH1 1 2.54 +226 A A ARG ARG 1136 1136 NH1 NH1 1 2.17 +227 A A ARG ARG 1136 1136 NH1 NH2 1 1.38 +228 A A PHE GLU 1162 1163 CA N 1 2.44 +229 A A PHE GLU 1162 1163 C N 1 1.35 +230 A A PHE GLU 1162 1163 C CA 1 2.50 +231 A A GLU GLU 1163 1163 N CB 1 2.47 +232 A A GLU GLU 1163 1163 N N 1 0.00 +233 A A GLU GLU 1163 1163 N CA 1 1.47 +234 A A GLU GLU 1163 1163 N C 1 2.47 +235 A A GLU GLU 1163 1163 N CB 1 2.47 +236 A A GLU GLU 1163 1163 N CA 1 1.47 +237 A A GLU GLU 1163 1163 N C 1 2.48 +238 A A GLU GLU 1163 1163 CA CB 1 1.56 +239 A A GLU GLU 1163 1163 CA CG 1 2.59 +240 A A GLU GLU 1163 1163 CA CA 1 0.02 +241 A A GLU GLU 1163 1163 CA C 1 1.54 +242 A A GLU GLU 1163 1163 CA O 1 2.39 +243 A A GLU GLU 1163 1163 CA CB 1 1.53 +244 A A GLU GLU 1163 1163 CA C 1 1.53 +245 A A GLU GLU 1163 1163 CA O 1 2.40 +246 A A GLU ASN 1163 1164 CA N 1 2.46 +247 A A GLU GLU 1163 1163 CA CG 1 2.57 +248 A A GLU GLU 1163 1163 C CB 1 2.52 +249 A A GLU GLU 1163 1163 C C 1 0.04 +250 A A GLU GLU 1163 1163 C O 1 1.23 +251 A A GLU ASN 1163 1164 C CA 1 2.47 +252 A A GLU GLU 1163 1163 C CB 1 2.57 +253 A A GLU GLU 1163 1163 C O 1 1.23 +254 A A GLU ASN 1163 1164 C N 1 1.34 +255 A A GLU GLU 1163 1163 O O 1 0.10 +256 A A GLU GLU 1163 1163 CB CB 1 0.11 +257 A A GLU GLU 1163 1163 CB CG 1 1.50 +258 A A GLU GLU 1163 1163 CB CD 1 2.56 +259 A A GLU GLU 1163 1163 CB CG 1 1.59 +260 A A GLU GLU 1163 1163 CB CD 1 2.69 +261 A A GLU GLU 1163 1163 CG OE1 1 2.29 +262 A A GLU GLU 1163 1163 CG CG 1 0.73 +263 A A GLU GLU 1163 1163 CG CD 1 1.80 +264 A A GLU GLU 1163 1163 CG CD 1 2.24 +265 A A LYS THR 1170 1171 CA N 1 2.50 +266 A A LYS THR 1170 1171 C N 1 1.36 +267 A A LYS THR 1170 1171 C CA 1 2.48 +268 A A THR THR 1171 1171 N CB 1 2.55 +269 A A THR THR 1171 1171 N C 1 2.54 +270 A A THR THR 1171 1171 N N 1 0.03 +271 A A THR THR 1171 1171 N CA 1 1.49 +272 A A THR THR 1171 1171 N CB 1 2.46 +273 A A THR THR 1171 1171 N C 1 2.47 +274 A A THR THR 1171 1171 N CA 1 1.44 +275 A A THR THR 1171 1171 CA CB 1 1.49 +276 A A THR THR 1171 1171 CA OG1 1 2.41 +277 A A THR THR 1171 1171 CA CG2 1 2.47 +278 A A THR THR 1171 1171 CA C 1 1.57 +279 A A THR THR 1171 1171 CA CA 1 0.11 +280 A A THR THR 1171 1171 CA O 1 2.46 +281 A A THR THR 1171 1171 CA CB 1 1.64 +282 A A THR THR 1171 1171 CA OG1 1 2.51 +283 A A THR THR 1171 1171 CA CG2 1 2.61 +284 A A THR VAL 1171 1172 CA N 1 2.47 +285 A A THR THR 1171 1171 CA C 1 1.50 +286 A A THR THR 1171 1171 CA O 1 2.33 +287 A A THR THR 1171 1171 C CB 1 2.62 +288 A A THR THR 1171 1171 C C 1 0.06 +289 A A THR THR 1171 1171 C O 1 1.27 +290 A A THR THR 1171 1171 C CB 1 2.58 +291 A A THR VAL 1171 1172 C N 1 1.35 +292 A A THR VAL 1171 1172 C CA 1 2.48 +293 A A THR THR 1171 1171 C O 1 1.21 +294 A A THR THR 1171 1171 O O 1 0.19 +295 A A THR THR 1171 1171 CB CB 1 0.56 +296 A A THR THR 1171 1171 CB OG1 1 1.79 +297 A A THR THR 1171 1171 CB CG2 1 1.03 +298 A A THR THR 1171 1171 CB OG1 1 1.35 +299 A A THR THR 1171 1171 CB CG2 1 1.46 +300 A A THR THR 1171 1171 OG1 CG2 1 1.77 +301 A A THR THR 1171 1171 OG1 CG2 1 0.92 +302 A A THR THR 1171 1171 CG2 CG2 1 1.77 + +loop_ +_plop_healthcheck.id +_plop_healthcheck.type +_plop_healthcheck.details +_plop_healthcheck.ptnr1_auth_asym_id +_plop_healthcheck.ptnr1_auth_comp_id +_plop_healthcheck.ptnr1_auth_seq_id +_plop_healthcheck.ptnr1_label_asym_id +_plop_healthcheck.ptnr1_label_comp_id +_plop_healthcheck.ptnr1_label_seq_id +_plop_healthcheck.ptnr1_label_atom_id +_plop_healthcheck.ptnr2_auth_asym_id +_plop_healthcheck.ptnr2_label_asym_id +_plop_healthcheck.ptnr2_label_comp_id +_plop_healthcheck.ptnr2_label_seq_id +_plop_healthcheck.ptnr2_label_atom_id +_plop_healthcheck.dist +_plop_healthcheck.pdbx_pdb_model_num +1 proline 'Unusual proline puckering' A PRO 885 A PRO 4 ? ? ? ? ? ? ? 1 +2 proline 'Unusual proline puckering' A PRO 889 A PRO 8 ? ? ? ? ? ? ? 1 +3 proline 'Unusual proline puckering' A PRO 938 A PRO 57 ? ? ? ? ? ? ? 1 +4 denscorr sidechain A VAL 891 A VAL 10 ? ? ? ? ? ? 0.53 1 +5 denscorr sidechain A ARG 895 A ARG 14 ? ? ? ? ? ? 0.61 1 +6 denscorr sidechain A LEU 897 A LEU 16 ? ? ? ? ? ? 0.56 1 +7 denscorr sidechain A LYS 910 A LYS 29 ? ? ? ? ? ? 0.75 1 +8 denscorr sidechain A ALA 928 A ALA 47 ? ? ? ? ? ? 0.78 1 +9 denscorr sidechain A VAL 929 A VAL 48 ? ? ? ? ? ? 0.72 1 +10 denscorr sidechain A LYS 930 A LYS 49 ? ? ? ? ? ? 0.75 1 +11 denscorr sidechain A ALA 931 A ALA 50 ? ? ? ? ? ? 0.26 1 +12 denscorr sidechain A TRP 944 A TRP 63 ? ? ? ? ? ? 0.68 1 +13 denscorr sidechain A TYR 955 A TYR 74 ? ? ? ? ? ? 0.75 1 +14 denscorr sidechain A ALA 1115 A ALA 234 ? ? ? ? ? ? -0.24 1 +15 denscorr sidechain A GLN 1116 A GLN 235 ? ? ? ? ? ? 0.32 1 +16 denscorr sidechain A GLN 1118 A GLN 237 ? ? ? ? ? ? 0.67 1 +17 densidx backbone A VAL 891 A VAL 10 ? ? ? ? ? ? 0.59 1 +18 densidx backbone A PHE 892 A PHE 11 ? ? ? ? ? ? 0.74 1 +19 densidx backbone A HIS 893 A HIS 12 ? ? ? ? ? ? 0.80 1 +20 densidx backbone A GLU 905 A GLU 24 ? ? ? ? ? ? 0.68 1 +21 densidx backbone A GLY 906 A GLY 25 ? ? ? ? ? ? 0.58 1 +22 densidx backbone A PHE 908 A PHE 27 ? ? ? ? ? ? 0.74 1 +23 densidx backbone A GLY 909 A GLY 28 ? ? ? ? ? ? 0.73 1 +24 densidx backbone A THR 919 A THR 38 ? ? ? ? ? ? 0.53 1 +25 densidx backbone A GLY 922 A GLY 41 ? ? ? ? ? ? 0.72 1 +26 densidx backbone A GLU 925 A GLU 44 ? ? ? ? ? ? 0.76 1 +27 densidx backbone A LEU 932 A LEU 51 ? ? ? ? ? ? 0.04 1 +28 densidx backbone A TRP 944 A TRP 63 ? ? ? ? ? ? 0.73 1 +29 densidx backbone A LYS 945 A LYS 64 ? ? ? ? ? ? 0.77 1 +30 densidx backbone A CYS 966 A CYS 85 ? ? ? ? ? ? 0.75 1 +31 densidx backbone A GLU 967 A GLU 86 ? ? ? ? ? ? 0.56 1 +32 densidx backbone A LEU 974 A LEU 93 ? ? ? ? ? ? 0.49 1 +33 densidx backbone A LEU 1111 A LEU 230 ? ? ? ? ? ? 0.66 1 +34 densidx backbone A ILE 1112 A ILE 231 ? ? ? ? ? ? 0.61 1 +35 densidx backbone A GLY 1113 A GLY 232 ? ? ? ? ? ? 0.49 1 +36 densidx backbone A ILE 1114 A ILE 233 ? ? ? ? ? ? 0.72 1 +37 densidx backbone A ALA 1115 A ALA 234 ? ? ? ? ? ? 0.48 1 +38 densidx backbone A GLN 1116 A GLN 235 ? ? ? ? ? ? 0.68 1 +39 densidx backbone A GLY 1117 A GLY 236 ? ? ? ? ? ? 0.61 1 +40 densidx backbone A HIS 1178 A HIS 297 ? ? ? ? ? ? 0.55 1 +41 densidx sidechain A THR 890 A THR 9 ? ? ? ? ? ? 0.15 1 +42 densidx sidechain A VAL 891 A VAL 10 ? ? ? ? ? ? 0.00 1 +43 densidx sidechain A PHE 892 A PHE 11 ? ? ? ? ? ? 0.56 1 +44 densidx sidechain A HIS 893 A HIS 12 ? ? ? ? ? ? 0.43 1 +45 densidx sidechain A LYS 894 A LYS 13 ? ? ? ? ? ? 0.20 1 +46 densidx sidechain A ARG 895 A ARG 14 ? ? ? ? ? ? 0.01 1 +47 densidx sidechain A TYR 896 A TYR 15 ? ? ? ? ? ? 0.34 1 +48 densidx sidechain A LEU 897 A LEU 16 ? ? ? ? ? ? 0.00 1 +49 densidx sidechain A LYS 898 A LYS 17 ? ? ? ? ? ? 0.21 1 +50 densidx sidechain A LYS 899 A LYS 18 ? ? ? ? ? ? 0.26 1 +51 densidx sidechain A ILE 900 A ILE 19 ? ? ? ? ? ? 0.04 1 +52 densidx sidechain A ARG 901 A ARG 20 ? ? ? ? ? ? 0.53 1 +53 densidx sidechain A ASP 902 A ASP 21 ? ? ? ? ? ? 0.66 1 +54 densidx sidechain A LEU 903 A LEU 22 ? ? ? ? ? ? 0.05 1 +55 densidx sidechain A GLU 905 A GLU 24 ? ? ? ? ? ? 0.33 1 +56 densidx sidechain A HIS 907 A HIS 26 ? ? ? ? ? ? 0.00 1 +57 densidx sidechain A PHE 908 A PHE 27 ? ? ? ? ? ? 0.25 1 +58 densidx sidechain A LYS 910 A LYS 29 ? ? ? ? ? ? 0.04 1 +59 densidx sidechain A VAL 911 A VAL 30 ? ? ? ? ? ? 0.01 1 +60 densidx sidechain A SER 912 A SER 31 ? ? ? ? ? ? 0.74 1 +61 densidx sidechain A LEU 913 A LEU 32 ? ? ? ? ? ? 0.25 1 +62 densidx sidechain A TYR 914 A TYR 33 ? ? ? ? ? ? 0.37 1 +63 densidx sidechain A TYR 916 A TYR 35 ? ? ? ? ? ? 0.61 1 +64 densidx sidechain A ASP 917 A ASP 36 ? ? ? ? ? ? 0.78 1 +65 densidx sidechain A PRO 918 A PRO 37 ? ? ? ? ? ? 0.47 1 +66 densidx sidechain A THR 919 A THR 38 ? ? ? ? ? ? 0.02 1 +67 densidx sidechain A ASN 920 A ASN 39 ? ? ? ? ? ? 0.38 1 +68 densidx sidechain A ASP 921 A ASP 40 ? ? ? ? ? ? 0.67 1 +69 densidx sidechain A THR 923 A THR 42 ? ? ? ? ? ? 0.32 1 +70 densidx sidechain A GLU 925 A GLU 44 ? ? ? ? ? ? 0.68 1 +71 densidx sidechain A MET 926 A MET 45 ? ? ? ? ? ? 0.47 1 +72 densidx sidechain A VAL 927 A VAL 46 ? ? ? ? ? ? 0.43 1 +73 densidx sidechain A ALA 928 A ALA 47 ? ? ? ? ? ? 0.18 1 +74 densidx sidechain A VAL 929 A VAL 48 ? ? ? ? ? ? 0.01 1 +75 densidx sidechain A LYS 930 A LYS 49 ? ? ? ? ? ? 0.09 1 +76 densidx sidechain A ALA 931 A ALA 50 ? ? ? ? ? ? 0.00 1 +77 densidx sidechain A LEU 932 A LEU 51 ? ? ? ? ? ? 0.00 1 +78 densidx sidechain A TRP 944 A TRP 63 ? ? ? ? ? ? 0.02 1 +79 densidx sidechain A LYS 945 A LYS 64 ? ? ? ? ? ? 0.01 1 +80 densidx sidechain A GLN 946 A GLN 65 ? ? ? ? ? ? 0.59 1 +81 densidx sidechain A ILE 948 A ILE 67 ? ? ? ? ? ? 0.01 1 +82 densidx sidechain A ASP 949 A ASP 68 ? ? ? ? ? ? 0.68 1 +83 densidx sidechain A ILE 950 A ILE 69 ? ? ? ? ? ? 0.01 1 +84 densidx sidechain A LEU 951 A LEU 70 ? ? ? ? ? ? 0.04 1 +85 densidx sidechain A ARG 952 A ARG 71 ? ? ? ? ? ? 0.43 1 +86 densidx sidechain A THR 953 A THR 72 ? ? ? ? ? ? 0.72 1 +87 densidx sidechain A LEU 954 A LEU 73 ? ? ? ? ? ? 0.42 1 +88 densidx sidechain A TYR 955 A TYR 74 ? ? ? ? ? ? 0.02 1 +89 densidx sidechain A GLU 957 A GLU 76 ? ? ? ? ? ? 0.80 1 +90 densidx sidechain A ILE 959 A ILE 78 ? ? ? ? ? ? 0.44 1 +91 densidx sidechain A ILE 960 A ILE 79 ? ? ? ? ? ? 0.05 1 +92 densidx sidechain A LYS 961 A LYS 80 ? ? ? ? ? ? 0.38 1 +93 densidx sidechain A TYR 962 A TYR 81 ? ? ? ? ? ? 0.65 1 +94 densidx sidechain A LYS 963 A LYS 82 ? ? ? ? ? ? 0.08 1 +95 densidx sidechain A CYS 965 A CYS 84 ? ? ? ? ? ? 0.42 1 +96 densidx sidechain A GLU 967 A GLU 86 ? ? ? ? ? ? 0.23 1 +97 densidx sidechain A LEU 974 A LEU 93 ? ? ? ? ? ? 0.02 1 +98 densidx sidechain A GLN 975 A GLN 94 ? ? ? ? ? ? 0.27 1 +99 densidx sidechain A LEU 976 A LEU 95 ? ? ? ? ? ? 0.05 1 +100 densidx sidechain A VAL 977 A VAL 96 ? ? ? ? ? ? 0.27 1 +101 densidx sidechain A MET 978 A MET 97 ? ? ? ? ? ? 0.68 1 +102 densidx sidechain A TYR 980 A TYR 99 ? ? ? ? ? ? 0.69 1 +103 densidx sidechain A VAL 981 A VAL 100 ? ? ? ? ? ? 0.02 1 +104 densidx sidechain A PRO 982 A PRO 101 ? ? ? ? ? ? 0.48 1 +105 densidx sidechain A LEU 983 A LEU 102 ? ? ? ? ? ? 0.21 1 +106 densidx sidechain A SER 985 A SER 104 ? ? ? ? ? ? 0.52 1 +107 densidx sidechain A LEU 986 A LEU 105 ? ? ? ? ? ? 0.35 1 +108 densidx sidechain A ARG 987 A ARG 106 ? ? ? ? ? ? 0.37 1 +109 densidx sidechain A ASP 988 A ASP 107 ? ? ? ? ? ? 0.51 1 +110 densidx sidechain A TYR 989 A TYR 108 ? ? ? ? ? ? 0.73 1 +111 densidx sidechain A LEU 990 A LEU 109 ? ? ? ? ? ? 0.29 1 +112 densidx sidechain A SER 994 A SER 113 ? ? ? ? ? ? 0.61 1 +113 densidx sidechain A ILE 995 A ILE 114 ? ? ? ? ? ? 0.36 1 +114 densidx sidechain A LEU 997 A LEU 116 ? ? ? ? ? ? 0.23 1 +115 densidx sidechain A ALA 998 A ALA 117 ? ? ? ? ? ? 0.33 1 +116 densidx sidechain A GLN 999 A GLN 118 ? ? ? ? ? ? 0.66 1 +117 densidx sidechain A LEU 1000 A LEU 119 ? ? ? ? ? ? 0.66 1 +118 densidx sidechain A LEU 1001 A LEU 120 ? ? ? ? ? ? 0.45 1 +119 densidx sidechain A LEU 1002 A LEU 121 ? ? ? ? ? ? 0.50 1 +120 densidx sidechain A ALA 1004 A ALA 123 ? ? ? ? ? ? 0.57 1 +121 densidx sidechain A GLN 1005 A GLN 124 ? ? ? ? ? ? 0.80 1 +122 densidx sidechain A ILE 1007 A ILE 126 ? ? ? ? ? ? 0.42 1 +123 densidx sidechain A ALA 1012 A ALA 131 ? ? ? ? ? ? 0.57 1 +124 densidx sidechain A LEU 1014 A LEU 133 ? ? ? ? ? ? 0.37 1 +125 densidx sidechain A TYR 1019 A TYR 138 ? ? ? ? ? ? 0.78 1 +126 densidx sidechain A ILE 1020 A ILE 139 ? ? ? ? ? ? 0.61 1 +127 densidx sidechain A ARG 1022 A ARG 141 ? ? ? ? ? ? 0.50 1 +128 densidx sidechain A ASN 1023 A ASN 142 ? ? ? ? ? ? 0.80 1 +129 densidx sidechain A LEU 1024 A LEU 143 ? ? ? ? ? ? 0.68 1 +130 densidx sidechain A ALA 1025 A ALA 144 ? ? ? ? ? ? 0.43 1 +131 densidx sidechain A ALA 1026 A ALA 145 ? ? ? ? ? ? 0.61 1 +132 densidx sidechain A ARG 1027 A ARG 146 ? ? ? ? ? ? 0.47 1 +133 densidx sidechain A VAL 1029 A VAL 148 ? ? ? ? ? ? 0.38 1 +134 densidx sidechain A LEU 1030 A LEU 149 ? ? ? ? ? ? 0.50 1 +135 densidx sidechain A LEU 1031 A LEU 150 ? ? ? ? ? ? 0.24 1 +136 densidx sidechain A ASN 1033 A ASN 152 ? ? ? ? ? ? 0.78 1 +137 densidx sidechain A ARG 1035 A ARG 154 ? ? ? ? ? ? 0.54 1 +138 densidx sidechain A LEU 1036 A LEU 155 ? ? ? ? ? ? 0.17 1 +139 densidx sidechain A VAL 1037 A VAL 156 ? ? ? ? ? ? 0.77 1 +140 densidx sidechain A LYS 1038 A LYS 157 ? ? ? ? ? ? 0.38 1 +141 densidx sidechain A ILE 1039 A ILE 158 ? ? ? ? ? ? 0.46 1 +142 densidx sidechain A PHE 1042 A PHE 161 ? ? ? ? ? ? 0.62 1 +143 densidx sidechain A LEU 1044 A LEU 163 ? ? ? ? ? ? 0.21 1 +144 densidx sidechain A ALA 1045 A ALA 164 ? ? ? ? ? ? 0.21 1 +145 densidx sidechain A LYS 1046 A LYS 165 ? ? ? ? ? ? 0.54 1 +146 densidx sidechain A ALA 1047 A ALA 166 ? ? ? ? ? ? 0.40 1 +147 densidx sidechain A VAL 1048 A VAL 167 ? ? ? ? ? ? 0.37 1 +148 densidx sidechain A PRO 1049 A PRO 168 ? ? ? ? ? ? 0.73 1 +149 densidx sidechain A GLU 1050 A GLU 169 ? ? ? ? ? ? 0.32 1 +150 densidx sidechain A HIS 1052 A HIS 171 ? ? ? ? ? ? 0.74 1 +151 densidx sidechain A GLU 1053 A GLU 172 ? ? ? ? ? ? 0.48 1 +152 densidx sidechain A ARG 1056 A ARG 175 ? ? ? ? ? ? 0.63 1 +153 densidx sidechain A VAL 1057 A VAL 176 ? ? ? ? ? ? 0.44 1 +154 densidx sidechain A ARG 1058 A ARG 177 ? ? ? ? ? ? 0.56 1 +155 densidx sidechain A ASP 1060 A ASP 179 ? ? ? ? ? ? 0.77 1 +156 densidx sidechain A ASP 1062 A ASP 181 ? ? ? ? ? ? 0.03 1 +157 densidx sidechain A SER 1063 A SER 182 ? ? ? ? ? ? 0.58 1 +158 densidx sidechain A PRO 1064 A PRO 183 ? ? ? ? ? ? 0.63 1 +159 densidx sidechain A VAL 1065 A VAL 184 ? ? ? ? ? ? 0.38 1 +160 densidx sidechain A ALA 1069 A ALA 188 ? ? ? ? ? ? 0.73 1 +161 densidx sidechain A LEU 1073 A LEU 192 ? ? ? ? ? ? 0.68 1 +162 densidx sidechain A LYS 1074 A LYS 193 ? ? ? ? ? ? 0.56 1 +163 densidx sidechain A LYS 1077 A LYS 196 ? ? ? ? ? ? 0.57 1 +164 densidx sidechain A ALA 1081 A ALA 200 ? ? ? ? ? ? 0.75 1 +165 densidx sidechain A VAL 1089 A VAL 208 ? ? ? ? ? ? 0.64 1 +166 densidx sidechain A THR 1090 A THR 209 ? ? ? ? ? ? 0.79 1 +167 densidx sidechain A LEU 1091 A LEU 210 ? ? ? ? ? ? 0.75 1 +168 densidx sidechain A LEU 1094 A LEU 213 ? ? ? ? ? ? 0.45 1 +169 densidx sidechain A LEU 1095 A LEU 214 ? ? ? ? ? ? 0.64 1 +170 densidx sidechain A THR 1096 A THR 215 ? ? ? ? ? ? 0.69 1 +171 densidx sidechain A SER 1100 A SER 219 ? ? ? ? ? ? 0.59 1 +172 densidx sidechain A SER 1101 A SER 220 ? ? ? ? ? ? 0.58 1 +173 densidx sidechain A GLN 1102 A GLN 221 ? ? ? ? ? ? 0.57 1 +174 densidx sidechain A SER 1103 A SER 222 ? ? ? ? ? ? 0.47 1 +175 densidx sidechain A PRO 1104 A PRO 223 ? ? ? ? ? ? 0.77 1 +176 densidx sidechain A PRO 1105 A PRO 224 ? ? ? ? ? ? 0.37 1 +177 densidx sidechain A THR 1106 A THR 225 ? ? ? ? ? ? 0.55 1 +178 densidx sidechain A LYS 1107 A LYS 226 ? ? ? ? ? ? 0.32 1 +179 densidx sidechain A PHE 1108 A PHE 227 ? ? ? ? ? ? 0.75 1 +180 densidx sidechain A LEU 1109 A LEU 228 ? ? ? ? ? ? 0.22 1 +181 densidx sidechain A GLU 1110 A GLU 229 ? ? ? ? ? ? 0.42 1 +182 densidx sidechain A LEU 1111 A LEU 230 ? ? ? ? ? ? 0.03 1 +183 densidx sidechain A ILE 1112 A ILE 231 ? ? ? ? ? ? 0.02 1 +184 densidx sidechain A ILE 1114 A ILE 233 ? ? ? ? ? ? 0.03 1 +185 densidx sidechain A ALA 1115 A ALA 234 ? ? ? ? ? ? 0.00 1 +186 densidx sidechain A GLN 1116 A GLN 235 ? ? ? ? ? ? 0.00 1 +187 densidx sidechain A GLN 1118 A GLN 237 ? ? ? ? ? ? 0.00 1 +188 densidx sidechain A MET 1119 A MET 238 ? ? ? ? ? ? 0.54 1 +189 densidx sidechain A VAL 1121 A VAL 240 ? ? ? ? ? ? 0.49 1 +190 densidx sidechain A LEU 1122 A LEU 241 ? ? ? ? ? ? 0.21 1 +191 densidx sidechain A ARG 1123 A ARG 242 ? ? ? ? ? ? 0.19 1 +192 densidx sidechain A LEU 1124 A LEU 243 ? ? ? ? ? ? 0.77 1 +193 densidx sidechain A LEU 1127 A LEU 246 ? ? ? ? ? ? 0.01 1 +194 densidx sidechain A LEU 1128 A LEU 247 ? ? ? ? ? ? 0.67 1 +195 densidx sidechain A GLU 1129 A GLU 248 ? ? ? ? ? ? 0.61 1 +196 densidx sidechain A ARG 1130 A ARG 249 ? ? ? ? ? ? 0.65 1 +197 densidx sidechain A GLU 1132 A GLU 251 ? ? ? ? ? ? 0.55 1 +198 densidx sidechain A LEU 1134 A LEU 253 ? ? ? ? ? ? 0.41 1 +199 densidx sidechain A ARG 1136 A ARG 255 ? ? ? ? ? ? 0.58 1 +200 densidx sidechain A ASP 1138 A ASP 257 ? ? ? ? ? ? 0.53 1 +201 densidx sidechain A LYS 1139 A LYS 258 ? ? ? ? ? ? 0.34 1 +202 densidx sidechain A VAL 1144 A VAL 263 ? ? ? ? ? ? 0.58 1 +203 densidx sidechain A LEU 1147 A LEU 266 ? ? ? ? ? ? 0.04 1 +204 densidx sidechain A GLU 1155 A GLU 274 ? ? ? ? ? ? 0.67 1 +205 densidx sidechain A ALA 1156 A ALA 275 ? ? ? ? ? ? 0.40 1 +206 densidx sidechain A GLU 1163 A GLU 282 ? ? ? ? ? ? 0.12 1 +207 densidx sidechain A ASN 1164 A ASN 283 ? ? ? ? ? ? 0.71 1 +208 densidx sidechain A LEU 1165 A LEU 284 ? ? ? ? ? ? 0.61 1 +209 densidx sidechain A ILE 1166 A ILE 285 ? ? ? ? ? ? 0.31 1 +210 densidx sidechain A PRO 1167 A PRO 286 ? ? ? ? ? ? 0.64 1 +211 densidx sidechain A ILE 1168 A ILE 287 ? ? ? ? ? ? 0.35 1 +212 densidx sidechain A LEU 1169 A LEU 288 ? ? ? ? ? ? 0.69 1 +213 densidx sidechain A LYS 1170 A LYS 289 ? ? ? ? ? ? 0.36 1 +214 densidx sidechain A THR 1171 A THR 290 ? ? ? ? ? ? 0.62 1 +215 densidx sidechain A VAL 1172 A VAL 291 ? ? ? ? ? ? 0.36 1 +216 densidx sidechain A GLU 1174 A GLU 293 ? ? ? ? ? ? 0.60 1 +217 densidx sidechain A LYS 1175 A LYS 294 ? ? ? ? ? ? 0.52 1 +218 densidx sidechain A ARG 1177 A ARG 296 ? ? ? ? ? ? 0.52 1 +219 densidx sidechain A HIS 1178 A HIS 297 ? ? ? ? ? ? 0.45 1 +220 densidx sidechain A EDO 1204 E EDO 1 ? ? ? ? ? ? 0.48 1 +221 densidx sidechain A GOL 1205 F GOL 1 ? ? ? ? ? ? 0.78 1 +222 densidx sidechain A HOH 1302 H HOH 2 ? ? ? ? ? ? 0.75 1 +223 densidx sidechain A HOH 1304 H HOH 4 ? ? ? ? ? ? 0.60 1 +224 densidx sidechain A HOH 1305 H HOH 5 ? ? ? ? ? ? 0.35 1 +225 densidx sidechain A HOH 1306 H HOH 6 ? ? ? ? ? ? 0.52 1 +226 densidx sidechain A HOH 1308 H HOH 8 ? ? ? ? ? ? 0.39 1 +227 densidx sidechain A HOH 1309 H HOH 9 ? ? ? ? ? ? 0.42 1 +228 densidx sidechain A HOH 1310 H HOH 10 ? ? ? ? ? ? 0.71 1 +229 densidx sidechain A HOH 1311 H HOH 11 ? ? ? ? ? ? 0.72 1 +230 densidx sidechain A HOH 1312 H HOH 12 ? ? ? ? ? ? 0.45 1 +231 densidx sidechain A HOH 1313 H HOH 13 ? ? ? ? ? ? 0.40 1 +232 densidx sidechain A HOH 1314 H HOH 14 ? ? ? ? ? ? 0.50 1 +233 densidx sidechain A HOH 1316 H HOH 16 ? ? ? ? ? ? 0.29 1 +234 densidx sidechain A HOH 1317 H HOH 17 ? ? ? ? ? ? 0.74 1 +235 densidx sidechain A HOH 1318 H HOH 18 ? ? ? ? ? ? 0.60 1 +236 densidx sidechain A HOH 1319 H HOH 19 ? ? ? ? ? ? 0.28 1 +237 densidx sidechain A HOH 1320 H HOH 20 ? ? ? ? ? ? 0.65 1 +238 densidx sidechain A HOH 1321 H HOH 21 ? ? ? ? ? ? 0.50 1 +239 densidx sidechain A HOH 1322 H HOH 22 ? ? ? ? ? ? 0.42 1 +240 densidx sidechain A HOH 1323 H HOH 23 ? ? ? ? ? ? 0.40 1 +241 densidx sidechain A HOH 1324 H HOH 24 ? ? ? ? ? ? 0.20 1 +242 densidx sidechain A HOH 1325 H HOH 25 ? ? ? ? ? ? 0.04 1 +243 densidx sidechain A HOH 1326 H HOH 26 ? ? ? ? ? ? 0.48 1 +244 densidx sidechain A HOH 1327 H HOH 27 ? ? ? ? ? ? 0.42 1 +245 densidx sidechain A HOH 1328 H HOH 28 ? ? ? ? ? ? 0.71 1 +246 densidx sidechain A HOH 1329 H HOH 29 ? ? ? ? ? ? 0.26 1 +247 densidx sidechain A HOH 1330 H HOH 30 ? ? ? ? ? ? 0.37 1 +248 densidx sidechain A HOH 1331 H HOH 31 ? ? ? ? ? ? 0.07 1 +249 densidx sidechain A HOH 1332 H HOH 32 ? ? ? ? ? ? 0.50 1 +250 densidx sidechain A HOH 1333 H HOH 33 ? ? ? ? ? ? 0.24 1 +251 densidx sidechain A HOH 1334 H HOH 34 ? ? ? ? ? ? 0.25 1 +252 densidx sidechain A HOH 1335 H HOH 35 ? ? ? ? ? ? 0.69 1 +253 densidx sidechain A HOH 1336 H HOH 36 ? ? ? ? ? ? 0.11 1 +254 densidx sidechain A HOH 1337 H HOH 37 ? ? ? ? ? ? 0.49 1 +255 densidx sidechain A HOH 1338 H HOH 38 ? ? ? ? ? ? 0.46 1 +256 densidx sidechain A HOH 1339 H HOH 39 ? ? ? ? ? ? 0.34 1 +257 densidx sidechain A HOH 1340 H HOH 40 ? ? ? ? ? ? 0.35 1 +258 densidx sidechain A HOH 1341 H HOH 41 ? ? ? ? ? ? 0.74 1 +259 densidx sidechain A HOH 1342 H HOH 42 ? ? ? ? ? ? 0.53 1 +260 densidx sidechain A HOH 1343 H HOH 43 ? ? ? ? ? ? 0.74 1 +261 densidx sidechain A HOH 1344 H HOH 44 ? ? ? ? ? ? 0.28 1 +262 densidx sidechain A HOH 1345 H HOH 45 ? ? ? ? ? ? 0.34 1 +263 densidx sidechain A HOH 1346 H HOH 46 ? ? ? ? ? ? 0.63 1 +264 densidx sidechain A HOH 1347 H HOH 47 ? ? ? ? ? ? 0.48 1 +265 densidx sidechain A HOH 1348 H HOH 48 ? ? ? ? ? ? 0.71 1 +266 densidx sidechain A HOH 1349 H HOH 49 ? ? ? ? ? ? 0.66 1 +267 densidx sidechain A HOH 1350 H HOH 50 ? ? ? ? ? ? 0.69 1 +268 densidx sidechain A HOH 1351 H HOH 51 ? ? ? ? ? ? 0.70 1 +269 densidx sidechain A HOH 1352 H HOH 52 ? ? ? ? ? ? 0.66 1 +270 densidx sidechain A HOH 1353 H HOH 53 ? ? ? ? ? ? 0.05 1 +271 densidx sidechain A HOH 1354 H HOH 54 ? ? ? ? ? ? 0.58 1 +272 densidx sidechain A HOH 1355 H HOH 55 ? ? ? ? ? ? 0.24 1 +273 densidx sidechain A HOH 1356 H HOH 56 ? ? ? ? ? ? 0.46 1 +274 densidx sidechain A HOH 1357 H HOH 57 ? ? ? ? ? ? 0.14 1 +275 densidx sidechain A HOH 1358 H HOH 58 ? ? ? ? ? ? 0.22 1 +276 densidx sidechain A HOH 1359 H HOH 59 ? ? ? ? ? ? 0.04 1 +277 densidx sidechain A HOH 1360 H HOH 60 ? ? ? ? ? ? 0.56 1 +278 densidx sidechain A HOH 1361 H HOH 61 ? ? ? ? ? ? 0.51 1 +279 densidx sidechain A HOH 1362 H HOH 62 ? ? ? ? ? ? 0.03 1 +280 densidx sidechain A HOH 1363 H HOH 63 ? ? ? ? ? ? 0.44 1 +281 densidx sidechain A HOH 1364 H HOH 64 ? ? ? ? ? ? 0.44 1 +282 densidx sidechain A HOH 1365 H HOH 65 ? ? ? ? ? ? 0.00 1 +283 densidx sidechain A HOH 1366 H HOH 66 ? ? ? ? ? ? 0.74 1 +284 densidx sidechain A HOH 1367 H HOH 67 ? ? ? ? ? ? 0.42 1 +285 densidx sidechain A HOH 1368 H HOH 68 ? ? ? ? ? ? 0.53 1 +286 densidx sidechain A HOH 1369 H HOH 69 ? ? ? ? ? ? 0.59 1 +287 densidx sidechain A HOH 1370 H HOH 70 ? ? ? ? ? ? 0.71 1 +288 densidx sidechain A HOH 1371 H HOH 71 ? ? ? ? ? ? 0.23 1 +289 densidx sidechain A HOH 1372 H HOH 72 ? ? ? ? ? ? 0.24 1 +290 densidx sidechain A HOH 1373 H HOH 73 ? ? ? ? ? ? 0.33 1 +291 densidx sidechain A HOH 1374 H HOH 74 ? ? ? ? ? ? 0.35 1 +292 densidx sidechain A HOH 1375 H HOH 75 ? ? ? ? ? ? 0.62 1 +293 densidx sidechain A HOH 1376 H HOH 76 ? ? ? ? ? ? 0.41 1 +294 densidx sidechain A HOH 1377 H HOH 77 ? ? ? ? ? ? 0.40 1 +295 densidx sidechain A HOH 1378 H HOH 78 ? ? ? ? ? ? 0.39 1 +296 shift sidechain A LEU 913 A LEU 32 ? ? ? ? ? ? 4.64 1 +297 shift sidechain A GLU 947 A GLU 66 ? ? ? ? ? ? 1.63 1 +298 shift sidechain A ARG 952 A ARG 71 ? ? ? ? ? ? 4.03 1 +299 shift sidechain A GLN 975 A GLN 94 ? ? ? ? ? ? 1.97 1 +300 shift sidechain A GLN 1118 A GLN 237 ? ? ? ? ? ? 7.39 1 +301 connect ? A VAL 891 A VAL 10 ? ? ? ? ? ? 0.78 1 +302 connect ? A GLU 905 A GLU 24 ? ? ? ? ? ? 0.78 1 +303 connect ? A GLY 906 A GLY 25 ? ? ? ? ? ? 0.68 1 +304 connect ? A GLY 909 A GLY 28 ? ? ? ? ? ? 0.76 1 +305 connect ? A GLY 922 A GLY 41 ? ? ? ? ? ? 0.75 1 +306 connect ? A LEU 932 A LEU 51 ? ? ? ? ? ? 0.31 1 +307 connect ? A TRP 944 A TRP 63 ? ? ? ? ? ? 0.73 1 +308 connect ? A LYS 945 A LYS 64 ? ? ? ? ? ? 0.78 1 +309 connect ? A GLU 967 A GLU 86 ? ? ? ? ? ? 0.63 1 +310 connect ? A LEU 974 A LEU 93 ? ? ? ? ? ? 0.58 1 +311 connect ? A GLY 1113 A GLY 232 ? ? ? ? ? ? 0.56 1 +312 connect ? A ALA 1115 A ALA 234 ? ? ? ? ? ? 0.49 1 +313 connect ? A GLN 1116 A GLN 235 ? ? ? ? ? ? 0.74 1 +314 connect ? A GLY 1117 A GLY 236 ? ? ? ? ? ? 0.75 1 +315 connect ? A HIS 1178 A HIS 297 ? ? ? ? ? ? 0.58 1 +316 rsr sidechain A VAL 891 A VAL 10 ? ? ? ? ? ? 1.55 1 +317 rsr sidechain A ARG 895 A ARG 14 ? ? ? ? ? ? 0.53 1 +318 rsr sidechain A LEU 897 A LEU 16 ? ? ? ? ? ? 0.89 1 +319 rsr sidechain A LYS 898 A LYS 17 ? ? ? ? ? ? 0.47 1 +320 rsr sidechain A LYS 899 A LYS 18 ? ? ? ? ? ? 0.54 1 +321 rsr sidechain A ILE 900 A ILE 19 ? ? ? ? ? ? 0.47 1 +322 rsr sidechain A GLU 905 A GLU 24 ? ? ? ? ? ? 0.35 1 +323 rsr sidechain A LYS 910 A LYS 29 ? ? ? ? ? ? 0.54 1 +324 rsr sidechain A VAL 911 A VAL 30 ? ? ? ? ? ? 0.42 1 +325 rsr sidechain A TYR 914 A TYR 33 ? ? ? ? ? ? 0.38 1 +326 rsr sidechain A THR 919 A THR 38 ? ? ? ? ? ? 0.39 1 +327 rsr sidechain A ALA 928 A ALA 47 ? ? ? ? ? ? 0.50 1 +328 rsr sidechain A VAL 929 A VAL 48 ? ? ? ? ? ? 0.65 1 +329 rsr sidechain A LYS 930 A LYS 49 ? ? ? ? ? ? 0.52 1 +330 rsr sidechain A ALA 931 A ALA 50 ? ? ? ? ? ? 1.93 1 +331 rsr sidechain A TRP 944 A TRP 63 ? ? ? ? ? ? 0.80 1 +332 rsr sidechain A LYS 945 A LYS 64 ? ? ? ? ? ? 0.53 1 +333 rsr sidechain A ILE 950 A ILE 69 ? ? ? ? ? ? 0.39 1 +334 rsr sidechain A TYR 955 A TYR 74 ? ? ? ? ? ? 0.58 1 +335 rsr sidechain A ALA 1045 A ALA 164 ? ? ? ? ? ? 0.39 1 +336 rsr sidechain A GLU 1050 A GLU 169 ? ? ? ? ? ? 0.49 1 +337 rsr sidechain A ASP 1062 A ASP 181 ? ? ? ? ? ? 0.38 1 +338 rsr sidechain A ALA 1115 A ALA 234 ? ? ? ? ? ? 2.07 1 +339 rsr sidechain A GLN 1116 A GLN 235 ? ? ? ? ? ? 0.89 1 +340 rsr sidechain A GLN 1118 A GLN 237 ? ? ? ? ? ? 1.14 1 +341 rsr sidechain A HIS 1178 A HIS 297 ? ? ? ? ? ? 0.37 1 + +loop_ +_pdbx_unobs_or_zero_occ_residues.id +_pdbx_unobs_or_zero_occ_residues.pdb_model_num +_pdbx_unobs_or_zero_occ_residues.auth_asym_id +_pdbx_unobs_or_zero_occ_residues.auth_comp_id +_pdbx_unobs_or_zero_occ_residues.auth_seq_id +_pdbx_unobs_or_zero_occ_residues.label_asym_id +_pdbx_unobs_or_zero_occ_residues.label_comp_id +_pdbx_unobs_or_zero_occ_residues.label_seq_id +_pdbx_unobs_or_zero_occ_residues.occupancy_flag +_pdbx_unobs_or_zero_occ_residues.polymer_flag +1 1 A MET 882 A MET 1 1 Y +2 1 A GLY 883 A GLY 2 1 Y +3 1 A SER 884 A SER 3 1 Y +4 1 A PRO 885 A PRO 4 1 Y +5 1 A ALA 886 A ALA 5 1 Y +6 1 A SER 887 A SER 6 1 Y +7 1 A ASP 888 A ASP 7 1 Y +8 1 A PRO 889 A PRO 8 1 Y +9 1 A LYS 933 A LYS 52 1 Y +10 1 A ALA 934 A ALA 53 1 Y +11 1 A ASP 935 A ASP 54 1 Y +12 1 A CYS 936 A CYS 55 1 Y +13 1 A GLY 937 A GLY 56 1 Y +14 1 A PRO 938 A PRO 57 1 Y +15 1 A GLN 939 A GLN 58 1 Y +16 1 A HIS 940 A HIS 59 1 Y +17 1 A ARG 941 A ARG 60 1 Y +18 1 A SER 942 A SER 61 1 Y +19 1 A GLY 943 A GLY 62 1 Y +20 1 A ASP 968 A ASP 87 1 Y +21 1 A GLN 969 A GLN 88 1 Y +22 1 A GLY 970 A GLY 89 1 Y +23 1 A GLU 971 A GLU 90 1 Y +24 1 A LYS 972 A LYS 91 1 Y +25 1 A SER 973 A SER 92 1 Y +26 1 A HIS 1179 A HIS 298 1 Y +27 1 A HIS 1180 A HIS 299 1 Y +28 1 A HIS 1181 A HIS 300 1 Y +29 1 A HIS 1182 A HIS 301 1 Y +30 1 A HIS 1183 A HIS 302 1 Y + +loop_ +_pdbx_entity_name.entity_id +_pdbx_entity_name.name +_pdbx_entity_name.name_type +1 'Non-receptor tyrosine-protein kinase TYK2' RCSB_NAME +2 'SULFATE ION' RCSB_NAME +3 1,2-ETHANEDIOL RCSB_NAME +4 GLYCEROL RCSB_NAME +5 2,6-dichloro-N-(2-oxo-2,5-dihydropyridin-4-yl)benzamide RCSB_NAME +6 water RCSB_NAME + +loop_ +_pdbx_exptl_crystal_grow_comp.comp_id +_pdbx_exptl_crystal_grow_comp.crystal_id +_pdbx_exptl_crystal_grow_comp.comp_name +_pdbx_exptl_crystal_grow_comp.conc +_pdbx_exptl_crystal_grow_comp.conc_units +_pdbx_exptl_crystal_grow_comp.sol_id +1 ? 'ammonium sulfate' 2.000 M 1 +2 ? 'pH 5' ? ? 1 +3 ? 'VAPOR DIFFUSION' ? ? 1 +4 ? 'SITTING DROP' ? ? 1 +5 ? 'temperature 300K' ? ? 1 + +loop_ +_entity_name_com.entity_id +_entity_name_com.name +3 'ETHYLENE GLYCOL' +4 'GLYCERIN; PROPANE-1,2,3-TRIOL' + +_plop_project.project_code PDB +_plop_project.project_name ? + +_audit_contact_author.name rcsbuser +_audit_contact_author.email root@localhost + +loop_ +_chem_comp_atom.atom_id +_chem_comp_atom.comp_id +_chem_comp_atom.alt_atom_id +_chem_comp_atom.type_symbol +_chem_comp_atom.charge +_chem_comp_atom.pdbx_align +_chem_comp_atom.pdbx_aromatic_flag +_chem_comp_atom.pdbx_leaving_atom_flag +_chem_comp_atom.pdbx_stereo_config +_chem_comp_atom.model_cartn_x +_chem_comp_atom.model_cartn_y +_chem_comp_atom.model_cartn_z +_chem_comp_atom.pdbx_ordinal +_chem_comp_atom.mass_isotope +S SO4 S S 0 1 N N N 28.386 2.789 26.486 1 16 +O1 SO4 O1 O 0 1 N N N 29.382 3.597 27.187 2 8 +O2 SO4 O2 O 0 1 N N N 28.317 3.244 25.102 3 8 +O3 SO4 O3 O -1 1 N N N 28.779 1.375 26.537 4 8 +O4 SO4 O4 O -1 1 N N N 27.073 2.943 27.118 5 8 +C1 EDO C1 C 0 1 N N N 10.131 -25.215 9.012 1 6 +O1 EDO O1 O 0 1 N N N 9.489 -25.691 10.185 2 8 +C2 EDO C2 C 0 1 N N N 9.939 -26.226 7.865 3 6 +O2 EDO O2 O 0 1 N N N 10.424 -27.497 8.236 4 8 +C1 GOL C1 C 0 1 N N N 9.594 -32.695 10.928 1 6 +O1 GOL O1 O 0 1 N N N 9.163 -31.346 11.010 2 8 +C2 GOL C2 C 0 1 N N N 9.567 -33.347 12.290 3 6 +O2 GOL O2 O 0 1 N N N 10.429 -32.632 13.182 4 8 +C3 GOL C3 C 0 1 N N N 10.025 -34.784 12.184 5 6 +O3 GOL O3 O 0 1 N N N 9.949 -35.433 13.447 6 8 +C4 0X2 C4 C 0 1 Y N N 13.276 -13.062 22.034 1 6 +C5 0X2 C5 C 0 1 Y N N 12.137 -12.417 21.572 2 6 +C6 0X2 C6 C 0 1 Y N N 11.797 -12.461 20.218 3 6 +C11 0X2 C11 C 0 1 N N N 14.706 -12.992 27.739 4 6 +C7 0X2 C7 C 0 1 N N N 13.661 -12.930 23.477 5 6 +C8 0X2 C8 C 0 1 N N N 13.957 -14.025 25.664 6 6 +C9 0X2 C9 C 0 1 N N N 14.087 -15.277 26.290 7 6 +C10 0X2 C10 C 0 1 N N N 14.514 -15.348 27.632 8 6 +C12 0X2 C12 C 0 1 N N N 14.278 -12.875 26.411 9 6 +N1 0X2 N1 N 0 1 N N N 13.584 -13.990 24.299 10 7 +N2 0X2 N2 N 0 1 N N N 14.805 -14.223 28.319 11 7 +C3 0X2 C3 C 0 1 Y N N 14.119 -13.704 21.127 12 6 +O2 0X2 O2 O 0 1 N N N 15.011 -11.957 28.375 13 8 +O1 0X2 O1 O 0 1 N N N 14.014 -11.811 23.822 14 8 +CL2 0X2 CL2 Cl 0 0 N N N 15.608 -14.522 21.693 15 17 +C2 0X2 C2 C 0 1 Y N N 13.792 -13.751 19.769 16 6 +CL1 0X2 CL1 Cl 0 0 N N N 11.095 -11.555 22.740 17 17 +C1 0X2 C1 C 0 1 Y N N 12.628 -13.129 19.316 18 6 + +loop_ +_chem_comp_bond.atom_id_1 +_chem_comp_bond.atom_id_2 +_chem_comp_bond.comp_id +_chem_comp_bond.value_order +_chem_comp_bond.pdbx_aromatic_flag +_chem_comp_bond.pdbx_stereo_config +_chem_comp_bond.pdbx_ordinal +S O1 SO4 DOUB N N 1 +S O2 SO4 DOUB N N 2 +S O3 SO4 SING N N 3 +S O4 SO4 SING N N 4 +C1 O1 EDO SING N N 1 +C1 C2 EDO SING N N 2 +C2 O2 EDO SING N N 3 +C1 O1 GOL SING N N 1 +C1 C2 GOL SING N N 2 +C2 O2 GOL SING N N 3 +C2 C3 GOL SING N N 4 +C3 O3 GOL SING N N 5 +C4 C5 0X2 DOUB Y N 1 +C4 C7 0X2 SING N N 2 +C4 C3 0X2 SING Y N 3 +C5 C6 0X2 SING Y N 4 +C5 CL1 0X2 SING N N 5 +C6 C1 0X2 DOUB Y N 6 +C11 C12 0X2 SING N N 7 +C11 N2 0X2 SING N N 8 +C11 O2 0X2 DOUB N N 9 +C7 N1 0X2 SING N N 10 +C7 O1 0X2 DOUB N N 11 +C8 C9 0X2 SING N N 12 +C8 C12 0X2 DOUB N N 13 +C8 N1 0X2 SING N N 14 +C9 C10 0X2 DOUB N N 15 +C10 N2 0X2 SING N N 16 +C3 CL2 0X2 SING N N 17 +C3 C2 0X2 DOUB Y N 18 +C2 C1 0X2 SING Y N 19 + +loop_ +_pdbx_refine_component.label_alt_id +_pdbx_refine_component.label_asym_id +_pdbx_refine_component.label_comp_id +_pdbx_refine_component.label_seq_id +_pdbx_refine_component.auth_asym_id +_pdbx_refine_component.auth_comp_id +_pdbx_refine_component.auth_seq_id +_pdbx_refine_component.connect +_pdbx_refine_component.b_iso_main_chain +_pdbx_refine_component.b_iso_side_chain +_pdbx_refine_component.b_iso +_pdbx_refine_component.correlation_main_chain +_pdbx_refine_component.correlation_side_chain +_pdbx_refine_component.correlation +_pdbx_refine_component.density_index_main_chain +_pdbx_refine_component.density_index_side_chain +_pdbx_refine_component.density_index +_pdbx_refine_component.shift_main_chain +_pdbx_refine_component.shift_side_chain +_pdbx_refine_component.shift +_pdbx_refine_component.real_space_r_main_chain +_pdbx_refine_component.real_space_r_side_chain +_pdbx_refine_component.real_space_r +? A THR 890 A THR 890 0.825 77.825 88.153 82.251 0.993 0.907 0.970 0.815 0.155 0.400 0.006 0.028 0.015 0.018 0.305 0.062 +? A VAL 891 A VAL 891 0.783 78.670 84.623 81.221 0.957 0.534 0.916 0.590 0.001 0.033 0.044 0.056 0.049 0.145 1.555 0.261 +? A PHE 892 A PHE 892 0.934 74.515 73.543 73.896 0.965 0.955 0.952 0.742 0.555 0.617 0.062 0.043 0.050 0.106 0.025 0.062 +? A HIS 893 A HIS 893 0.811 73.667 84.163 79.965 0.967 0.962 0.965 0.797 0.434 0.554 0.034 0.025 0.029 0.126 0.133 0.129 +? A LYS 894 A LYS 894 0.883 73.295 92.730 84.092 0.989 0.807 0.962 0.832 0.204 0.381 0.008 0.298 0.169 0.130 0.218 0.154 +? A ARG 895 A ARG 895 0.985 77.198 121.531 105.410 0.995 0.608 0.928 0.924 0.006 0.038 0.021 0.147 0.101 0.054 0.527 0.191 +? A TYR 896 A TYR 896 1.092 72.408 83.904 80.072 0.980 0.932 0.954 0.916 0.343 0.476 0.012 0.289 0.197 0.105 0.304 0.203 +? A LEU 897 A LEU 897 1.050 67.025 67.780 67.403 0.968 0.564 0.913 1.014 0.004 0.061 0.042 0.061 0.051 0.107 0.886 0.253 +? A LYS 898 A LYS 898 1.430 62.920 89.312 77.582 0.981 0.850 0.933 1.286 0.210 0.470 0.302 0.185 0.237 0.054 0.467 0.192 +? A LYS 899 A LYS 899 1.264 61.528 77.936 70.643 0.979 0.850 0.917 1.167 0.256 0.502 0.038 0.041 0.040 0.126 0.543 0.271 +? A ILE 900 A ILE 900 1.298 62.657 65.097 63.877 0.978 0.808 0.933 1.125 0.040 0.212 0.058 0.090 0.074 0.168 0.469 0.266 +? A ARG 901 A ARG 901 0.948 63.852 79.561 73.849 0.958 0.933 0.947 0.815 0.533 0.622 0.017 0.116 0.080 0.288 0.280 0.284 +? A ASP 902 A ASP 902 1.039 65.040 80.153 72.596 0.987 0.960 0.976 0.965 0.663 0.800 0.070 0.005 0.037 0.206 0.300 0.247 +? A LEU 903 A LEU 903 1.119 63.007 61.935 62.471 0.989 0.886 0.962 1.059 0.051 0.232 0.007 0.056 0.032 0.120 0.297 0.176 +? A GLY 904 A GLY 904 0.912 65.492 ? 65.492 0.983 ? 0.983 0.848 ? 0.848 0.006 ? 0.006 0.174 ? 0.174 +? A GLU 905 A GLU 905 0.785 75.200 96.498 87.032 0.979 0.939 0.959 0.677 0.326 0.451 0.025 0.033 0.029 0.193 0.355 0.264 +? A GLY 906 A GLY 906 0.682 81.975 ? 81.975 0.951 ? 0.951 0.578 ? 0.578 0.018 ? 0.018 0.126 ? 0.126 +? A HIS 907 A HIS 907 1.201 86.420 87.800 87.248 0.988 0.876 0.959 1.104 0.002 0.009 0.025 0.169 0.133 0.094 0.075 0.089 +? A PHE 908 A PHE 908 0.832 87.630 97.890 94.159 0.974 0.947 0.959 0.740 0.254 0.375 0.125 0.867 0.597 0.093 0.241 0.158 +? A GLY 909 A GLY 909 0.757 74.635 ? 74.635 0.975 ? 0.975 0.731 ? 0.731 0.147 ? 0.147 0.094 ? 0.094 +? A LYS 910 A LYS 910 1.075 63.270 97.640 82.364 0.987 0.746 0.928 1.049 0.039 0.169 0.048 0.533 0.318 0.068 0.541 0.214 +? A VAL 911 A VAL 911 1.357 57.130 56.677 56.936 0.992 0.841 0.970 1.243 0.014 0.184 0.378 0.074 0.247 0.073 0.419 0.143 +? A SER 912 A SER 912 1.177 55.320 64.505 58.382 0.990 0.967 0.985 1.135 0.741 0.985 0.011 0.055 0.026 0.124 0.183 0.139 +? A LEU 913 A LEU 913 1.137 57.500 58.442 57.971 0.978 0.889 0.957 1.095 0.250 0.523 0.017 4.643 2.330 0.149 0.350 0.212 +? A TYR 914 A TYR 914 1.182 59.288 68.903 65.698 0.976 0.899 0.930 1.046 0.373 0.526 0.009 0.073 0.052 0.145 0.378 0.268 +? A CYS 915 A CYS 915 1.054 61.890 64.535 62.772 0.968 0.969 0.967 0.959 0.808 0.906 0.040 0.012 0.031 0.174 0.231 0.192 +? A TYR 916 A TYR 916 1.118 60.577 65.184 63.648 0.988 0.957 0.972 0.971 0.608 0.711 0.009 0.076 0.054 0.121 0.147 0.136 +? A ASP 917 A ASP 917 1.029 64.305 72.343 68.324 0.961 0.970 0.963 1.011 0.782 0.890 0.053 0.024 0.038 0.091 0.137 0.112 +? A PRO 918 A PRO 918 1.121 70.128 67.880 69.164 0.987 0.950 0.977 0.927 0.469 0.693 0.094 0.027 0.065 0.071 0.205 0.111 +? A THR 919 A THR 919 0.837 75.345 76.157 75.693 0.959 0.892 0.944 0.529 0.021 0.132 0.045 0.047 0.046 0.225 0.394 0.271 +? A ASN 920 A ASN 920 1.145 75.232 89.663 82.447 0.982 0.927 0.966 0.936 0.375 0.593 0.415 0.037 0.226 0.096 0.217 0.138 +? A ASP 921 A ASP 921 1.154 73.505 76.300 74.903 0.968 0.968 0.968 0.932 0.671 0.791 0.059 0.069 0.064 0.142 0.178 0.157 +? A GLY 922 A GLY 922 0.753 74.125 ? 74.125 0.973 ? 0.973 0.723 ? 0.723 0.017 ? 0.017 0.257 ? 0.257 +? A THR 923 A THR 923 1.200 69.052 82.817 74.951 0.979 0.920 0.966 0.988 0.317 0.607 0.018 0.106 0.056 0.130 0.260 0.165 +? A GLY 924 A GLY 924 0.941 62.795 ? 62.795 0.975 ? 0.975 0.910 ? 0.910 0.017 ? 0.017 0.107 ? 0.107 +? A GLU 925 A GLU 925 0.865 58.503 69.276 64.488 0.965 0.955 0.943 0.764 0.682 0.717 0.041 0.053 0.048 0.216 0.067 0.142 +? A MET 926 A MET 926 1.015 55.865 66.822 61.344 0.974 0.944 0.961 0.938 0.474 0.667 0.011 0.021 0.016 0.137 0.243 0.182 +? A VAL 927 A VAL 927 1.293 52.517 53.853 53.090 0.972 0.969 0.968 1.099 0.432 0.736 0.074 0.088 0.080 0.088 0.039 0.076 +? A ALA 928 A ALA 928 1.108 51.282 48.830 50.792 0.976 0.779 0.965 1.085 0.178 0.756 0.022 0.021 0.022 0.073 0.503 0.103 +? A VAL 929 A VAL 929 1.251 54.140 57.183 55.444 0.988 0.716 0.951 1.131 0.009 0.141 0.034 0.152 0.085 0.069 0.652 0.172 +? A LYS 930 A LYS 930 1.100 56.420 76.986 67.846 0.984 0.753 0.960 1.006 0.088 0.260 0.029 0.301 0.180 0.088 0.520 0.174 +? A ALA 931 A ALA 931 0.990 61.245 60.420 61.080 0.986 0.257 0.961 0.941 0.000 0.133 0.019 0.030 0.022 0.080 1.933 0.137 +? A LEU 932 A LEU 932 0.307 100.022 102.743 101.383 0.952 0.843 0.928 0.035 0.004 0.012 0.188 0.193 0.190 0.094 0.204 0.121 +? A TRP 944 A TRP 944 0.726 77.555 72.673 74.728 0.976 0.684 0.901 0.728 0.019 0.055 0.145 0.317 0.268 0.126 0.796 0.293 +? A LYS 945 A LYS 945 0.776 76.550 108.550 94.328 0.977 0.829 0.958 0.772 0.006 0.050 1.101 0.365 0.692 0.093 0.534 0.026 +? A GLN 946 A GLN 946 0.985 68.227 84.552 77.297 0.981 0.955 0.966 0.908 0.593 0.717 0.072 0.034 0.051 0.066 0.077 0.006 +? A GLU 947 A GLU 947 1.216 58.668 56.038 57.207 0.989 0.983 0.983 1.065 0.926 0.985 0.008 1.626 0.907 0.001 0.076 0.037 +? A ILE 948 A ILE 948 1.475 57.518 62.222 59.870 0.971 0.911 0.959 1.219 0.006 0.084 0.039 0.177 0.108 0.011 0.225 0.044 +? A ASP 949 A ASP 949 1.425 57.962 75.738 66.850 0.977 0.973 0.975 1.280 0.677 0.931 0.026 0.013 0.019 0.015 0.059 0.031 +? A ILE 950 A ILE 950 1.449 51.970 54.213 53.091 0.985 0.851 0.961 1.390 0.005 0.086 0.007 0.064 0.036 0.035 0.386 0.121 +? A LEU 951 A LEU 951 1.528 51.350 52.873 52.111 0.985 0.939 0.975 1.373 0.039 0.232 0.010 0.030 0.020 0.015 0.051 0.003 +? A ARG 952 A ARG 952 1.532 53.200 93.037 78.551 0.973 0.958 0.966 1.186 0.427 0.619 0.040 4.031 2.580 0.046 0.150 0.088 +? A THR 953 A THR 953 1.615 50.042 55.033 52.181 0.990 0.965 0.982 1.437 0.720 1.069 0.030 0.061 0.044 0.031 0.146 0.067 +? A LEU 954 A LEU 954 1.513 45.333 43.500 44.416 0.990 0.940 0.974 1.423 0.416 0.770 0.135 0.013 0.074 0.017 0.223 0.080 +? A TYR 955 A TYR 955 1.300 44.064 52.012 49.362 0.986 0.752 0.938 1.202 0.017 0.071 0.023 0.146 0.105 0.086 0.576 0.232 +? A HIS 956 A HIS 956 1.666 39.282 41.322 40.506 0.994 0.982 0.987 1.560 1.400 1.462 0.007 0.057 0.037 0.076 0.094 0.086 +? A GLU 957 A GLU 957 1.630 37.660 55.540 47.593 0.993 0.978 0.989 1.500 0.798 1.056 0.031 0.184 0.116 0.062 0.043 0.054 +? A HIS 958 A HIS 958 1.567 38.115 42.290 40.620 0.990 0.986 0.984 1.356 1.280 1.310 0.008 0.016 0.013 0.041 0.122 0.087 +? A ILE 959 A ILE 959 1.636 37.552 36.640 37.096 0.986 0.960 0.980 1.431 0.442 0.795 0.019 0.035 0.027 0.026 0.052 0.003 +? A ILE 960 A ILE 960 1.613 41.063 44.290 42.676 0.989 0.934 0.977 1.471 0.048 0.265 0.013 0.029 0.021 0.052 0.088 0.013 +? A LYS 961 A LYS 961 1.214 47.042 63.950 56.436 0.991 0.917 0.976 1.092 0.379 0.606 0.029 0.023 0.026 0.047 0.110 0.067 +? A TYR 962 A TYR 962 1.317 52.182 60.956 58.032 0.992 0.972 0.980 1.226 0.647 0.801 0.022 0.041 0.035 0.009 0.090 0.045 +? A LYS 963 A LYS 963 1.213 59.375 70.972 65.818 0.988 0.956 0.975 1.055 0.080 0.252 0.067 0.050 0.058 0.002 0.021 0.006 +? A GLY 964 A GLY 964 0.981 67.673 ? 67.673 0.976 ? 0.976 0.974 ? 0.974 0.022 ? 0.022 0.035 ? 0.035 +? A CYS 965 A CYS 965 0.922 76.482 79.455 77.473 0.979 0.958 0.962 0.842 0.421 0.669 0.738 0.063 0.513 0.047 0.291 0.107 +? A CYS 966 A CYS 966 0.942 77.507 76.900 77.305 0.963 0.980 0.969 0.752 0.845 0.782 0.062 0.010 0.044 0.101 0.049 0.084 +? A GLU 967 A GLU 967 0.633 96.380 115.332 106.909 0.983 0.897 0.955 0.559 0.229 0.340 1.491 0.112 0.725 0.056 0.064 0.007 +? A LEU 974 A LEU 974 0.584 80.353 84.377 82.365 0.966 0.944 0.950 0.485 0.024 0.109 0.405 0.305 0.355 0.044 0.051 0.046 +? A GLN 975 A GLN 975 1.112 70.335 89.364 80.907 0.971 0.887 0.942 0.881 0.275 0.461 0.015 1.967 1.100 0.025 0.287 0.119 +? A LEU 976 A LEU 976 1.225 59.312 60.355 59.834 0.994 0.949 0.983 1.154 0.052 0.244 0.049 0.043 0.046 0.004 0.056 0.012 +? A VAL 977 A VAL 977 1.227 52.135 56.877 54.167 0.983 0.937 0.976 1.183 0.265 0.623 0.004 0.032 0.016 0.029 0.131 0.051 +? A MET 978 A MET 978 1.331 46.770 48.505 47.638 0.979 0.959 0.971 1.146 0.681 0.884 1.053 0.092 0.572 0.024 0.084 0.049 +? A GLU 979 A GLU 979 1.325 43.637 51.632 48.079 0.985 0.971 0.978 1.198 0.817 0.968 0.008 0.041 0.026 0.027 0.011 0.010 +? A TYR 980 A TYR 980 1.449 56.417 62.197 60.271 0.982 0.949 0.956 1.177 0.693 0.827 0.008 0.004 0.005 0.016 0.199 0.124 +? A VAL 981 A VAL 981 1.412 53.166 50.318 51.946 0.989 0.937 0.978 1.273 0.023 0.226 0.027 0.059 0.041 0.008 0.079 0.022 +? A PRO 982 A PRO 982 1.436 56.522 57.910 57.117 0.980 0.906 0.965 1.126 0.475 0.778 0.010 0.135 0.063 0.080 0.234 0.120 +? A LEU 983 A LEU 983 1.241 52.035 51.415 51.725 0.982 0.925 0.969 1.104 0.211 0.483 0.055 0.030 0.043 0.055 0.150 0.081 +? A GLY 984 A GLY 984 0.940 48.657 ? 48.657 0.973 ? 0.973 0.888 ? 0.888 0.014 ? 0.014 0.085 ? 0.085 +? A SER 985 A SER 985 1.220 47.285 46.595 47.055 0.988 0.970 0.983 1.134 0.525 0.877 0.022 0.005 0.016 0.061 0.214 0.094 +? A LEU 986 A LEU 986 1.528 45.585 45.667 45.626 0.990 0.976 0.987 1.408 0.347 0.699 0.008 0.011 0.010 0.055 0.054 0.055 +? A ARG 987 A ARG 987 1.440 48.510 85.260 71.896 0.987 0.947 0.975 1.244 0.372 0.577 0.127 0.033 0.067 0.028 0.113 0.027 +? A ASP 988 A ASP 988 1.266 51.048 66.465 58.756 0.984 0.942 0.954 1.207 0.515 0.788 0.005 0.069 0.037 0.001 0.266 0.101 +? A TYR 989 A TYR 989 1.534 48.340 52.676 51.231 0.993 0.975 0.984 1.376 0.734 0.905 0.026 0.183 0.131 0.038 0.050 0.009 +? A LEU 990 A LEU 990 1.374 49.970 46.047 48.009 0.994 0.940 0.985 1.277 0.294 0.612 0.133 0.040 0.086 0.015 0.112 0.017 +? A PRO 991 A PRO 991 1.403 56.138 53.053 54.816 0.988 0.986 0.985 1.217 0.973 1.106 0.005 0.059 0.028 0.054 0.139 0.084 +? A ARG 992 A ARG 992 1.012 60.440 57.874 58.807 0.970 0.966 0.966 0.909 0.858 0.877 0.066 0.032 0.044 0.037 0.020 0.026 +? A HIS 993 A HIS 993 1.270 59.653 61.745 60.908 0.974 0.987 0.982 1.000 1.286 1.163 0.034 0.007 0.018 0.030 0.044 0.017 +? A SER 994 A SER 994 1.421 61.210 72.610 65.010 0.994 0.985 0.993 1.271 0.607 0.993 0.123 0.023 0.090 0.062 0.044 0.058 +? A ILE 995 A ILE 995 1.290 55.245 55.130 55.188 0.986 0.948 0.977 1.182 0.357 0.650 0.012 0.073 0.042 0.027 0.106 0.050 +? A GLY 996 A GLY 996 1.247 49.640 ? 49.640 0.986 ? 0.986 1.249 ? 1.249 0.066 ? 0.066 0.001 ? 0.001 +? A LEU 997 A LEU 997 1.555 44.048 48.618 46.333 0.992 0.917 0.972 1.437 0.231 0.576 0.032 0.018 0.025 0.009 0.232 0.080 +? A ALA 998 A ALA 998 1.536 39.095 40.590 39.394 0.981 0.881 0.976 1.430 0.330 1.067 0.056 0.021 0.049 0.019 0.331 0.043 +? A GLN 999 A GLN 999 1.743 38.090 58.322 49.330 0.991 0.979 0.985 1.593 0.661 0.977 0.017 0.120 0.074 0.033 0.064 0.005 +? A LEU 1000 A LEU 1000 1.847 33.652 37.517 35.585 0.993 0.972 0.989 1.760 0.655 1.074 0.035 0.020 0.028 0.084 0.028 0.067 +? A LEU 1001 A LEU 1001 1.892 32.155 34.710 33.433 0.991 0.952 0.982 1.649 0.453 0.864 0.007 0.156 0.082 0.059 0.104 0.010 +? A LEU 1002 A LEU 1002 1.474 32.960 36.062 34.511 0.988 0.968 0.984 1.328 0.499 0.814 0.064 0.102 0.083 0.023 0.105 0.049 +? A PHE 1003 A PHE 1003 1.489 32.620 39.844 37.217 0.993 0.979 0.987 1.420 0.861 1.033 0.011 0.133 0.089 0.034 0.001 0.017 +? A ALA 1004 A ALA 1004 1.747 29.350 29.450 29.370 0.991 0.985 0.991 1.622 0.565 1.314 0.006 0.083 0.021 0.096 0.048 0.092 +? A GLN 1005 A GLN 1005 1.631 30.155 42.336 36.922 0.993 0.980 0.988 1.479 0.799 1.050 0.040 0.016 0.027 0.048 0.015 0.021 +? A GLN 1006 A GLN 1006 1.607 32.038 38.998 35.904 0.995 0.991 0.990 1.455 1.117 1.256 0.033 0.012 0.022 0.041 0.106 0.072 +? A ILE 1007 A ILE 1007 1.625 32.650 32.277 32.464 0.994 0.977 0.989 1.421 0.420 0.772 0.083 0.006 0.045 0.058 0.066 0.060 +? A CYS 1008 A CYS 1008 1.620 30.453 31.230 30.712 0.991 0.994 0.989 1.492 1.662 1.547 0.006 0.005 0.006 0.015 0.079 0.037 +? A GLU 1009 A GLU 1009 1.578 30.083 42.488 36.974 0.991 0.987 0.987 1.428 1.006 1.176 0.027 0.025 0.026 0.006 0.060 0.024 +? A GLY 1010 A GLY 1010 1.452 30.718 ? 30.718 0.995 ? 0.995 1.391 ? 1.391 0.005 ? 0.005 0.035 ? 0.035 +? A MET 1011 A MET 1011 1.789 27.900 29.568 28.734 0.990 0.984 0.983 1.593 1.225 1.397 0.007 0.004 0.005 0.015 0.057 0.034 +? A ALA 1012 A ALA 1012 1.692 29.460 26.000 28.768 0.977 0.986 0.977 1.475 0.565 1.218 0.002 0.030 0.008 0.015 0.013 0.013 +? A TYR 1013 A TYR 1013 1.500 32.230 38.436 36.367 0.990 0.965 0.977 1.465 0.914 1.069 0.007 0.008 0.008 0.070 0.140 0.111 +? A LEU 1014 A LEU 1014 1.643 32.605 33.278 32.941 0.988 0.939 0.978 1.476 0.373 0.742 0.004 0.080 0.042 0.046 0.160 0.079 +? A HIS 1015 A HIS 1015 1.579 33.220 32.955 33.061 0.989 0.982 0.981 1.455 1.299 1.359 0.010 0.036 0.026 0.089 0.022 0.052 +? A SER 1016 A SER 1016 1.551 35.665 40.005 37.112 0.983 0.978 0.982 1.367 0.910 1.194 0.013 0.008 0.011 0.115 0.155 0.125 +? A GLN 1017 A GLN 1017 1.356 39.580 43.292 41.642 0.984 0.965 0.975 1.162 0.934 1.029 0.010 0.011 0.010 0.170 0.168 0.169 +? A HIS 1018 A HIS 1018 1.582 40.077 47.252 44.382 0.970 0.952 0.959 1.458 1.033 1.186 0.024 0.077 0.056 0.078 0.183 0.135 +? A TYR 1019 A TYR 1019 1.903 37.110 48.057 44.408 0.986 0.965 0.966 1.741 0.775 1.015 0.001 0.022 0.015 0.022 0.172 0.081 +? A ILE 1020 A ILE 1020 1.632 33.493 34.640 34.066 0.990 0.971 0.985 1.493 0.612 0.956 0.009 0.184 0.097 0.002 0.052 0.019 +? A HIS 1021 A HIS 1021 1.713 32.790 32.855 32.829 0.995 0.988 0.990 1.557 1.382 1.449 0.004 0.016 0.011 0.038 0.052 0.046 +? A ARG 1022 A ARG 1022 1.823 30.832 55.681 46.645 0.995 0.959 0.984 1.708 0.497 0.778 0.002 0.059 0.038 0.087 0.066 0.026 +? A ASN 1023 A ASN 1023 1.676 31.965 48.985 40.475 0.993 0.982 0.990 1.538 0.798 1.108 0.007 0.032 0.020 0.091 0.071 0.083 +? A LEU 1024 A LEU 1024 1.734 28.918 28.002 28.460 0.994 0.990 0.990 1.588 0.681 1.040 0.008 0.028 0.018 0.123 0.174 0.140 +? A ALA 1025 A ALA 1025 1.698 33.900 33.180 33.756 0.993 0.985 0.992 1.576 0.426 1.214 0.250 0.012 0.202 0.106 0.048 0.102 +? A ALA 1026 A ALA 1026 1.598 36.690 36.000 36.552 0.984 0.969 0.982 1.346 0.607 1.148 0.074 0.003 0.060 0.088 0.138 0.093 +? A ARG 1027 A ARG 1027 1.415 40.025 69.646 58.875 0.984 0.950 0.971 1.182 0.468 0.655 0.139 1.442 0.968 0.001 0.115 0.051 +? A ASN 1028 A ASN 1028 1.557 37.072 35.945 36.509 0.991 0.985 0.988 1.411 1.055 1.220 0.029 0.003 0.016 0.022 0.025 0.023 +? A VAL 1029 A VAL 1029 1.255 38.472 36.927 37.810 0.984 0.977 0.975 1.156 0.380 0.718 0.017 0.050 0.031 0.026 0.078 0.002 +? A LEU 1030 A LEU 1030 1.146 43.123 48.355 45.739 0.985 0.942 0.967 1.105 0.505 0.747 0.018 0.032 0.025 0.017 0.005 0.013 +? A LEU 1031 A LEU 1031 1.245 48.350 48.445 48.398 0.987 0.949 0.978 1.149 0.236 0.521 0.036 0.135 0.085 0.005 0.105 0.028 +? A ASP 1032 A ASP 1032 1.198 51.130 58.122 54.626 0.988 0.971 0.976 1.106 0.871 0.982 0.089 0.051 0.070 0.051 0.013 0.023 +? A ASN 1033 A ASN 1033 1.405 55.182 61.685 58.434 0.987 0.958 0.977 1.278 0.778 0.997 0.473 0.059 0.266 0.042 0.004 0.024 +? A ASP 1034 A ASP 1034 1.299 51.430 57.403 54.416 0.987 0.976 0.983 1.181 0.907 1.035 0.010 0.565 0.287 0.006 0.032 0.017 +? A ARG 1035 A ARG 1035 1.523 46.220 74.773 64.390 0.988 0.952 0.975 1.420 0.541 0.768 0.372 0.274 0.309 0.065 0.025 0.024 +? A LEU 1036 A LEU 1036 1.548 41.438 45.105 43.271 0.995 0.945 0.984 1.381 0.175 0.491 0.003 0.011 0.007 0.046 0.150 0.005 +? A VAL 1037 A VAL 1037 1.739 34.065 30.633 32.594 0.992 0.985 0.990 1.619 0.773 1.180 0.020 0.043 0.030 0.068 0.106 0.078 +? A LYS 1038 A LYS 1038 1.438 36.185 42.566 39.730 0.983 0.924 0.960 1.362 0.378 0.668 0.017 0.006 0.011 0.039 0.233 0.049 +? A ILE 1039 A ILE 1039 1.547 35.392 31.523 33.458 0.980 0.978 0.979 1.297 0.456 0.769 0.012 0.012 0.012 0.028 0.034 0.030 +? A GLY 1040 A GLY 1040 0.947 37.225 ? 37.225 0.975 ? 0.975 0.856 ? 0.856 0.005 ? 0.005 0.082 ? 0.082 +? A ASP 1041 A ASP 1041 1.391 39.595 44.390 41.992 0.997 0.992 0.995 1.299 1.117 1.204 0.009 0.041 0.025 0.034 0.033 0.034 +? A PHE 1042 A PHE 1042 1.518 41.487 44.394 43.337 0.989 0.941 0.969 1.458 0.619 0.846 0.008 0.028 0.021 0.027 0.134 0.050 +? A GLY 1043 A GLY 1043 1.305 44.225 ? 44.225 0.989 ? 0.989 1.246 ? 1.246 0.002 ? 0.002 0.076 ? 0.076 +? A LEU 1044 A LEU 1044 1.499 45.725 47.870 46.797 0.991 0.979 0.989 1.312 0.209 0.524 0.004 0.019 0.011 0.020 0.059 0.002 +? A ALA 1045 A ALA 1045 1.637 43.342 42.220 43.118 0.993 0.862 0.989 1.520 0.213 1.026 0.003 0.006 0.003 0.043 0.391 0.019 +? A LYS 1046 A LYS 1046 1.708 39.698 59.132 50.494 0.990 0.950 0.982 1.589 0.537 0.869 0.038 0.086 0.065 0.042 0.014 0.024 +? A ALA 1047 A ALA 1047 1.653 45.642 45.210 45.556 0.985 0.913 0.981 1.464 0.402 1.131 0.010 0.025 0.013 0.022 0.250 0.040 +? A VAL 1048 A VAL 1048 1.494 50.108 47.063 48.803 0.989 0.894 0.972 1.363 0.367 0.776 0.028 0.017 0.023 0.062 0.284 0.117 +? A PRO 1049 A PRO 1049 1.538 57.513 58.007 57.724 0.988 0.961 0.982 1.401 0.725 1.057 0.021 0.017 0.020 0.100 0.166 0.119 +? A GLU 1050 A GLU 1050 1.160 65.745 92.034 80.350 0.989 0.886 0.940 1.085 0.315 0.546 0.032 0.360 0.214 0.178 0.486 0.297 +? A GLY 1051 A GLY 1051 0.979 63.865 ? 63.865 0.968 ? 0.968 0.920 ? 0.920 0.269 ? 0.269 0.200 ? 0.200 +? A HIS 1052 A HIS 1052 1.383 56.363 65.598 61.904 0.980 0.971 0.969 1.244 0.739 0.910 0.019 0.045 0.035 0.096 0.227 0.162 +? A GLU 1053 A GLU 1053 1.298 49.175 77.476 64.898 0.981 0.947 0.956 1.168 0.479 0.712 0.007 0.125 0.072 0.122 0.330 0.206 +? A TYR 1054 A TYR 1054 1.602 43.050 49.130 47.103 0.984 0.970 0.975 1.458 0.905 1.061 0.006 0.021 0.016 0.049 0.122 0.091 +? A TYR 1055 A TYR 1055 1.463 40.340 46.962 44.755 0.985 0.981 0.983 1.366 0.891 1.027 0.104 0.220 0.181 0.059 0.059 0.059 +? A ARG 1056 A ARG 1056 1.540 40.460 66.376 56.952 0.985 0.976 0.982 1.393 0.627 0.838 0.002 0.011 0.008 0.011 0.042 0.026 +? A VAL 1057 A VAL 1057 1.293 43.702 40.493 42.327 0.981 0.971 0.976 1.272 0.439 0.806 0.028 0.018 0.023 0.017 0.057 0.026 +? A ARG 1058 A ARG 1058 1.173 54.987 82.300 72.368 0.978 0.964 0.967 1.021 0.558 0.695 0.093 0.051 0.067 0.022 0.197 0.102 +? A GLU 1059 A GLU 1059 1.332 51.915 51.516 51.693 0.982 0.981 0.980 1.121 0.942 1.018 0.014 0.029 0.022 0.084 0.124 0.104 +? A ASP 1060 A ASP 1060 1.146 53.590 54.230 53.910 0.976 0.983 0.978 1.022 0.769 0.887 0.578 0.014 0.296 0.017 0.032 0.024 +? A GLY 1061 A GLY 1061 0.909 59.310 ? 59.310 0.989 ? 0.989 0.853 ? 0.853 0.033 ? 0.033 0.010 ? 0.010 +? A ASP 1062 A ASP 1062 1.039 56.923 80.068 68.495 0.996 0.897 0.961 0.902 0.033 0.173 0.040 0.025 0.032 0.004 0.379 0.100 +? A SER 1063 A SER 1063 1.394 45.292 54.280 48.288 0.993 0.983 0.991 1.305 0.577 0.994 0.009 0.014 0.010 0.091 0.018 0.077 +? A PRO 1064 A PRO 1064 1.519 37.173 39.843 38.317 0.989 0.982 0.987 1.352 0.625 0.971 0.007 0.038 0.020 0.020 0.052 0.000 +? A VAL 1065 A VAL 1065 1.605 32.907 36.663 34.517 0.991 0.987 0.990 1.486 0.379 0.828 0.016 0.026 0.021 0.100 0.034 0.086 +? A PHE 1066 A PHE 1066 1.991 28.598 36.426 33.579 0.996 0.984 0.988 1.728 0.831 1.085 0.007 0.010 0.009 0.150 0.033 0.093 +? A TRP 1067 A TRP 1067 1.805 27.577 28.118 27.964 0.993 0.992 0.992 1.582 1.238 1.328 0.004 0.009 0.007 0.104 0.114 0.111 +? A TYR 1068 A TYR 1068 1.870 28.190 35.366 32.974 0.995 0.987 0.991 1.696 0.945 1.148 0.024 0.014 0.017 0.125 0.056 0.087 +? A ALA 1069 A ALA 1069 1.970 26.512 24.650 26.140 0.997 0.991 0.997 1.819 0.731 1.516 0.015 0.019 0.016 0.127 0.129 0.127 +? A PRO 1070 A PRO 1070 2.085 27.740 27.663 27.707 0.996 0.994 0.994 1.904 1.228 1.578 0.004 0.012 0.007 0.143 0.202 0.161 +? A GLU 1071 A GLU 1071 1.624 30.188 33.972 32.290 0.991 0.979 0.986 1.513 1.104 1.270 0.039 0.007 0.021 0.062 0.035 0.049 +? A CYS 1072 A CYS 1072 1.640 30.635 30.790 30.687 0.992 0.994 0.989 1.459 1.718 1.541 0.004 0.000 0.003 0.040 0.116 0.068 +? A LEU 1073 A LEU 1073 1.842 30.392 28.523 29.458 0.995 0.990 0.990 1.714 0.676 1.076 0.012 0.029 0.021 0.131 0.231 0.161 +? A LYS 1074 A LYS 1074 1.605 28.140 44.904 37.453 0.989 0.976 0.986 1.481 0.556 0.859 0.118 0.042 0.076 0.050 0.028 0.043 +? A GLU 1075 A GLU 1075 1.892 29.455 44.866 38.017 0.989 0.982 0.986 1.683 1.013 1.269 0.003 0.501 0.279 0.047 0.001 0.026 +? A TYR 1076 A TYR 1076 1.768 27.888 32.514 30.972 0.992 0.988 0.988 1.625 1.282 1.388 0.015 0.005 0.008 0.025 0.073 0.054 +? A LYS 1077 A LYS 1077 1.665 29.447 53.392 42.750 0.994 0.973 0.989 1.452 0.571 0.865 0.003 0.120 0.068 0.016 0.088 0.042 +? A PHE 1078 A PHE 1078 1.642 28.792 29.566 29.285 0.983 0.980 0.981 1.507 0.980 1.146 0.014 0.039 0.030 0.039 0.030 0.034 +? A TYR 1079 A TYR 1079 1.961 26.202 32.327 30.286 0.991 0.982 0.984 1.858 1.134 1.337 0.009 0.034 0.026 0.022 0.065 0.028 +? A TYR 1080 A TYR 1080 1.779 27.415 34.139 31.898 0.988 0.973 0.976 1.601 1.050 1.208 0.001 0.017 0.012 0.008 0.108 0.062 +? A ALA 1081 A ALA 1081 1.962 24.325 22.260 23.912 0.986 0.979 0.986 1.856 0.754 1.550 0.004 0.000 0.003 0.079 0.009 0.071 +? A SER 1082 A SER 1082 2.185 23.588 25.275 24.150 0.995 0.979 0.991 2.010 1.092 1.640 0.002 0.002 0.002 0.117 0.001 0.090 +? A ASP 1083 A ASP 1083 1.936 25.077 34.415 29.746 0.996 0.988 0.993 1.767 1.236 1.478 0.008 0.008 0.008 0.112 0.060 0.090 +? A VAL 1084 A VAL 1084 2.078 25.050 24.580 24.849 0.996 0.988 0.995 1.880 0.902 1.372 0.020 0.004 0.013 0.151 0.169 0.156 +? A TRP 1085 A TRP 1085 2.035 25.912 25.142 25.362 0.996 0.997 0.996 1.839 1.595 1.661 0.044 0.005 0.016 0.123 0.171 0.156 +? A SER 1086 A SER 1086 1.790 27.087 28.480 27.552 0.994 0.993 0.993 1.704 1.143 1.491 0.012 0.002 0.008 0.143 0.201 0.157 +? A PHE 1087 A PHE 1087 1.843 27.290 31.800 30.160 0.997 0.990 0.994 1.705 1.027 1.235 0.003 0.009 0.006 0.133 0.115 0.124 +? A GLY 1088 A GLY 1088 1.665 28.205 ? 28.205 0.993 ? 0.993 1.536 ? 1.536 0.015 ? 0.015 0.148 ? 0.148 +? A VAL 1089 A VAL 1089 1.859 28.507 29.110 28.766 0.995 0.974 0.992 1.728 0.643 1.131 0.015 0.004 0.011 0.141 0.164 0.147 +? A THR 1090 A THR 1090 1.925 27.828 34.723 30.783 0.994 0.994 0.994 1.746 0.789 1.243 0.010 0.014 0.012 0.152 0.152 0.152 +? A LEU 1091 A LEU 1091 1.801 27.315 26.123 26.719 0.995 0.995 0.994 1.736 0.750 1.141 0.028 0.018 0.023 0.160 0.196 0.171 +? A TYR 1092 A TYR 1092 1.864 30.728 35.395 33.839 0.995 0.987 0.991 1.715 1.177 1.335 0.028 0.010 0.016 0.122 0.101 0.110 +? A GLU 1093 A GLU 1093 1.859 33.287 31.156 32.103 0.997 0.989 0.993 1.709 1.112 1.346 0.057 0.020 0.037 0.144 0.112 0.129 +? A LEU 1094 A LEU 1094 1.906 34.737 36.570 35.654 0.993 0.976 0.989 1.655 0.452 0.865 0.013 0.039 0.026 0.140 0.056 0.115 +? A LEU 1095 A LEU 1095 1.870 36.200 37.032 36.616 0.994 0.977 0.990 1.656 0.640 1.029 0.054 0.037 0.046 0.139 0.086 0.122 +? A THR 1096 A THR 1096 1.688 38.622 40.587 39.464 0.991 0.989 0.991 1.535 0.694 1.092 0.011 0.012 0.011 0.105 0.067 0.094 +? A HIS 1097 A HIS 1097 1.565 42.665 45.485 44.357 0.987 0.992 0.990 1.468 1.354 1.398 0.008 0.015 0.012 0.084 0.107 0.098 +? A CYS 1098 A CYS 1098 1.791 46.828 44.070 45.908 0.992 0.992 0.992 1.551 1.708 1.601 0.004 0.001 0.003 0.139 0.140 0.139 +? A ASP 1099 A ASP 1099 1.634 53.213 64.597 58.905 0.995 0.993 0.994 1.419 1.074 1.234 0.008 0.024 0.016 0.134 0.176 0.152 +? A SER 1100 A SER 1100 1.465 57.048 68.045 60.713 0.989 0.987 0.989 1.201 0.590 0.948 0.061 0.020 0.047 0.061 0.038 0.056 +? A SER 1101 A SER 1101 1.643 58.230 68.560 61.673 0.995 0.974 0.993 1.410 0.578 1.047 0.006 0.012 0.008 0.069 0.019 0.060 +? A GLN 1102 A GLN 1102 1.398 49.240 72.792 62.324 0.981 0.927 0.966 1.242 0.573 0.808 0.044 0.027 0.035 0.082 0.066 0.076 +? A SER 1103 A SER 1103 1.526 46.088 53.060 48.412 0.981 0.941 0.973 1.294 0.467 0.921 0.237 0.018 0.164 0.067 0.109 0.034 +? A PRO 1104 A PRO 1104 1.555 44.890 43.690 44.376 0.991 0.993 0.991 1.366 0.770 1.068 0.010 0.059 0.031 0.050 0.111 0.067 +? A PRO 1105 A PRO 1105 1.409 48.795 49.997 49.310 0.978 0.927 0.966 1.069 0.368 0.677 0.034 0.028 0.031 0.032 0.261 0.089 +? A THR 1106 A THR 1106 1.286 48.170 54.013 50.674 0.990 0.961 0.983 1.219 0.548 0.865 0.024 0.031 0.027 0.016 0.054 0.004 +? A LYS 1107 A LYS 1107 1.466 47.805 60.220 54.702 0.989 0.940 0.981 1.331 0.316 0.599 0.016 0.037 0.027 0.101 0.147 0.112 +? A PHE 1108 A PHE 1108 1.395 50.798 49.291 49.839 0.989 0.979 0.983 1.177 0.754 0.886 0.051 0.017 0.029 0.080 0.148 0.115 +? A LEU 1109 A LEU 1109 1.530 60.758 62.057 61.408 0.987 0.940 0.975 1.315 0.216 0.533 0.157 0.150 0.154 0.129 0.086 0.074 +? A GLU 1110 A GLU 1110 1.162 72.638 88.902 81.673 0.974 0.963 0.970 0.879 0.422 0.585 0.035 0.067 0.053 0.078 0.019 0.041 +? A LEU 1111 A LEU 1111 0.803 78.180 77.817 77.999 0.959 0.937 0.952 0.665 0.030 0.142 0.019 0.117 0.068 0.038 0.136 0.002 +? A ILE 1112 A ILE 1112 0.844 85.157 84.725 84.941 0.957 0.937 0.954 0.608 0.017 0.101 0.510 0.093 0.301 0.038 0.007 0.033 +? A GLY 1113 A GLY 1113 0.562 91.640 ? 91.640 0.974 ? 0.974 0.489 ? 0.489 0.054 ? 0.054 0.135 ? 0.135 +? A ILE 1114 A ILE 1114 0.824 91.625 92.120 91.873 0.979 0.883 0.949 0.725 0.027 0.139 0.090 0.093 0.092 0.108 0.182 0.124 +? A ALA 1115 A ALA 1115 0.487 92.012 94.070 92.424 0.934 -0.235 0.883 0.485 0.000 0.078 0.054 0.210 0.085 0.323 2.070 0.396 +? A GLN 1116 A GLN 1116 0.744 87.517 119.612 105.348 0.983 0.318 0.849 0.677 0.004 0.042 0.089 0.073 0.080 0.152 0.887 0.357 +? A GLY 1117 A GLY 1117 0.747 79.530 ? 79.530 0.973 ? 0.973 0.615 ? 0.615 0.045 ? 0.045 0.174 ? 0.174 +? A GLN 1118 A GLN 1118 1.017 63.900 81.574 70.171 0.982 0.666 0.957 0.976 0.000 0.010 0.029 7.386 4.116 0.032 1.143 0.114 +? A MET 1119 A MET 1119 1.415 46.745 50.855 48.800 0.992 0.980 0.988 1.274 0.544 0.833 0.006 0.014 0.010 0.055 0.007 0.037 +? A THR 1120 A THR 1120 1.609 35.808 33.927 35.001 0.991 0.990 0.987 1.477 1.179 1.341 0.009 0.010 0.009 0.088 0.166 0.117 +? A VAL 1121 A VAL 1121 1.702 30.690 30.940 30.797 0.991 0.980 0.990 1.508 0.491 0.932 0.005 0.140 0.063 0.068 0.045 0.063 +? A LEU 1122 A LEU 1122 1.434 31.917 38.910 35.414 0.984 0.964 0.979 1.420 0.206 0.541 0.019 0.012 0.015 0.083 0.093 0.039 +? A ARG 1123 A ARG 1123 1.714 32.594 64.075 52.627 0.995 0.892 0.983 1.646 0.193 0.420 0.144 0.184 0.169 0.133 0.321 0.173 +? A LEU 1124 A LEU 1124 1.783 30.142 29.382 29.762 0.992 0.985 0.989 1.673 0.767 1.132 0.011 0.006 0.009 0.136 0.210 0.160 +? A THR 1125 A THR 1125 1.714 30.512 30.940 30.696 0.996 0.988 0.994 1.607 0.855 1.226 0.050 0.003 0.030 0.133 0.103 0.124 +? A GLU 1126 A GLU 1126 1.570 31.915 43.020 38.084 0.994 0.986 0.991 1.469 0.849 1.083 0.012 0.007 0.009 0.100 0.088 0.095 +? A LEU 1127 A LEU 1127 1.753 31.129 35.744 33.436 0.994 0.976 0.992 1.626 0.005 0.091 0.016 0.088 0.052 0.147 0.084 0.141 +? A LEU 1128 A LEU 1128 1.649 31.738 32.203 31.970 0.996 0.979 0.989 1.454 0.666 0.984 0.004 0.012 0.008 0.093 0.209 0.129 +? A GLU 1129 A GLU 1129 1.503 33.825 58.930 47.772 0.995 0.968 0.988 1.389 0.615 0.883 0.017 0.007 0.012 0.125 0.065 0.102 +? A ARG 1130 A ARG 1130 1.680 37.057 71.673 59.085 0.991 0.971 0.984 1.562 0.652 0.896 0.004 0.099 0.064 0.161 0.294 0.215 +? A GLY 1131 A GLY 1131 1.530 36.015 ? 36.015 0.996 ? 0.996 1.439 ? 1.439 0.026 ? 0.026 0.177 ? 0.177 +? A GLU 1132 A GLU 1132 1.668 33.910 70.408 54.187 0.993 0.985 0.991 1.595 0.545 0.879 0.033 0.029 0.031 0.149 0.179 0.158 +? A ARG 1133 A ARG 1133 1.688 31.205 30.524 30.772 0.996 0.994 0.993 1.640 1.239 1.372 0.011 0.021 0.017 0.154 0.220 0.191 +? A LEU 1134 A LEU 1134 1.848 30.745 32.538 31.641 0.995 0.970 0.989 1.836 0.406 0.864 0.011 0.039 0.025 0.202 0.082 0.173 +? A PRO 1135 A PRO 1135 1.922 34.007 36.953 35.270 0.991 0.991 0.991 1.664 0.819 1.228 0.008 0.024 0.015 0.126 0.112 0.122 +? A ARG 1136 A ARG 1136 1.733 36.621 49.846 45.037 0.992 0.951 0.977 1.586 0.584 0.840 0.008 0.185 0.121 0.098 0.010 0.047 +? A PRO 1137 A PRO 1137 1.796 42.438 39.557 41.203 0.989 0.976 0.986 1.648 0.868 1.252 0.010 0.007 0.009 0.078 0.042 0.068 +? A ASP 1138 A ASP 1138 1.600 50.708 71.753 61.230 0.994 0.964 0.984 1.528 0.527 0.897 0.004 0.069 0.036 0.097 0.068 0.047 +? A LYS 1139 A LYS 1139 1.658 50.075 80.822 67.157 0.993 0.962 0.989 1.500 0.344 0.662 0.017 0.043 0.032 0.083 0.009 0.063 +? A CYS 1140 A CYS 1140 1.627 42.972 39.440 41.795 0.990 0.983 0.985 1.566 1.392 1.506 0.130 0.002 0.087 0.013 0.062 0.029 +? A PRO 1141 A PRO 1141 1.914 39.923 42.193 40.896 0.989 0.965 0.983 1.823 0.955 1.382 0.006 0.090 0.042 0.022 0.091 0.013 +? A CYS 1142 A CYS 1142 1.681 37.700 43.380 39.593 0.980 0.979 0.980 1.500 1.357 1.451 0.010 0.001 0.007 0.027 0.044 0.032 +? A GLU 1143 A GLU 1143 1.628 31.968 45.162 39.298 0.987 0.974 0.982 1.503 0.907 1.135 0.010 0.014 0.012 0.003 0.060 0.029 +? A VAL 1144 A VAL 1144 1.823 29.403 32.957 30.926 0.992 0.973 0.988 1.661 0.582 1.060 0.006 0.009 0.007 0.055 0.055 0.028 +? A TYR 1145 A TYR 1145 1.920 26.880 31.739 30.119 0.989 0.987 0.988 1.788 1.205 1.375 0.046 0.009 0.021 0.084 0.086 0.085 +? A HIS 1146 A HIS 1146 1.858 28.052 30.802 29.702 0.990 0.984 0.986 1.599 1.337 1.436 0.006 0.006 0.006 0.060 0.025 0.041 +? A LEU 1147 A LEU 1147 1.760 29.287 36.145 32.716 0.984 0.932 0.973 1.667 0.036 0.246 0.005 0.009 0.007 0.072 0.180 0.008 +? A MET 1148 A MET 1148 2.065 25.665 28.952 27.309 0.995 0.991 0.993 1.900 1.224 1.525 0.003 0.017 0.010 0.134 0.111 0.124 +? A LYS 1149 A LYS 1149 1.897 25.423 27.520 26.588 0.994 0.992 0.990 1.796 1.041 1.326 0.010 0.049 0.032 0.104 0.191 0.139 +? A ASN 1150 A ASN 1150 1.903 25.803 30.003 27.903 0.994 0.984 0.990 1.707 1.202 1.433 0.026 0.010 0.018 0.101 0.121 0.109 +? A CYS 1151 A CYS 1151 1.897 26.017 26.610 26.215 0.992 0.990 0.991 1.740 1.507 1.659 0.016 0.002 0.011 0.132 0.104 0.123 +? A TRP 1152 A TRP 1152 1.921 24.890 22.903 23.471 0.988 0.994 0.991 1.858 1.525 1.614 0.152 0.004 0.046 0.114 0.170 0.151 +? A GLU 1153 A GLU 1153 2.009 26.445 37.306 32.479 0.994 0.985 0.991 1.823 1.189 1.438 0.019 0.234 0.138 0.141 0.140 0.141 +? A THR 1154 A THR 1154 1.998 27.815 32.853 29.974 0.993 0.997 0.994 1.844 0.954 1.390 0.041 0.018 0.031 0.131 0.160 0.139 +? A GLU 1155 A GLU 1155 1.881 27.938 59.932 45.712 0.994 0.984 0.991 1.708 0.673 1.018 0.006 0.018 0.013 0.075 0.013 0.043 +? A ALA 1156 A ALA 1156 1.711 27.370 26.050 27.106 0.993 0.953 0.992 1.515 0.398 1.159 0.004 0.008 0.005 0.015 0.156 0.003 +? A SER 1157 A SER 1157 1.834 26.678 30.810 28.055 0.991 0.992 0.991 1.655 1.122 1.454 0.004 0.003 0.004 0.025 0.008 0.021 +? A PHE 1158 A PHE 1158 1.781 24.510 26.741 25.930 0.985 0.993 0.986 1.494 1.195 1.296 0.009 0.087 0.059 0.059 0.142 0.105 +? A ARG 1159 A ARG 1159 1.870 24.305 23.060 23.513 0.993 0.992 0.989 1.716 1.413 1.516 0.011 0.003 0.006 0.054 0.133 0.099 +? A PRO 1160 A PRO 1160 2.061 25.827 25.987 25.896 0.996 0.987 0.994 1.850 1.018 1.432 0.008 0.038 0.021 0.085 0.068 0.080 +? A THR 1161 A THR 1161 1.849 29.595 34.123 31.536 0.994 0.989 0.993 1.677 0.907 1.289 0.010 0.003 0.007 0.057 0.050 0.055 +? A PHE 1162 A PHE 1162 1.897 29.327 28.049 28.514 0.992 0.984 0.988 1.737 1.155 1.339 0.009 0.009 0.009 0.085 0.042 0.061 +? A GLU 1163 A GLU 1163 1.788 33.404 51.529 43.473 0.996 0.945 0.986 1.621 0.122 0.385 0.006 0.074 0.044 0.090 0.096 0.042 +? A ASN 1164 A ASN 1164 1.811 34.210 53.340 43.775 0.987 0.983 0.981 1.730 0.706 1.105 0.002 0.025 0.014 0.131 0.005 0.090 +? A LEU 1165 A LEU 1165 1.898 32.798 33.365 33.081 0.994 0.983 0.992 1.728 0.605 1.023 0.005 0.055 0.030 0.106 0.100 0.104 +? A ILE 1166 A ILE 1166 1.669 33.105 34.182 33.644 0.991 0.952 0.982 1.575 0.310 0.699 0.034 0.297 0.166 0.051 0.155 0.003 +? A PRO 1167 A PRO 1167 1.736 35.462 36.590 35.946 0.990 0.973 0.985 1.500 0.635 1.038 0.018 0.055 0.034 0.050 0.066 0.020 +? A ILE 1168 A ILE 1168 1.733 37.002 40.990 38.996 0.991 0.981 0.989 1.646 0.354 0.764 0.004 0.037 0.021 0.072 0.002 0.054 +? A LEU 1169 A LEU 1169 1.682 37.120 38.848 37.984 0.988 0.989 0.984 1.489 0.694 1.016 0.025 0.003 0.014 0.065 0.139 0.090 +? A LYS 1170 A LYS 1170 1.556 38.755 49.880 44.936 0.986 0.885 0.965 1.355 0.360 0.649 0.008 0.007 0.007 0.015 0.175 0.042 +? A THR 1171 A THR 1171 1.721 40.205 44.062 41.858 0.990 0.975 0.987 1.475 0.620 1.017 0.046 0.021 0.035 0.022 0.019 0.011 +? A VAL 1172 A VAL 1172 1.897 40.100 41.947 40.891 0.989 0.946 0.981 1.700 0.362 0.876 0.004 0.024 0.012 0.045 0.159 0.002 +? A HIS 1173 A HIS 1173 1.373 43.840 46.438 45.399 0.976 0.976 0.973 1.143 1.102 1.118 0.023 0.022 0.022 0.107 0.032 0.065 +? A GLU 1174 A GLU 1174 1.462 48.425 75.262 63.334 0.984 0.973 0.977 1.368 0.598 0.864 0.020 0.017 0.018 0.061 0.182 0.108 +? A LYS 1175 A LYS 1175 1.476 50.510 62.182 56.994 0.987 0.965 0.978 1.363 0.524 0.802 0.047 0.042 0.044 0.066 0.206 0.118 +? A TYR 1176 A TYR 1176 1.467 55.410 53.961 54.444 0.985 0.975 0.980 1.325 1.030 1.120 0.011 0.021 0.017 0.099 0.094 0.096 +? A ARG 1177 A ARG 1177 1.386 62.398 97.566 84.777 0.989 0.948 0.974 1.294 0.523 0.727 0.021 0.143 0.099 0.083 0.191 0.133 +? A HIS 1178 A HIS 1178 0.583 104.192 113.347 109.685 0.954 0.967 0.957 0.548 0.448 0.485 0.136 0.131 0.133 0.282 0.367 0.331 +? B SO4 1201 A SO4 1201 ? ? 98.408 98.408 ? 0.993 0.993 ? 1.080 1.080 ? 0.013 0.013 ? 0.038 0.038 +? C SO4 1202 A SO4 1202 ? ? 61.402 61.402 ? 0.987 0.987 ? 1.540 1.540 ? 0.005 0.005 ? 0.014 0.014 +? D EDO 1203 A EDO 1203 ? ? 47.450 47.450 ? 0.978 0.978 ? 0.943 0.943 ? 0.024 0.024 ? 0.235 0.235 +? E EDO 1204 A EDO 1204 ? ? 54.938 54.938 ? 0.980 0.980 ? 0.481 0.481 ? 0.051 0.051 ? 0.028 0.028 +? F GOL 1205 A GOL 1205 ? ? 80.373 80.373 ? 0.977 0.977 ? 0.780 0.780 ? 0.077 0.077 ? 0.258 0.258 +? G 0X2 1206 A 0X2 1206 ? ? 56.174 56.174 ? 0.975 0.975 ? 0.846 0.846 ? 0.231 0.231 ? 0.141 0.141 +? H HOH 1301 A HOH 1301 ? ? 15.840 15.840 ? 1.000 1.000 ? 1.387 1.387 ? 0.001 0.001 ? 0.000 0.000 +? H HOH 1302 A HOH 1302 ? ? 26.020 26.020 ? 1.000 1.000 ? 0.748 0.748 ? 0.002 0.002 ? 0.000 0.000 +? H HOH 1303 A HOH 1303 ? ? 29.270 29.270 ? 1.000 1.000 ? 0.826 0.826 ? 0.003 0.003 ? 0.000 0.000 +? H HOH 1304 A HOH 1304 ? ? 27.330 27.330 ? 1.000 1.000 ? 0.599 0.599 ? 0.013 0.013 ? 0.000 0.000 +? H HOH 1305 A HOH 1305 ? ? 30.920 30.920 ? 1.000 1.000 ? 0.348 0.348 ? 0.032 0.032 ? 0.000 0.000 +? H HOH 1306 A HOH 1306 ? ? 29.510 29.510 ? 1.000 1.000 ? 0.515 0.515 ? 0.006 0.006 ? 0.000 0.000 +? H HOH 1307 A HOH 1307 ? ? 22.970 22.970 ? 1.000 1.000 ? 1.159 1.159 ? 0.001 0.001 ? 0.000 0.000 +? H HOH 1308 A HOH 1308 ? ? 35.970 35.970 ? 1.000 1.000 ? 0.391 0.391 ? 0.002 0.002 ? 0.000 0.000 +? H HOH 1309 A HOH 1309 ? ? 28.010 28.010 ? 1.000 1.000 ? 0.419 0.419 ? 0.008 0.008 ? 0.000 0.000 +? H HOH 1310 A HOH 1310 ? ? 42.370 42.370 ? 1.000 1.000 ? 0.711 0.711 ? 0.004 0.004 ? 0.000 0.000 +? H HOH 1311 A HOH 1311 ? ? 46.300 46.300 ? 1.000 1.000 ? 0.716 0.716 ? 0.002 0.002 ? 0.000 0.000 +? H HOH 1312 A HOH 1312 ? ? 22.930 22.930 ? 1.000 1.000 ? 0.445 0.445 ? 0.045 0.045 ? 0.000 0.000 +? H HOH 1313 A HOH 1313 ? ? 26.290 26.290 ? 1.000 1.000 ? 0.403 0.403 ? 0.001 0.001 ? 0.000 0.000 +? H HOH 1314 A HOH 1314 ? ? 27.250 27.250 ? 1.000 1.000 ? 0.497 0.497 ? 0.004 0.004 ? 0.000 0.000 +? H HOH 1315 A HOH 1315 ? ? 32.070 32.070 ? 1.000 1.000 ? 0.816 0.816 ? 0.000 0.000 ? 0.000 0.000 +? H HOH 1316 A HOH 1316 ? ? 45.340 45.340 ? 1.000 1.000 ? 0.292 0.292 ? 0.184 0.184 ? 0.000 0.000 +? H HOH 1317 A HOH 1317 ? ? 38.610 38.610 ? 1.000 1.000 ? 0.742 0.742 ? 0.007 0.007 ? 0.000 0.000 +? H HOH 1318 A HOH 1318 ? ? 38.700 38.700 ? 1.000 1.000 ? 0.596 0.596 ? 0.002 0.002 ? 0.000 0.000 +? H HOH 1319 A HOH 1319 ? ? 52.710 52.710 ? 1.000 1.000 ? 0.281 0.281 ? 0.016 0.016 ? 0.000 0.000 +? H HOH 1320 A HOH 1320 ? ? 27.010 27.010 ? 1.000 1.000 ? 0.655 0.655 ? 0.006 0.006 ? 0.000 0.000 +? H HOH 1321 A HOH 1321 ? ? 35.610 35.610 ? 1.000 1.000 ? 0.496 0.496 ? 0.003 0.003 ? 0.000 0.000 +? H HOH 1322 A HOH 1322 ? ? 41.900 41.900 ? 1.000 1.000 ? 0.423 0.423 ? 0.019 0.019 ? 0.000 0.000 +? H HOH 1323 A HOH 1323 ? ? 42.020 42.020 ? 1.000 1.000 ? 0.396 0.396 ? 0.007 0.007 ? 0.000 0.000 +? H HOH 1324 A HOH 1324 ? ? 53.890 53.890 ? 1.000 1.000 ? 0.197 0.197 ? 0.001 0.001 ? 0.000 0.000 +? H HOH 1325 A HOH 1325 ? ? 63.280 63.280 ? 1.000 1.000 ? 0.037 0.037 ? 0.004 0.004 ? 0.000 0.000 +? H HOH 1326 A HOH 1326 ? ? 32.720 32.720 ? 1.000 1.000 ? 0.482 0.482 ? 0.002 0.002 ? 0.000 0.000 +? H HOH 1327 A HOH 1327 ? ? 45.740 45.740 ? 1.000 1.000 ? 0.417 0.417 ? 0.003 0.003 ? 0.000 0.000 +? H HOH 1328 A HOH 1328 ? ? 20.640 20.640 ? 1.000 1.000 ? 0.707 0.707 ? 0.000 0.000 ? 0.000 0.000 +? H HOH 1329 A HOH 1329 ? ? 32.780 32.780 ? 1.000 1.000 ? 0.260 0.260 ? 0.009 0.009 ? 0.000 0.000 +? H HOH 1330 A HOH 1330 ? ? 36.200 36.200 ? 1.000 1.000 ? 0.371 0.371 ? 0.098 0.098 ? 0.000 0.000 +? H HOH 1331 A HOH 1331 ? ? 46.720 46.720 ? 1.000 1.000 ? 0.072 0.072 ? 0.001 0.001 ? 0.000 0.000 +? H HOH 1332 A HOH 1332 ? ? 36.100 36.100 ? 1.000 1.000 ? 0.496 0.496 ? 0.021 0.021 ? 0.000 0.000 +? H HOH 1333 A HOH 1333 ? ? 47.610 47.610 ? 1.000 1.000 ? 0.237 0.237 ? 0.001 0.001 ? 0.000 0.000 +? H HOH 1334 A HOH 1334 ? ? 46.470 46.470 ? 1.000 1.000 ? 0.253 0.253 ? 0.036 0.036 ? 0.000 0.000 +? H HOH 1335 A HOH 1335 ? ? 37.420 37.420 ? 1.000 1.000 ? 0.690 0.690 ? 0.001 0.001 ? 0.000 0.000 +? H HOH 1336 A HOH 1336 ? ? 53.560 53.560 ? 1.000 1.000 ? 0.107 0.107 ? 0.009 0.009 ? 0.000 0.000 +? H HOH 1337 A HOH 1337 ? ? 48.960 48.960 ? 1.000 1.000 ? 0.492 0.492 ? 0.001 0.001 ? 0.000 0.000 +? H HOH 1338 A HOH 1338 ? ? 33.520 33.520 ? 1.000 1.000 ? 0.460 0.460 ? 0.026 0.026 ? 0.000 0.000 +? H HOH 1339 A HOH 1339 ? ? 39.740 39.740 ? 1.000 1.000 ? 0.339 0.339 ? 0.016 0.016 ? 0.000 0.000 +? H HOH 1340 A HOH 1340 ? ? 66.400 66.400 ? 1.000 1.000 ? 0.354 0.354 ? 0.022 0.022 ? 0.000 0.000 +? H HOH 1341 A HOH 1341 ? ? 38.110 38.110 ? 1.000 1.000 ? 0.743 0.743 ? 0.002 0.002 ? 0.000 0.000 +? H HOH 1342 A HOH 1342 ? ? 45.660 45.660 ? 1.000 1.000 ? 0.529 0.529 ? 0.004 0.004 ? 0.000 0.000 +? H HOH 1343 A HOH 1343 ? ? 55.650 55.650 ? 1.000 1.000 ? 0.736 0.736 ? 0.000 0.000 ? 0.000 0.000 +? H HOH 1344 A HOH 1344 ? ? 50.910 50.910 ? 1.000 1.000 ? 0.275 0.275 ? 0.005 0.005 ? 0.000 0.000 +? H HOH 1345 A HOH 1345 ? ? 46.190 46.190 ? 1.000 1.000 ? 0.337 0.337 ? 0.002 0.002 ? 0.000 0.000 +? H HOH 1346 A HOH 1346 ? ? 46.480 46.480 ? 1.000 1.000 ? 0.633 0.633 ? 0.034 0.034 ? 0.000 0.000 +? H HOH 1347 A HOH 1347 ? ? 32.780 32.780 ? 1.000 1.000 ? 0.475 0.475 ? 0.003 0.003 ? 0.000 0.000 +? H HOH 1348 A HOH 1348 ? ? 27.510 27.510 ? 1.000 1.000 ? 0.706 0.706 ? 0.010 0.010 ? 0.000 0.000 +? H HOH 1349 A HOH 1349 ? ? 35.780 35.780 ? 1.000 1.000 ? 0.657 0.657 ? 0.001 0.001 ? 0.000 0.000 +? H HOH 1350 A HOH 1350 ? ? 46.410 46.410 ? 1.000 1.000 ? 0.692 0.692 ? 0.014 0.014 ? 0.000 0.000 +? H HOH 1351 A HOH 1351 ? ? 37.430 37.430 ? 1.000 1.000 ? 0.704 0.704 ? 0.004 0.004 ? 0.000 0.000 +? H HOH 1352 A HOH 1352 ? ? 29.710 29.710 ? 1.000 1.000 ? 0.664 0.664 ? 0.002 0.002 ? 0.000 0.000 +? H HOH 1353 A HOH 1353 ? ? 73.270 73.270 ? 1.000 1.000 ? 0.046 0.046 ? 0.033 0.033 ? 0.000 0.000 +? H HOH 1354 A HOH 1354 ? ? 47.470 47.470 ? 1.000 1.000 ? 0.585 0.585 ? 0.007 0.007 ? 0.000 0.000 +? H HOH 1355 A HOH 1355 ? ? 41.360 41.360 ? 1.000 1.000 ? 0.237 0.237 ? 0.004 0.004 ? 0.000 0.000 +? H HOH 1356 A HOH 1356 ? ? 49.860 49.860 ? 1.000 1.000 ? 0.458 0.458 ? 0.002 0.002 ? 0.000 0.000 +? H HOH 1357 A HOH 1357 ? ? 62.020 62.020 ? 1.000 1.000 ? 0.136 0.136 ? 0.008 0.008 ? 0.000 0.000 +? H HOH 1358 A HOH 1358 ? ? 73.050 73.050 ? 1.000 1.000 ? 0.220 0.220 ? 0.006 0.006 ? 0.000 0.000 +? H HOH 1359 A HOH 1359 ? ? 50.800 50.800 ? 1.000 1.000 ? 0.041 0.041 ? 0.288 0.288 ? 0.000 0.000 +? H HOH 1360 A HOH 1360 ? ? 54.160 54.160 ? 1.000 1.000 ? 0.558 0.558 ? 0.005 0.005 ? 0.000 0.000 +? H HOH 1361 A HOH 1361 ? ? 56.290 56.290 ? 1.000 1.000 ? 0.515 0.515 ? 0.001 0.001 ? 0.000 0.000 +? H HOH 1362 A HOH 1362 ? ? 65.680 65.680 ? 1.000 1.000 ? 0.027 0.027 ? 0.025 0.025 ? 0.000 0.000 +? H HOH 1363 A HOH 1363 ? ? 43.680 43.680 ? 1.000 1.000 ? 0.443 0.443 ? 0.010 0.010 ? 0.000 0.000 +? H HOH 1364 A HOH 1364 ? ? 46.350 46.350 ? 1.000 1.000 ? 0.442 0.442 ? 0.001 0.001 ? 0.000 0.000 +? H HOH 1365 A HOH 1365 ? ? 73.490 73.490 ? 1.000 1.000 ? 0.000 0.000 ? 0.196 0.196 ? 0.000 0.000 +? H HOH 1366 A HOH 1366 ? ? 40.820 40.820 ? 1.000 1.000 ? 0.735 0.735 ? 0.001 0.001 ? 0.000 0.000 +? H HOH 1367 A HOH 1367 ? ? 53.600 53.600 ? 1.000 1.000 ? 0.424 0.424 ? 0.008 0.008 ? 0.000 0.000 +? H HOH 1368 A HOH 1368 ? ? 37.610 37.610 ? 1.000 1.000 ? 0.529 0.529 ? 0.002 0.002 ? 0.000 0.000 +? H HOH 1369 A HOH 1369 ? ? 32.870 32.870 ? 1.000 1.000 ? 0.587 0.587 ? 0.001 0.001 ? 0.000 0.000 +? H HOH 1370 A HOH 1370 ? ? 39.930 39.930 ? 1.000 1.000 ? 0.707 0.707 ? 0.006 0.006 ? 0.000 0.000 +? H HOH 1371 A HOH 1371 ? ? 38.480 38.480 ? 1.000 1.000 ? 0.234 0.234 ? 0.026 0.026 ? 0.000 0.000 +? H HOH 1372 A HOH 1372 ? ? 37.730 37.730 ? 1.000 1.000 ? 0.239 0.239 ? 0.005 0.005 ? 0.000 0.000 +? H HOH 1373 A HOH 1373 ? ? 56.980 56.980 ? 1.000 1.000 ? 0.335 0.335 ? 0.183 0.183 ? 0.000 0.000 +? H HOH 1374 A HOH 1374 ? ? 46.910 46.910 ? 1.000 1.000 ? 0.354 0.354 ? 0.006 0.006 ? 0.000 0.000 +? H HOH 1375 A HOH 1375 ? ? 49.820 49.820 ? 1.000 1.000 ? 0.620 0.620 ? 0.000 0.000 ? 0.000 0.000 +? H HOH 1376 A HOH 1376 ? ? 29.830 29.830 ? 1.000 1.000 ? 0.414 0.414 ? 0.001 0.001 ? 0.000 0.000 +? H HOH 1377 A HOH 1377 ? ? 39.680 39.680 ? 1.000 1.000 ? 0.402 0.402 ? 0.022 0.022 ? 0.000 0.000 +? H HOH 1378 A HOH 1378 ? ? 49.140 49.140 ? 1.000 1.000 ? 0.393 0.393 ? 0.002 0.002 ? 0.000 0.000 + +loop_ +_atom_site.id +_atom_site.label_asym_id +_atom_site.auth_asym_id +_atom_site.label_seq_id +_atom_site.auth_seq_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.auth_comp_id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.auth_atom_id +_atom_site.occupancy +_atom_site.pdbx_formal_charge +_atom_site.label_entity_id +_atom_site.pdbx_auth_alt_id +_atom_site.B_iso_or_equiv +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.group_PDB +_atom_site.pdbx_PDB_model_num +_atom_site.pdbx_PDB_ins_code +1 A A 9 890 ? THR THR N N N 1 1 1 ? 76.88 10.58 -28.753 36.736 ATOM 1 ? +2 A A 9 890 ? THR THR C CA CA 1 ? 1 ? 77.31 9.791 -27.902 37.626 ATOM 1 ? +3 A A 9 890 ? THR THR C C C 1 ? 1 ? 79.77 8.451 -27.52 36.984 ATOM 1 ? +4 A A 9 890 ? THR THR O O O 1 ? 1 ? 77.34 8.426 -26.972 35.875 ATOM 1 ? +5 A A 9 890 ? THR THR C CB CB 1 ? 1 ? 87.35 10.617 -26.674 38.069 ATOM 1 ? +6 A A 9 890 ? THR THR O OG1 OG1 1 ? 1 ? 90.97 11.853 -27.122 38.633 ATOM 1 ? +7 A A 9 890 ? THR THR C CG2 CG2 1 ? 1 ? 86.14 9.882 -25.789 39.082 ATOM 1 ? +8 A A 10 891 ? VAL VAL N N N 1 ? 1 ? 77.35 7.341 -27.813 37.691 ATOM 1 ? +9 A A 10 891 ? VAL VAL C CA CA 1 ? 1 ? 77.18 5.986 -27.473 37.252 ATOM 1 ? +10 A A 10 891 ? VAL VAL C C C 1 ? 1 ? 79.27 5.602 -26.154 37.922 ATOM 1 ? +11 A A 10 891 ? VAL VAL O O O 1 ? 1 ? 80.88 5.509 -26.087 39.147 ATOM 1 ? +12 A A 10 891 ? VAL VAL C CB CB 1 ? 1 ? 84.34 4.956 -28.622 37.486 ATOM 1 ? +13 A A 10 891 ? VAL VAL C CG1 CG1 1 ? 1 ? 84.92 3.512 -28.129 37.374 ATOM 1 ? +14 A A 10 891 ? VAL VAL C CG2 CG2 1 ? 1 ? 84.61 5.199 -29.782 36.52 ATOM 1 ? +15 A A 11 892 ? PHE PHE N N N 1 ? 1 ? 73.02 5.445 -25.101 37.111 ATOM 1 ? +16 A A 11 892 ? PHE PHE C CA CA 1 ? 1 ? 72.08 5.079 -23.757 37.553 ATOM 1 ? +17 A A 11 892 ? PHE PHE C C C 1 ? 1 ? 76.63 3.561 -23.602 37.567 ATOM 1 ? +18 A A 11 892 ? PHE PHE O O O 1 ? 1 ? 76.33 2.871 -24.193 36.729 ATOM 1 ? +19 A A 11 892 ? PHE PHE C CB CB 1 ? 1 ? 71.58 5.694 -22.703 36.622 ATOM 1 ? +20 A A 11 892 ? PHE PHE C CG CG 1 ? 1 ? 72.07 7.168 -22.453 36.82 ATOM 1 ? +21 A A 11 892 ? PHE PHE C CD1 CD1 1 ? 1 ? 74.25 8.116 -23.34 36.32 ATOM 1 ? +22 A A 11 892 ? PHE PHE C CD2 CD2 1 ? 1 ? 73.98 7.614 -21.301 37.456 ATOM 1 ? +23 A A 11 892 ? PHE PHE C CE1 CE1 1 ? 1 ? 74.16 9.479 -23.105 36.501 ATOM 1 ? +24 A A 11 892 ? PHE PHE C CE2 CE2 1 ? 1 ? 75.72 8.98 -21.061 37.627 ATOM 1 ? +25 A A 11 892 ? PHE PHE C CZ CZ 1 ? 1 ? 73.04 9.903 -21.964 37.149 ATOM 1 ? +26 A A 12 893 ? HIS HIS N N N 1 ? 1 ? 73.57 3.045 -22.791 38.508 ATOM 1 ? +27 A A 12 893 ? HIS HIS C CA CA 1 ? 1 ? 74.17 1.612 -22.536 38.648 ATOM 1 ? +28 A A 12 893 ? HIS HIS C C C 1 ? 1 ? 74.79 1.256 -21.125 38.203 ATOM 1 ? +29 A A 12 893 ? HIS HIS O O O 1 ? 1 ? 72.14 1.766 -20.148 38.767 ATOM 1 ? +30 A A 12 893 ? HIS HIS C CB CB 1 ? 1 ? 77.6 1.134 -22.836 40.074 ATOM 1 ? +31 A A 12 893 ? HIS HIS C CG CG 1 ? 1 ? 82.68 1.458 -24.226 40.526 ATOM 1 ? +32 A A 12 893 ? HIS HIS N ND1 ND1 1 ? 1 ? 85.7 0.909 -25.335 39.905 ATOM 1 ? +33 A A 12 893 ? HIS HIS C CD2 CD2 1 ? 1 ? 85.3 2.277 -24.643 41.52 ATOM 1 ? +34 A A 12 893 ? HIS HIS C CE1 CE1 1 ? 1 ? 86.78 1.403 -26.385 40.541 ATOM 1 ? +35 A A 12 893 ? HIS HIS N NE2 NE2 1 ? 1 ? 86.92 2.228 -26.018 41.522 ATOM 1 ? +36 A A 13 894 ? LYS LYS N N N 1 ? 1 ? 71.42 0.386 -21.037 37.16 ATOM 1 ? +37 A A 13 894 ? LYS LYS C CA CA 1 ? 1 ? 70.12 -0.099 -19.805 36.521 ATOM 1 ? +38 A A 13 894 ? LYS LYS C C C 1 ? 1 ? 76.02 -0.699 -18.797 37.504 ATOM 1 ? +39 A A 13 894 ? LYS LYS O O O 1 ? 1 ? 75.62 -0.571 -17.592 37.277 ATOM 1 ? +40 A A 13 894 ? LYS LYS C CB CB 1 ? 1 ? 72.76 -1.079 -20.126 35.378 ATOM 1 ? +41 A A 13 894 ? LYS LYS C CG CG 1 ? 1 ? 86.92 -1.133 -19.049 34.291 ATOM 1 ? +42 A A 13 894 ? LYS LYS C CD CD 1 ? 1 ? 96.25 -1.911 -19.501 33.054 ATOM 1 ? +43 A A 13 894 ? LYS LYS C CE CE 1 ? 1 ? 101.07 -1.936 -18.44 31.977 ATOM 1 ? +44 A A 13 894 ? LYS LYS N NZ NZ 1 1 1 ? 106.65 -2.53 -18.942 30.707 ATOM 1 ? +45 A A 14 895 ? ARG ARG N N N 1 ? 1 ? 74.55 -1.322 -19.292 38.598 ATOM 1 ? +46 A A 14 895 ? ARG ARG C CA CA 1 ? 1 ? 76.29 -1.927 -18.505 39.68 ATOM 1 ? +47 A A 14 895 ? ARG ARG C C C 1 ? 1 ? 78.91 -0.93 -17.491 40.278 ATOM 1 ? +48 A A 14 895 ? ARG ARG O O O 1 ? 1 ? 79.04 -1.3 -16.341 40.534 ATOM 1 ? +49 A A 14 895 ? ARG ARG C CB CB 1 ? 1 ? 79.83 -2.463 -19.459 40.769 ATOM 1 ? +50 A A 14 895 ? ARG ARG C CG CG 1 ? 1 ? 95.67 -3.165 -18.796 41.957 ATOM 1 ? +51 A A 14 895 ? ARG ARG C CD CD 1 ? 1 ? 115.09 -3.992 -19.781 42.771 ATOM 1 ? +52 A A 14 895 ? ARG ARG N NE NE 1 ? 1 ? 131.41 -3.176 -20.684 43.592 ATOM 1 ? +53 A A 14 895 ? ARG ARG C CZ CZ 1 ? 1 ? 150.26 -2.882 -21.943 43.274 ATOM 1 ? +54 A A 14 895 ? ARG ARG N NH1 NH1 1 ? 1 ? 139.68 -3.326 -22.472 42.14 ATOM 1 ? +55 A A 14 895 ? ARG ARG N NH2 NH2 1 1 1 ? 138.78 -2.14 -22.683 44.087 ATOM 1 ? +56 A A 15 896 ? TYR TYR N N N 1 ? 1 ? 73.63 0.328 -17.918 40.481 ATOM 1 ? +57 A A 15 896 ? TYR TYR C CA CA 1 ? 1 ? 72.17 1.376 -17.069 41.047 ATOM 1 ? +58 A A 15 896 ? TYR TYR C C C 1 ? 1 ? 72.45 2.245 -16.394 39.989 ATOM 1 ? +59 A A 15 896 ? TYR TYR O O O 1 ? 1 ? 71.38 3.133 -15.604 40.321 ATOM 1 ? +60 A A 15 896 ? TYR TYR C CB CB 1 ? 1 ? 73.83 2.195 -17.839 42.087 ATOM 1 ? +61 A A 15 896 ? TYR TYR C CG CG 1 ? 1 ? 77.83 1.321 -18.535 43.106 ATOM 1 ? +62 A A 15 896 ? TYR TYR C CD1 CD1 1 ? 1 ? 81.51 0.619 -17.809 44.066 ATOM 1 ? +63 A A 15 896 ? TYR TYR C CD2 CD2 1 ? 1 ? 79.51 1.168 -19.917 43.093 ATOM 1 ? +64 A A 15 896 ? TYR TYR C CE1 CE1 1 ? 1 ? 84.68 -0.216 -18.442 44.983 ATOM 1 ? +65 A A 15 896 ? TYR TYR C CE2 CE2 1 ? 1 ? 83.26 0.354 -20.563 44.019 ATOM 1 ? +66 A A 15 896 ? TYR TYR C CZ CZ 1 ? 1 ? 92.83 -0.339 -19.821 44.961 ATOM 1 ? +67 A A 15 896 ? TYR TYR O OH OH 1 ? 1 ? 97.78 -1.149 -20.455 45.874 ATOM 1 ? +68 A A 16 897 ? LEU LEU N N N 1 ? 1 ? 67.41 1.937 -16.66 38.714 ATOM 1 ? +69 A A 16 897 ? LEU LEU C CA CA 1 ? 1 ? 65.51 2.618 -16.062 37.572 ATOM 1 ? +70 A A 16 897 ? LEU LEU C C C 1 ? 1 ? 67.66 1.842 -14.802 37.153 ATOM 1 ? +71 A A 16 897 ? LEU LEU O O O 1 ? 1 ? 67.52 0.675 -14.895 36.762 ATOM 1 ? +72 A A 16 897 ? LEU LEU C CB CB 1 ? 1 ? 64.85 2.705 -17.094 36.424 ATOM 1 ? +73 A A 16 897 ? LEU LEU C CG CG 1 ? 1 ? 68.05 3.981 -17.13 35.572 ATOM 1 ? +74 A A 16 897 ? LEU LEU C CD1 CD1 1 ? 1 ? 67.59 5.21 -17.459 36.395 ATOM 1 ? +75 A A 16 897 ? LEU LEU C CD2 CD2 1 ? 1 ? 70.63 3.853 -18.162 34.47 ATOM 1 ? +76 A A 17 898 ? LYS LYS N N N 1 ? 1 ? 62.49 2.477 -13.624 37.308 ATOM 1 ? +77 A A 17 898 ? LYS LYS C CA CA 1 ? 1 ? 62.35 1.912 -12.315 36.979 ATOM 1 ? +78 A A 17 898 ? LYS LYS C C C 1 ? 1 ? 63.97 2.801 -11.629 35.956 ATOM 1 ? +79 A A 17 898 ? LYS LYS O O O 1 ? 1 ? 62.87 3.976 -11.407 36.24 ATOM 1 ? +80 A A 17 898 ? LYS LYS C CB CB 1 ? 1 ? 66.61 1.787 -11.452 38.254 ATOM 1 ? +81 A A 17 898 ? LYS LYS C CG CG 1 ? 1 ? 79.98 1.315 -10.016 38.011 ATOM 1 ? +82 A A 17 898 ? LYS LYS C CD CD 1 ? 1 ? 90.03 1.639 -9.096 39.187 ATOM 1 ? +83 A A 17 898 ? LYS LYS C CE CE 1 ? 1 ? 99.33 2.388 -7.844 38.784 ATOM 1 ? +84 A A 17 898 ? LYS LYS N NZ NZ 1 1 1 ? 110.61 1.568 -6.928 37.946 ATOM 1 ? +85 A A 18 899 ? LYS LYS N N N 1 ? 1 ? 59.84 2.235 -11.265 34.784 ATOM 1 ? +86 A A 18 899 ? LYS LYS C CA CA 1 ? 1 ? 58.6 2.945 -10.597 33.682 ATOM 1 ? +87 A A 18 899 ? LYS LYS C C C 1 ? 1 ? 63.21 3.372 -9.176 34.058 ATOM 1 ? +88 A A 18 899 ? LYS LYS O O O 1 ? 1 ? 64.46 2.56 -8.415 34.583 ATOM 1 ? +89 A A 18 899 ? LYS LYS C CB CB 1 ? 1 ? 61.15 2.075 -10.583 32.405 ATOM 1 ? +90 A A 18 899 ? LYS LYS C CG CG 1 ? 1 ? 67.8 2.81 -10.159 31.133 ATOM 1 ? +91 A A 18 899 ? LYS LYS C CD CD 1 ? 1 ? 79.21 1.983 -9.189 30.309 ATOM 1 ? +92 A A 18 899 ? LYS LYS C CE CE 1 ? 1 ? 85.94 2.593 -8.9 28.959 ATOM 1 ? +93 A A 18 899 ? LYS LYS N NZ NZ 1 1 1 ? 95.58 1.702 -8.05 28.129 ATOM 1 ? +94 A A 19 900 ? ILE ILE N N N 1 ? 1 ? 59.08 4.643 -8.824 33.773 ATOM 1 ? +95 A A 19 900 ? ILE ILE C CA CA 1 ? 1 ? 59.85 5.207 -7.503 34.056 ATOM 1 ? +96 A A 19 900 ? ILE ILE C C C 1 ? 1 ? 65.34 5.25 -6.587 32.832 ATOM 1 ? +97 A A 19 900 ? ILE ILE O O O 1 ? 1 ? 66.36 4.722 -5.477 32.909 ATOM 1 ? +98 A A 19 900 ? ILE ILE C CB CB 1 ? 1 ? 62.08 6.516 -7.558 34.912 ATOM 1 ? +99 A A 19 900 ? ILE ILE C CG1 CG1 1 ? 1 ? 64.11 6.194 -7.462 36.418 ATOM 1 ? +100 A A 19 900 ? ILE ILE C CG2 CG2 1 ? 1 ? 62.53 7.502 -6.448 34.558 ATOM 1 ? +101 A A 19 900 ? ILE ILE C CD1 CD1 1 ? 1 ? 71.67 5.617 -8.671 37.049 ATOM 1 ? +102 A A 20 901 ? ARG ARG N N N 1 ? 1 ? 61.9 5.874 -7.044 31.711 ATOM 1 ? +103 A A 20 901 ? ARG ARG C CA CA 1 ? 1 ? 62.44 5.985 -6.273 30.463 ATOM 1 ? +104 A A 20 901 ? ARG ARG C C C 1 ? 1 ? 66.24 6.48 -7.102 29.268 ATOM 1 ? +105 A A 20 901 ? ARG ARG O O O 1 ? 1 ? 64.83 7.302 -8.001 29.441 ATOM 1 ? +106 A A 20 901 ? ARG ARG C CB CB 1 ? 1 ? 62.99 6.748 -4.935 30.673 ATOM 1 ? +107 A A 20 901 ? ARG ARG C CG CG 1 ? 1 ? 63.75 8.13 -4.799 30.07 ATOM 1 ? +108 A A 20 901 ? ARG ARG C CD CD 1 ? 1 ? 70.72 8.055 -3.832 28.923 ATOM 1 ? +109 A A 20 901 ? ARG ARG N NE NE 1 ? 1 ? 82.82 9.32 -3.14 28.704 ATOM 1 ? +110 A A 20 901 ? ARG ARG C CZ CZ 1 ? 1 ? 99.98 9.608 -1.937 29.186 ATOM 1 ? +111 A A 20 901 ? ARG ARG N NH1 NH1 1 ? 1 ? 89.46 8.726 -1.282 29.932 ATOM 1 ? +112 A A 20 901 ? ARG ARG N NH2 NH2 1 1 1 ? 87.21 10.779 -1.377 28.925 ATOM 1 ? +113 A A 21 902 ? ASP ASP N N N 1 ? 1 ? 64.47 5.954 -6.806 28.064 ATOM 1 ? +114 A A 21 902 ? ASP ASP C CA CA 1 ? 1 ? 63.77 6.275 -7.505 26.811 ATOM 1 ? +115 A A 21 902 ? ASP ASP C C C 1 ? 1 ? 65.82 7.711 -7.304 26.326 ATOM 1 ? +116 A A 21 902 ? ASP ASP O O O 1 ? 1 ? 66.1 8.239 -6.191 26.377 ATOM 1 ? +117 A A 21 902 ? ASP ASP C CB CB 1 ? 1 ? 67.43 5.293 -7.108 25.692 ATOM 1 ? +118 A A 21 902 ? ASP ASP C CG CG 1 ? 1 ? 81.63 3.935 -7.777 25.776 ATOM 1 ? +119 A A 21 902 ? ASP ASP O OD1 OD1 1 ? 1 ? 81.27 3.888 -9.028 25.778 ATOM 1 ? +120 A A 21 902 ? ASP ASP O OD2 OD2 1 -1 1 ? 90.28 2.914 -7.05 25.8 ATOM 1 ? +121 A A 22 903 ? LEU LEU N N N 1 ? 1 ? 60.92 8.32 -8.387 25.812 ATOM 1 ? +122 A A 22 903 ? LEU LEU C CA CA 1 ? 1 ? 60.52 9.679 -8.382 25.257 ATOM 1 ? +123 A A 22 903 ? LEU LEU C C C 1 ? 1 ? 65.12 9.643 -8.453 23.724 ATOM 1 ? +124 A A 22 903 ? LEU LEU O O O 1 ? 1 ? 65.47 10.414 -7.76 23.058 ATOM 1 ? +125 A A 22 903 ? LEU LEU C CB CB 1 ? 1 ? 58.54 10.518 -9.538 25.835 ATOM 1 ? +126 A A 22 903 ? LEU LEU C CG CG 1 ? 1 ? 62.45 10.585 -9.646 27.361 ATOM 1 ? +127 A A 22 903 ? LEU LEU C CD1 CD1 1 ? 1 ? 61.5 10.746 -11.081 27.783 ATOM 1 ? +128 A A 22 903 ? LEU LEU C CD2 CD2 1 ? 1 ? 65.25 11.71 -8.805 27.929 ATOM 1 ? +129 A A 23 904 ? GLY GLY N N N 1 ? 1 ? 62.38 8.741 -9.28 23.191 ATOM 1 ? +130 A A 23 904 ? GLY GLY C CA CA 1 ? 1 ? 63.89 8.551 -9.455 21.754 ATOM 1 ? +131 A A 23 904 ? GLY GLY C C C 1 ? 1 ? 69.17 8.11 -10.848 21.354 ATOM 1 ? +132 A A 23 904 ? GLY GLY O O O 1 ? 1 ? 66.53 7.676 -11.64 22.197 ATOM 1 ? +133 A A 24 905 ? GLU GLU N N N 1 ? 1 ? 70 8.223 -11.145 20.05 ATOM 1 ? +134 A A 24 905 ? GLU GLU C CA CA 1 ? 1 ? 70.99 7.895 -12.442 19.448 ATOM 1 ? +135 A A 24 905 ? GLU GLU C C C 1 ? 1 ? 79.07 8.894 -12.808 18.36 ATOM 1 ? +136 A A 24 905 ? GLU GLU O O O 1 ? 1 ? 80.74 9.444 -11.916 17.709 ATOM 1 ? +137 A A 24 905 ? GLU GLU C CB CB 1 ? 1 ? 73.52 6.433 -12.537 18.972 ATOM 1 ? +138 A A 24 905 ? GLU GLU C CG CG 1 ? 1 ? 87.68 5.862 -11.303 18.293 ATOM 1 ? +139 A A 24 905 ? GLU GLU C CD CD 1 ? 1 ? 110.23 4.346 -11.233 18.331 ATOM 1 ? +140 A A 24 905 ? GLU GLU O OE1 OE1 1 ? 1 ? 105.01 3.69 -12.106 17.716 ATOM 1 ? +141 A A 24 905 ? GLU GLU O OE2 OE2 1 -1 1 ? 106.05 3.811 -10.298 18.969 ATOM 1 ? +142 A A 25 906 ? GLY GLY N N N 1 ? 1 ? 77.11 9.168 -14.107 18.221 ATOM 1 ? +143 A A 25 906 ? GLY GLY C CA CA 1 ? 1 ? 78.4 10.155 -14.621 17.277 ATOM 1 ? +144 A A 25 906 ? GLY GLY C C C 1 ? 1 ? 85.4 9.632 -15.491 16.156 ATOM 1 ? +145 A A 25 906 ? GLY GLY O O O 1 ? 1 ? 86.99 9.799 -15.15 14.979 ATOM 1 ? +146 A A 26 907 ? HIS HIS N N N 1 ? 1 ? 82.22 9.052 -16.644 16.511 ATOM 1 ? +147 A A 26 907 ? HIS HIS C CA CA 1 ? 1 ? 83.85 8.464 -17.558 15.531 ATOM 1 ? +148 A A 26 907 ? HIS HIS C C C 1 ? 1 ? 89.86 6.926 -17.595 15.778 ATOM 1 ? +149 A A 26 907 ? HIS HIS O O O 1 ? 1 ? 89.75 6.307 -18.64 16.008 ATOM 1 ? +150 A A 26 907 A HIS HIS C CB CB 0.5 ? 1 A 83.67 9.142 -18.943 15.556 ATOM 1 ? +151 A A 26 907 B HIS HIS C CB CB 0.5 ? 1 B 83.77 9.127 -18.951 15.64 ATOM 1 ? +152 A A 26 907 A HIS HIS C CG CG 0.5 ? 1 A 88.56 8.79 -19.801 14.378 ATOM 1 ? +153 A A 26 907 B HIS HIS C CG CG 0.5 ? 1 B 85.71 8.956 -19.612 16.976 ATOM 1 ? +154 A A 26 907 A HIS HIS N ND1 ND1 0.5 ? 1 A 91.92 9.137 -19.438 13.087 ATOM 1 ? +155 A A 26 907 B HIS HIS N ND1 ND1 0.5 ? 1 B 85.87 9.588 -19.131 18.107 ATOM 1 ? +156 A A 26 907 A HIS HIS C CD2 CD2 0.5 ? 1 A 90.69 8.132 -20.982 14.336 ATOM 1 ? +157 A A 26 907 B HIS HIS C CD2 CD2 0.5 ? 1 B 87.68 8.216 -20.694 17.315 ATOM 1 ? +158 A A 26 907 A HIS HIS C CE1 CE1 0.5 ? 1 A 92.66 8.662 -20.394 12.306 ATOM 1 ? +159 A A 26 907 B HIS HIS C CE1 CE1 0.5 ? 1 B 84.63 9.22 -19.933 19.092 ATOM 1 ? +160 A A 26 907 A HIS HIS N NE2 NE2 0.5 ? 1 A 92.36 8.061 -21.35 13.013 ATOM 1 ? +161 A A 26 907 B HIS HIS N NE2 NE2 0.5 ? 1 B 86.08 8.394 -20.887 18.664 ATOM 1 ? +162 A A 27 908 ? PHE PHE N N N 1 ? 1 ? 87.27 6.333 -16.379 15.76 ATOM 1 ? +163 A A 27 908 ? PHE PHE C CA CA 1 ? 1 ? 87.67 4.927 -16.056 16.036 ATOM 1 ? +164 A A 27 908 ? PHE PHE C C C 1 ? 1 ? 87.3 4.48 -16.275 17.506 ATOM 1 ? +165 A A 27 908 ? PHE PHE O O O 1 ? 1 ? 88.28 3.398 -15.823 17.898 ATOM 1 ? +166 A A 27 908 ? PHE PHE C CB CB 1 ? 1 ? 92.19 3.947 -16.539 14.938 ATOM 1 ? +167 A A 27 908 ? PHE PHE C CG CG 1 ? 1 ? 94.74 3.128 -17.788 15.18 ATOM 1 ? +168 A A 27 908 ? PHE PHE C CD1 CD1 1 ? 1 ? 98.5 3.556 -19.023 14.703 ATOM 1 ? +169 A A 27 908 ? PHE PHE C CD2 CD2 1 ? 1 ? 97.99 1.875 -17.713 15.782 ATOM 1 ? +170 A A 27 908 ? PHE PHE C CE1 CE1 1 ? 1 ? 100.27 2.783 -20.172 14.898 ATOM 1 ? +171 A A 27 908 ? PHE PHE C CE2 CE2 1 ? 1 ? 101.64 1.104 -18.862 15.978 ATOM 1 ? +172 A A 27 908 ? PHE PHE C CZ CZ 1 ? 1 ? 99.9 1.561 -20.083 15.53 ATOM 1 ? +173 A A 28 909 ? GLY GLY N N N 1 ? 1 ? 78.53 5.362 -16.888 18.306 ATOM 1 ? +174 A A 28 909 ? GLY GLY C CA CA 1 ? 1 ? 74.96 5.183 -17.117 19.735 ATOM 1 ? +175 A A 28 909 ? GLY GLY C C C 1 ? 1 ? 73.08 5.748 -15.952 20.52 ATOM 1 ? +176 A A 28 909 ? GLY GLY O O O 1 ? 1 ? 71.97 6.906 -15.58 20.319 ATOM 1 ? +177 A A 29 910 ? LYS LYS N N N 1 ? 1 ? 66.4 4.926 -15.361 21.411 ATOM 1 ? +178 A A 29 910 ? LYS LYS C CA CA 1 ? 1 ? 64.31 5.265 -14.176 22.203 ATOM 1 ? +179 A A 29 910 ? LYS LYS C C C 1 ? 1 ? 62.42 6 -14.479 23.522 ATOM 1 ? +180 A A 29 910 ? LYS LYS O O O 1 ? 1 ? 59.95 5.659 -15.437 24.222 ATOM 1 ? +181 A A 29 910 ? LYS LYS C CB CB 1 ? 1 ? 67.95 4.004 -13.306 22.423 ATOM 1 ? +182 A A 29 910 ? LYS LYS C CG CG 1 ? 1 ? 86.09 4.238 -11.957 23.123 ATOM 1 ? +183 A A 29 910 ? LYS LYS C CD CD 1 ? 1 ? 99.68 3.5 -10.78 22.463 ATOM 1 ? +184 A A 29 910 ? LYS LYS C CE CE 1 ? 1 ? 113.94 2.04 -10.642 22.852 ATOM 1 ? +185 A A 29 910 ? LYS LYS N NZ NZ 1 1 1 ? 120.54 1.859 -10.225 24.27 ATOM 1 ? +186 A A 30 911 ? VAL VAL N N N 1 ? 1 ? 56.65 7.004 -13.639 23.849 ATOM 1 ? +187 A A 30 911 ? VAL VAL C CA CA 1 ? 1 ? 54.79 7.799 -13.735 25.077 ATOM 1 ? +188 A A 30 911 ? VAL VAL C C C 1 ? 1 ? 58.34 7.529 -12.516 25.956 ATOM 1 ? +189 A A 30 911 ? VAL VAL O O O 1 ? 1 ? 58.74 7.616 -11.377 25.486 ATOM 1 ? +190 A A 30 911 ? VAL VAL C CB CB 1 ? 1 ? 57.35 9.33 -13.903 24.839 ATOM 1 ? +191 A A 30 911 ? VAL VAL C CG1 CG1 1 ? 1 ? 55.7 10.027 -14.448 26.087 ATOM 1 ? +192 A A 30 911 ? VAL VAL C CG2 CG2 1 ? 1 ? 56.98 9.628 -14.779 23.626 ATOM 1 ? +193 A A 31 912 ? SER SER N N N 1 ? 1 ? 54 7.252 -12.758 27.24 ATOM 1 ? +194 A A 31 912 ? SER SER C CA CA 1 ? 1 ? 54.84 7.022 -11.684 28.201 ATOM 1 ? +195 A A 31 912 ? SER SER C C C 1 ? 1 ? 57.37 7.695 -11.947 29.547 ATOM 1 ? +196 A A 31 912 ? SER SER O O O 1 ? 1 ? 55.07 7.883 -13.103 29.947 ATOM 1 ? +197 A A 31 912 ? SER SER C CB CB 1 ? 1 ? 59.77 5.528 -11.431 28.392 ATOM 1 ? +198 A A 31 912 ? SER SER O OG OG 1 ? 1 ? 69.24 4.929 -10.953 27.199 ATOM 1 ? +199 A A 32 913 ? LEU LEU N N N 1 ? 1 ? 54.71 8.057 -10.848 30.233 ATOM 1 ? +200 A A 32 913 ? LEU LEU C CA CA 1 ? 1 ? 54.34 8.638 -10.839 31.57 ATOM 1 ? +201 A A 32 913 ? LEU LEU C C C 1 ? 1 ? 60.34 7.497 -11.016 32.588 ATOM 1 ? +202 A A 32 913 ? LEU LEU O O O 1 ? 1 ? 60.61 6.551 -10.229 32.597 ATOM 1 ? +203 A A 32 913 ? LEU LEU C CB CB 1 ? 1 ? 55.12 9.393 -9.508 31.79 ATOM 1 ? +204 A A 32 913 ? LEU LEU C CG CG 1 ? 1 ? 59.33 9.985 -9.217 33.181 ATOM 1 ? +205 A A 32 913 ? LEU LEU C CD1 CD1 1 ? 1 ? 57.56 10.949 -10.303 33.612 ATOM 1 ? +206 A A 32 913 ? LEU LEU C CD2 CD2 1 ? 1 ? 61.76 10.689 -7.873 33.197 ATOM 1 ? +207 A A 33 914 ? TYR TYR N N N 1 ? 1 ? 57.88 7.573 -12.083 33.4 ATOM 1 ? +208 A A 33 914 ? TYR TYR C CA CA 1 ? 1 ? 58.58 6.597 -12.436 34.439 ATOM 1 ? +209 A A 33 914 ? TYR TYR C C C 1 ? 1 ? 61.55 7.305 -12.557 35.785 ATOM 1 ? +210 A A 33 914 ? TYR TYR O O O 1 ? 1 ? 59.14 8.507 -12.822 35.826 ATOM 1 ? +211 A A 33 914 ? TYR TYR C CB CB 1 ? 1 ? 60.39 5.95 -13.801 34.132 ATOM 1 ? +212 A A 33 914 ? TYR TYR C CG CG 1 ? 1 ? 64.49 4.82 -13.8 33.123 ATOM 1 ? +213 A A 33 914 ? TYR TYR C CD1 CD1 1 ? 1 ? 67.73 3.525 -14.158 33.495 ATOM 1 ? +214 A A 33 914 ? TYR TYR C CD2 CD2 1 ? 1 ? 65.22 5.064 -13.554 31.775 ATOM 1 ? +215 A A 33 914 ? TYR TYR C CE1 CE1 1 ? 1 ? 68.98 2.492 -14.223 32.559 ATOM 1 ? +216 A A 33 914 ? TYR TYR C CE2 CE2 1 ? 1 ? 67.21 4.04 -13.618 30.83 ATOM 1 ? +217 A A 33 914 ? TYR TYR C CZ CZ 1 ? 1 ? 77.05 2.753 -13.947 31.227 ATOM 1 ? +218 A A 33 914 ? TYR TYR O OH OH 1 ? 1 ? 80.15 1.748 -14.005 30.288 ATOM 1 ? +219 A A 34 915 ? CYS CYS N N N 1 ? 1 ? 59.65 6.544 -12.409 36.889 ATOM 1 ? +220 A A 34 915 ? CYS CYS C CA CA 1 ? 1 ? 59.87 7.045 -12.572 38.248 ATOM 1 ? +221 A A 34 915 ? CYS CYS C C C 1 ? 1 ? 63.64 6.433 -13.828 38.829 ATOM 1 ? +222 A A 34 915 ? CYS CYS O O O 1 ? 1 ? 64.4 5.205 -13.944 38.858 ATOM 1 ? +223 A A 34 915 ? CYS CYS C CB CB 1 ? 1 ? 61.78 6.717 -11.355 39.106 ATOM 1 ? +224 A A 34 915 ? CYS CYS S SG SG 1 ? 1 ? 67.29 7.253 -11.498 40.833 ATOM 1 ? +225 A A 35 916 ? TYR TYR N N N 1 ? 1 ? 58.43 7.271 -14.77 39.291 ATOM 1 ? +226 A A 35 916 ? TYR TYR C CA CA 1 ? 1 ? 58.8 6.741 -15.967 39.935 ATOM 1 ? +227 A A 35 916 ? TYR TYR C C C 1 ? 1 ? 62.84 6.874 -15.798 41.438 ATOM 1 ? +228 A A 35 916 ? TYR TYR O O O 1 ? 1 ? 62.24 7.992 -15.748 41.957 ATOM 1 ? +229 A A 35 916 ? TYR TYR C CB CB 1 ? 1 ? 59.06 7.416 -17.252 39.43 ATOM 1 ? +230 A A 35 916 ? TYR TYR C CG CG 1 ? 1 ? 61.43 6.774 -18.537 39.922 ATOM 1 ? +231 A A 35 916 ? TYR TYR C CD1 CD1 1 ? 1 ? 63.85 5.423 -18.797 39.7 ATOM 1 ? +232 A A 35 916 ? TYR TYR C CD2 CD2 1 ? 1 ? 62.45 7.535 -19.527 40.539 ATOM 1 ? +233 A A 35 916 ? TYR TYR C CE1 CE1 1 ? 1 ? 65.66 4.838 -19.996 40.108 ATOM 1 ? +234 A A 35 916 ? TYR TYR C CE2 CE2 1 ? 1 ? 64.67 6.964 -20.736 40.94 ATOM 1 ? +235 A A 35 916 ? TYR TYR C CZ CZ 1 ? 1 ? 71.99 5.611 -20.962 40.733 ATOM 1 ? +236 A A 35 916 ? TYR TYR O OH OH 1 ? 1 ? 72.36 5.039 -22.148 41.134 ATOM 1 ? +237 A A 36 917 ? ASP ASP N N N 1 ? 1 ? 60.36 5.727 -15.643 42.126 ATOM 1 ? +238 A A 36 917 ? ASP ASP C CA CA 1 ? 1 ? 61.75 5.664 -15.456 43.576 ATOM 1 ? +239 A A 36 917 ? ASP ASP C C C 1 ? 1 ? 67.09 4.738 -16.482 44.269 ATOM 1 ? +240 A A 36 917 ? ASP ASP O O O 1 ? 1 ? 68.02 3.683 -16.093 44.772 ATOM 1 ? +241 A A 36 917 ? ASP ASP C CB CB 1 ? 1 ? 64.22 5.267 -14 43.92 ATOM 1 ? +242 A A 36 917 ? ASP ASP C CG CG 1 ? 1 ? 73.33 5.654 -13.528 45.315 ATOM 1 ? +243 A A 36 917 ? ASP ASP O OD1 OD1 1 ? 1 ? 73.75 6.352 -14.285 46.034 ATOM 1 ? +244 A A 36 917 ? ASP ASP O OD2 OD2 1 -1 1 ? 78.07 5.301 -12.385 45.67 ATOM 1 ? +245 A A 37 918 ? PRO PRO N N N 1 ? 1 ? 64.42 5.114 -17.785 44.346 ATOM 1 ? +246 A A 37 918 ? PRO PRO C CA CA 1 ? 1 ? 66.82 4.236 -18.76 45.027 ATOM 1 ? +247 A A 37 918 ? PRO PRO C C C 1 ? 1 ? 73.47 4.118 -18.637 46.546 ATOM 1 ? +248 A A 37 918 ? PRO PRO O O O 1 ? 1 ? 75.8 3.219 -19.254 47.115 ATOM 1 ? +249 A A 37 918 ? PRO PRO C CB CB 1 ? 1 ? 68.27 4.789 -20.115 44.588 ATOM 1 ? +250 A A 37 918 ? PRO PRO C CG CG 1 ? 1 ? 70.84 6.214 -19.859 44.293 ATOM 1 ? +251 A A 37 918 ? PRO PRO C CD CD 1 ? 1 ? 64.53 6.328 -18.439 43.813 ATOM 1 ? +252 A A 38 919 ? THR THR N N N 1 ? 1 ? 69.97 4.997 -17.846 47.203 ATOM 1 ? +253 A A 38 919 ? THR THR C CA CA 1 ? 1 ? 72.39 4.944 -17.633 48.663 ATOM 1 ? +254 A A 38 919 ? THR THR C C C 1 ? 1 ? 77.94 4.343 -16.269 49.054 ATOM 1 ? +255 A A 38 919 ? THR THR O O O 1 ? 1 ? 81.08 4.118 -16.025 50.24 ATOM 1 ? +256 A A 38 919 ? THR THR C CB CB 1 ? 1 ? 78.17 6.298 -17.91 49.354 ATOM 1 ? +257 A A 38 919 ? THR THR O OG1 OG1 1 ? 1 ? 73.71 7.295 -16.993 48.898 ATOM 1 ? +258 A A 38 919 ? THR THR C CG2 CG2 1 ? 1 ? 76.59 6.766 -19.357 49.204 ATOM 1 ? +259 A A 39 920 ? ASN ASN N N N 1 ? 1 ? 72.49 4.063 -15.397 48.051 ATOM 1 ? +260 A A 39 920 ? ASN ASN C CA CA 1 ? 1 ? 72.55 3.489 -14.05 48.203 ATOM 1 ? +261 A A 39 920 ? ASN ASN C C C 1 ? 1 ? 76.77 4.318 -13.104 49.092 ATOM 1 ? +262 A A 39 920 ? ASN ASN O O O 1 ? 1 ? 79.12 3.795 -12.52 50.048 ATOM 1 ? +263 A A 39 920 ? ASN ASN C CB CB 1 ? 1 ? 74.46 1.995 -14.09 48.602 ATOM 1 ? +264 A A 39 920 ? ASN ASN C CG CG 1 ? 1 ? 99.29 1.061 -14.671 47.563 ATOM 1 ? +265 A A 39 920 ? ASN ASN O OD1 OD1 1 ? 1 ? 91.27 1.315 -14.639 46.349 ATOM 1 ? +266 A A 39 920 ? ASN ASN N ND2 ND2 1 ? 1 ? 93.63 -0.076 -15.177 48.021 ATOM 1 ? +267 A A 40 921 ? ASP ASP N N N 1 ? 1 ? 70.83 5.615 -12.953 48.769 ATOM 1 ? +268 A A 40 921 ? ASP ASP C CA CA 1 ? 1 ? 71.58 6.512 -12.05 49.501 ATOM 1 ? +269 A A 40 921 ? ASP ASP C C C 1 ? 1 ? 75.82 6.526 -10.631 48.902 ATOM 1 ? +270 A A 40 921 ? ASP ASP O O O 1 ? 1 ? 75.79 7.207 -9.741 49.42 ATOM 1 ? +271 A A 40 921 ? ASP ASP C CB CB 1 ? 1 ? 72.29 7.932 -12.633 49.63 ATOM 1 ? +272 A A 40 921 ? ASP ASP C CG CG 1 ? 1 ? 77.15 8.573 -13.121 48.345 ATOM 1 ? +273 A A 40 921 ? ASP ASP O OD1 OD1 1 ? 1 ? 77.53 9.156 -14.224 48.359 ATOM 1 ? +274 A A 40 921 ? ASP ASP O OD2 OD2 1 -1 1 ? 78.23 8.517 -12.383 47.329 ATOM 1 ? +275 A A 41 922 ? GLY GLY N N N 1 ? 1 ? 72.33 5.791 -10.452 47.803 ATOM 1 ? +276 A A 41 922 ? GLY GLY C CA CA 1 ? 1 ? 72.28 5.669 -9.179 47.101 ATOM 1 ? +277 A A 41 922 ? GLY GLY C C C 1 ? 1 ? 75.71 6.829 -8.798 46.202 ATOM 1 ? +278 A A 41 922 ? GLY GLY O O O 1 ? 1 ? 76.18 6.77 -7.749 45.558 ATOM 1 ? +279 A A 42 923 ? THR THR N N N 1 ? 1 ? 70.8 7.894 -9.625 46.155 ATOM 1 ? +280 A A 42 923 ? THR THR C CA CA 1 ? 1 ? 68.98 9.06 -9.368 45.304 ATOM 1 ? +281 A A 42 923 ? THR THR C C C 1 ? 1 ? 68.9 9.162 -10.432 44.217 ATOM 1 ? +282 A A 42 923 ? THR THR O O O 1 ? 1 ? 67.53 9.247 -10.089 43.038 ATOM 1 ? +283 A A 42 923 ? THR THR C CB CB 1 ? 1 ? 81.4 10.363 -9.258 46.12 ATOM 1 ? +284 A A 42 923 ? THR THR O OG1 OG1 1 ? 1 ? 84.41 10.604 -10.495 46.785 ATOM 1 ? +285 A A 42 923 ? THR THR C CG2 CG2 1 ? 1 ? 82.64 10.344 -8.108 47.122 ATOM 1 ? +286 A A 43 924 ? GLY GLY N N N 1 ? 1 ? 64.1 9.149 -11.702 44.632 ATOM 1 ? +287 A A 43 924 ? GLY GLY C CA CA 1 ? 1 ? 61.44 9.233 -12.876 43.767 ATOM 1 ? +288 A A 43 924 ? GLY GLY C C C 1 ? 1 ? 63.04 10.521 -12.986 42.975 ATOM 1 ? +289 A A 43 924 ? GLY GLY O O O 1 ? 1 ? 62.6 11.527 -12.352 43.31 ATOM 1 ? +290 A A 44 925 ? GLU GLU N N N 1 ? 1 ? 58.4 10.486 -13.808 41.914 ATOM 1 ? +291 A A 44 925 ? GLU GLU C CA CA 1 ? 1 ? 56.68 11.597 -14.002 40.983 ATOM 1 ? +292 A A 44 925 ? GLU GLU C C C 1 ? 1 ? 60 11.134 -13.832 39.54 ATOM 1 ? +293 A A 44 925 ? GLU GLU O O O 1 ? 1 ? 58.93 10.123 -14.414 39.129 ATOM 1 ? +294 A A 44 925 ? GLU GLU C CB CB 1 ? 1 ? 57.48 12.351 -15.327 41.206 ATOM 1 ? +295 A A 44 925 ? GLU GLU C CG CG 1 ? 1 ? 66.5 11.519 -16.591 41.076 ATOM 1 ? +296 A A 44 925 ? GLU GLU C CD CD 1 ? 1 ? 79.19 12.262 -17.853 41.447 ATOM 1 ? +297 A A 44 925 ? GLU GLU O OE1 OE1 1 ? 1 ? 70.48 12.755 -17.938 42.595 ATOM 1 ? +298 A A 44 925 ? GLU GLU O OE2 OE2 1 -1 1 ? 72.73 12.342 -18.764 40.593 ATOM 1 ? +299 A A 45 926 ? MET MET N N N 1 ? 1 ? 56.81 11.867 -13.007 38.783 ATOM 1 ? +300 A A 45 926 ? MET MET C CA CA 1 ? 1 ? 56.06 11.544 -12.731 37.391 ATOM 1 ? +301 A A 45 926 ? MET MET C C C 1 ? 1 ? 56.17 11.994 -13.834 36.441 ATOM 1 ? +302 A A 45 926 ? MET MET O O O 1 ? 1 ? 54.42 13.129 -14.304 36.519 ATOM 1 ? +303 A A 45 926 ? MET MET C CB CB 1 ? 1 ? 59.61 12.048 -11.348 36.963 ATOM 1 ? +304 A A 45 926 ? MET MET C CG CG 1 ? 1 ? 65.99 11.342 -10.205 37.677 ATOM 1 ? +305 A A 45 926 ? MET MET S SD SD 1 ? 1 ? 71.29 9.608 -9.924 37.23 ATOM 1 ? +306 A A 45 926 ? MET MET C CE CE 1 ? 1 ? 70.4 9.203 -8.644 38.438 ATOM 1 ? +307 A A 46 927 ? VAL VAL N N N 1 ? 1 ? 51.47 11.062 -14.282 35.588 ATOM 1 ? +308 A A 46 927 ? VAL VAL C CA CA 1 ? 1 ? 49.95 11.253 -15.33 34.586 ATOM 1 ? +309 A A 46 927 ? VAL VAL C C C 1 ? 1 ? 54.22 10.684 -14.875 33.232 ATOM 1 ? +310 A A 46 927 ? VAL VAL O O O 1 ? 1 ? 54.43 9.847 -13.966 33.179 ATOM 1 ? +311 A A 46 927 ? VAL VAL C CB CB 1 ? 1 ? 53.62 10.673 -16.718 35.019 ATOM 1 ? +312 A A 46 927 ? VAL VAL C CG1 CG1 1 ? 1 ? 53.6 11.322 -17.233 36.303 ATOM 1 ? +313 A A 46 927 ? VAL VAL C CG2 CG2 1 ? 1 ? 54.34 9.148 -16.695 35.144 ATOM 1 ? +314 A A 47 928 ? ALA ALA N N N 1 ? 1 ? 49.97 11.13 -15.514 32.142 ATOM 1 ? +315 A A 47 928 ? ALA ALA C CA CA 1 ? 1 ? 49.08 10.623 -15.224 30.802 ATOM 1 ? +316 A A 47 928 ? ALA ALA C C C 1 ? 1 ? 53.54 9.637 -16.314 30.398 ATOM 1 ? +317 A A 47 928 ? ALA ALA O O O 1 ? 1 ? 52.54 9.939 -17.504 30.531 ATOM 1 ? +318 A A 47 928 ? ALA ALA C CB CB 1 ? 1 ? 48.83 11.765 -15.144 29.809 ATOM 1 ? +319 A A 48 929 ? VAL VAL N N N 1 ? 1 ? 51.69 8.438 -15.912 29.944 ATOM 1 ? +320 A A 48 929 ? VAL VAL C CA CA 1 ? 1 ? 52.13 7.411 -16.871 29.529 ATOM 1 ? +321 A A 48 929 ? VAL VAL C C C 1 ? 1 ? 56.62 7.126 -16.765 28.026 ATOM 1 ? +322 A A 48 929 ? VAL VAL O O O 1 ? 1 ? 56.12 6.74 -15.701 27.529 ATOM 1 ? +323 A A 48 929 ? VAL VAL C CB CB 1 ? 1 ? 57.11 6.118 -16.844 30.403 ATOM 1 ? +324 A A 48 929 ? VAL VAL C CG1 CG1 1 ? 1 ? 57.45 5.123 -17.911 29.952 ATOM 1 ? +325 A A 48 929 ? VAL VAL C CG2 CG2 1 ? 1 ? 56.99 6.441 -17.021 31.888 ATOM 1 ? +326 A A 49 930 ? LYS LYS N N N 1 ? 1 ? 53.73 7.342 -17.875 27.311 ATOM 1 ? +327 A A 49 930 ? LYS LYS C CA CA 1 ? 1 ? 54.17 7.091 -17.973 25.88 ATOM 1 ? +328 A A 49 930 ? LYS LYS C C C 1 ? 1 ? 59.18 5.775 -18.728 25.697 ATOM 1 ? +329 A A 49 930 ? LYS LYS O O O 1 ? 1 ? 58.6 5.566 -19.747 26.357 ATOM 1 ? +330 A A 49 930 ? LYS LYS C CB CB 1 ? 1 ? 56.09 8.254 -18.685 25.16 ATOM 1 ? +331 A A 49 930 ? LYS LYS C CG CG 1 ? 1 ? 70.63 8.362 -18.327 23.672 ATOM 1 ? +332 A A 49 930 ? LYS LYS C CD CD 1 ? 1 ? 79.66 9.756 -18.605 23.098 ATOM 1 ? +333 A A 49 930 ? LYS LYS C CE CE 1 ? 1 ? 88.5 9.962 -17.934 21.756 ATOM 1 ? +334 A A 49 930 ? LYS LYS N NZ NZ 1 1 1 ? 90.05 11.275 -18.27 21.144 ATOM 1 ? +335 A A 50 931 ? ALA ALA N N N 1 ? 1 ? 57.22 4.875 -18.21 24.84 ATOM 1 ? +336 A A 50 931 ? ALA ALA C CA CA 1 ? 1 ? 58.93 3.573 -18.837 24.6 ATOM 1 ? +337 A A 50 931 ? ALA ALA C C C 1 ? 1 ? 64.58 3.154 -18.867 23.134 ATOM 1 ? +338 A A 50 931 ? ALA ALA O O O 1 ? 1 ? 64.25 3.252 -17.849 22.441 ATOM 1 ? +339 A A 50 931 ? ALA ALA C CB CB 1 ? 1 ? 60.42 2.5 -18.151 25.433 ATOM 1 ? +340 A A 51 932 ? LEU LEU N N N 1 ? 1 ? 62.94 2.683 -20.057 22.681 ATOM 1 ? +341 A A 51 932 ? LEU LEU C CA CA 1 ? 1 ? 95.49 2.118 -20.391 21.361 ATOM 1 ? +342 A A 51 932 ? LEU LEU C C C 1 ? 1 ? 137.93 2.947 -19.936 20.16 ATOM 1 ? +343 A A 51 932 ? LEU LEU O O O 1 ? 1 ? 103.73 2.782 -20.457 19.055 ATOM 1 ? +344 A A 51 932 ? LEU LEU C CB CB 1 ? 1 ? 96.96 0.658 -19.907 21.243 ATOM 1 ? +345 A A 51 932 ? LEU LEU C CG CG 1 ? 1 ? 102.82 -0.302 -20.369 22.348 ATOM 1 ? +346 A A 51 932 ? LEU LEU C CD1 CD1 1 ? 1 ? 103.2 -0.974 -19.184 23.027 ATOM 1 ? +347 A A 51 932 ? LEU LEU C CD2 CD2 1 ? 1 ? 107.99 -1.335 -21.337 21.811 ATOM 1 ? +348 A A 63 944 ? TRP TRP N N N 1 1 1 ? 79.24 3.892 -27.958 19.829 ATOM 1 ? +349 A A 63 944 ? TRP TRP C CA CA 1 ? 1 ? 76.36 4.982 -27.138 20.358 ATOM 1 ? +350 A A 63 944 ? TRP TRP C C C 1 ? 1 ? 78.78 5.904 -27.918 21.317 ATOM 1 ? +351 A A 63 944 ? TRP TRP O O O 1 ? 1 ? 75.84 6.949 -27.405 21.734 ATOM 1 ? +352 A A 63 944 ? TRP TRP C CB CB 1 ? 1 ? 73.99 4.417 -25.867 21.024 ATOM 1 ? +353 A A 63 944 ? TRP TRP C CG CG 0.5 ? 1 ? 72.48 5.441 -24.817 21.336 ATOM 1 ? +354 A A 63 944 ? TRP TRP C CD1 CD1 0.5 ? 1 ? 74.36 6.575 -24.539 20.631 ATOM 1 ? +355 A A 63 944 ? TRP TRP C CD2 CD2 0.5 ? 1 ? 71.07 5.406 -23.886 22.422 ATOM 1 ? +356 A A 63 944 ? TRP TRP N NE1 NE1 0.5 ? 1 ? 72.04 7.269 -23.521 21.235 ATOM 1 ? +357 A A 63 944 ? TRP TRP C CE2 CE2 0.5 ? 1 ? 73.25 6.568 -23.089 22.327 ATOM 1 ? +358 A A 63 944 ? TRP TRP C CE3 CE3 0.5 ? 1 ? 72.52 4.508 -23.65 23.474 ATOM 1 ? +359 A A 63 944 ? TRP TRP C CZ2 CZ2 0.5 ? 1 ? 71.33 6.856 -22.074 23.241 ATOM 1 ? +360 A A 63 944 ? TRP TRP C CZ3 CZ3 0.5 ? 1 ? 72.65 4.795 -22.641 24.377 ATOM 1 ? +361 A A 63 944 ? TRP TRP C CH2 CH2 0.5 ? 1 ? 71.72 5.958 -21.871 24.257 ATOM 1 ? +362 A A 64 945 ? LYS LYS N N N 1 ? 1 ? 77.06 5.535 -29.179 21.62 ATOM 1 ? +363 A A 64 945 ? LYS LYS C CA CA 1 ? 1 ? 76.4 6.282 -30.064 22.519 ATOM 1 ? +364 A A 64 945 ? LYS LYS C C C 1 ? 1 ? 76.9 7.737 -30.339 22.126 ATOM 1 ? +365 A A 64 945 ? LYS LYS O O O 1 ? 1 ? 75.84 8.555 -30.533 23.025 ATOM 1 ? +366 A A 64 945 ? LYS LYS C CB CB 1 ? 1 ? 81.9 5.495 -31.344 22.85 ATOM 1 ? +367 A A 64 945 ? LYS LYS C CG CG 1 ? 1 ? 98.62 4.461 -31.116 23.949 ATOM 1 ? +368 A A 64 945 ? LYS LYS C CD CD 1 ? 1 ? 113.13 3.489 -32.277 24.108 ATOM 1 ? +369 A A 64 945 ? LYS LYS C CE CE 1 ? 1 ? 119.9 2.463 -31.997 25.185 ATOM 1 ? +370 A A 64 945 ? LYS LYS N NZ NZ 1 1 1 ? 129.2 1.568 -33.16 25.417 ATOM 1 ? +371 A A 65 946 ? GLN GLN N N N 1 ? 1 ? 71.56 8.073 -30.292 20.812 ATOM 1 ? +372 A A 65 946 ? GLN GLN C CA CA 1 ? 1 ? 69.37 9.446 -30.506 20.329 ATOM 1 ? +373 A A 65 946 ? GLN GLN C C C 1 ? 1 ? 66.78 10.443 -29.413 20.752 ATOM 1 ? +374 A A 65 946 ? GLN GLN O O O 1 ? 1 ? 65.2 11.522 -29.758 21.23 ATOM 1 ? +375 A A 65 946 ? GLN GLN C CB CB 1 ? 1 ? 72.19 9.518 -30.826 18.821 ATOM 1 ? +376 A A 65 946 ? GLN GLN C CG CG 1 ? 1 ? 85 9.109 -29.694 17.868 ATOM 1 ? +377 A A 65 946 ? GLN GLN C CD CD 1 ? 1 ? 94.64 10.113 -29.508 16.749 ATOM 1 ? +378 A A 65 946 ? GLN GLN O OE1 OE1 1 ? 1 ? 85.93 10.332 -30.391 15.911 ATOM 1 ? +379 A A 65 946 ? GLN GLN N NE2 NE2 1 ? 1 ? 85 10.735 -28.34 16.702 ATOM 1 ? +380 A A 66 947 ? GLU GLU N N N 1 ? 1 ? 59.55 10.076 -28.111 20.617 ATOM 1 ? +381 A A 66 947 ? GLU GLU C CA CA 1 ? 1 ? 56.15 10.934 -26.992 21.031 ATOM 1 ? +382 A A 66 947 ? GLU GLU C C C 1 ? 1 ? 59.91 11.242 -27.097 22.529 ATOM 1 ? +383 A A 66 947 ? GLU GLU O O O 1 ? 1 ? 59.06 12.403 -26.958 22.927 ATOM 1 ? +384 A A 66 947 ? GLU GLU C CB CB 1 ? 1 ? 56.42 10.306 -25.623 20.687 ATOM 1 ? +385 A A 66 947 ? GLU GLU C CG CG 1 ? 1 ? 57.93 11.116 -24.443 21.217 ATOM 1 ? +386 A A 66 947 ? GLU GLU C CD CD 1 ? 1 ? 61.11 10.615 -23.033 20.974 ATOM 1 ? +387 A A 66 947 ? GLU GLU O OE1 OE1 1 ? 1 ? 50.29 11.278 -22.081 21.446 ATOM 1 ? +388 A A 66 947 ? GLU GLU O OE2 OE2 1 -1 1 ? 54.44 9.585 -22.871 20.285 ATOM 1 ? +389 A A 67 948 ? ILE ILE N N N 1 ? 1 ? 56.51 10.207 -27.385 23.343 ATOM 1 ? +390 A A 67 948 ? ILE ILE C CA CA 1 ? 1 ? 55.71 10.344 -27.555 24.779 ATOM 1 ? +391 A A 67 948 ? ILE ILE C C C 1 ? 1 ? 59.37 11.203 -28.79 25.079 ATOM 1 ? +392 A A 67 948 ? ILE ILE O O O 1 ? 1 ? 58.48 12.144 -28.674 25.861 ATOM 1 ? +393 A A 67 948 ? ILE ILE C CB CB 1 ? 1 ? 60.25 8.966 -27.491 25.522 ATOM 1 ? +394 A A 67 948 ? ILE ILE C CG1 CG1 1 ? 1 ? 59.93 8.393 -26.046 25.463 ATOM 1 ? +395 A A 67 948 ? ILE ILE C CG2 CG2 1 ? 1 ? 60.86 9.072 -27.968 26.989 ATOM 1 ? +396 A A 67 948 ? ILE ILE C CD1 CD1 1 ? 1 ? 67.85 6.88 -25.914 25.449 ATOM 1 ? +397 A A 68 949 ? ASP ASP N N N 1 ? 1 ? 56.96 10.943 -29.932 24.411 ATOM 1 ? +398 A A 68 949 ? ASP ASP C CA CA 1 ? 1 ? 57.85 11.735 -31.158 24.611 ATOM 1 ? +399 A A 68 949 ? ASP ASP C C C 1 ? 1 ? 58.97 13.208 -31.01 24.194 ATOM 1 ? +400 A A 68 949 ? ASP ASP O O O 1 ? 1 ? 58.07 14.073 -31.657 24.796 ATOM 1 ? +401 A A 68 949 ? ASP ASP C CB CB 1 ? 1 ? 62.59 11.093 -32.383 23.936 ATOM 1 ? +402 A A 68 949 ? ASP ASP C CG CG 1 ? 1 ? 77.11 9.885 -32.955 24.658 ATOM 1 ? +403 A A 68 949 ? ASP ASP O OD1 OD1 1 ? 1 ? 78.35 9.933 -33.068 25.909 ATOM 1 ? +404 A A 68 949 ? ASP ASP O OD2 OD2 1 -1 1 ? 84.9 8.913 -33.341 23.972 ATOM 1 ? +405 A A 69 950 ? ILE ILE N N N 1 ? 1 ? 53.25 13.487 -30.155 23.178 ATOM 1 ? +406 A A 69 950 ? ILE ILE C CA CA 1 ? 1 ? 51.1 14.847 -29.864 22.716 ATOM 1 ? +407 A A 69 950 ? ILE ILE C C C 1 ? 1 ? 52.75 15.585 -29.063 23.806 ATOM 1 ? +408 A A 69 950 ? ILE ILE O O O 1 ? 1 ? 50.78 16.632 -29.515 24.276 ATOM 1 ? +409 A A 69 950 ? ILE ILE C CB CB 1 ? 1 ? 53.29 14.876 -29.161 21.323 ATOM 1 ? +410 A A 69 950 ? ILE ILE C CG1 CG1 1 ? 1 ? 55.08 14.571 -30.172 20.187 ATOM 1 ? +411 A A 69 950 ? ILE ILE C CG2 CG2 1 ? 1 ? 51.91 16.226 -28.442 21.087 ATOM 1 ? +412 A A 69 950 ? ILE ILE C CD1 CD1 1 ? 1 ? 56.57 14.272 -29.562 18.788 ATOM 1 ? +413 A A 70 951 ? LEU LEU N N N 1 ? 1 ? 49.41 15.014 -27.903 24.221 ATOM 1 ? +414 A A 70 951 ? LEU LEU C CA CA 1 ? 1 ? 48.96 15.588 -27.028 25.246 ATOM 1 ? +415 A A 70 951 ? LEU LEU C C C 1 ? 1 ? 53.69 15.781 -27.737 26.6 ATOM 1 ? +416 A A 70 951 ? LEU LEU O O O 1 ? 1 ? 53.34 16.777 -27.48 27.28 ATOM 1 ? +417 A A 70 951 ? LEU LEU C CB CB 1 ? 1 ? 48.77 14.795 -25.717 25.392 ATOM 1 ? +418 A A 70 951 ? LEU LEU C CG CG 1 ? 1 ? 53.25 15.533 -24.569 26.108 ATOM 1 ? +419 A A 70 951 ? LEU LEU C CD1 CD1 1 ? 1 ? 53.1 16.536 -23.88 25.176 ATOM 1 ? +420 A A 70 951 ? LEU LEU C CD2 CD2 1 ? 1 ? 56.37 14.557 -23.547 26.646 ATOM 1 ? +421 A A 71 952 ? ARG ARG N N N 1 ? 1 ? 50.73 14.872 -28.671 26.935 ATOM 1 ? +422 A A 71 952 ? ARG ARG C CA CA 1 ? 1 ? 51.74 14.884 -29.505 28.138 ATOM 1 ? +423 A A 71 952 ? ARG ARG C C C 1 ? 1 ? 55.13 16.18 -30.322 28.251 ATOM 1 ? +424 A A 71 952 ? ARG ARG O O O 1 ? 1 ? 55.2 16.704 -30.477 29.357 ATOM 1 ? +425 A A 71 952 ? ARG ARG C CB CB 1 ? 1 ? 55.65 13.702 -30.483 28.088 ATOM 1 ? +426 A A 71 952 ? ARG ARG C CG CG 1 ? 1 ? 69.47 12.73 -30.374 29.243 ATOM 1 ? +427 A A 71 952 ? ARG ARG C CD CD 1 ? 1 ? 87.9 11.619 -31.407 29.137 ATOM 1 ? +428 A A 71 952 ? ARG ARG N NE NE 1 ? 1 ? 102.42 11.999 -32.683 29.748 ATOM 1 ? +429 A A 71 952 ? ARG ARG C CZ CZ 1 ? 1 ? 119.69 12.453 -33.74 29.08 ATOM 1 ? +430 A A 71 952 ? ARG ARG N NH1 NH1 1 ? 1 ? 106.91 12.58 -33.696 27.758 ATOM 1 ? +431 A A 71 952 ? ARG ARG N NH2 NH2 1 1 1 ? 109.22 12.776 -34.852 29.725 ATOM 1 ? +432 A A 72 953 ? THR THR N N N 1 ? 1 ? 50.38 16.677 -30.861 27.109 ATOM 1 ? +433 A A 72 953 ? THR THR C CA CA 1 ? 1 ? 49.66 17.889 -31.692 27.036 ATOM 1 ? +434 A A 72 953 ? THR THR C C C 1 ? 1 ? 50.2 19.169 -30.86 26.915 ATOM 1 ? +435 A A 72 953 ? THR THR O O O 1 ? 1 ? 49.93 20.257 -31.436 26.866 ATOM 1 ? +436 A A 72 953 ? THR THR C CB CB 1 ? 1 ? 56.18 17.809 -32.68 25.849 ATOM 1 ? +437 A A 72 953 ? THR THR O OG1 OG1 1 ? 1 ? 52.95 17.798 -31.947 24.622 ATOM 1 ? +438 A A 72 953 ? THR THR C CG2 CG2 1 ? 1 ? 55.97 16.621 -33.634 25.935 ATOM 1 ? +439 A A 73 954 ? LEU LEU N N N 1 ? 1 ? 44.23 19.049 -29.523 26.835 ATOM 1 ? +440 A A 73 954 ? LEU LEU C CA CA 1 ? 1 ? 42.04 20.214 -28.667 26.657 ATOM 1 ? +441 A A 73 954 ? LEU LEU C C C 1 ? 1 ? 47.24 20.639 -27.969 27.926 ATOM 1 ? +442 A A 73 954 ? LEU LEU O O O 1 ? 1 ? 47.82 19.838 -27.253 28.531 ATOM 1 ? +443 A A 73 954 ? LEU LEU C CB CB 1 ? 1 ? 40.55 19.988 -27.613 25.55 ATOM 1 ? +444 A A 73 954 ? LEU LEU C CG CG 1 ? 1 ? 44.29 19.592 -28.08 24.145 ATOM 1 ? +445 A A 73 954 ? LEU LEU C CD1 CD1 1 ? 1 ? 42.9 19.181 -26.909 23.297 ATOM 1 ? +446 A A 73 954 ? LEU LEU C CD2 CD2 1 ? 1 ? 46.26 20.696 -28.872 23.48 ATOM 1 ? +447 A A 74 955 A TYR TYR N N N 0.5 ? 1 A 43.86 21.907 -28.134 28.316 ATOM 1 ? +448 A A 74 955 B TYR TYR N N N 0.5 ? 1 B 43.48 21.91 -28.176 28.321 ATOM 1 ? +449 A A 74 955 A TYR TYR C CA CA 0.5 ? 1 A 43.22 22.473 -27.446 29.476 ATOM 1 ? +450 A A 74 955 B TYR TYR C CA CA 0.5 ? 1 B 42.71 22.549 -27.566 29.492 ATOM 1 ? +451 A A 74 955 A TYR TYR C C C 0.5 ? 1 A 45 23.878 -26.977 29.107 ATOM 1 ? +452 A A 74 955 B TYR TYR C C C 0.5 ? 1 B 44.61 23.903 -27.001 29.025 ATOM 1 ? +453 A A 74 955 A TYR TYR O O O 0.5 ? 1 A 45.13 24.792 -27.792 28.94 ATOM 1 ? +454 A A 74 955 B TYR TYR O O O 0.5 ? 1 B 44.5 24.827 -27.781 28.758 ATOM 1 ? +455 A A 74 955 A TYR TYR C CB CB 0.5 ? 1 A 45.76 22.427 -28.31 30.75 ATOM 1 ? +456 A A 74 955 B TYR TYR C CB CB 0.5 ? 1 B 45.02 22.782 -28.599 30.624 ATOM 1 ? +457 A A 74 955 A TYR TYR C CG CG 0.5 ? 1 A 48.2 22.774 -27.553 32.015 ATOM 1 ? +458 A A 74 955 B TYR TYR C CG CG 0.5 ? 1 B 47.97 21.597 -29.465 30.989 ATOM 1 ? +459 A A 74 955 A TYR TYR C CD1 CD1 0.5 ? 1 A 50.74 23.985 -27.767 32.668 ATOM 1 ? +460 A A 74 955 B TYR TYR C CD1 CD1 0.5 ? 1 B 50.39 20.736 -29.104 32.021 ATOM 1 ? +461 A A 74 955 A TYR TYR C CD2 CD2 0.5 ? 1 A 48.87 21.888 -26.633 32.569 ATOM 1 ? +462 A A 74 955 B TYR TYR C CD2 CD2 0.5 ? 1 B 49.8 21.383 -30.69 30.36 ATOM 1 ? +463 A A 74 955 A TYR TYR C CE1 CE1 0.5 ? 1 A 52.01 24.303 -27.086 33.843 ATOM 1 ? +464 A A 74 955 B TYR TYR C CE1 CE1 0.5 ? 1 B 52.54 19.658 -29.912 32.38 ATOM 1 ? +465 A A 74 955 A TYR TYR C CE2 CE2 0.5 ? 1 A 50.15 22.201 -25.937 33.735 ATOM 1 ? +466 A A 74 955 B TYR TYR C CE2 CE2 0.5 ? 1 B 52.16 20.304 -31.502 30.705 ATOM 1 ? +467 A A 74 955 A TYR TYR C CZ CZ 0.5 ? 1 A 58.74 23.411 -26.167 34.369 ATOM 1 ? +468 A A 74 955 B TYR TYR C CZ CZ 0.5 ? 1 B 58.43 19.444 -31.11 31.717 ATOM 1 ? +469 A A 74 955 A TYR TYR O OH OH 0.5 ? 1 A 62 23.726 -25.487 35.521 ATOM 1 ? +470 A A 74 955 B TYR TYR O OH OH 0.5 ? 1 B 59.41 18.385 -31.91 32.067 ATOM 1 ? +471 A A 75 956 ? HIS HIS N N N 1 ? 1 ? 39.01 24.002 -25.659 28.877 ATOM 1 ? +472 A A 75 956 ? HIS HIS C CA CA 1 ? 1 ? 37.52 25.235 -24.97 28.454 ATOM 1 ? +473 A A 75 956 ? HIS HIS C C C 1 ? 1 ? 40.68 25.164 -23.491 28.853 ATOM 1 ? +474 A A 75 956 ? HIS HIS O O O 1 ? 1 ? 39.92 24.086 -22.901 28.817 ATOM 1 ? +475 A A 75 956 ? HIS HIS C CB CB 1 ? 1 ? 37.76 25.451 -25.104 26.93 ATOM 1 ? +476 A A 75 956 ? HIS HIS C CG CG 1 ? 1 ? 40.93 26.794 -24.64 26.468 ATOM 1 ? +477 A A 75 956 ? HIS HIS N ND1 ND1 1 ? 1 ? 42.4 27.008 -23.33 26.085 ATOM 1 ? +478 A A 75 956 ? HIS HIS C CD2 CD2 1 ? 1 ? 42.57 27.959 -25.321 26.367 ATOM 1 ? +479 A A 75 956 ? HIS HIS C CE1 CE1 1 ? 1 ? 41.91 28.289 -23.255 25.764 ATOM 1 ? +480 A A 75 956 ? HIS HIS N NE2 NE2 1 ? 1 ? 42.36 28.899 -24.429 25.913 ATOM 1 ? +481 A A 76 957 ? GLU GLU N N N 1 ? 1 ? 36.93 26.321 -22.893 29.205 ATOM 1 ? +482 A A 76 957 ? GLU GLU C CA CA 1 ? 1 ? 36 26.459 -21.488 29.62 ATOM 1 ? +483 A A 76 957 ? GLU GLU C C C 1 ? 1 ? 39.14 26.13 -20.469 28.513 ATOM 1 ? +484 A A 76 957 ? GLU GLU O O O 1 ? 1 ? 38.57 25.941 -19.295 28.823 ATOM 1 ? +485 A A 76 957 ? GLU GLU C CB CB 1 ? 1 ? 37.66 27.858 -21.222 30.21 ATOM 1 ? +486 A A 76 957 ? GLU GLU C CG CG 1 ? 1 ? 46.69 28.996 -21.297 29.194 ATOM 1 ? +487 A A 76 957 ? GLU GLU C CD CD 1 ? 1 ? 67.35 30.358 -20.856 29.693 ATOM 1 ? +488 A A 76 957 ? GLU GLU O OE1 OE1 1 ? 1 ? 68.56 31.346 -21.571 29.408 ATOM 1 ? +489 A A 76 957 ? GLU GLU O OE2 OE2 1 -1 1 ? 57.44 30.448 -19.785 30.338 ATOM 1 ? +490 A A 77 958 ? HIS HIS N N N 1 ? 1 ? 35.47 26.106 -20.91 27.235 ATOM 1 ? +491 A A 77 958 ? HIS HIS C CA CA 1 ? 1 ? 35.84 25.8 -20.063 26.079 ATOM 1 ? +492 A A 77 958 ? HIS HIS C C C 1 ? 1 ? 40.11 24.491 -20.428 25.355 ATOM 1 ? +493 A A 77 958 ? HIS HIS O O O 1 ? 1 ? 41.04 24.279 -20.052 24.199 ATOM 1 ? +494 A A 77 958 ? HIS HIS C CB CB 1 ? 1 ? 37.1 27.018 -19.895 25.149 ATOM 1 ? +495 A A 77 958 ? HIS HIS C CG CG 1 ? 1 ? 41.44 28.138 -19.145 25.807 ATOM 1 ? +496 A A 77 958 ? HIS HIS N ND1 ND1 1 ? 1 ? 43.96 27.938 -17.895 26.375 ATOM 1 ? +497 A A 77 958 ? HIS HIS C CD2 CD2 1 ? 1 ? 43.39 29.428 -19.501 25.991 ATOM 1 ? +498 A A 77 958 ? HIS HIS C CE1 CE1 1 ? 1 ? 43.84 29.099 -17.546 26.896 ATOM 1 ? +499 A A 77 958 ? HIS HIS N NE2 NE2 1 ? 1 ? 44.01 30.028 -18.472 26.678 ATOM 1 ? +500 A A 78 959 ? ILE ILE N N N 1 ? 1 ? 35.31 23.595 -21.122 26.076 ATOM 1 ? +501 A A 78 959 ? ILE ILE C CA CA 1 ? 1 ? 34.86 22.262 -21.506 25.616 ATOM 1 ? +502 A A 78 959 ? ILE ILE C C C 1 ? 1 ? 40.89 21.265 -21.071 26.692 ATOM 1 ? +503 A A 78 959 ? ILE ILE O O O 1 ? 1 ? 39.15 21.47 -21.375 27.88 ATOM 1 ? +504 A A 78 959 ? ILE ILE C CB CB 1 ? 1 ? 37.65 22.161 -23.026 25.276 ATOM 1 ? +505 A A 78 959 ? ILE ILE C CG1 CG1 1 ? 1 ? 37.27 22.93 -23.338 23.947 ATOM 1 ? +506 A A 78 959 ? ILE ILE C CG2 CG2 1 ? 1 ? 38.49 20.678 -23.506 25.195 ATOM 1 ? +507 A A 78 959 ? ILE ILE C CD1 CD1 1 ? 1 ? 33.15 23.033 -24.79 23.582 ATOM 1 ? +508 A A 79 960 ? ILE ILE N N N 1 ? 1 ? 39.44 20.19 -20.353 26.276 ATOM 1 ? +509 A A 79 960 ? ILE ILE C CA CA 1 ? 1 ? 39.51 19.138 -19.91 27.192 ATOM 1 ? +510 A A 79 960 ? ILE ILE C C C 1 ? 1 ? 43.22 18.646 -21.076 28.036 ATOM 1 ? +511 A A 79 960 ? ILE ILE O O O 1 ? 1 ? 42.08 18.404 -22.173 27.53 ATOM 1 ? +512 A A 79 960 ? ILE ILE C CB CB 1 ? 1 ? 43.28 18.024 -19.069 26.506 ATOM 1 ? +513 A A 79 960 ? ILE ILE C CG1 CG1 1 ? 1 ? 43.54 17.264 -18.184 27.517 ATOM 1 ? +514 A A 79 960 ? ILE ILE C CG2 CG2 1 ? 1 ? 45.13 17.088 -19.907 25.629 ATOM 1 ? +515 A A 79 960 ? ILE ILE C CD1 CD1 1 ? 1 ? 45.21 17.962 -16.836 27.819 ATOM 1 ? +516 A A 80 961 ? LYS LYS N N N 1 ? 1 ? 42.04 18.641 -20.863 29.339 ATOM 1 ? +517 A A 80 961 ? LYS LYS C CA CA 1 ? 1 ? 43.18 18.314 -21.879 30.328 ATOM 1 ? +518 A A 80 961 ? LYS LYS C C C 1 ? 1 ? 50.97 16.822 -22.154 30.482 ATOM 1 ? +519 A A 80 961 ? LYS LYS O O O 1 ? 1 ? 51.98 16.037 -21.246 30.785 ATOM 1 ? +520 A A 80 961 ? LYS LYS C CB CB 1 ? 1 ? 45.22 18.979 -21.509 31.668 ATOM 1 ? +521 A A 80 961 ? LYS LYS C CG CG 1 ? 1 ? 59.51 18.596 -22.346 32.88 ATOM 1 ? +522 A A 80 961 ? LYS LYS C CD CD 1 ? 1 ? 69.29 18.675 -21.524 34.195 ATOM 1 ? +523 A A 80 961 ? LYS LYS C CE CE 1 ? 1 ? 70.05 20.051 -20.998 34.557 ATOM 1 ? +524 A A 80 961 ? LYS LYS N NZ NZ 1 1 1 ? 75.68 21.033 -22.087 34.802 ATOM 1 ? +525 A A 81 962 ? TYR TYR N N N 1 ? 1 ? 48.49 16.453 -23.436 30.307 ATOM 1 ? +526 A A 81 962 ? TYR TYR C CA CA 1 ? 1 ? 49.54 15.112 -23.963 30.523 ATOM 1 ? +527 A A 81 962 ? TYR TYR C C C 1 ? 1 ? 55.45 14.917 -23.989 32.045 ATOM 1 ? +528 A A 81 962 ? TYR TYR O O O 1 ? 1 ? 55.25 15.804 -24.456 32.768 ATOM 1 ? +529 A A 81 962 ? TYR TYR C CB CB 1 ? 1 ? 51.49 15.026 -25.392 29.953 ATOM 1 ? +530 A A 81 962 ? TYR TYR C CG CG 1 ? 1 ? 55.72 13.73 -26.123 30.233 ATOM 1 ? +531 A A 81 962 ? TYR TYR C CD1 CD1 1 ? 1 ? 58.37 12.655 -26.04 29.352 ATOM 1 ? +532 A A 81 962 ? TYR TYR C CD2 CD2 1 ? 1 ? 58.08 13.601 -26.96 31.34 ATOM 1 ? +533 A A 81 962 ? TYR TYR C CE1 CE1 1 ? 1 ? 60.87 11.468 -26.736 29.587 ATOM 1 ? +534 A A 81 962 ? TYR TYR C CE2 CE2 1 ? 1 ? 60.79 12.417 -27.656 31.59 ATOM 1 ? +535 A A 81 962 ? TYR TYR C CZ CZ 1 ? 1 ? 69.39 11.35 -27.538 30.71 ATOM 1 ? +536 A A 81 962 ? TYR TYR O OH OH 1 ? 1 ? 72.94 10.188 -28.24 30.929 ATOM 1 ? +537 A A 82 963 ? LYS LYS N N N 1 ? 1 ? 53.65 13.773 -23.483 32.528 ATOM 1 ? +538 A A 82 963 ? LYS LYS C CA CA 1 ? 1 ? 54.49 13.455 -23.484 33.964 ATOM 1 ? +539 A A 82 963 ? LYS LYS C C C 1 ? 1 ? 63.84 12.316 -24.463 34.279 ATOM 1 ? +540 A A 82 963 ? LYS LYS O O O 1 ? 1 ? 65.52 12.332 -25.134 35.316 ATOM 1 ? +541 A A 82 963 ? LYS LYS C CB CB 1 ? 1 ? 55.11 13.15 -22.069 34.472 ATOM 1 ? +542 A A 82 963 ? LYS LYS C CG CG 1 ? 1 ? 59.37 14.379 -21.162 34.509 ATOM 1 ? +543 A A 82 963 ? LYS LYS C CD CD 1 ? 1 ? 71.09 14.225 -20.002 35.484 ATOM 1 ? +544 A A 82 963 ? LYS LYS C CE CE 1 ? 1 ? 79.34 14.635 -20.378 36.891 ATOM 1 ? +545 A A 82 963 ? LYS LYS N NZ NZ 1 1 1 ? 89.95 14.2 -19.363 37.878 ATOM 1 ? +546 A A 83 964 ? GLY GLY N N N 1 ? 1 ? 63.05 11.359 -24.55 33.363 ATOM 1 ? +547 A A 83 964 ? GLY GLY C CA CA 1 ? 1 ? 65.72 10.205 -25.432 33.466 ATOM 1 ? +548 A A 83 964 ? GLY GLY C C C 1 ? 1 ? 71.99 9.082 -25.033 32.534 ATOM 1 ? +549 A A 83 964 ? GLY GLY O O O 1 ? 1 ? 69.93 9.305 -24.313 31.556 ATOM 1 ? +550 A A 84 965 ? CYS CYS N N N 1 ? 1 ? 72.84 7.863 -25.505 32.839 ATOM 1 ? +551 A A 84 965 ? CYS CYS C CA CA 1 ? 1 ? 74.35 6.659 -25.209 32.064 ATOM 1 ? +552 A A 84 965 ? CYS CYS C C C 1 ? 1 ? 79.07 5.372 -25.197 32.918 ATOM 1 ? +553 A A 84 965 ? CYS CYS O O O 1 ? 1 ? 79.67 5.352 -25.715 34.04 ATOM 1 ? +554 A A 84 965 ? CYS CYS C CB CB 1 ? 1 ? 75.96 6.538 -26.126 30.847 ATOM 1 ? +555 A A 84 965 ? CYS CYS S SG SG 1 ? 1 ? 82.95 6.227 -27.865 31.251 ATOM 1 ? +556 A A 85 966 ? CYS CYS N N N 1 ? 1 ? 75.18 4.309 -24.586 32.368 ATOM 1 ? +557 A A 85 966 ? CYS CYS C CA CA 1 ? 1 ? 76.39 3.001 -24.42 33.004 ATOM 1 ? +558 A A 85 966 ? CYS CYS C C C 1 ? 1 ? 79.94 1.868 -24.673 32.013 ATOM 1 ? +559 A A 85 966 ? CYS CYS O O O 1 ? 1 ? 78.52 2.031 -24.417 30.819 ATOM 1 ? +560 A A 85 966 ? CYS CYS C CB CB 1 ? 1 ? 76.05 2.896 -23.026 33.612 ATOM 1 ? +561 A A 85 966 ? CYS CYS S SG SG 1 ? 1 ? 77.75 3.324 -21.692 32.465 ATOM 1 ? +562 A A 86 967 ? GLU GLU N N N 1 ? 1 ? 77.58 0.708 -25.139 32.519 ATOM 1 ? +563 A A 86 967 ? GLU GLU C CA CA 1 ? 1 ? 91.7 -0.478 -25.427 31.708 ATOM 1 ? +564 A A 86 967 ? GLU GLU C C C 1 ? 1 ? 125.17 -1.168 -24.158 31.208 ATOM 1 ? +565 A A 86 967 ? GLU GLU O O O 1 ? 1 ? 91.07 -1.09 -23.112 31.849 ATOM 1 ? +566 A A 86 967 ? GLU GLU C CB CB 1 ? 1 ? 95.84 -1.466 -26.315 32.476 ATOM 1 ? +567 A A 86 967 ? GLU GLU C CG CG 1 ? 1 ? 106.05 -1.028 -27.765 32.571 ATOM 1 ? +568 A A 86 967 ? GLU GLU C CD CD 1 ? 1 ? 128.2 -2.064 -28.7 33.162 ATOM 1 ? +569 A A 86 967 ? GLU GLU O OE1 OE1 1 ? 1 ? 122.3 -1.887 -29.12 34.328 ATOM 1 ? +570 A A 86 967 ? GLU GLU O OE2 OE2 1 -1 1 ? 124.27 -3.052 -29.015 32.46 ATOM 1 ? +571 A A 93 974 ? LEU LEU N N N 1 1 1 ? 82.07 -0.056 -24.92 26.922 ATOM 1 ? +572 A A 93 974 ? LEU LEU C CA CA 1 ? 1 ? 80.03 1.261 -25.016 27.553 ATOM 1 ? +573 A A 93 974 ? LEU LEU C C C 1 ? 1 ? 79.8 2.136 -23.813 27.199 ATOM 1 ? +574 A A 93 974 ? LEU LEU O O O 1 ? 1 ? 79.51 2.14 -23.374 26.045 ATOM 1 ? +575 A A 93 974 ? LEU LEU C CB CB 1 ? 1 ? 80.6 1.959 -26.334 27.157 ATOM 1 ? +576 A A 93 974 ? LEU LEU C CG CG 1 ? 1 ? 84.11 3.194 -26.756 27.964 ATOM 1 ? +577 A A 93 974 ? LEU LEU C CD1 CD1 1 ? 1 ? 85.79 2.807 -27.381 29.29 ATOM 1 ? +578 A A 93 974 ? LEU LEU C CD2 CD2 1 ? 1 ? 87.01 4.011 -27.761 27.194 ATOM 1 ? +579 A A 94 975 ? GLN GLN N N N 1 ? 1 ? 72.5 2.863 -23.285 28.203 ATOM 1 ? +580 A A 94 975 ? GLN GLN C CA CA 1 ? 1 ? 69.41 3.763 -22.135 28.069 ATOM 1 ? +581 A A 94 975 ? GLN GLN C C C 1 ? 1 ? 69.4 5.171 -22.512 28.529 ATOM 1 ? +582 A A 94 975 ? GLN GLN O O O 1 ? 1 ? 70.03 5.32 -23.28 29.481 ATOM 1 ? +583 A A 94 975 ? GLN GLN C CB CB 1 ? 1 ? 70.9 3.256 -20.936 28.89 ATOM 1 ? +584 A A 94 975 ? GLN GLN C CG CG 1 ? 1 ? 88.15 1.935 -20.326 28.42 ATOM 1 ? +585 A A 94 975 ? GLN GLN C CD CD 1 ? 1 ? 101.43 1.531 -19.138 29.265 ATOM 1 ? +586 A A 94 975 ? GLN GLN O OE1 OE1 1 ? 1 ? 96.5 0.959 -19.284 30.347 ATOM 1 ? +587 A A 94 975 ? GLN GLN N NE2 NE2 1 ? 1 ? 89.84 1.808 -17.932 28.786 ATOM 1 ? +588 A A 95 976 ? LEU LEU N N N 1 ? 1 ? 61.56 6.202 -21.972 27.861 ATOM 1 ? +589 A A 95 976 ? LEU LEU C CA CA 1 ? 1 ? 58.56 7.595 -22.251 28.202 ATOM 1 ? +590 A A 95 976 ? LEU LEU C C C 1 ? 1 ? 58.91 8.155 -21.225 29.184 ATOM 1 ? +591 A A 95 976 ? LEU LEU O O O 1 ? 1 ? 58.22 8.061 -20.023 28.942 ATOM 1 ? +592 A A 95 976 ? LEU LEU C CB CB 1 ? 1 ? 57.54 8.462 -22.346 26.923 ATOM 1 ? +593 A A 95 976 ? LEU LEU C CG CG 1 ? 1 ? 60.56 9.987 -22.474 27.072 ATOM 1 ? +594 A A 95 976 ? LEU LEU C CD1 CD1 1 ? 1 ? 60.24 10.379 -23.722 27.839 ATOM 1 ? +595 A A 95 976 ? LEU LEU C CD2 CD2 1 ? 1 ? 63.08 10.659 -22.481 25.706 ATOM 1 ? +596 A A 96 977 ? VAL VAL N N N 1 ? 1 ? 53.77 8.749 -21.707 30.284 ATOM 1 ? +597 A A 96 977 ? VAL VAL C CA CA 1 ? 1 ? 52.22 9.379 -20.849 31.292 ATOM 1 ? +598 A A 96 977 ? VAL VAL C C C 1 ? 1 ? 51.94 10.899 -21.01 31.206 ATOM 1 ? +599 A A 96 977 ? VAL VAL O O O 1 ? 1 ? 50.61 11.433 -22.114 31.38 ATOM 1 ? +600 A A 96 977 ? VAL VAL C CB CB 1 ? 1 ? 56.85 8.819 -21.034 32.735 ATOM 1 ? +601 A A 96 977 ? VAL VAL C CG1 CG1 1 ? 1 ? 56.24 9.661 -20.276 33.756 ATOM 1 ? +602 A A 96 977 ? VAL VAL C CG2 CG2 1 ? 1 ? 57.54 7.36 -20.585 32.821 ATOM 1 ? +603 A A 97 978 ? MET MET N N N 1 ? 1 ? 45.92 11.572 -19.891 30.923 ATOM 1 ? +604 A A 97 978 ? MET MET C CA CA 1 ? 1 ? 44.1 13.019 -19.779 30.78 ATOM 1 ? +605 A A 97 978 ? MET MET C C C 1 ? 1 ? 48.16 13.553 -18.704 31.718 ATOM 1 ? +606 A A 97 978 ? MET MET O O O 1 ? 1 ? 48.9 12.776 -17.954 32.308 ATOM 1 ? +607 A A 97 978 ? MET MET C CB CB 1 ? 1 ? 45.09 13.386 -19.375 29.339 ATOM 1 ? +608 A A 97 978 ? MET MET C CG CG 1 ? 1 ? 48.3 12.928 -20.347 28.286 ATOM 1 ? +609 A A 97 978 ? MET MET S SD SD 1 ? 1 ? 51.78 13.156 -19.665 26.632 ATOM 1 ? +610 A A 97 978 ? MET MET C CE CE 1 ? 1 ? 48.85 11.961 -18.303 26.66 ATOM 1 ? +611 A A 98 979 ? GLU GLU N N N 1 ? 1 ? 43.63 14.889 -18.6 31.81 ATOM 1 ? +612 A A 98 979 ? GLU GLU C CA CA 1 ? 1 ? 42.97 15.566 -17.567 32.592 ATOM 1 ? +613 A A 98 979 ? GLU GLU C C C 1 ? 1 ? 44.32 15.376 -16.222 31.881 ATOM 1 ? +614 A A 98 979 ? GLU GLU O O O 1 ? 1 ? 43.63 15.419 -16.155 30.648 ATOM 1 ? +615 A A 98 979 ? GLU GLU C CB CB 1 ? 1 ? 43.88 17.072 -17.875 32.751 ATOM 1 ? +616 A A 98 979 ? GLU GLU C CG CG 1 ? 1 ? 51.06 17.815 -18.064 31.426 ATOM 1 ? +617 A A 98 979 ? GLU GLU C CD CD 1 ? 1 ? 61.26 19.327 -17.948 31.435 ATOM 1 ? +618 A A 98 979 ? GLU GLU O OE1 OE1 1 ? 1 ? 58.56 19.888 -17.422 32.423 ATOM 1 ? +619 A A 98 979 ? GLU GLU O OE2 OE2 1 -1 1 ? 43.4 19.95 -18.35 30.427 ATOM 1 ? +620 A A 99 980 ? TYR TYR N N N 1 ? 1 ? 55.48 15.159 -15.171 32.657 ATOM 1 ? +621 A A 99 980 ? TYR TYR C CA CA 1 ? 1 ? 54.27 15.016 -13.83 32.126 ATOM 1 ? +622 A A 99 980 ? TYR TYR C C C 1 ? 1 ? 57.03 16.378 -13.163 32.132 ATOM 1 ? +623 A A 99 980 ? TYR TYR O O O 1 ? 1 ? 58.89 17.022 -13.06 33.186 ATOM 1 ? +624 A A 99 980 ? TYR TYR C CB CB 1 ? 1 ? 57.41 13.972 -12.994 32.907 ATOM 1 ? +625 A A 99 980 ? TYR TYR C CG CG 1 ? 1 ? 58.12 14.074 -11.529 32.551 ATOM 1 ? +626 A A 99 980 ? TYR TYR C CD1 CD1 1 ? 1 ? 58.85 13.729 -11.076 31.279 ATOM 1 ? +627 A A 99 980 ? TYR TYR C CD2 CD2 1 ? 1 ? 59.78 14.622 -10.612 33.445 ATOM 1 ? +628 A A 99 980 ? TYR TYR C CE1 CE1 1 ? 1 ? 60.04 13.897 -9.744 30.916 ATOM 1 ? +629 A A 99 980 ? TYR TYR C CE2 CE2 1 ? 1 ? 61.2 14.785 -9.274 33.095 ATOM 1 ? +630 A A 99 980 ? TYR TYR C CZ CZ 1 ? 1 ? 69.28 14.424 -8.847 31.827 ATOM 1 ? +631 A A 99 980 ? TYR TYR O OH OH 1 ? 1 ? 72.9 14.573 -7.534 31.471 ATOM 1 ? +632 A A 100 981 A VAL VAL N N N 0.5 ? 1 A 51.51 16.823 -12.698 30.957 ATOM 1 ? +633 A A 100 981 B VAL VAL N N N 0.5 ? 1 B 51.61 16.784 -12.671 30.966 ATOM 1 ? +634 A A 100 981 A VAL VAL C CA CA 0.5 ? 1 A 50.06 18.114 -12.017 30.809 ATOM 1 ? +635 A A 100 981 B VAL VAL C CA CA 0.5 ? 1 B 50.07 18.075 -12.042 30.721 ATOM 1 ? +636 A A 100 981 A VAL VAL C C C 0.5 ? 1 A 55.49 17.952 -10.502 30.612 ATOM 1 ? +637 A A 100 981 B VAL VAL C C C 0.5 ? 1 B 55.53 17.928 -10.493 30.599 ATOM 1 ? +638 A A 100 981 A VAL VAL O O O 0.5 ? 1 A 55.47 17.343 -10.069 29.638 ATOM 1 ? +639 A A 100 981 B VAL VAL O O O 0.5 ? 1 B 55.59 17.302 -10.02 29.652 ATOM 1 ? +640 A A 100 981 A VAL VAL C CB CB 0.5 ? 1 A 51.11 19.111 -12.695 29.84 ATOM 1 ? +641 A A 100 981 B VAL VAL C CB CB 0.5 ? 1 B 51.26 18.723 -12.784 29.515 ATOM 1 ? +642 A A 100 981 A VAL VAL C CG1 CG1 0.5 ? 1 A 49.99 19.713 -13.943 30.475 ATOM 1 ? +643 A A 100 981 B VAL VAL C CG1 CG1 0.5 ? 1 B 49.78 19.549 -11.88 28.622 ATOM 1 ? +644 A A 100 981 A VAL VAL C CG2 CG2 0.5 ? 1 A 49.85 18.458 -13.03 28.505 ATOM 1 ? +645 A A 100 981 B VAL VAL C CG2 CG2 0.5 ? 1 B 49.92 19.531 -13.988 29.985 ATOM 1 ? +646 A A 101 982 ? PRO PRO N N N 1 ? 1 ? 53.69 18.424 -9.692 31.584 ATOM 1 ? +647 A A 101 982 ? PRO PRO C CA CA 1 ? 1 ? 54.94 18.205 -8.226 31.524 ATOM 1 ? +648 A A 101 982 ? PRO PRO C C C 1 ? 1 ? 57.51 18.79 -7.372 30.408 ATOM 1 ? +649 A A 101 982 ? PRO PRO O O O 1 ? 1 ? 59.95 18.175 -6.355 30.086 ATOM 1 ? +650 A A 101 982 ? PRO PRO C CB CB 1 ? 1 ? 57.73 18.66 -7.728 32.899 ATOM 1 ? +651 A A 101 982 ? PRO PRO C CG CG 1 ? 1 ? 61.4 18.828 -8.936 33.73 ATOM 1 ? +652 A A 101 982 ? PRO PRO C CD CD 1 ? 1 ? 54.6 19.131 -10.059 32.831 ATOM 1 ? +653 A A 102 983 ? LEU LEU N N N 1 ? 1 ? 50.41 19.965 -7.712 29.871 ATOM 1 ? +654 A A 102 983 ? LEU LEU C CA CA 1 ? 1 ? 49.23 20.574 -6.875 28.832 ATOM 1 ? +655 A A 102 983 ? LEU LEU C C C 1 ? 1 ? 53.8 19.92 -6.967 27.429 ATOM 1 ? +656 A A 102 983 ? LEU LEU O O O 1 ? 1 ? 54.7 20.158 -6.1 26.584 ATOM 1 ? +657 A A 102 983 ? LEU LEU C CB CB 1 ? 1 ? 47.22 22.117 -6.984 28.796 ATOM 1 ? +658 A A 102 983 ? LEU LEU C CG CG 1 ? 1 ? 52.26 22.894 -6.632 30.086 ATOM 1 ? +659 A A 102 983 ? LEU LEU C CD1 CD1 1 ? 1 ? 50.95 24.37 -6.514 29.801 ATOM 1 ? +660 A A 102 983 ? LEU LEU C CD2 CD2 1 ? 1 ? 55.23 22.412 -5.309 30.719 ATOM 1 ? +661 A A 103 984 ? GLY GLY N N N 1 ? 1 ? 49.09 19.082 -7.984 27.221 ATOM 1 ? +662 A A 103 984 ? GLY GLY C CA CA 1 ? 1 ? 48.23 18.348 -8.176 25.976 ATOM 1 ? +663 A A 103 984 ? GLY GLY C C C 1 ? 1 ? 49.79 19.151 -8.766 24.839 ATOM 1 ? +664 A A 103 984 ? GLY GLY O O O 1 ? 1 ? 47.52 20.21 -9.357 25.055 ATOM 1 ? +665 A A 104 985 ? SER SER N N N 1 ? 1 ? 46.15 18.631 -8.62 23.615 ATOM 1 ? +666 A A 104 985 ? SER SER C CA CA 1 ? 1 ? 43.79 19.247 -9.136 22.395 ATOM 1 ? +667 A A 104 985 ? SER SER C C C 1 ? 1 ? 49.06 20.387 -8.25 21.878 ATOM 1 ? +668 A A 104 985 ? SER SER O O O 1 ? 1 ? 50.14 20.357 -7.031 22.081 ATOM 1 ? +669 A A 104 985 ? SER SER C CB CB 1 ? 1 ? 45.13 18.193 -9.335 21.305 ATOM 1 ? +670 A A 104 985 ? SER SER O OG OG 1 ? 1 ? 48.06 18.075 -8.213 20.444 ATOM 1 ? +671 A A 105 986 ? LEU LEU N N N 1 ? 1 ? 44.33 21.341 -8.861 21.131 ATOM 1 ? +672 A A 105 986 ? LEU LEU C CA CA 1 ? 1 ? 43.61 22.47 -8.173 20.495 ATOM 1 ? +673 A A 105 986 ? LEU LEU C C C 1 ? 1 ? 47.07 21.994 -7.151 19.464 ATOM 1 ? +674 A A 105 986 ? LEU LEU O O O 1 ? 1 ? 47.33 22.613 -6.098 19.322 ATOM 1 ? +675 A A 105 986 ? LEU LEU C CB CB 1 ? 1 ? 41.87 23.434 -9.183 19.841 ATOM 1 ? +676 A A 105 986 ? LEU LEU C CG CG 1 ? 1 ? 46.45 24.406 -9.864 20.79 ATOM 1 ? +677 A A 105 986 ? LEU LEU C CD1 CD1 1 ? 1 ? 44.98 24.998 -11.106 20.163 ATOM 1 ? +678 A A 105 986 ? LEU LEU C CD2 CD2 1 ? 1 ? 49.37 25.516 -8.913 21.211 ATOM 1 ? +679 A A 106 987 ? ARG ARG N N N 1 ? 1 ? 43.75 20.87 -7.446 18.784 ATOM 1 ? +680 A A 106 987 ? ARG ARG C CA CA 1 ? 1 ? 44.87 20.242 -6.579 17.79 ATOM 1 ? +681 A A 106 987 ? ARG ARG C C C 1 ? 1 ? 51.94 19.87 -5.211 18.383 ATOM 1 ? +682 A A 106 987 ? ARG ARG O O O 1 ? 1 ? 53.48 19.985 -4.194 17.7 ATOM 1 ? +683 A A 106 987 ? ARG ARG C CB CB 1 ? 1 ? 48.27 19.009 -7.273 17.187 ATOM 1 ? +684 A A 106 987 ? ARG ARG C CG CG 1 ? 1 ? 67.6 18.487 -6.609 15.909 ATOM 1 ? +685 A A 106 987 ? ARG ARG C CD CD 1 ? 1 ? 83.18 16.984 -6.747 15.743 ATOM 1 ? +686 A A 106 987 ? ARG ARG N NE NE 1 ? 1 ? 94.73 16.244 -5.921 16.7 ATOM 1 ? +687 A A 106 987 ? ARG ARG C CZ CZ 1 ? 1 ? 110.09 14.919 -5.822 16.737 ATOM 1 ? +688 A A 106 987 ? ARG ARG N NH1 NH1 1 ? 1 ? 96.31 14.33 -5.048 17.64 ATOM 1 ? +689 A A 106 987 ? ARG ARG N NH2 NH2 1 1 1 ? 96.64 14.171 -6.496 15.869 ATOM 1 ? +690 A A 107 988 ? ASP ASP N N N 1 ? 1 ? 49.6 19.427 -5.184 19.648 ATOM 1 ? +691 A A 107 988 ? ASP ASP C CA CA 1 ? 1 ? 51.06 19.079 -3.94 20.327 ATOM 1 ? +692 A A 107 988 ? ASP ASP C C C 1 ? 1 ? 51.9 20.24 -3.409 21.149 ATOM 1 ? +693 A A 107 988 ? ASP ASP O O O 1 ? 1 ? 51.63 20.35 -2.191 21.327 ATOM 1 ? +694 A A 107 988 ? ASP ASP C CB CB 1 ? 1 ? 54.95 17.83 -4.128 21.199 ATOM 1 ? +695 A A 107 988 ? ASP ASP C CG CG 1 ? 1 ? 67.72 16.613 -4.618 20.443 ATOM 1 ? +696 A A 107 988 ? ASP ASP O OD1 OD1 1 ? 1 ? 69.27 16.408 -4.171 19.289 ATOM 1 ? +697 A A 107 988 ? ASP ASP O OD2 OD2 1 -1 1 ? 73.92 15.868 -5.453 20.999 ATOM 1 ? +698 A A 108 989 ? TYR TYR N N N 1 ? 1 ? 46.43 21.117 -4.319 21.635 ATOM 1 ? +699 A A 108 989 ? TYR TYR C CA CA 1 ? 1 ? 46.42 22.261 -3.971 22.479 ATOM 1 ? +700 A A 108 989 ? TYR TYR C C C 1 ? 1 ? 50.25 23.333 -3.191 21.743 ATOM 1 ? +701 A A 108 989 ? TYR TYR O O O 1 ? 1 ? 50.26 23.768 -2.151 22.247 ATOM 1 ? +702 A A 108 989 ? TYR TYR C CB CB 1 ? 1 ? 46.01 22.863 -5.22 23.151 ATOM 1 ? +703 A A 108 989 ? TYR TYR C CG CG 1 ? 1 ? 48.53 23.791 -4.895 24.302 ATOM 1 ? +704 A A 108 989 ? TYR TYR C CD1 CD1 1 ? 1 ? 51.76 23.295 -4.695 25.587 ATOM 1 ? +705 A A 108 989 ? TYR TYR C CD2 CD2 1 ? 1 ? 48.63 25.166 -4.78 24.106 ATOM 1 ? +706 A A 108 989 ? TYR TYR C CE1 CE1 1 ? 1 ? 53.59 24.143 -4.387 26.649 ATOM 1 ? +707 A A 108 989 ? TYR TYR C CE2 CE2 1 ? 1 ? 50.24 26.022 -4.463 25.158 ATOM 1 ? +708 A A 108 989 ? TYR TYR C CZ CZ 1 ? 1 ? 60 25.506 -4.272 26.43 ATOM 1 ? +709 A A 108 989 ? TYR TYR O OH OH 1 ? 1 ? 62.65 26.341 -3.959 27.474 ATOM 1 ? +710 A A 109 990 ? LEU LEU N N N 1 ? 1 ? 45.79 23.792 -3.712 20.574 ATOM 1 ? +711 A A 109 990 ? LEU LEU C CA CA 1 ? 1 ? 45.99 24.856 -3.089 19.778 ATOM 1 ? +712 A A 109 990 ? LEU LEU C C C 1 ? 1 ? 53.06 24.608 -1.626 19.341 ATOM 1 ? +713 A A 109 990 ? LEU LEU O O O 1 ? 1 ? 55.04 25.496 -0.802 19.583 ATOM 1 ? +714 A A 109 990 ? LEU LEU C CB CB 1 ? 1 ? 43.93 25.363 -3.994 18.642 ATOM 1 ? +715 A A 109 990 ? LEU LEU C CG CG 1 ? 1 ? 46.51 25.969 -5.346 19.048 ATOM 1 ? +716 A A 109 990 ? LEU LEU C CD1 CD1 1 ? 1 ? 44.67 26.454 -6.089 17.846 ATOM 1 ? +717 A A 109 990 ? LEU LEU C CD2 CD2 1 ? 1 ? 49.08 27.107 -5.186 20.052 ATOM 1 ? +718 A A 110 991 ? PRO PRO N N N 1 ? 1 ? 49.97 23.407 -1.232 18.831 ATOM 1 ? +719 A A 110 991 ? PRO PRO C CA CA 1 ? 1 ? 52.17 23.182 0.195 18.506 ATOM 1 ? +720 A A 110 991 ? PRO PRO C C C 1 ? 1 ? 59.85 23.183 1.13 19.72 ATOM 1 ? +721 A A 110 991 ? PRO PRO O O O 1 ? 1 ? 62.56 23.465 2.321 19.579 ATOM 1 ? +722 A A 110 991 ? PRO PRO C CB CB 1 ? 1 ? 53.96 21.801 0.191 17.834 ATOM 1 ? +723 A A 110 991 ? PRO PRO C CG CG 1 ? 1 ? 55.15 21.575 -1.237 17.402 ATOM 1 ? +724 A A 110 991 ? PRO PRO C CD CD 1 ? 1 ? 50.05 22.227 -2.044 18.467 ATOM 1 ? +725 A A 111 992 ? ARG ARG N N N 1 ? 1 ? 56.12 22.872 0.582 20.91 ATOM 1 ? +726 A A 111 992 ? ARG ARG C CA CA 1 ? 1 ? 57.57 22.768 1.272 22.201 ATOM 1 ? +727 A A 111 992 ? ARG ARG C C C 1 ? 1 ? 63.09 24.123 1.594 22.855 ATOM 1 ? +728 A A 111 992 ? ARG ARG O O O 1 ? 1 ? 64.98 24.214 2.584 23.584 ATOM 1 ? +729 A A 111 992 ? ARG ARG C CB CB 1 ? 1 ? 54.59 21.925 0.404 23.15 ATOM 1 ? +730 A A 111 992 ? ARG ARG C CG CG 1 ? 1 ? 61.46 21.32 1.108 24.35 ATOM 1 ? +731 A A 111 992 ? ARG ARG C CD CD 1 ? 1 ? 59.88 20.656 0.114 25.289 ATOM 1 ? +732 A A 111 992 ? ARG ARG N NE NE 1 ? 1 ? 58.9 19.479 -0.539 24.702 ATOM 1 ? +733 A A 111 992 ? ARG ARG C CZ CZ 1 ? 1 ? 65.77 19.306 -1.855 24.621 ATOM 1 ? +734 A A 111 992 ? ARG ARG N NH1 NH1 1 ? 1 ? 56.49 20.237 -2.685 25.074 ATOM 1 ? +735 A A 111 992 ? ARG ARG N NH2 NH2 1 1 1 ? 48.03 18.199 -2.351 24.088 ATOM 1 ? +736 A A 112 993 ? HIS HIS N N N 1 ? 1 ? 58.16 25.162 0.761 22.627 ATOM 1 ? +737 A A 112 993 ? HIS HIS C CA CA 1 ? 1 ? 58.14 26.47 0.959 23.273 ATOM 1 ? +738 A A 112 993 ? HIS HIS C C C 1 ? 1 ? 61.94 27.657 1.092 22.322 ATOM 1 ? +739 A A 112 993 ? HIS HIS O O O 1 ? 1 ? 60.37 27.598 0.628 21.185 ATOM 1 ? +740 A A 112 993 ? HIS HIS C CB CB 1 ? 1 ? 56.97 26.75 -0.193 24.253 ATOM 1 ? +741 A A 112 993 ? HIS HIS C CG CG 1 ? 1 ? 60.77 25.691 -0.38 25.288 ATOM 1 ? +742 A A 112 993 ? HIS HIS N ND1 ND1 1 ? 1 ? 64.49 25.725 0.306 26.483 ATOM 1 ? +743 A A 112 993 ? HIS HIS C CD2 CD2 1 ? 1 ? 61.28 24.602 -1.18 25.271 ATOM 1 ? +744 A A 112 993 ? HIS HIS C CE1 CE1 1 ? 1 ? 64.25 24.653 -0.086 27.149 ATOM 1 ? +745 A A 112 993 ? HIS HIS N NE2 NE2 1 ? 1 ? 62.71 23.953 -0.985 26.461 ATOM 1 ? +746 A A 113 994 ? SER SER N N N 1 ? 1 ? 59.9 28.749 1.7 22.824 ATOM 1 ? +747 A A 113 994 ? SER SER C CA CA 1 ? 1 ? 59.63 30.027 1.856 22.138 ATOM 1 ? +748 A A 113 994 ? SER SER C C C 1 ? 1 ? 62.25 30.792 0.561 22.425 ATOM 1 ? +749 A A 113 994 ? SER SER O O O 1 ? 1 ? 63.06 31.343 0.391 23.523 ATOM 1 ? +750 A A 113 994 ? SER SER C CB CB 1 ? 1 ? 66.24 30.792 3.053 22.701 ATOM 1 ? +751 A A 113 994 ? SER SER O OG OG 1 ? 1 ? 78.98 31.192 3.95 21.678 ATOM 1 ? +752 A A 114 995 ? ILE ILE N N N 1 ? 1 ? 55.81 30.751 -0.38 21.467 ATOM 1 ? +753 A A 114 995 ? ILE ILE C CA CA 1 ? 1 ? 53.22 31.394 -1.689 21.574 ATOM 1 ? +754 A A 114 995 ? ILE ILE C C C 1 ? 1 ? 56.12 32.612 -1.758 20.649 ATOM 1 ? +755 A A 114 995 ? ILE ILE O O O 1 ? 1 ? 55.83 32.542 -1.342 19.492 ATOM 1 ? +756 A A 114 995 ? ILE ILE C CB CB 1 ? 1 ? 54.05 30.396 -2.861 21.307 ATOM 1 ? +757 A A 114 995 ? ILE ILE C CG1 CG1 1 ? 1 ? 55.05 29.05 -2.714 22.083 ATOM 1 ? +758 A A 114 995 ? ILE ILE C CG2 CG2 1 ? 1 ? 51.66 31.054 -4.234 21.526 ATOM 1 ? +759 A A 114 995 ? ILE ILE C CD1 CD1 1 ? 1 ? 59.76 29.045 -3.081 23.569 ATOM 1 ? +760 A A 115 996 ? GLY GLY N N N 1 ? 1 ? 51.6 33.709 -2.279 21.189 ATOM 1 ? +761 A A 115 996 ? GLY GLY C CA CA 1 ? 1 ? 50.16 34.966 -2.458 20.479 ATOM 1 ? +762 A A 115 996 ? GLY GLY C C C 1 ? 1 ? 49.74 35.034 -3.795 19.777 ATOM 1 ? +763 A A 115 996 ? GLY GLY O O O 1 ? 1 ? 47.06 34.302 -4.732 20.12 ATOM 1 ? +764 A A 116 997 ? LEU LEU N N N 1 ? 1 ? 45.76 35.925 -3.873 18.784 ATOM 1 ? +765 A A 116 997 ? LEU LEU C CA CA 1 ? 1 ? 43.78 36.205 -5.036 17.94 ATOM 1 ? +766 A A 116 997 ? LEU LEU C C C 1 ? 1 ? 44.27 36.408 -6.343 18.733 ATOM 1 ? +767 A A 116 997 ? LEU LEU O O O 1 ? 1 ? 42.38 35.782 -7.348 18.394 ATOM 1 ? +768 A A 116 997 ? LEU LEU C CB CB 1 ? 1 ? 44.9 37.439 -4.699 17.075 ATOM 1 ? +769 A A 116 997 ? LEU LEU C CG CG 1 ? 1 ? 48.74 37.899 -5.639 15.96 ATOM 1 ? +770 A A 116 997 ? LEU LEU C CD1 CD1 1 ? 1 ? 46.71 36.728 -6.219 15.146 ATOM 1 ? +771 A A 116 997 ? LEU LEU C CD2 CD2 1 ? 1 ? 54.12 38.841 -4.902 15.045 ATOM 1 ? +772 A A 117 998 ? ALA ALA N N N 1 ? 1 ? 40.35 37.252 -6.316 19.791 ATOM 1 ? +773 A A 117 998 ? ALA ALA C CA CA 1 ? 1 ? 38.67 37.543 -7.469 20.657 ATOM 1 ? +774 A A 117 998 ? ALA ALA C C C 1 ? 1 ? 40.02 36.278 -8.049 21.309 ATOM 1 ? +775 A A 117 998 ? ALA ALA O O O 1 ? 1 ? 37.34 36.076 -9.263 21.271 ATOM 1 ? +776 A A 117 998 ? ALA ALA C CB CB 1 ? 1 ? 40.59 38.561 -7.088 21.722 ATOM 1 ? +777 A A 118 999 ? GLN GLN N N N 1 ? 1 ? 37.59 35.414 -7.173 21.863 ATOM 1 ? +778 A A 118 999 ? GLN GLN C CA CA 1 ? 1 ? 37.28 34.152 -7.558 22.495 ATOM 1 ? +779 A A 118 999 ? GLN GLN C C C 1 ? 1 ? 39.35 33.189 -8.183 21.469 ATOM 1 ? +780 A A 118 999 ? GLN GLN O O O 1 ? 1 ? 38.14 32.53 -9.181 21.785 ATOM 1 ? +781 A A 118 999 ? GLN GLN C CB CB 1 ? 1 ? 40.7 33.529 -6.361 23.253 ATOM 1 ? +782 A A 118 999 ? GLN GLN C CG CG 1 ? 1 ? 53.36 32.247 -6.666 24.043 ATOM 1 ? +783 A A 118 999 ? GLN GLN C CD CD 1 ? 1 ? 69 32.428 -7.663 25.16 ATOM 1 ? +784 A A 118 999 ? GLN GLN O OE1 OE1 1 ? 1 ? 62.65 32.123 -8.851 25.02 ATOM 1 ? +785 A A 118 999 ? GLN GLN N NE2 NE2 1 ? 1 ? 65.9 32.891 -7.192 26.305 ATOM 1 ? +786 A A 119 1000 ? LEU LEU N N N 1 ? 1 ? 34.71 33.157 -7.638 20.233 ATOM 1 ? +787 A A 119 1000 ? LEU LEU C CA CA 1 ? 1 ? 32.77 32.343 -8.202 19.15 ATOM 1 ? +788 A A 119 1000 ? LEU LEU C C C 1 ? 1 ? 34.31 32.841 -9.619 18.82 ATOM 1 ? +789 A A 119 1000 ? LEU LEU O O O 1 ? 1 ? 32.82 32.025 -10.532 18.679 ATOM 1 ? +790 A A 119 1000 ? LEU LEU C CB CB 1 ? 1 ? 32.86 32.386 -7.322 17.88 ATOM 1 ? +791 A A 119 1000 ? LEU LEU C CG CG 1 ? 1 ? 38.39 31.848 -5.89 17.975 ATOM 1 ? +792 A A 119 1000 ? LEU LEU C CD1 CD1 1 ? 1 ? 38.73 32.149 -5.127 16.702 ATOM 1 ? +793 A A 119 1000 ? LEU LEU C CD2 CD2 1 ? 1 ? 40.09 30.351 -5.873 18.226 ATOM 1 ? +794 A A 120 1001 ? LEU LEU N N N 1 ? 1 ? 30.78 34.175 -9.807 18.746 ATOM 1 ? +795 A A 120 1001 ? LEU LEU C CA CA 1 ? 1 ? 30.29 34.775 -11.116 18.447 ATOM 1 ? +796 A A 120 1001 ? LEU LEU C C C 1 ? 1 ? 34.07 34.568 -12.126 19.57 ATOM 1 ? +797 A A 120 1001 ? LEU LEU O O O 1 ? 1 ? 33.48 34.386 -13.315 19.304 ATOM 1 ? +798 A A 120 1001 ? LEU LEU C CB CB 1 ? 1 ? 30.8 36.257 -10.999 18.056 ATOM 1 ? +799 A A 120 1001 ? LEU LEU C CG CG 1 ? 1 ? 35.56 36.544 -10.269 16.74 ATOM 1 ? +800 A A 120 1001 ? LEU LEU C CD1 CD1 1 ? 1 ? 37.01 37.97 -9.775 16.699 ATOM 1 ? +801 A A 120 1001 ? LEU LEU C CD2 CD2 1 ? 1 ? 35.47 36.208 -11.132 15.526 ATOM 1 ? +802 A A 121 1002 ? LEU LEU N N N 1 ? 1 ? 31.3 34.565 -11.641 20.817 ATOM 1 ? +803 A A 121 1002 ? LEU LEU C CA CA 1 ? 1 ? 31.09 34.267 -12.431 22.007 ATOM 1 ? +804 A A 121 1002 ? LEU LEU C C C 1 ? 1 ? 34.91 32.799 -12.899 21.947 ATOM 1 ? +805 A A 121 1002 ? LEU LEU O O O 1 ? 1 ? 34.54 32.548 -14.067 22.227 ATOM 1 ? +806 A A 121 1002 ? LEU LEU C CB CB 1 ? 1 ? 32.43 34.529 -11.612 23.287 ATOM 1 ? +807 A A 121 1002 ? LEU LEU C CG CG 1 ? 1 ? 37.01 34.549 -12.385 24.62 ATOM 1 ? +808 A A 121 1002 ? LEU LEU C CD1 CD1 1 ? 1 ? 36.25 35.587 -13.517 24.608 ATOM 1 ? +809 A A 121 1002 ? LEU LEU C CD2 CD2 1 ? 1 ? 38.56 34.801 -11.444 25.781 ATOM 1 ? +810 A A 122 1003 ? PHE PHE N N N 1 ? 1 ? 31.59 31.842 -12.012 21.541 ATOM 1 ? +811 A A 122 1003 ? PHE PHE C CA CA 1 ? 1 ? 31.21 30.434 -12.397 21.372 ATOM 1 ? +812 A A 122 1003 ? PHE PHE C C C 1 ? 1 ? 34.09 30.352 -13.539 20.34 ATOM 1 ? +813 A A 122 1003 ? PHE PHE O O O 1 ? 1 ? 33.59 29.756 -14.577 20.635 ATOM 1 ? +814 A A 122 1003 ? PHE PHE C CB CB 1 ? 1 ? 33.72 29.563 -11.213 20.908 ATOM 1 ? +815 A A 122 1003 ? PHE PHE C CG CG 1 ? 1 ? 36.7 29.332 -10.066 21.869 ATOM 1 ? +816 A A 122 1003 ? PHE PHE C CD1 CD1 1 ? 1 ? 40.77 29.232 -10.29 23.241 ATOM 1 ? +817 A A 122 1003 ? PHE PHE C CD2 CD2 1 ? 1 ? 39.01 29.146 -8.771 21.397 ATOM 1 ? +818 A A 122 1003 ? PHE PHE C CE1 CE1 1 ? 1 ? 42.9 29.004 -9.228 24.126 ATOM 1 ? +819 A A 122 1003 ? PHE PHE C CE2 CE2 1 ? 1 ? 43.33 28.919 -7.709 22.282 ATOM 1 ? +820 A A 122 1003 ? PHE PHE C CZ CZ 1 ? 1 ? 42.48 28.836 -7.946 23.637 ATOM 1 ? +821 A A 123 1004 ? ALA ALA N N N 1 ? 1 ? 29.39 31.041 -13.378 19.181 ATOM 1 ? +822 A A 123 1004 ? ALA ALA C CA CA 1 ? 1 ? 28.22 31.103 -14.369 18.104 ATOM 1 ? +823 A A 123 1004 ? ALA ALA C C C 1 ? 1 ? 30.55 31.696 -15.699 18.57 ATOM 1 ? +824 A A 123 1004 ? ALA ALA O O O 1 ? 1 ? 29.24 31.161 -16.756 18.245 ATOM 1 ? +825 A A 123 1004 ? ALA ALA C CB CB 1 ? 1 ? 29.45 31.896 -13.817 16.932 ATOM 1 ? +826 A A 124 1005 ? GLN GLN N N N 1 ? 1 ? 27.91 32.776 -15.642 19.358 ATOM 1 ? +827 A A 124 1005 ? GLN GLN C CA CA 1 ? 1 ? 27.61 33.437 -16.806 19.953 ATOM 1 ? +828 A A 124 1005 ? GLN GLN C C C 1 ? 1 ? 32.49 32.447 -17.593 20.859 ATOM 1 ? +829 A A 124 1005 ? GLN GLN O O O 1 ? 1 ? 32.61 32.346 -18.813 20.737 ATOM 1 ? +830 A A 124 1005 ? GLN GLN C CB CB 1 ? 1 ? 29.19 34.653 -16.33 20.749 ATOM 1 ? +831 A A 124 1005 ? GLN GLN C CG CG 1 ? 1 ? 41.39 35.501 -17.437 21.357 ATOM 1 ? +832 A A 124 1005 ? GLN GLN C CD CD 1 ? 1 ? 52.95 36.313 -16.903 22.511 ATOM 1 ? +833 A A 124 1005 ? GLN GLN O OE1 OE1 1 ? 1 ? 45.4 36.997 -15.874 22.411 ATOM 1 ? +834 A A 124 1005 ? GLN GLN N NE2 NE2 1 ? 1 ? 42.75 36.284 -17.613 23.623 ATOM 1 ? +835 A A 125 1006 ? GLN GLN N N N 1 ? 1 ? 29.57 31.698 -16.88 21.716 ATOM 1 ? +836 A A 125 1006 ? GLN GLN C CA CA 1 ? 1 ? 29.38 30.697 -17.449 22.635 ATOM 1 ? +837 A A 125 1006 ? GLN GLN C C C 1 ? 1 ? 34.36 29.531 -18.095 21.877 ATOM 1 ? +838 A A 125 1006 ? GLN GLN O O O 1 ? 1 ? 34.84 29.073 -19.171 22.269 ATOM 1 ? +839 A A 125 1006 ? GLN GLN C CB CB 1 ? 1 ? 30.79 30.201 -16.388 23.622 ATOM 1 ? +840 A A 125 1006 ? GLN GLN C CG CG 1 ? 1 ? 29.44 31.261 -15.967 24.626 ATOM 1 ? +841 A A 125 1006 ? GLN GLN C CD CD 1 ? 1 ? 46.83 30.869 -14.778 25.483 ATOM 1 ? +842 A A 125 1006 ? GLN GLN O OE1 OE1 1 ? 1 ? 40.61 29.702 -14.387 25.589 ATOM 1 ? +843 A A 125 1006 ? GLN GLN N NE2 NE2 1 ? 1 ? 47.32 31.85 -14.186 26.147 ATOM 1 ? +844 A A 126 1007 ? ILE ILE N N N 1 ? 1 ? 30.69 29.088 -17.472 20.763 ATOM 1 ? +845 A A 126 1007 ? ILE ILE C CA CA 1 ? 1 ? 29.82 28.05 -18.031 19.891 ATOM 1 ? +846 A A 126 1007 ? ILE ILE C C C 1 ? 1 ? 34.52 28.547 -19.405 19.376 ATOM 1 ? +847 A A 126 1007 ? ILE ILE O O O 1 ? 1 ? 35.57 27.833 -20.405 19.517 ATOM 1 ? +848 A A 126 1007 ? ILE ILE C CB CB 1 ? 1 ? 31.99 27.652 -17.039 18.747 ATOM 1 ? +849 A A 126 1007 ? ILE ILE C CG1 CG1 1 ? 1 ? 32.52 26.917 -15.8 19.322 ATOM 1 ? +850 A A 126 1007 ? ILE ILE C CG2 CG2 1 ? 1 ? 32.03 26.78 -17.729 17.659 ATOM 1 ? +851 A A 126 1007 ? ILE ILE C CD1 CD1 1 ? 1 ? 32.57 27.07 -14.503 18.498 ATOM 1 ? +852 A A 127 1008 ? CYS CYS N N N 1 ? 1 ? 30.02 29.795 -19.454 18.852 ATOM 1 ? +853 A A 127 1008 ? CYS CYS C CA CA 1 ? 1 ? 29.09 30.443 -20.668 18.343 ATOM 1 ? +854 A A 127 1008 ? CYS CYS C C C 1 ? 1 ? 31.84 30.532 -21.794 19.367 ATOM 1 ? +855 A A 127 1008 ? CYS CYS O O O 1 ? 1 ? 30.86 30.326 -22.957 19.008 ATOM 1 ? +856 A A 127 1008 ? CYS CYS C CB CB 1 ? 1 ? 29.45 31.811 -20.344 17.763 ATOM 1 ? +857 A A 127 1008 ? CYS CYS S SG SG 1 ? 1 ? 33.01 31.744 -19.544 16.151 ATOM 1 ? +858 A A 128 1009 ? GLU GLU N N N 1 ? 1 ? 28.01 30.824 -21.446 20.637 ATOM 1 ? +859 A A 128 1009 ? GLU GLU C CA CA 1 ? 1 ? 27.74 30.903 -22.388 21.756 ATOM 1 ? +860 A A 128 1009 ? GLU GLU C C C 1 ? 1 ? 32.25 29.525 -23.008 22.016 ATOM 1 ? +861 A A 128 1009 ? GLU GLU O O O 1 ? 1 ? 32.33 29.418 -24.23 22.128 ATOM 1 ? +862 A A 128 1009 ? GLU GLU C CB CB 1 ? 1 ? 29.19 31.429 -21.686 23.02 ATOM 1 ? +863 A A 128 1009 ? GLU GLU C CG CG 1 ? 1 ? 35.85 32.925 -21.396 23.005 ATOM 1 ? +864 A A 128 1009 ? GLU GLU C CD CD 1 ? 1 ? 52.22 33.428 -20.436 24.074 ATOM 1 ? +865 A A 128 1009 ? GLU GLU O OE1 OE1 1 ? 1 ? 48.36 32.701 -20.188 25.064 ATOM 1 ? +866 A A 128 1009 ? GLU GLU O OE2 OE2 1 -1 1 ? 46.82 34.558 -19.924 23.917 ATOM 1 ? +867 A A 129 1010 ? GLY GLY N N N 1 ? 1 ? 28.8 28.488 -22.165 22.082 ATOM 1 ? +868 A A 129 1010 ? GLY GLY C CA CA 1 ? 1 ? 28.59 27.114 -22.608 22.283 ATOM 1 ? +869 A A 129 1010 ? GLY GLY C C C 1 ? 1 ? 32.16 26.637 -23.478 21.134 ATOM 1 ? +870 A A 129 1010 ? GLY GLY O O O 1 ? 1 ? 33.32 25.986 -24.501 21.359 ATOM 1 ? +871 A A 130 1011 ? MET MET N N N 1 ? 1 ? 26.58 26.988 -23.083 19.89 ATOM 1 ? +872 A A 130 1011 ? MET MET C CA CA 1 ? 1 ? 25.63 26.616 -23.804 18.659 ATOM 1 ? +873 A A 130 1011 ? MET MET C C C 1 ? 1 ? 29.43 27.334 -25.139 18.509 ATOM 1 ? +874 A A 130 1011 ? MET MET O O O 1 ? 1 ? 29.96 26.708 -26.118 18.092 ATOM 1 ? +875 A A 130 1011 ? MET MET C CB CB 1 ? 1 ? 26.52 26.798 -22.928 17.412 ATOM 1 ? +876 A A 130 1011 ? MET MET C CG CG 1 ? 1 ? 29.44 25.756 -21.789 17.278 ATOM 1 ? +877 A A 130 1011 ? MET MET S SD SD 1 ? 1 ? 33.56 24.012 -22.288 17.262 ATOM 1 ? +878 A A 130 1011 ? MET MET C CE CE 1 ? 1 ? 28.75 23.965 -23.299 15.812 ATOM 1 ? +879 A A 131 1012 ? ALA ALA N N N 1 ? 1 ? 25.65 28.634 -25.188 18.868 ATOM 1 ? +880 A A 131 1012 ? ALA ALA C CA CA 1 ? 1 ? 26.01 29.437 -26.421 18.862 ATOM 1 ? +881 A A 131 1012 ? ALA ALA C C C 1 ? 1 ? 32.41 28.799 -27.449 19.811 ATOM 1 ? +882 A A 131 1012 ? ALA ALA O O O 1 ? 1 ? 33.77 28.655 -28.617 19.435 ATOM 1 ? +883 A A 131 1012 ? ALA ALA C CB CB 1 ? 1 ? 26 30.864 -26.13 19.291 ATOM 1 ? +884 A A 132 1013 ? TYR TYR N N N 1 ? 1 ? 28.93 28.36 -26.995 21.007 ATOM 1 ? +885 A A 132 1013 ? TYR TYR C CA CA 1 ? 1 ? 29.51 27.674 -27.832 21.997 ATOM 1 ? +886 A A 132 1013 ? TYR TYR C C C 1 ? 1 ? 34.25 26.361 -28.367 21.428 ATOM 1 ? +887 A A 132 1013 ? TYR TYR O O O 1 ? 1 ? 36.23 26.092 -29.553 21.569 ATOM 1 ? +888 A A 132 1013 ? TYR TYR C CB CB 1 ? 1 ? 30.76 27.439 -27.076 23.327 ATOM 1 ? +889 A A 132 1013 ? TYR TYR C CG CG 1 ? 1 ? 34.25 26.472 -27.792 24.252 ATOM 1 ? +890 A A 132 1013 ? TYR TYR C CD1 CD1 1 ? 1 ? 36.78 26.889 -28.867 25.034 ATOM 1 ? +891 A A 132 1013 ? TYR TYR C CD2 CD2 1 ? 1 ? 35.34 25.123 -27.445 24.287 ATOM 1 ? +892 A A 132 1013 ? TYR TYR C CE1 CE1 1 ? 1 ? 38.54 25.991 -29.567 25.84 ATOM 1 ? +893 A A 132 1013 ? TYR TYR C CE2 CE2 1 ? 1 ? 37.46 24.216 -28.139 25.086 ATOM 1 ? +894 A A 132 1013 ? TYR TYR C CZ CZ 1 ? 1 ? 44.74 24.653 -29.203 25.856 ATOM 1 ? +895 A A 132 1013 ? TYR TYR O OH OH 1 ? 1 ? 49.62 23.758 -29.881 26.649 ATOM 1 ? +896 A A 133 1014 ? LEU LEU N N N 1 ? 1 ? 30.21 25.543 -27.491 20.806 ATOM 1 ? +897 A A 133 1014 ? LEU LEU C CA CA 1 ? 1 ? 29.98 24.255 -27.844 20.195 ATOM 1 ? +898 A A 133 1014 ? LEU LEU C C C 1 ? 1 ? 34.64 24.428 -28.94 19.155 ATOM 1 ? +899 A A 133 1014 ? LEU LEU O O O 1 ? 1 ? 35.59 23.703 -29.929 19.187 ATOM 1 ? +900 A A 133 1014 ? LEU LEU C CB CB 1 ? 1 ? 29.13 23.583 -26.604 19.576 ATOM 1 ? +901 A A 133 1014 ? LEU LEU C CG CG 1 ? 1 ? 34.23 22.128 -26.782 19.121 ATOM 1 ? +902 A A 133 1014 ? LEU LEU C CD1 CD1 1 ? 1 ? 35.52 21.205 -26.993 20.297 ATOM 1 ? +903 A A 133 1014 ? LEU LEU C CD2 CD2 1 ? 1 ? 34.23 21.663 -25.62 18.255 ATOM 1 ? +904 A A 134 1015 ? HIS HIS N N N 1 ? 1 ? 31.13 25.436 -28.791 18.28 ATOM 1 ? +905 A A 134 1015 ? HIS HIS C CA CA 1 ? 1 ? 30.81 25.764 -29.756 17.238 ATOM 1 ? +906 A A 134 1015 ? HIS HIS C C C 1 ? 1 ? 35.4 26.243 -31.084 17.812 ATOM 1 ? +907 A A 134 1015 ? HIS HIS O O O 1 ? 1 ? 35.54 25.985 -32.13 17.209 ATOM 1 ? +908 A A 134 1015 ? HIS HIS C CB CB 1 ? 1 ? 29.98 26.744 -29.147 16.21 ATOM 1 ? +909 A A 134 1015 ? HIS HIS C CG CG 1 ? 1 ? 32.71 26.101 -28.116 15.325 ATOM 1 ? +910 A A 134 1015 ? HIS HIS N ND1 ND1 1 ? 1 ? 33.84 26.732 -27.65 14.191 ATOM 1 ? +911 A A 134 1015 ? HIS HIS C CD2 CD2 1 ? 1 ? 34.74 24.871 -27.543 15.402 ATOM 1 ? +912 A A 134 1015 ? HIS HIS C CE1 CE1 1 ? 1 ? 32.8 25.884 -26.799 13.63 ATOM 1 ? +913 A A 134 1015 ? HIS HIS N NE2 NE2 1 ? 1 ? 33.66 24.753 -26.702 14.325 ATOM 1 ? +914 A A 135 1016 ? SER SER N N N 1 ? 1 ? 31.81 26.895 -31.044 19.003 ATOM 1 ? +915 A A 135 1016 ? SER SER C CA CA 1 ? 1 ? 32.75 27.373 -32.221 19.722 ATOM 1 ? +916 A A 135 1016 ? SER SER C C C 1 ? 1 ? 38.33 26.203 -33.063 20.248 ATOM 1 ? +917 A A 135 1016 ? SER SER O O O 1 ? 1 ? 39.77 26.325 -34.28 20.366 ATOM 1 ? +918 A A 135 1016 ? SER SER C CB CB 1 ? 1 ? 36.54 28.3 -31.815 20.868 ATOM 1 ? +919 A A 135 1016 ? SER SER O OG OG 1 ? 1 ? 43.47 27.588 -31.434 22.037 ATOM 1 ? +920 A A 136 1017 ? GLN GLN N N N 1 ? 1 ? 35.09 25.079 -32.407 20.564 ATOM 1 ? +921 A A 136 1017 ? GLN GLN C CA CA 1 ? 1 ? 36.44 23.847 -33.028 21.067 ATOM 1 ? +922 A A 136 1017 ? GLN GLN C C C 1 ? 1 ? 42.82 22.918 -33.464 19.919 ATOM 1 ? +923 A A 136 1017 ? GLN GLN O O O 1 ? 1 ? 43.97 21.787 -33.886 20.175 ATOM 1 ? +924 A A 136 1017 ? GLN GLN C CB CB 1 ? 1 ? 37.36 23.114 -32.055 22.022 ATOM 1 ? +925 A A 136 1017 ? GLN GLN C CG CG 1 ? 1 ? 41.6 23.874 -31.725 23.314 ATOM 1 ? +926 A A 136 1017 ? GLN GLN C CD CD 1 ? 1 ? 50.37 24.435 -32.956 23.983 ATOM 1 ? +927 A A 136 1017 ? GLN GLN O OE1 OE1 1 ? 1 ? 46.5 25.639 -33.225 23.937 ATOM 1 ? +928 A A 136 1017 ? GLN GLN N NE2 NE2 1 ? 1 ? 40.63 23.57 -33.776 24.524 ATOM 1 ? +929 A A 137 1018 ? HIS HIS N N N 1 ? 1 ? 39.57 23.402 -33.335 18.655 ATOM 1 ? +930 A A 137 1018 ? HIS HIS C CA CA 1 ? 1 ? 39.28 22.727 -33.685 17.389 ATOM 1 ? +931 A A 137 1018 ? HIS HIS C C C 1 ? 1 ? 40.93 21.503 -32.848 17.022 ATOM 1 ? +932 A A 137 1018 ? HIS HIS O O O 1 ? 1 ? 40.53 20.511 -33.362 16.502 ATOM 1 ? +933 A A 137 1018 ? HIS HIS C CB CB 1 ? 1 ? 42.1 22.529 -35.207 17.202 ATOM 1 ? +934 A A 137 1018 ? HIS HIS C CG CG 1 ? 1 ? 46.3 23.782 -36.007 17.397 ATOM 1 ? +935 A A 137 1018 ? HIS HIS N ND1 ND1 1 ? 1 ? 50.39 23.794 -37.142 18.186 ATOM 1 ? +936 A A 137 1018 ? HIS HIS C CD2 CD2 1 ? 1 ? 47.01 25.036 -35.788 16.929 ATOM 1 ? +937 A A 137 1018 ? HIS HIS C CE1 CE1 1 ? 1 ? 49.73 25.044 -37.582 18.162 ATOM 1 ? +938 A A 137 1018 ? HIS HIS N NE2 NE2 1 ? 1 ? 47.98 25.827 -36.8 17.415 ATOM 1 ? +939 A A 138 1019 ? TYR TYR N N N 1 ? 1 ? 36.59 21.61 -31.539 17.246 ATOM 1 ? +940 A A 138 1019 ? TYR TYR C CA CA 1 ? 1 ? 36.43 20.568 -30.578 16.918 ATOM 1 ? +941 A A 138 1019 ? TYR TYR C C C 1 ? 1 ? 38.03 21.095 -29.478 16.011 ATOM 1 ? +942 A A 138 1019 ? TYR TYR O O O 1 ? 1 ? 37.39 22.275 -29.125 16.069 ATOM 1 ? +943 A A 138 1019 ? TYR TYR C CB CB 1 ? 1 ? 39.18 20.009 -29.918 18.193 ATOM 1 ? +944 A A 138 1019 ? TYR TYR C CG CG 1 ? 1 ? 43.56 19.347 -30.853 19.182 ATOM 1 ? +945 A A 138 1019 ? TYR TYR C CD1 CD1 1 ? 1 ? 46.87 18.111 -31.435 18.902 ATOM 1 ? +946 A A 138 1019 ? TYR TYR C CD2 CD2 1 ? 1 ? 44.87 19.903 -31.077 20.438 ATOM 1 ? +947 A A 138 1019 ? TYR TYR C CE1 CE1 1 ? 1 ? 49.46 17.485 -32.277 19.82 ATOM 1 ? +948 A A 138 1019 ? TYR TYR C CE2 CE2 1 ? 1 ? 47.64 19.283 -31.913 21.367 ATOM 1 ? +949 A A 138 1019 ? TYR TYR C CZ CZ 1 ? 1 ? 55.19 18.07 -32.504 21.054 ATOM 1 ? +950 A A 138 1019 ? TYR TYR O OH OH 1 ? 1 ? 57.69 17.456 -33.327 21.963 ATOM 1 ? +951 A A 139 1020 ? ILE ILE N N N 1 ? 1 ? 33.79 20.196 -28.913 15.202 ATOM 1 ? +952 A A 139 1020 ? ILE ILE C CA CA 1 ? 1 ? 31.29 20.437 -27.756 14.336 ATOM 1 ? +953 A A 139 1020 ? ILE ILE C C C 1 ? 1 ? 34 19.511 -26.65 14.837 ATOM 1 ? +954 A A 139 1020 ? ILE ILE O O O 1 ? 1 ? 34.89 18.408 -26.963 15.284 ATOM 1 ? +955 A A 139 1020 ? ILE ILE C CB CB 1 ? 1 ? 33.7 20.241 -28.066 12.823 ATOM 1 ? +956 A A 139 1020 ? ILE ILE C CG1 CG1 1 ? 1 ? 35.36 18.99 -28.956 12.582 ATOM 1 ? +957 A A 139 1020 ? ILE ILE C CG2 CG2 1 ? 1 ? 32.99 21.516 -28.686 12.245 ATOM 1 ? +958 A A 139 1020 ? ILE ILE C CD1 CD1 1 ? 1 ? 36.51 18.386 -28.895 11.254 ATOM 1 ? +959 A A 140 1021 ? HIS HIS N N N 1 ? 1 ? 28.95 19.966 -25.382 14.82 ATOM 1 ? +960 A A 140 1021 ? HIS HIS C CA CA 1 ? 1 ? 29.06 19.179 -24.242 15.308 ATOM 1 ? +961 A A 140 1021 ? HIS HIS C C C 1 ? 1 ? 35.34 18.198 -23.704 14.265 ATOM 1 ? +962 A A 140 1021 ? HIS HIS O O O 1 ? 1 ? 37.81 17.017 -23.527 14.578 ATOM 1 ? +963 A A 140 1021 ? HIS HIS C CB CB 1 ? 1 ? 28.53 20.095 -23.119 15.802 ATOM 1 ? +964 A A 140 1021 ? HIS HIS C CG CG 1 ? 1 ? 32.13 19.393 -22.088 16.628 ATOM 1 ? +965 A A 140 1021 ? HIS HIS N ND1 ND1 1 ? 1 ? 33.45 18.834 -20.97 16.055 ATOM 1 ? +966 A A 140 1021 ? HIS HIS C CD2 CD2 1 ? 1 ? 34.53 19.213 -22.029 17.968 ATOM 1 ? +967 A A 140 1021 ? HIS HIS C CE1 CE1 1 ? 1 ? 33.77 18.339 -20.26 17.055 ATOM 1 ? +968 A A 140 1021 ? HIS HIS N NE2 NE2 1 ? 1 ? 34.72 18.529 -20.865 18.224 ATOM 1 ? +969 A A 141 1022 ? ARG ARG N N N 1 ? 1 ? 30.37 18.692 -23.415 13.043 ATOM 1 ? +970 A A 141 1022 ? ARG ARG C CA CA 1 ? 1 ? 29.82 17.929 -22.893 11.892 ATOM 1 ? +971 A A 141 1022 ? ARG ARG C C C 1 ? 1 ? 32.66 17.342 -21.49 12.051 ATOM 1 ? +972 A A 141 1022 ? ARG ARG O O O 1 ? 1 ? 30.48 16.548 -21.08 11.209 ATOM 1 ? +973 A A 141 1022 ? ARG ARG C CB CB 1 ? 1 ? 31.61 16.856 -23.864 11.388 ATOM 1 ? +974 A A 141 1022 ? ARG ARG C CG CG 1 ? 1 ? 38.71 17.287 -25.303 11.22 ATOM 1 ? +975 A A 141 1022 ? ARG ARG C CD CD 1 ? 1 ? 48.64 16.069 -26.188 11.181 ATOM 1 ? +976 A A 141 1022 ? ARG ARG N NE NE 1 ? 1 ? 61.91 15.287 -26.018 9.961 ATOM 1 ? +977 A A 141 1022 ? ARG ARG C CZ CZ 1 ? 1 ? 77.55 13.963 -26.112 9.898 ATOM 1 ? +978 A A 141 1022 ? ARG ARG N NH1 NH1 1 ? 1 ? 63.28 13.253 -26.355 10.994 ATOM 1 ? +979 A A 141 1022 ? ARG ARG N NH2 NH2 1 1 1 ? 68.07 13.339 -25.972 8.739 ATOM 1 ? +980 A A 142 1023 ? ASN ASN N N N 1 ? 1 ? 30.28 17.751 -20.737 13.091 ATOM 1 ? +981 A A 142 1023 ? ASN ASN C CA CA 1 ? 1 ? 30.82 17.269 -19.371 13.327 ATOM 1 ? +982 A A 142 1023 ? ASN ASN C C C 1 ? 1 ? 33.04 18.358 -18.552 14.024 ATOM 1 ? +983 A A 142 1023 ? ASN ASN O O O 1 ? 1 ? 33.72 18.073 -17.703 14.88 ATOM 1 ? +984 A A 142 1023 ? ASN ASN C CB CB 1 ? 1 ? 33.77 15.934 -19.384 14.124 ATOM 1 ? +985 A A 142 1023 ? ASN ASN C CG CG 1 ? 1 ? 57.51 15.15 -18.087 14.127 ATOM 1 ? +986 A A 142 1023 ? ASN ASN O OD1 OD1 1 ? 1 ? 50.1 15.262 -17.247 13.231 ATOM 1 ? +987 A A 142 1023 ? ASN ASN N ND2 ND2 1 ? 1 ? 54.56 14.338 -17.888 15.157 ATOM 1 ? +988 A A 143 1024 ? LEU LEU N N N 1 ? 1 ? 27.83 19.622 -18.816 13.641 ATOM 1 ? +989 A A 143 1024 ? LEU LEU C CA CA 1 ? 1 ? 26.41 20.786 -18.141 14.206 ATOM 1 ? +990 A A 143 1024 ? LEU LEU C C C 1 ? 1 ? 31.32 21.007 -16.788 13.55 ATOM 1 ? +991 A A 143 1024 ? LEU LEU O O O 1 ? 1 ? 30.11 21.551 -16.682 12.461 ATOM 1 ? +992 A A 143 1024 ? LEU LEU C CB CB 1 ? 1 ? 24.88 22.039 -19.035 14.194 ATOM 1 ? +993 A A 143 1024 ? LEU LEU C CG CG 1 ? 1 ? 28.52 23.302 -18.449 14.851 ATOM 1 ? +994 A A 143 1024 ? LEU LEU C CD1 CD1 1 ? 1 ? 28.93 23.133 -18.294 16.382 ATOM 1 ? +995 A A 143 1024 ? LEU LEU C CD2 CD2 1 ? 1 ? 29.68 24.482 -19.306 14.562 ATOM 1 ? +996 A A 144 1025 ? ALA ALA N N N 1 ? 1 ? 31.58 20.539 -15.755 14.236 ATOM 1 ? +997 A A 144 1025 ? ALA ALA C CA CA 1 ? 1 ? 31.91 20.576 -14.348 13.848 ATOM 1 ? +998 A A 144 1025 ? ALA ALA C C C 1 ? 1 ? 36.07 20.799 -13.565 15.121 ATOM 1 ? +999 A A 144 1025 ? ALA ALA O O O 1 ? 1 ? 36.04 20.442 -14.051 16.19 ATOM 1 ? +1000 A A 144 1025 ? ALA ALA C CB CB 1 ? 1 ? 33.18 19.237 -13.955 13.224 ATOM 1 ? +1001 A A 145 1026 ? ALA ALA N N N 1 ? 1 ? 33.77 21.376 -12.358 15.019 ATOM 1 ? +1002 A A 145 1026 ? ALA ALA C CA CA 1 ? 1 ? 34.56 21.683 -11.498 16.172 ATOM 1 ? +1003 A A 145 1026 ? ALA ALA C C C 1 ? 1 ? 39.51 20.496 -11.227 17.093 ATOM 1 ? +1004 A A 145 1026 ? ALA ALA O O O 1 ? 1 ? 38.92 20.694 -11.101 18.301 ATOM 1 ? +1005 A A 145 1026 ? ALA ALA C CB CB 1 ? 1 ? 36 22.29 -10.189 15.704 ATOM 1 ? +1006 A A 146 1027 ? ARG ARG N N N 1 ? 1 ? 37.95 19.266 -11.147 16.532 ATOM 1 ? +1007 A A 146 1027 ? ARG ARG C CA CA 1 ? 1 ? 39.81 18.051 -10.901 17.318 ATOM 1 ? +1008 A A 146 1027 ? ARG ARG C C C 1 ? 1 ? 41.2 17.687 -12.074 18.238 ATOM 1 ? +1009 A A 146 1027 ? ARG ARG O O O 1 ? 1 ? 41.14 17.028 -11.872 19.259 ATOM 1 ? +1010 A A 146 1027 ? ARG ARG C CB CB 1 ? 1 ? 45.69 16.872 -10.441 16.43 ATOM 1 ? +1011 A A 146 1027 ? ARG ARG C CG CG 1 ? 1 ? 59.65 16.149 -11.526 15.634 ATOM 1 ? +1012 A A 146 1027 ? ARG ARG C CD CD 1 ? 1 ? 69.8 14.724 -11.687 16.143 ATOM 1 ? +1013 A A 146 1027 ? ARG ARG N NE NE 1 ? 1 ? 81.01 13.801 -12.086 15.076 ATOM 1 ? +1014 A A 146 1027 ? ARG ARG C CZ CZ 1 ? 1 ? 90.41 13.089 -13.212 15.069 ATOM 1 ? +1015 A A 146 1027 ? ARG ARG N NH1 NH1 1 ? 1 ? 79.37 12.275 -13.483 14.055 ATOM 1 ? +1016 A A 146 1027 ? ARG ARG N NH2 NH2 1 1 1 ? 61.59 13.182 -14.072 16.078 ATOM 1 ? +1017 A A 147 1028 ? ASN ASN N N N 1 ? 1 ? 35.68 18.172 -13.286 17.892 ATOM 1 ? +1018 A A 147 1028 ? ASN ASN C CA CA 1 ? 1 ? 34.64 17.939 -14.516 18.65 ATOM 1 ? +1019 A A 147 1028 ? ASN ASN C C C 1 ? 1 ? 39.09 19.034 -14.841 19.679 ATOM 1 ? +1020 A A 147 1028 ? ASN ASN O O O 1 ? 1 ? 38.88 18.921 -15.837 20.399 ATOM 1 ? +1021 A A 147 1028 ? ASN ASN C CB CB 1 ? 1 ? 28.33 17.666 -15.67 17.697 ATOM 1 ? +1022 A A 147 1028 ? ASN ASN C CG CG 1 ? 1 ? 42.5 16.48 -15.386 16.8 ATOM 1 ? +1023 A A 147 1028 ? ASN ASN O OD1 OD1 1 ? 1 ? 39.3 15.426 -14.977 17.258 ATOM 1 ? +1024 A A 147 1028 ? ASN ASN N ND2 ND2 1 ? 1 ? 33.65 16.648 -15.517 15.506 ATOM 1 ? +1025 A A 148 1029 ? VAL VAL N N N 1 ? 1 ? 35.41 20.073 -13.987 19.762 ATOM 1 ? +1026 A A 148 1029 ? VAL VAL C CA CA 1 ? 1 ? 35.3 21.172 -14.127 20.723 ATOM 1 ? +1027 A A 148 1029 ? VAL VAL C C C 1 ? 1 ? 41.62 21.017 -13.037 21.789 ATOM 1 ? +1028 A A 148 1029 ? VAL VAL O O O 1 ? 1 ? 41.56 20.968 -11.846 21.46 ATOM 1 ? +1029 A A 148 1029 ? VAL VAL C CB CB 1 ? 1 ? 37.58 22.592 -14.133 20.073 ATOM 1 ? +1030 A A 148 1029 ? VAL VAL C CG1 CG1 1 ? 1 ? 37.01 23.671 -14.364 21.125 ATOM 1 ? +1031 A A 148 1029 ? VAL VAL C CG2 CG2 1 ? 1 ? 36.19 22.694 -15.195 18.978 ATOM 1 ? +1032 A A 149 1030 ? LEU LEU N N N 1 ? 1 ? 39.78 20.925 -13.456 23.062 ATOM 1 ? +1033 A A 149 1030 ? LEU LEU C CA CA 1 ? 1 ? 41.87 20.748 -12.553 24.201 ATOM 1 ? +1034 A A 149 1030 ? LEU LEU C C C 1 ? 1 ? 46.69 22.014 -12.438 25.066 ATOM 1 ? +1035 A A 149 1030 ? LEU LEU O O O 1 ? 1 ? 44.15 22.915 -13.278 24.948 ATOM 1 ? +1036 A A 149 1030 ? LEU LEU C CB CB 1 ? 1 ? 43.5 19.547 -13.004 25.043 ATOM 1 ? +1037 A A 149 1030 ? LEU LEU C CG CG 1 ? 1 ? 48.69 18.239 -13.309 24.281 ATOM 1 ? +1038 A A 149 1030 ? LEU LEU C CD1 CD1 1 ? 1 ? 49.78 17.422 -14.333 25.016 ATOM 1 ? +1039 A A 149 1030 ? LEU LEU C CD2 CD2 1 ? 1 ? 51.45 17.432 -12.052 24.024 ATOM 1 ? +1040 A A 150 1031 ? LEU LEU N N N 1 ? 1 ? 44.97 22.09 -11.374 25.904 ATOM 1 ? +1041 A A 150 1031 ? LEU LEU C CA CA 1 ? 1 ? 45.38 23.23 -11.123 26.79 ATOM 1 ? +1042 A A 150 1031 ? LEU LEU C C C 1 ? 1 ? 51.27 22.808 -11.011 28.25 ATOM 1 ? +1043 A A 150 1031 ? LEU LEU O O O 1 ? 1 ? 51.78 21.902 -10.232 28.573 ATOM 1 ? +1044 A A 150 1031 ? LEU LEU C CB CB 1 ? 1 ? 45.87 23.97 -9.826 26.412 ATOM 1 ? +1045 A A 150 1031 ? LEU LEU C CG CG 1 ? 1 ? 49.06 24.559 -9.668 25.019 ATOM 1 ? +1046 A A 150 1031 ? LEU LEU C CD1 CD1 1 ? 1 ? 49.91 25.148 -8.289 24.875 ATOM 1 ? +1047 A A 150 1031 ? LEU LEU C CD2 CD2 1 ? 1 ? 48.94 25.638 -10.718 24.734 ATOM 1 ? +1048 A A 151 1032 ? ASP ASP N N N 1 ? 1 ? 47.48 23.487 -11.752 29.144 ATOM 1 ? +1049 A A 151 1032 ? ASP ASP C CA CA 1 ? 1 ? 48.88 23.21 -11.635 30.572 ATOM 1 ? +1050 A A 151 1032 ? ASP ASP C C C 1 ? 1 ? 54.41 23.987 -10.416 31.091 ATOM 1 ? +1051 A A 151 1032 ? ASP ASP O O O 1 ? 1 ? 53.75 24.647 -9.741 30.294 ATOM 1 ? +1052 A A 151 1032 ? ASP ASP C CB CB 1 ? 1 ? 50.26 23.514 -12.951 31.339 ATOM 1 ? +1053 A A 151 1032 ? ASP ASP C CG CG 1 ? 1 ? 58.99 24.974 -13.338 31.586 ATOM 1 ? +1054 A A 151 1032 ? ASP ASP O OD1 OD1 1 ? 1 ? 59.6 25.875 -12.621 31.1 ATOM 1 ? +1055 A A 151 1032 ? ASP ASP O OD2 OD2 1 -1 1 ? 63.64 25.21 -14.361 32.267 ATOM 1 ? +1056 A A 152 1033 ? ASN ASN N N N 1 ? 1 ? 52.64 23.946 -10.153 32.404 ATOM 1 ? +1057 A A 152 1033 ? ASN ASN C CA CA 1 ? 1 ? 53.62 24.623 -9.02 33.032 ATOM 1 ? +1058 A A 152 1033 ? ASN ASN C C C 1 ? 1 ? 56.84 26.118 -8.866 32.77 ATOM 1 ? +1059 A A 152 1033 ? ASN ASN O O O 1 ? 1 ? 57.63 26.616 -7.739 32.725 ATOM 1 ? +1060 A A 152 1033 ? ASN ASN C CB CB 1 ? 1 ? 55.36 24.309 -8.959 34.513 ATOM 1 ? +1061 A A 152 1033 ? ASN ASN C CG CG 1 ? 1 ? 69.12 22.887 -8.55 34.793 ATOM 1 ? +1062 A A 152 1033 ? ASN ASN O OD1 OD1 1 ? 1 ? 65.35 22.181 -9.186 35.58 ATOM 1 ? +1063 A A 152 1033 ? ASN ASN N ND2 ND2 1 ? 1 ? 56.91 22.427 -7.495 34.133 ATOM 1 ? +1064 A A 153 1034 ? ASP ASP N N N 1 ? 1 ? 51.55 26.828 -9.982 32.573 ATOM 1 ? +1065 A A 153 1034 ? ASP ASP C CA CA 1 ? 1 ? 50.23 28.263 -9.953 32.295 ATOM 1 ? +1066 A A 153 1034 ? ASP ASP C C C 1 ? 1 ? 52.06 28.536 -9.936 30.778 ATOM 1 ? +1067 A A 153 1034 ? ASP ASP O O O 1 ? 1 ? 51.88 29.654 -10.228 30.351 ATOM 1 ? +1068 A A 153 1034 ? ASP ASP C CB CB 1 ? 1 ? 51.2 28.956 -11.142 32.993 ATOM 1 ? +1069 A A 153 1034 ? ASP ASP C CG CG 1 ? 1 ? 58.77 28.728 -11.203 34.498 ATOM 1 ? +1070 A A 153 1034 ? ASP ASP O OD1 OD1 1 ? 1 ? 60.21 28.382 -12.291 35 ATOM 1 ? +1071 A A 153 1034 ? ASP ASP O OD2 OD2 1 -1 1 ? 59.43 28.901 -10.161 35.171 ATOM 1 ? +1072 A A 154 1035 ? ARG ARG N N N 1 ? 1 ? 47.87 27.508 -9.568 29.97 ATOM 1 ? +1073 A A 154 1035 ? ARG ARG C CA CA 1 ? 1 ? 45.53 27.51 -9.531 28.498 ATOM 1 ? +1074 A A 154 1035 ? ARG ARG C C C 1 ? 1 ? 46.34 27.853 -10.919 27.95 ATOM 1 ? +1075 A A 154 1035 ? ARG ARG O O O 1 ? 1 ? 45.14 28.569 -11.034 26.956 ATOM 1 ? +1076 A A 154 1035 ? ARG ARG C CB CB 1 ? 1 ? 45.62 28.467 -8.455 27.938 ATOM 1 ? +1077 A A 154 1035 ? ARG ARG C CG CG 1 ? 1 ? 55.55 28.126 -7.02 28.304 ATOM 1 ? +1078 A A 154 1035 ? ARG ARG C CD CD 1 ? 1 ? 65.88 29.285 -6.119 27.926 ATOM 1 ? +1079 A A 154 1035 ? ARG ARG N NE NE 1 ? 1 ? 81 28.857 -4.738 27.698 ATOM 1 ? +1080 A A 154 1035 ? ARG ARG C CZ CZ 1 ? 1 ? 99.27 29.577 -3.816 27.064 ATOM 1 ? +1081 A A 154 1035 ? ARG ARG N NH1 NH1 1 ? 1 ? 89.39 30.772 -4.121 26.567 ATOM 1 ? +1082 A A 154 1035 ? ARG ARG N NH2 NH2 1 1 1 ? 86.7 29.105 -2.585 26.912 ATOM 1 ? +1083 A A 155 1036 ? LEU LEU N N N 1 ? 1 ? 41.92 27.376 -11.98 28.624 ATOM 1 ? +1084 A A 155 1036 ? LEU LEU C CA CA 1 ? 1 ? 40.08 27.65 -13.34 28.173 ATOM 1 ? +1085 A A 155 1036 ? LEU LEU C C C 1 ? 1 ? 41.4 26.526 -13.825 27.282 ATOM 1 ? +1086 A A 155 1036 ? LEU LEU O O O 1 ? 1 ? 42.35 25.347 -13.688 27.637 ATOM 1 ? +1087 A A 155 1036 ? LEU LEU C CB CB 1 ? 1 ? 40.58 27.926 -14.317 29.34 ATOM 1 ? +1088 A A 155 1036 ? LEU LEU C CG CG 1 ? 1 ? 46.09 29.208 -14.073 30.154 ATOM 1 ? +1089 A A 155 1036 ? LEU LEU C CD1 CD1 1 ? 1 ? 47.28 29.203 -14.875 31.437 ATOM 1 ? +1090 A A 155 1036 ? LEU LEU C CD2 CD2 1 ? 1 ? 46.47 30.463 -14.397 29.354 ATOM 1 ? +1091 A A 156 1037 ? VAL VAL N N N 1 ? 1 ? 33.44 26.9 -14.353 26.101 ATOM 1 ? +1092 A A 156 1037 ? VAL VAL C CA CA 1 ? 1 ? 31.12 25.978 -14.855 25.074 ATOM 1 ? +1093 A A 156 1037 ? VAL VAL C C C 1 ? 1 ? 35.76 25.012 -15.917 25.608 ATOM 1 ? +1094 A A 156 1037 ? VAL VAL O O O 1 ? 1 ? 35.94 25.407 -16.786 26.379 ATOM 1 ? +1095 A A 156 1037 ? VAL VAL C CB CB 1 ? 1 ? 31.47 26.754 -15.293 23.794 ATOM 1 ? +1096 A A 156 1037 ? VAL VAL C CG1 CG1 1 ? 1 ? 29.53 26.059 -16.406 23.019 ATOM 1 ? +1097 A A 156 1037 ? VAL VAL C CG2 CG2 1 ? 1 ? 30.9 27.053 -14.103 22.895 ATOM 1 ? +1098 A A 157 1038 ? LYS LYS N N N 1 ? 1 ? 33.48 23.743 -15.813 25.207 ATOM 1 ? +1099 A A 157 1038 ? LYS LYS C CA CA 1 ? 1 ? 34.06 22.678 -16.74 25.554 ATOM 1 ? +1100 A A 157 1038 ? LYS LYS C C C 1 ? 1 ? 38.26 21.85 -16.978 24.296 ATOM 1 ? +1101 A A 157 1038 ? LYS LYS O O O 1 ? 1 ? 38.94 20.989 -16.155 23.952 ATOM 1 ? +1102 A A 157 1038 ? LYS LYS C CB CB 1 ? 1 ? 38.17 21.801 -16.188 26.715 ATOM 1 ? +1103 A A 157 1038 ? LYS LYS C CG CG 1 ? 1 ? 44.49 22.496 -16.083 28.076 ATOM 1 ? +1104 A A 157 1038 ? LYS LYS C CD CD 1 ? 1 ? 44.54 22.946 -17.444 28.632 ATOM 1 ? +1105 A A 157 1038 ? LYS LYS C CE CE 1 ? 1 ? 42.8 23.586 -17.335 29.996 ATOM 1 ? +1106 A A 157 1038 ? LYS LYS N NZ NZ 1 1 1 ? 42.83 23.793 -18.687 30.577 ATOM 1 ? +1107 A A 158 1039 ? ILE ILE N N N 1 ? 1 ? 33.42 22.143 -18.08 23.581 ATOM 1 ? +1108 A A 158 1039 ? ILE ILE C CA CA 1 ? 1 ? 31.98 21.416 -18.429 22.353 ATOM 1 ? +1109 A A 158 1039 ? ILE ILE C C C 1 ? 1 ? 37.59 19.954 -18.742 22.684 ATOM 1 ? +1110 A A 158 1039 ? ILE ILE O O O 1 ? 1 ? 38.58 19.684 -19.587 23.534 ATOM 1 ? +1111 A A 158 1039 ? ILE ILE C CB CB 1 ? 1 ? 32.62 22.114 -19.554 21.537 ATOM 1 ? +1112 A A 158 1039 ? ILE ILE C CG1 CG1 1 ? 1 ? 31.05 23.45 -19.049 20.951 ATOM 1 ? +1113 A A 158 1039 ? ILE ILE C CG2 CG2 1 ? 1 ? 33.26 21.194 -20.067 20.405 ATOM 1 ? +1114 A A 158 1039 ? ILE ILE C CD1 CD1 1 ? 1 ? 29.16 24.467 -20.126 20.583 ATOM 1 ? +1115 A A 159 1040 ? GLY GLY N N N 1 ? 1 ? 34.94 19.042 -18.034 22.03 ATOM 1 ? +1116 A A 159 1040 ? GLY GLY C CA CA 1 ? 1 ? 36.8 17.605 -18.215 22.216 ATOM 1 ? +1117 A A 159 1040 ? GLY GLY C C C 1 ? 1 ? 40.05 16.867 -18.621 20.949 ATOM 1 ? +1118 A A 159 1040 ? GLY GLY O O O 1 ? 1 ? 37.11 17.492 -19.019 19.954 ATOM 1 ? +1119 A A 160 1041 ? ASP ASP N N N 1 ? 1 ? 37.67 15.517 -18.505 20.991 ATOM 1 ? +1120 A A 160 1041 ? ASP ASP C CA CA 1 ? 1 ? 37.4 14.568 -18.87 19.934 ATOM 1 ? +1121 A A 160 1041 ? ASP ASP C C C 1 ? 1 ? 42.05 14.868 -20.195 19.211 ATOM 1 ? +1122 A A 160 1041 ? ASP ASP O O O 1 ? 1 ? 41.26 15.347 -20.215 18.068 ATOM 1 ? +1123 A A 160 1041 ? ASP ASP C CB CB 1 ? 1 ? 38.95 14.271 -17.712 18.961 ATOM 1 ? +1124 A A 160 1041 ? ASP ASP C CG CG 1 ? 1 ? 45.68 12.965 -17.866 18.179 ATOM 1 ? +1125 A A 160 1041 ? ASP ASP O OD1 OD1 1 ? 1 ? 44.22 12.383 -18.98 18.194 ATOM 1 ? +1126 A A 160 1041 ? ASP ASP O OD2 OD2 1 -1 1 ? 48.71 12.531 -16.876 17.546 ATOM 1 ? +1127 A A 161 1042 ? PHE PHE N N N 1 ? 1 ? 40.3 14.544 -21.298 19.893 ATOM 1 ? +1128 A A 161 1042 ? PHE PHE C CA CA 1 ? 1 ? 39.9 14.69 -22.67 19.411 ATOM 1 ? +1129 A A 161 1042 ? PHE PHE C C C 1 ? 1 ? 43.4 13.408 -23.146 18.684 ATOM 1 ? +1130 A A 161 1042 ? PHE PHE O O O 1 ? 1 ? 42.35 13.204 -24.351 18.487 ATOM 1 ? +1131 A A 161 1042 ? PHE PHE C CB CB 1 ? 1 ? 42.7 15.106 -23.6 20.577 ATOM 1 ? +1132 A A 161 1042 ? PHE PHE C CG CG 1 ? 1 ? 43.13 16.551 -23.408 20.977 ATOM 1 ? +1133 A A 161 1042 ? PHE PHE C CD1 CD1 1 ? 1 ? 45.43 17.548 -24.227 20.457 ATOM 1 ? +1134 A A 161 1042 ? PHE PHE C CD2 CD2 1 ? 1 ? 44.76 16.926 -22.366 21.822 ATOM 1 ? +1135 A A 161 1042 ? PHE PHE C CE1 CE1 1 ? 1 ? 44.76 18.89 -24.026 20.797 ATOM 1 ? +1136 A A 161 1042 ? PHE PHE C CE2 CE2 1 ? 1 ? 46.51 18.266 -22.154 22.14 ATOM 1 ? +1137 A A 161 1042 ? PHE PHE C CZ CZ 1 ? 1 ? 43.47 19.241 -22.984 21.622 ATOM 1 ? +1138 A A 162 1043 ? GLY GLY N N N 1 ? 1 ? 40.88 12.581 -22.177 18.272 ATOM 1 ? +1139 A A 162 1043 ? GLY GLY C CA CA 1 ? 1 ? 42.45 11.34 -22.4 17.535 ATOM 1 ? +1140 A A 162 1043 ? GLY GLY C C C 1 ? 1 ? 46.96 11.505 -23.146 16.225 ATOM 1 ? +1141 A A 162 1043 ? GLY GLY O O O 1 ? 1 ? 46.61 10.624 -23.911 15.835 ATOM 1 ? +1142 A A 163 1044 ? LEU LEU N N N 1 ? 1 ? 44.54 12.658 -22.959 15.558 ATOM 1 ? +1143 A A 163 1044 ? LEU LEU C CA CA 1 ? 1 ? 43.81 12.986 -23.632 14.297 ATOM 1 ? +1144 A A 163 1044 ? LEU LEU C C C 1 ? 1 ? 47.44 13.909 -24.837 14.5 ATOM 1 ? +1145 A A 163 1044 ? LEU LEU O O O 1 ? 1 ? 47.11 14.09 -25.603 13.557 ATOM 1 ? +1146 A A 163 1044 ? LEU LEU C CB CB 1 ? 1 ? 42.31 13.615 -22.641 13.297 ATOM 1 ? +1147 A A 163 1044 ? LEU LEU C CG CG 1 ? 1 ? 48.24 12.733 -22.068 12.169 ATOM 1 ? +1148 A A 163 1044 ? LEU LEU C CD1 CD1 1 ? 1 ? 51.44 11.313 -22.667 12.154 ATOM 1 ? +1149 A A 163 1044 ? LEU LEU C CD2 CD2 1 ? 1 ? 49.49 12.699 -20.555 12.212 ATOM 1 ? +1150 A A 164 1045 ? ALA ALA N N N 1 ? 1 ? 43.08 14.501 -25.005 15.715 ATOM 1 ? +1151 A A 164 1045 ? ALA ALA C CA CA 1 ? 1 ? 41.26 15.444 -26.095 16.022 ATOM 1 ? +1152 A A 164 1045 ? ALA ALA C C C 1 ? 1 ? 44.28 14.886 -27.502 15.745 ATOM 1 ? +1153 A A 164 1045 ? ALA ALA O O O 1 ? 1 ? 44.75 13.68 -27.742 15.917 ATOM 1 ? +1154 A A 164 1045 ? ALA ALA C CB CB 1 ? 1 ? 42.22 15.951 -25.983 17.454 ATOM 1 ? +1155 A A 165 1046 ? LYS LYS N N N 1 ? 1 ? 38.22 15.766 -28.416 15.269 ATOM 1 ? +1156 A A 165 1046 ? LYS LYS C CA CA 1 ? 1 ? 37.85 15.413 -29.8 14.922 ATOM 1 ? +1157 A A 165 1046 ? LYS LYS C C C 1 ? 1 ? 42.09 16.515 -30.78 15.284 ATOM 1 ? +1158 A A 165 1046 ? LYS LYS O O O 1 ? 1 ? 40.63 17.697 -30.427 15.246 ATOM 1 ? +1159 A A 165 1046 ? LYS LYS C CB CB 1 ? 1 ? 37.79 15.127 -29.947 13.404 ATOM 1 ? +1160 A A 165 1046 ? LYS LYS C CG CG 1 ? 1 ? 47.12 13.962 -29.13 12.834 ATOM 1 ? +1161 A A 165 1046 ? LYS LYS C CD CD 1 ? 1 ? 57.24 12.576 -29.7 13.186 ATOM 1 ? +1162 A A 165 1046 ? LYS LYS C CE CE 1 ? 1 ? 69.07 11.473 -28.721 12.869 ATOM 1 ? +1163 A A 165 1046 ? LYS LYS N NZ NZ 1 1 1 ? 84.44 10.128 -29.348 12.966 ATOM 1 ? +1164 A A 166 1047 ? ALA ALA N N N 1 ? 1 ? 40.93 16.131 -32.037 15.546 ATOM 1 ? +1165 A A 166 1047 ? ALA ALA C CA CA 1 ? 1 ? 42.17 17.075 -33.126 15.774 ATOM 1 ? +1166 A A 166 1047 ? ALA ALA C C C 1 ? 1 ? 49.12 17.531 -33.65 14.4 ATOM 1 ? +1167 A A 166 1047 ? ALA ALA O O O 1 ? 1 ? 50.35 16.685 -33.912 13.537 ATOM 1 ? +1168 A A 166 1047 ? ALA ALA C CB CB 1 ? 1 ? 45.21 16.402 -34.245 16.554 ATOM 1 ? +1169 A A 167 1048 ? VAL VAL N N N 1 ? 1 ? 45.83 18.852 -33.756 14.167 ATOM 1 ? +1170 A A 167 1048 ? VAL VAL C CA CA 1 ? 1 ? 45.76 19.343 -34.307 12.9 ATOM 1 ? +1171 A A 167 1048 ? VAL VAL C C C 1 ? 1 ? 53.99 19.157 -35.828 13.028 ATOM 1 ? +1172 A A 167 1048 ? VAL VAL O O O 1 ? 1 ? 54.85 19.729 -36.413 13.954 ATOM 1 ? +1173 A A 167 1048 ? VAL VAL C CB CB 1 ? 1 ? 47.87 20.807 -33.916 12.546 ATOM 1 ? +1174 A A 167 1048 ? VAL VAL C CG1 CG1 1 ? 1 ? 47.26 21.273 -34.623 11.273 ATOM 1 ? +1175 A A 167 1048 ? VAL VAL C CG2 CG2 1 ? 1 ? 46.06 20.957 -32.404 12.4 ATOM 1 ? +1176 A A 168 1049 ? PRO PRO N N N 1 ? 1 ? 53.18 18.331 -36.471 12.161 ATOM 1 ? +1177 A A 168 1049 ? PRO PRO C CA CA 1 ? 1 ? 55.91 18.1 -37.923 12.294 ATOM 1 ? +1178 A A 168 1049 ? PRO PRO C C C 1 ? 1 ? 61.86 19.374 -38.761 12.285 ATOM 1 ? +1179 A A 168 1049 ? PRO PRO O O O 1 ? 1 ? 59.1 20.295 -38.465 11.521 ATOM 1 ? +1180 A A 168 1049 ? PRO PRO C CB CB 1 ? 1 ? 58.45 17.195 -38.256 11.101 ATOM 1 ? +1181 A A 168 1049 ? PRO PRO C CG CG 1 ? 1 ? 61.21 16.573 -36.977 10.712 ATOM 1 ? +1182 A A 168 1049 ? PRO PRO C CD CD 1 ? 1 ? 54.36 17.579 -35.913 11.018 ATOM 1 ? +1183 A A 169 1050 ? GLU GLU N N N 1 ? 1 ? 62.65 19.429 -39.785 13.168 ATOM 1 ? +1184 A A 169 1050 ? GLU GLU C CA CA 1 ? 1 ? 63.86 20.57 -40.695 13.321 ATOM 1 ? +1185 A A 169 1050 ? GLU GLU C C C 1 ? 1 ? 67.84 20.809 -41.467 12.02 ATOM 1 ? +1186 A A 169 1050 ? GLU GLU O O O 1 ? 1 ? 68.63 19.878 -42.068 11.472 ATOM 1 ? +1187 A A 169 1050 ? GLU GLU C CB CB 1 ? 1 ? 68.09 20.354 -41.643 14.518 ATOM 1 ? +1188 A A 169 1050 ? GLU GLU C CG CG 1 ? 1 ? 82.8 21.539 -41.719 15.475 ATOM 1 ? +1189 A A 169 1050 ? GLU GLU C CD CD 1 ? 1 ? 107.1 21.743 -40.526 16.394 ATOM 1 ? +1190 A A 169 1050 ? GLU GLU O OE1 OE1 1 ? 1 ? 100.46 20.915 -40.332 17.313 ATOM 1 ? +1191 A A 169 1050 ? GLU GLU O OE2 OE2 1 -1 1 ? 101.72 22.751 -39.804 16.215 ATOM 1 ? +1192 A A 170 1051 ? GLY GLY N N N 1 ? 1 ? 63.37 22.036 -41.376 11.512 ATOM 1 ? +1193 A A 170 1051 ? GLY GLY C CA CA 1 ? 1 ? 63.44 22.432 -41.982 10.244 ATOM 1 ? +1194 A A 170 1051 ? GLY GLY C C C 1 ? 1 ? 64.39 22.149 -41.088 9.047 ATOM 1 ? +1195 A A 170 1051 ? GLY GLY O O O 1 ? 1 ? 64.26 22.178 -41.55 7.902 ATOM 1 ? +1196 A A 171 1052 ? HIS HIS N N N 1 ? 1 ? 58.3 21.856 -39.8 9.307 ATOM 1 ? +1197 A A 171 1052 ? HIS HIS C CA CA 1 ? 1 ? 56.21 21.577 -38.792 8.284 ATOM 1 ? +1198 A A 171 1052 ? HIS HIS C C C 1 ? 1 ? 56.16 22.453 -37.572 8.512 ATOM 1 ? +1199 A A 171 1052 ? HIS HIS O O O 1 ? 1 ? 54.78 22.777 -37.246 9.655 ATOM 1 ? +1200 A A 171 1052 ? HIS HIS C CB CB 1 ? 1 ? 57.7 20.089 -38.406 8.269 ATOM 1 ? +1201 A A 171 1052 ? HIS HIS C CG CG 1 ? 1 ? 63.72 19.184 -39.524 7.861 ATOM 1 ? +1202 A A 171 1052 ? HIS HIS N ND1 ND1 1 ? 1 ? 67.81 18.656 -40.401 8.793 ATOM 1 ? +1203 A A 171 1052 ? HIS HIS C CD2 CD2 1 ? 1 ? 66.43 18.754 -39.883 6.629 ATOM 1 ? +1204 A A 171 1052 ? HIS HIS C CE1 CE1 1 ? 1 ? 69.18 17.918 -41.257 8.104 ATOM 1 ? +1205 A A 171 1052 ? HIS HIS N NE2 NE2 1 ? 1 ? 68.75 17.947 -40.988 6.797 ATOM 1 ? +1206 A A 172 1053 ? GLU GLU N N N 1 ? 1 ? 51.59 22.862 -36.911 7.424 ATOM 1 ? +1207 A A 172 1053 ? GLU GLU C CA CA 1 ? 1 ? 49.24 23.734 -35.737 7.515 ATOM 1 ? +1208 A A 172 1053 ? GLU GLU C C C 1 ? 1 ? 48.93 22.964 -34.415 7.509 ATOM 1 ? +1209 A A 172 1053 ? GLU GLU O O O 1 ? 1 ? 46.94 23.539 -33.368 7.812 ATOM 1 ? +1210 A A 172 1053 ? GLU GLU C CB CB 1 ? 1 ? 50.54 24.818 -35.774 6.429 ATOM 1 ? +1211 A A 172 1053 ? GLU GLU C CG CG 1 ? 1 ? 64.08 26.194 -35.456 6.99 ATOM 1 ? +1212 A A 172 1053 ? GLU GLU C CD CD 1 ? 1 ? 92.52 27.386 -35.671 6.077 ATOM 1 ? +1213 A A 172 1053 ? GLU GLU O OE1 OE1 1 ? 1 ? 92.35 27.218 -35.616 4.836 ATOM 1 ? +1214 A A 172 1053 ? GLU GLU O OE2 OE2 1 -1 1 ? 87.89 28.505 -35.846 6.612 ATOM 1 ? +1215 A A 173 1054 ? TYR TYR N N N 1 ? 1 ? 43.84 21.653 -34.469 7.202 ATOM 1 ? +1216 A A 173 1054 ? TYR TYR C CA CA 1 ? 1 ? 41.39 20.81 -33.282 7.148 ATOM 1 ? +1217 A A 173 1054 ? TYR TYR C C C 1 ? 1 ? 43.8 19.368 -33.528 7.603 ATOM 1 ? +1218 A A 173 1054 ? TYR TYR O O O 1 ? 1 ? 43.17 18.925 -34.672 7.733 ATOM 1 ? +1219 A A 173 1054 ? TYR TYR C CB CB 1 ? 1 ? 41.49 20.837 -32.674 5.727 ATOM 1 ? +1220 A A 173 1054 ? TYR TYR C CG CG 1 ? 1 ? 44.34 20.202 -33.549 4.667 ATOM 1 ? +1221 A A 173 1054 ? TYR TYR C CD1 CD1 1 ? 1 ? 46.94 20.97 -34.429 3.909 ATOM 1 ? +1222 A A 173 1054 ? TYR TYR C CD2 CD2 1 ? 1 ? 45.89 18.835 -33.492 4.413 ATOM 1 ? +1223 A A 173 1054 ? TYR TYR C CE1 CE1 1 ? 1 ? 49.15 20.388 -35.25 2.943 ATOM 1 ? +1224 A A 173 1054 ? TYR TYR C CE2 CE2 1 ? 1 ? 48.14 18.24 -34.316 3.46 ATOM 1 ? +1225 A A 173 1054 ? TYR TYR C CZ CZ 1 ? 1 ? 57.15 19.022 -35.188 2.719 ATOM 1 ? +1226 A A 173 1054 ? TYR TYR O OH OH 1 ? 1 ? 59.94 18.433 -35.984 1.763 ATOM 1 ? +1227 A A 174 1055 ? TYR TYR N N N 1 ? 1 ? 39.68 18.635 -32.429 7.813 ATOM 1 ? +1228 A A 174 1055 ? TYR TYR C CA CA 1 ? 1 ? 40.31 17.212 -32.44 8.128 ATOM 1 ? +1229 A A 174 1055 ? TYR TYR C C C 1 ? 1 ? 41.83 16.49 -31.933 6.88 ATOM 1 ? +1230 A A 174 1055 ? TYR TYR O O O 1 ? 1 ? 39.54 16.866 -30.894 6.331 ATOM 1 ? +1231 A A 174 1055 ? TYR TYR C CB CB 1 ? 1 ? 41.52 16.906 -31.545 9.343 ATOM 1 ? +1232 A A 174 1055 ? TYR TYR C CG CG 1 ? 1 ? 43.16 15.463 -31.092 9.432 ATOM 1 ? +1233 A A 174 1055 ? TYR TYR C CD1 CD1 1 ? 1 ? 46.5 14.482 -31.918 9.976 ATOM 1 ? +1234 A A 174 1055 ? TYR TYR C CD2 CD2 1 ? 1 ? 42.68 15.079 -29.829 8.985 ATOM 1 ? +1235 A A 174 1055 ? TYR TYR C CE1 CE1 1 ? 1 ? 46.73 13.151 -31.512 10.049 ATOM 1 ? +1236 A A 174 1055 ? TYR TYR C CE2 CE2 1 ? 1 ? 44.45 13.749 -29.415 9.044 ATOM 1 ? +1237 A A 174 1055 ? TYR TYR C CZ CZ 1 ? 1 ? 53.39 12.791 -30.256 9.587 ATOM 1 ? +1238 A A 174 1055 ? TYR TYR O OH OH 1 ? 1 ? 57.27 11.484 -29.843 9.648 ATOM 1 ? +1239 A A 175 1056 ? ARG ARG N N N 1 ? 1 ? 39.32 15.464 -32.666 6.434 ATOM 1 ? +1240 A A 175 1056 ? ARG ARG C CA CA 1 ? 1 ? 38.43 14.673 -32.285 5.268 ATOM 1 ? +1241 A A 175 1056 ? ARG ARG C C C 1 ? 1 ? 42.42 13.682 -31.178 5.673 ATOM 1 ? +1242 A A 175 1056 ? ARG ARG O O O 1 ? 1 ? 41.67 12.786 -31.417 6.489 ATOM 1 ? +1243 A A 175 1056 ? ARG ARG C CB CB 1 ? 1 ? 38.44 13.967 -33.516 4.677 ATOM 1 ? +1244 A A 175 1056 ? ARG ARG C CG CG 1 ? 1 ? 48.64 12.898 -33.212 3.608 ATOM 1 ? +1245 A A 175 1056 ? ARG ARG C CD CD 1 ? 1 ? 56.14 12.475 -34.424 2.784 ATOM 1 ? +1246 A A 175 1056 ? ARG ARG N NE NE 1 ? 1 ? 74.83 12.403 -35.671 3.553 ATOM 1 ? +1247 A A 175 1056 ? ARG ARG C CZ CZ 1 ? 1 ? 90.42 13.312 -36.643 3.504 ATOM 1 ? +1248 A A 175 1056 ? ARG ARG N NH1 NH1 1 ? 1 ? 72.02 14.377 -36.527 2.72 ATOM 1 ? +1249 A A 175 1056 ? ARG ARG N NH2 NH2 1 1 1 ? 84.14 13.167 -37.732 4.247 ATOM 1 ? +1250 A A 176 1057 ? VAL VAL N N N 1 ? 1 ? 39.14 13.868 -29.962 5.12 ATOM 1 ? +1251 A A 176 1057 ? VAL VAL C CA CA 1 ? 1 ? 39.68 12.992 -28.828 5.428 ATOM 1 ? +1252 A A 176 1057 ? VAL VAL C C C 1 ? 1 ? 48.21 11.643 -28.861 4.675 ATOM 1 ? +1253 A A 176 1057 ? VAL VAL O O O 1 ? 1 ? 47.78 11.604 -29.127 3.468 ATOM 1 ? +1254 A A 176 1057 ? VAL VAL C CB CB 1 ? 1 ? 41.37 13.697 -27.438 5.555 ATOM 1 ? +1255 A A 176 1057 ? VAL VAL C CG1 CG1 1 ? 1 ? 39.65 15.225 -27.557 5.482 ATOM 1 ? +1256 A A 176 1057 ? VAL VAL C CG2 CG2 1 ? 1 ? 40.46 13.166 -26.398 4.578 ATOM 1 ? +1257 A A 177 1058 ? ARG ARG N N N 1 ? 1 ? 49.4 10.544 -28.671 5.431 ATOM 1 ? +1258 A A 177 1058 ? ARG ARG C CA CA 1 ? 1 ? 52.14 9.153 -28.677 4.96 ATOM 1 ? +1259 A A 177 1058 ? ARG ARG C C C 1 ? 1 ? 57.72 8.765 -27.263 4.538 ATOM 1 ? +1260 A A 177 1058 ? ARG ARG O O O 1 ? 1 ? 60.69 7.929 -26.634 5.199 ATOM 1 ? +1261 A A 177 1058 ? ARG ARG C CB CB 1 ? 1 ? 54.69 8.216 -29.157 6.089 ATOM 1 ? +1262 A A 177 1058 ? ARG ARG C CG CG 1 ? 1 ? 66.08 7.833 -30.624 6.019 ATOM 1 ? +1263 A A 177 1058 ? ARG ARG C CD CD 1 ? 1 ? 74.71 7.546 -31.217 7.387 ATOM 1 ? +1264 A A 177 1058 ? ARG ARG N NE NE 1 ? 1 ? 85.03 6.386 -30.612 8.042 ATOM 1 ? +1265 A A 177 1058 ? ARG ARG C CZ CZ 1 ? 1 ? 105.06 6.458 -29.8 9.092 ATOM 1 ? +1266 A A 177 1058 ? ARG ARG N NH1 NH1 1 ? 1 ? 96.29 5.351 -29.304 9.63 ATOM 1 ? +1267 A A 177 1058 ? ARG ARG N NH2 NH2 1 1 1 ? 94.24 7.637 -29.478 9.614 ATOM 1 ? +1268 A A 178 1059 ? GLU GLU N N N 1 ? 1 ? 50.88 9.381 -26.758 3.45 ATOM 1 ? +1269 A A 178 1059 ? GLU GLU C CA CA 1 ? 1 ? 49.77 9.174 -25.405 2.913 ATOM 1 ? +1270 A A 178 1059 ? GLU GLU C C C 1 ? 1 ? 53.96 9.915 -24.317 3.721 ATOM 1 ? +1271 A A 178 1059 ? GLU GLU O O O 1 ? 1 ? 53.05 10.077 -24.456 4.938 ATOM 1 ? +1272 A A 178 1059 ? GLU GLU C CB CB 1 ? 1 ? 52.06 7.678 -25.072 2.777 ATOM 1 ? +1273 A A 178 1059 ? GLU GLU C CG CG 1 ? 1 ? 56.43 7.283 -24.489 1.439 ATOM 1 ? +1274 A A 178 1059 ? GLU GLU C CD CD 1 ? 1 ? 58.03 7.744 -25.244 0.21 ATOM 1 ? +1275 A A 178 1059 ? GLU GLU O OE1 OE1 1 ? 1 ? 46.56 8.647 -24.717 -0.471 ATOM 1 ? +1276 A A 178 1059 ? GLU GLU O OE2 OE2 1 -1 1 ? 44.5 7.212 -26.339 -0.087 ATOM 1 ? +1277 A A 179 1060 ? ASP ASP N N N 1 ? 1 ? 50.72 10.357 -23.229 3.041 ATOM 1 ? +1278 A A 179 1060 ? ASP ASP C CA CA 1 ? 1 ? 50.2 11.049 -22.107 3.693 ATOM 1 ? +1279 A A 179 1060 ? ASP ASP C C C 1 ? 1 ? 56.85 10.066 -21.113 4.356 ATOM 1 ? +1280 A A 179 1060 ? ASP ASP O O O 1 ? 1 ? 56.59 10.51 -20.138 4.955 ATOM 1 ? +1281 A A 179 1060 ? ASP ASP C CB CB 1 ? 1 ? 50.06 12.038 -21.381 2.744 ATOM 1 ? +1282 A A 179 1060 ? ASP ASP C CG CG 1 ? 1 ? 55.2 13.073 -22.257 2.043 ATOM 1 ? +1283 A A 179 1060 ? ASP ASP O OD1 OD1 1 ? 1 ? 53.77 13.733 -23.071 2.733 ATOM 1 ? +1284 A A 179 1060 ? ASP ASP O OD2 OD2 1 -1 1 ? 57.89 13.262 -22.086 0.806 ATOM 1 ? +1285 A A 180 1061 ? GLY GLY N N N 1 ? 1 ? 56.13 8.762 -21.398 4.258 ATOM 1 ? +1286 A A 180 1061 ? GLY GLY C CA CA 1 ? 1 ? 57.52 7.641 -20.644 4.83 ATOM 1 ? +1287 A A 180 1061 ? GLY GLY C C C 1 ? 1 ? 61.75 7.984 -19.41 5.641 ATOM 1 ? +1288 A A 180 1061 ? GLY GLY O O O 1 ? 1 ? 61.84 8.309 -18.367 5.062 ATOM 1 ? +1289 A A 181 1062 ? ASP ASP N N N 1 ? 1 ? 57.27 7.961 -19.538 6.989 ATOM 1 ? +1290 A A 181 1062 ? ASP ASP C CA CA 1 ? 1 ? 57.06 8.256 -18.454 7.928 ATOM 1 ? +1291 A A 181 1062 ? ASP ASP C C C 1 ? 1 ? 56.7 9.67 -18.625 8.548 ATOM 1 ? +1292 A A 181 1062 ? ASP ASP O O O 1 ? 1 ? 56.66 9.816 -18.748 9.772 ATOM 1 ? +1293 A A 181 1062 ? ASP ASP C CB CB 1 ? 1 ? 62.06 7.154 -18.378 9.015 ATOM 1 ? +1294 A A 181 1062 ? ASP ASP C CG CG 1 ? 1 ? 82.2 5.704 -18.342 8.521 ATOM 1 ? +1295 A A 181 1062 ? ASP ASP O OD1 OD1 1 ? 1 ? 83.94 5.489 -18.23 7.286 ATOM 1 ? +1296 A A 181 1062 ? ASP ASP O OD2 OD2 1 -1 1 ? 92.07 4.784 -18.427 9.368 ATOM 1 ? +1297 A A 182 1063 ? SER SER N N N 1 ? 1 ? 48.23 10.707 -18.626 7.683 ATOM 1 ? +1298 A A 182 1063 ? SER SER C CA CA 1 ? 1 ? 45.44 12.103 -18.823 8.07 ATOM 1 ? +1299 A A 182 1063 ? SER SER C C C 1 ? 1 ? 44.2 13.021 -17.638 7.705 ATOM 1 ? +1300 A A 182 1063 ? SER SER O O O 1 ? 1 ? 43.3 12.742 -16.942 6.734 ATOM 1 ? +1301 A A 182 1063 ? SER SER C CB CB 1 ? 1 ? 48.52 12.641 -20.12 7.471 ATOM 1 ? +1302 A A 182 1063 ? SER SER O OG OG 1 ? 1 ? 60.04 11.892 -21.243 7.911 ATOM 1 ? +1303 A A 183 1064 ? PRO PRO N N N 1 ? 1 ? 38.24 14.112 -17.375 8.467 ATOM 1 ? +1304 A A 183 1064 ? PRO PRO C CA CA 1 ? 1 ? 36.71 14.999 -16.253 8.111 ATOM 1 ? +1305 A A 183 1064 ? PRO PRO C C C 1 ? 1 ? 37.58 15.882 -16.625 6.912 ATOM 1 ? +1306 A A 183 1064 ? PRO PRO O O O 1 ? 1 ? 36.16 17.053 -16.947 7.066 ATOM 1 ? +1307 A A 183 1064 ? PRO PRO C CB CB 1 ? 1 ? 37.99 15.802 -16.022 9.397 ATOM 1 ? +1308 A A 183 1064 ? PRO PRO C CG CG 1 ? 1 ? 42.32 15.882 -17.363 10.019 ATOM 1 ? +1309 A A 183 1064 ? PRO PRO C CD CD 1 ? 1 ? 39.22 14.601 -18.079 9.675 ATOM 1 ? +1310 A A 184 1065 ? VAL VAL N N N 1 ? 1 ? 33.39 15.29 -16.593 5.719 ATOM 1 ? +1311 A A 184 1065 ? VAL VAL C CA CA 1 ? 1 ? 32.15 15.917 -16.947 4.446 ATOM 1 ? +1312 A A 184 1065 ? VAL VAL C C C 1 ? 1 ? 33.22 17.184 -16.153 4.13 ATOM 1 ? +1313 A A 184 1065 ? VAL VAL O O O 1 ? 1 ? 32.87 18.082 -16.689 3.48 ATOM 1 ? +1314 A A 184 1065 ? VAL VAL C CB CB 1 ? 1 ? 36.41 14.907 -16.992 3.264 ATOM 1 ? +1315 A A 184 1065 ? VAL VAL C CG1 CG1 1 ? 1 ? 36.62 13.879 -18.109 3.469 ATOM 1 ? +1316 A A 184 1065 ? VAL VAL C CG2 CG2 1 ? 1 ? 36.96 14.214 -15.641 3.068 ATOM 1 ? +1317 A A 185 1066 ? PHE PHE N N N 1 ? 1 ? 27.99 17.263 -14.896 4.602 ATOM 1 ? +1318 A A 185 1066 ? PHE PHE C CA CA 1 ? 1 ? 27.71 18.429 -14.04 4.385 ATOM 1 ? +1319 A A 185 1066 ? PHE PHE C C C 1 ? 1 ? 29.64 19.659 -14.413 5.259 ATOM 1 ? +1320 A A 185 1066 ? PHE PHE O O O 1 ? 1 ? 29.05 20.735 -13.826 5.106 ATOM 1 ? +1321 A A 185 1066 ? PHE PHE C CB CB 1 ? 1 ? 30.75 18.047 -12.546 4.443 ATOM 1 ? +1322 A A 185 1066 ? PHE PHE C CG CG 1 ? 1 ? 33.72 17.227 -12.084 3.255 ATOM 1 ? +1323 A A 185 1066 ? PHE PHE C CD1 CD1 1 ? 1 ? 36.41 17.782 -12.03 1.98 ATOM 1 ? +1324 A A 185 1066 ? PHE PHE C CD2 CD2 1 ? 1 ? 38.02 15.903 -11.694 3.411 ATOM 1 ? +1325 A A 185 1066 ? PHE PHE C CE1 CE1 1 ? 1 ? 37.55 17.022 -11.605 0.882 ATOM 1 ? +1326 A A 185 1066 ? PHE PHE C CE2 CE2 1 ? 1 ? 40.93 15.151 -11.26 2.313 ATOM 1 ? +1327 A A 185 1066 ? PHE PHE C CZ CZ 1 ? 1 ? 37.6 15.717 -11.222 1.055 ATOM 1 ? +1328 A A 186 1067 ? TRP TRP N N N 1 ? 1 ? 25.4 19.489 -15.417 6.144 ATOM 1 ? +1329 A A 186 1067 ? TRP TRP C CA CA 1 ? 1 ? 24.67 20.516 -15.999 7.014 ATOM 1 ? +1330 A A 186 1067 ? TRP TRP C C C 1 ? 1 ? 29.95 20.767 -17.447 6.558 ATOM 1 ? +1331 A A 186 1067 ? TRP TRP O O O 1 ? 1 ? 30.29 21.49 -18.192 7.233 ATOM 1 ? +1332 A A 186 1067 ? TRP TRP C CB CB 1 ? 1 ? 23.58 20.042 -15.989 8.484 ATOM 1 ? +1333 A A 186 1067 ? TRP TRP C CG CG 1 ? 1 ? 25.14 20.264 -14.676 9.185 ATOM 1 ? +1334 A A 186 1067 ? TRP TRP C CD1 CD1 1 ? 1 ? 27.73 21.251 -14.378 10.079 ATOM 1 ? +1335 A A 186 1067 ? TRP TRP C CD2 CD2 1 ? 1 ? 25.88 19.47 -13.483 9.048 ATOM 1 ? +1336 A A 186 1067 ? TRP TRP N NE1 NE1 1 ? 1 ? 28.2 21.144 -13.065 10.483 ATOM 1 ? +1337 A A 186 1067 ? TRP TRP C CE2 CE2 1 ? 1 ? 30.43 20.046 -12.498 9.884 ATOM 1 ? +1338 A A 186 1067 ? TRP TRP C CE3 CE3 1 ? 1 ? 27.67 18.301 -13.163 8.329 ATOM 1 ? +1339 A A 186 1067 ? TRP TRP C CZ2 CZ2 1 ? 1 ? 31.02 19.49 -11.214 10.024 ATOM 1 ? +1340 A A 186 1067 ? TRP TRP C CZ3 CZ3 1 ? 1 ? 30.21 17.767 -11.886 8.454 ATOM 1 ? +1341 A A 186 1067 ? TRP TRP C CH2 CH2 1 ? 1 ? 31.32 18.364 -10.924 9.283 ATOM 1 ? +1342 A A 187 1068 ? TYR TYR N N N 1 ? 1 ? 26.63 20.176 -17.842 5.41 ATOM 1 ? +1343 A A 187 1068 ? TYR TYR C CA CA 1 ? 1 ? 26.99 20.227 -19.216 4.916 ATOM 1 ? +1344 A A 187 1068 ? TYR TYR C C C 1 ? 1 ? 30.05 21.138 -19.505 3.755 ATOM 1 ? +1345 A A 187 1068 ? TYR TYR O O O 1 ? 1 ? 29.09 21.151 -18.774 2.76 ATOM 1 ? +1346 A A 187 1068 ? TYR TYR C CB CB 1 ? 1 ? 29.55 18.821 -19.722 4.577 ATOM 1 ? +1347 A A 187 1068 ? TYR TYR C CG CG 1 ? 1 ? 31.85 17.996 -20.223 5.742 ATOM 1 ? +1348 A A 187 1068 ? TYR TYR C CD1 CD1 1 ? 1 ? 33.36 18.404 -20.013 7.058 ATOM 1 ? +1349 A A 187 1068 ? TYR TYR C CD2 CD2 1 ? 1 ? 33.83 16.794 -20.888 5.53 ATOM 1 ? +1350 A A 187 1068 ? TYR TYR C CE1 CE1 1 ? 1 ? 34.92 17.639 -20.465 8.132 ATOM 1 ? +1351 A A 187 1068 ? TYR TYR C CE2 CE2 1 ? 1 ? 35.53 16.019 -21.337 6.596 ATOM 1 ? +1352 A A 187 1068 ? TYR TYR C CZ CZ 1 ? 1 ? 40.54 16.447 -21.128 7.893 ATOM 1 ? +1353 A A 187 1068 ? TYR TYR O OH OH 1 ? 1 ? 43.35 15.684 -21.596 8.929 ATOM 1 ? +1354 A A 188 1069 ? ALA ALA N N N 1 ? 1 ? 25.58 21.84 -20.643 3.868 ATOM 1 ? +1355 A A 188 1069 ? ALA ALA C CA CA 1 ? 1 ? 24.22 22.753 -21.202 2.88 ATOM 1 ? +1356 A A 188 1069 ? ALA ALA C C C 1 ? 1 ? 27.68 21.996 -21.619 1.616 ATOM 1 ? +1357 A A 188 1069 ? ALA ALA O O O 1 ? 1 ? 28.57 20.828 -21.988 1.728 ATOM 1 ? +1358 A A 188 1069 ? ALA ALA C CB CB 1 ? 1 ? 24.65 23.454 -22.405 3.483 ATOM 1 ? +1359 A A 189 1070 ? PRO PRO N N N 1 ? 1 ? 25.02 22.621 -21.618 0.413 ATOM 1 ? +1360 A A 189 1070 ? PRO PRO C CA CA 1 ? 1 ? 25.71 21.87 -21.995 -0.804 ATOM 1 ? +1361 A A 189 1070 ? PRO PRO C C C 1 ? 1 ? 30.12 21.179 -23.354 -0.79 ATOM 1 ? +1362 A A 189 1070 ? PRO PRO O O O 1 ? 1 ? 30.11 20.111 -23.457 -1.392 ATOM 1 ? +1363 A A 189 1070 ? PRO PRO C CB CB 1 ? 1 ? 27.16 22.911 -21.891 -1.926 ATOM 1 ? +1364 A A 189 1070 ? PRO PRO C CG CG 1 ? 1 ? 30.36 24.234 -21.859 -1.227 ATOM 1 ? +1365 A A 189 1070 ? PRO PRO C CD CD 1 ? 1 ? 25.47 23.991 -21.192 0.069 ATOM 1 ? +1366 A A 190 1071 ? GLU GLU N N N 1 ? 1 ? 26.76 21.75 -24.378 -0.09 ATOM 1 ? +1367 A A 190 1071 ? GLU GLU C CA CA 1 ? 1 ? 27.38 21.151 -25.731 -0.023 ATOM 1 ? +1368 A A 190 1071 ? GLU GLU C C C 1 ? 1 ? 32.45 19.784 -25.789 0.687 ATOM 1 ? +1369 A A 190 1071 ? GLU GLU O O O 1 ? 1 ? 34.16 18.985 -26.67 0.38 ATOM 1 ? +1370 A A 190 1071 ? GLU GLU C CB CB 1 ? 1 ? 28.78 22.123 -26.78 0.551 ATOM 1 ? +1371 A A 190 1071 ? GLU GLU C CG CG 1 ? 1 ? 34.82 22.448 -26.632 2.038 ATOM 1 ? +1372 A A 190 1071 ? GLU GLU C CD CD 1 ? 1 ? 39.14 23.553 -25.663 2.412 ATOM 1 ? +1373 A A 190 1071 ? GLU GLU O OE1 OE1 1 ? 1 ? 34.7 24.053 -24.945 1.519 ATOM 1 ? +1374 A A 190 1071 ? GLU GLU O OE2 OE2 1 -1 1 ? 32.42 23.895 -25.593 3.614 ATOM 1 ? +1375 A A 191 1072 ? CYS CYS N N N 1 ? 1 ? 27.86 19.524 -24.859 1.624 ATOM 1 ? +1376 A A 191 1072 ? CYS CYS C CA CA 1 ? 1 ? 28.9 18.26 -24.777 2.362 ATOM 1 ? +1377 A A 191 1072 ? CYS CYS C C C 1 ? 1 ? 32.94 17.138 -24.28 1.441 ATOM 1 ? +1378 A A 191 1072 ? CYS CYS O O O 1 ? 1 ? 32.84 16.005 -24.749 1.548 ATOM 1 ? +1379 A A 191 1072 ? CYS CYS C CB CB 1 ? 1 ? 29.02 18.392 -23.884 3.594 ATOM 1 ? +1380 A A 191 1072 ? CYS CYS S SG SG 1 ? 1 ? 32.56 19.875 -24.183 4.591 ATOM 1 ? +1381 A A 192 1073 ? LEU LEU N N N 1 ? 1 ? 28.58 17.473 -23.337 0.533 ATOM 1 ? +1382 A A 192 1073 ? LEU LEU C CA CA 1 ? 1 ? 27.63 16.548 -22.689 -0.402 ATOM 1 ? +1383 A A 192 1073 ? LEU LEU C C C 1 ? 1 ? 32.19 16.306 -23.519 -1.649 ATOM 1 ? +1384 A A 192 1073 ? LEU LEU O O O 1 ? 1 ? 33.17 15.175 -23.609 -2.119 ATOM 1 ? +1385 A A 192 1073 ? LEU LEU C CB CB 1 ? 1 ? 26.44 17.108 -21.308 -0.802 ATOM 1 ? +1386 A A 192 1073 ? LEU LEU C CG CG 1 ? 1 ? 29.82 17.58 -20.376 0.327 ATOM 1 ? +1387 A A 192 1073 ? LEU LEU C CD1 CD1 1 ? 1 ? 29.57 18.29 -19.183 -0.235 ATOM 1 ? +1388 A A 192 1073 ? LEU LEU C CD2 CD2 1 ? 1 ? 28.26 16.434 -19.945 1.246 ATOM 1 ? +1389 A A 193 1074 ? LYS LYS N N N 1 ? 1 ? 27.38 17.378 -24.114 -2.186 ATOM 1 ? +1390 A A 193 1074 ? LYS LYS C CA CA 1 ? 1 ? 26.58 17.375 -24.916 -3.401 ATOM 1 ? +1391 A A 193 1074 ? LYS LYS C C C 1 ? 1 ? 30.34 16.998 -26.387 -3.155 ATOM 1 ? +1392 A A 193 1074 ? LYS LYS O O O 1 ? 1 ? 28.26 16.12 -26.91 -3.844 ATOM 1 ? +1393 A A 193 1074 ? LYS LYS C CB CB 1 ? 1 ? 26.68 18.763 -24.82 -4.074 ATOM 1 ? +1394 A A 193 1074 ? LYS LYS C CG CG 1 ? 1 ? 37.44 18.842 -25.436 -5.467 ATOM 1 ? +1395 A A 193 1074 ? LYS LYS C CD CD 1 ? 1 ? 43.83 20.299 -25.604 -5.91 ATOM 1 ? +1396 A A 193 1074 ? LYS LYS C CE CE 1 ? 1 ? 53.43 20.431 -26.226 -7.281 ATOM 1 ? +1397 A A 193 1074 ? LYS LYS N NZ NZ 1 1 1 ? 63.14 20.262 -25.23 -8.37 ATOM 1 ? +1398 A A 194 1075 ? GLU GLU N N N 1 ? 1 ? 27.39 17.694 -27.061 -2.205 ATOM 1 ? +1399 A A 194 1075 ? GLU GLU C CA CA 1 ? 1 ? 27.37 17.523 -28.5 -1.964 ATOM 1 ? +1400 A A 194 1075 ? GLU GLU C C C 1 ? 1 ? 30.67 16.698 -28.837 -0.757 ATOM 1 ? +1401 A A 194 1075 ? GLU GLU O O O 1 ? 1 ? 32.39 16.449 -30.018 -0.531 ATOM 1 ? +1402 A A 194 1075 ? GLU GLU C CB CB 1 ? 1 ? 28.69 18.891 -29.188 -1.838 ATOM 1 ? +1403 A A 194 1075 ? GLU GLU C CG CG 1 ? 1 ? 40.32 19.805 -29.02 -3.035 ATOM 1 ? +1404 A A 194 1075 ? GLU GLU C CD CD 1 ? 1 ? 54.95 21.204 -29.544 -2.786 ATOM 1 ? +1405 A A 194 1075 ? GLU GLU O OE1 OE1 1 ? 1 ? 53.86 21.348 -30.768 -2.56 ATOM 1 ? +1406 A A 194 1075 ? GLU GLU O OE2 OE2 1 -1 1 ? 46.51 22.158 -28.733 -2.835 ATOM 1 ? +1407 A A 195 1076 ? TYR TYR N N N 1 ? 1 ? 26.11 16.304 -27.834 0.05 ATOM 1 ? +1408 A A 195 1076 ? TYR TYR C CA CA 1 ? 1 ? 26.76 15.518 -28.032 1.284 ATOM 1 ? +1409 A A 195 1076 ? TYR TYR C C C 1 ? 1 ? 30.05 16.248 -28.963 2.253 ATOM 1 ? +1410 A A 195 1076 ? TYR TYR O O O 1 ? 1 ? 28.63 15.666 -29.876 2.844 ATOM 1 ? +1411 A A 195 1076 ? TYR TYR C CB CB 1 ? 1 ? 28.99 14.073 -28.487 0.976 ATOM 1 ? +1412 A A 195 1076 ? TYR TYR C CG CG 1 ? 1 ? 30.27 13.285 -27.42 0.26 ATOM 1 ? +1413 A A 195 1076 ? TYR TYR C CD1 CD1 1 ? 1 ? 31.85 13.24 -27.375 -1.131 ATOM 1 ? +1414 A A 195 1076 ? TYR TYR C CD2 CD2 1 ? 1 ? 31.35 12.62 -26.426 0.967 ATOM 1 ? +1415 A A 195 1076 ? TYR TYR C CE1 CE1 1 ? 1 ? 31.93 12.551 -26.368 -1.798 ATOM 1 ? +1416 A A 195 1076 ? TYR TYR C CE2 CE2 1 ? 1 ? 32.59 11.916 -25.42 0.31 ATOM 1 ? +1417 A A 195 1076 ? TYR TYR C CZ CZ 1 ? 1 ? 36.3 11.873 -25.404 -1.073 ATOM 1 ? +1418 A A 195 1076 ? TYR TYR O OH OH 1 ? 1 ? 36.83 11.2 -24.404 -1.722 ATOM 1 ? +1419 A A 196 1077 ? LYS LYS N N N 1 ? 1 ? 28 17.564 -28.743 2.336 ATOM 1 ? +1420 A A 196 1077 ? LYS LYS C CA CA 1 ? 1 ? 28.43 18.49 -29.507 3.152 ATOM 1 ? +1421 A A 196 1077 ? LYS LYS C C C 1 ? 1 ? 31.34 19.075 -28.592 4.197 ATOM 1 ? +1422 A A 196 1077 ? LYS LYS O O O 1 ? 1 ? 30.02 19.501 -27.476 3.882 ATOM 1 ? +1423 A A 196 1077 ? LYS LYS C CB CB 1 ? 1 ? 30.36 19.618 -30.077 2.277 ATOM 1 ? +1424 A A 196 1077 ? LYS LYS C CG CG 1 ? 1 ? 44.48 19.216 -31.28 1.429 ATOM 1 ? +1425 A A 196 1077 ? LYS LYS C CD CD 1 ? 1 ? 54.04 20.401 -31.731 0.594 ATOM 1 ? +1426 A A 196 1077 ? LYS LYS C CE CE 1 ? 1 ? 64.19 20.215 -33.099 -0.003 ATOM 1 ? +1427 A A 196 1077 ? LYS LYS N NZ NZ 1 1 1 ? 73.89 21.524 -33.719 -0.336 ATOM 1 ? +1428 A A 197 1078 ? PHE PHE N N N 1 ? 1 ? 27.98 19.077 -29.049 5.445 ATOM 1 ? +1429 A A 197 1078 ? PHE PHE C CA CA 1 ? 1 ? 26.53 19.69 -28.294 6.528 ATOM 1 ? +1430 A A 197 1078 ? PHE PHE C C C 1 ? 1 ? 29.71 20.722 -29.188 7.215 ATOM 1 ? +1431 A A 197 1078 ? PHE PHE O O O 1 ? 1 ? 30.95 20.36 -30.124 7.931 ATOM 1 ? +1432 A A 197 1078 ? PHE PHE C CB CB 1 ? 1 ? 28.42 18.655 -27.706 7.524 ATOM 1 ? +1433 A A 197 1078 ? PHE PHE C CG CG 1 ? 1 ? 28.75 19.187 -26.48 8.24 ATOM 1 ? +1434 A A 197 1078 ? PHE PHE C CD1 CD1 1 ? 1 ? 31 18.801 -25.204 7.848 ATOM 1 ? +1435 A A 197 1078 ? PHE PHE C CD2 CD2 1 ? 1 ? 28.57 20.141 -26.599 9.248 ATOM 1 ? +1436 A A 197 1078 ? PHE PHE C CE1 CE1 1 ? 1 ? 31.08 19.345 -24.072 8.466 ATOM 1 ? +1437 A A 197 1078 ? PHE PHE C CE2 CE2 1 ? 1 ? 30.45 20.676 -25.47 9.866 ATOM 1 ? +1438 A A 197 1078 ? PHE PHE C CZ CZ 1 ? 1 ? 28.69 20.286 -24.215 9.466 ATOM 1 ? +1439 A A 198 1079 ? TYR TYR N N N 1 ? 1 ? 24.67 22.003 -28.92 6.941 ATOM 1 ? +1440 A A 198 1079 ? TYR TYR C CA CA 1 ? 1 ? 24.13 23.165 -29.613 7.506 ATOM 1 ? +1441 A A 198 1079 ? TYR TYR C C C 1 ? 1 ? 28.7 23.62 -28.823 8.729 ATOM 1 ? +1442 A A 198 1079 ? TYR TYR O O O 1 ? 1 ? 27.31 23.238 -27.661 8.893 ATOM 1 ? +1443 A A 198 1079 ? TYR TYR C CB CB 1 ? 1 ? 24.63 24.344 -29.564 6.5 ATOM 1 ? +1444 A A 198 1079 ? TYR TYR C CG CG 1 ? 1 ? 28 24.116 -30.21 5.155 ATOM 1 ? +1445 A A 198 1079 ? TYR TYR C CD1 CD1 1 ? 1 ? 31.66 24.318 -31.576 4.972 ATOM 1 ? +1446 A A 198 1079 ? TYR TYR C CD2 CD2 1 ? 1 ? 28.67 23.815 -29.441 4.035 ATOM 1 ? +1447 A A 198 1079 ? TYR TYR C CE1 CE1 1 ? 1 ? 32.75 24.16 -32.171 3.718 ATOM 1 ? +1448 A A 198 1079 ? TYR TYR C CE2 CE2 1 ? 1 ? 29.72 23.662 -30.021 2.776 ATOM 1 ? +1449 A A 198 1079 ? TYR TYR C CZ CZ 1 ? 1 ? 39.68 23.828 -31.389 2.623 ATOM 1 ? +1450 A A 198 1079 ? TYR TYR O OH OH 1 ? 1 ? 43.51 23.663 -31.962 1.386 ATOM 1 ? +1451 A A 199 1080 ? TYR TYR N N N 1 ? 1 ? 26.81 24.542 -29.397 9.525 ATOM 1 ? +1452 A A 199 1080 ? TYR TYR C CA CA 1 ? 1 ? 26.07 25.19 -28.668 10.617 ATOM 1 ? +1453 A A 199 1080 ? TYR TYR C C C 1 ? 1 ? 28.04 25.941 -27.472 9.984 ATOM 1 ? +1454 A A 199 1080 ? TYR TYR O O O 1 ? 1 ? 28.74 25.954 -26.382 10.552 ATOM 1 ? +1455 A A 199 1080 ? TYR TYR C CB CB 1 ? 1 ? 27.34 26.173 -29.577 11.368 ATOM 1 ? +1456 A A 199 1080 ? TYR TYR C CG CG 1 ? 1 ? 29 25.513 -30.696 12.139 ATOM 1 ? +1457 A A 199 1080 ? TYR TYR C CD1 CD1 1 ? 1 ? 31.35 24.769 -30.435 13.288 ATOM 1 ? +1458 A A 199 1080 ? TYR TYR C CD2 CD2 1 ? 1 ? 30.61 25.68 -32.021 11.759 ATOM 1 ? +1459 A A 199 1080 ? TYR TYR C CE1 CE1 1 ? 1 ? 33.33 24.194 -31.467 14.029 ATOM 1 ? +1460 A A 199 1080 ? TYR TYR C CE2 CE2 1 ? 1 ? 32.86 25.102 -33.061 12.484 ATOM 1 ? +1461 A A 199 1080 ? TYR TYR C CZ CZ 1 ? 1 ? 42.29 24.362 -32.78 13.62 ATOM 1 ? +1462 A A 199 1080 ? TYR TYR O OH OH 1 ? 1 ? 46.33 23.799 -33.811 14.331 ATOM 1 ? +1463 A A 200 1081 ? ALA ALA N N N 1 ? 1 ? 22.95 26.449 -27.658 8.752 ATOM 1 ? +1464 A A 200 1081 ? ALA ALA C CA CA 1 ? 1 ? 21.95 27.123 -26.621 7.964 ATOM 1 ? +1465 A A 200 1081 ? ALA ALA C C C 1 ? 1 ? 25.67 26.194 -25.471 7.562 ATOM 1 ? +1466 A A 200 1081 ? ALA ALA O O O 1 ? 1 ? 26.73 26.681 -24.362 7.35 ATOM 1 ? +1467 A A 200 1081 ? ALA ALA C CB CB 1 ? 1 ? 22.26 27.78 -27.23 6.728 ATOM 1 ? +1468 A A 201 1082 ? SER SER N N N 1 ? 1 ? 22.08 24.869 -25.707 7.496 ATOM 1 ? +1469 A A 201 1082 ? SER SER C CA CA 1 ? 1 ? 21.63 23.9 -24.645 7.176 ATOM 1 ? +1470 A A 201 1082 ? SER SER C C C 1 ? 1 ? 25.26 23.834 -23.629 8.323 ATOM 1 ? +1471 A A 201 1082 ? SER SER O O O 1 ? 1 ? 25.38 23.768 -22.428 8.063 ATOM 1 ? +1472 A A 201 1082 ? SER SER C CB CB 1 ? 1 ? 24.17 22.524 -25.22 6.855 ATOM 1 ? +1473 A A 201 1082 ? SER SER O OG OG 1 ? 1 ? 26.38 22.593 -26.339 5.987 ATOM 1 ? +1474 A A 202 1083 ? ASP ASP N N N 1 ? 1 ? 22.07 23.942 -24.103 9.583 ATOM 1 ? +1475 A A 202 1083 ? ASP ASP C CA CA 1 ? 1 ? 22.78 24.02 -23.246 10.777 ATOM 1 ? +1476 A A 202 1083 ? ASP ASP C C C 1 ? 1 ? 27.59 25.3 -22.368 10.782 ATOM 1 ? +1477 A A 202 1083 ? ASP ASP O O O 1 ? 1 ? 27.87 25.272 -21.257 11.32 ATOM 1 ? +1478 A A 202 1083 ? ASP ASP C CB CB 1 ? 1 ? 25.03 23.965 -24.084 12.072 ATOM 1 ? +1479 A A 202 1083 ? ASP ASP C CG CG 1 ? 1 ? 35.31 22.575 -24.272 12.648 ATOM 1 ? +1480 A A 202 1083 ? ASP ASP O OD1 OD1 1 ? 1 ? 35.77 21.699 -23.412 12.392 ATOM 1 ? +1481 A A 202 1083 ? ASP ASP O OD2 OD2 1 -1 1 ? 41.55 22.376 -25.245 13.401 ATOM 1 ? +1482 A A 203 1084 ? VAL VAL N N N 1 ? 1 ? 23.69 26.409 -22.868 10.175 ATOM 1 ? +1483 A A 203 1084 ? VAL VAL C CA CA 1 ? 1 ? 22.92 27.689 -22.141 10.073 ATOM 1 ? +1484 A A 203 1084 ? VAL VAL C C C 1 ? 1 ? 26.99 27.516 -20.932 9.156 ATOM 1 ? +1485 A A 203 1084 ? VAL VAL O O O 1 ? 1 ? 26.6 28.032 -19.85 9.456 ATOM 1 ? +1486 A A 203 1084 ? VAL VAL C CB CB 1 ? 1 ? 25.11 28.874 -23.069 9.658 ATOM 1 ? +1487 A A 203 1084 ? VAL VAL C CG1 CG1 1 ? 1 ? 24.37 30.137 -22.271 9.313 ATOM 1 ? +1488 A A 203 1084 ? VAL VAL C CG2 CG2 1 ? 1 ? 24.26 29.161 -24.103 10.744 ATOM 1 ? +1489 A A 204 1085 ? TRP TRP N N N 1 ? 1 ? 24.26 26.752 -21.109 8.063 ATOM 1 ? +1490 A A 204 1085 ? TRP TRP C CA CA 1 ? 1 ? 23.97 26.443 -20.028 7.126 ATOM 1 ? +1491 A A 204 1085 ? TRP TRP C C C 1 ? 1 ? 27.76 25.69 -18.906 7.862 ATOM 1 ? +1492 A A 204 1085 ? TRP TRP O O O 1 ? 1 ? 27.66 26.061 -17.743 7.719 ATOM 1 ? +1493 A A 204 1085 ? TRP TRP C CB CB 1 ? 1 ? 22.38 25.65 -20.557 5.906 ATOM 1 ? +1494 A A 204 1085 ? TRP TRP C CG CG 1 ? 1 ? 23.04 25.166 -19.478 4.982 ATOM 1 ? +1495 A A 204 1085 ? TRP TRP C CD1 CD1 1 ? 1 ? 26.36 24.224 -18.525 5.257 ATOM 1 ? +1496 A A 204 1085 ? TRP TRP C CD2 CD2 1 ? 1 ? 22.82 25.573 -19.261 3.627 ATOM 1 ? +1497 A A 204 1085 ? TRP TRP N NE1 NE1 1 ? 1 ? 26.47 24.04 -17.712 4.168 ATOM 1 ? +1498 A A 204 1085 ? TRP TRP C CE2 CE2 1 ? 1 ? 27.39 24.854 -18.14 3.148 ATOM 1 ? +1499 A A 204 1085 ? TRP TRP C CE3 CE3 1 ? 1 ? 23.86 26.457 -19.922 2.755 ATOM 1 ? +1500 A A 204 1085 ? TRP TRP C CZ2 CZ2 1 ? 1 ? 26.62 25.017 -17.646 1.852 ATOM 1 ? +1501 A A 204 1085 ? TRP TRP C CZ3 CZ3 1 ? 1 ? 25.67 26.619 -19.431 1.469 ATOM 1 ? +1502 A A 204 1085 ? TRP TRP C CH2 CH2 1 ? 1 ? 26.81 25.92 -18.296 1.033 ATOM 1 ? +1503 A A 205 1086 ? SER SER N N N 1 ? 1 ? 25.8 24.673 -19.261 8.677 ATOM 1 ? +1504 A A 205 1086 ? SER SER C CA CA 1 ? 1 ? 25.93 23.876 -18.302 9.485 ATOM 1 ? +1505 A A 205 1086 ? SER SER C C C 1 ? 1 ? 28.36 24.775 -17.58 10.469 ATOM 1 ? +1506 A A 205 1086 ? SER SER O O O 1 ? 1 ? 28.26 24.613 -16.37 10.675 ATOM 1 ? +1507 A A 205 1086 ? SER SER C CB CB 1 ? 1 ? 27.56 22.733 -19 10.225 ATOM 1 ? +1508 A A 205 1086 ? SER SER O OG OG 1 ? 1 ? 29.4 21.945 -19.782 9.341 ATOM 1 ? +1509 A A 206 1087 ? PHE PHE N N N 1 ? 1 ? 24.38 25.75 -18.317 11.051 ATOM 1 ? +1510 A A 206 1087 ? PHE PHE C CA CA 1 ? 1 ? 25.15 26.73 -17.727 11.964 ATOM 1 ? +1511 A A 206 1087 ? PHE PHE C C C 1 ? 1 ? 29.65 27.529 -16.655 11.237 ATOM 1 ? +1512 A A 206 1087 ? PHE PHE O O O 1 ? 1 ? 29.98 27.768 -15.599 11.814 ATOM 1 ? +1513 A A 206 1087 ? PHE PHE C CB CB 1 ? 1 ? 27.36 27.657 -18.785 12.593 ATOM 1 ? +1514 A A 206 1087 ? PHE PHE C CG CG 1 ? 1 ? 29.54 28.885 -18.16 13.207 ATOM 1 ? +1515 A A 206 1087 ? PHE PHE C CD1 CD1 1 ? 1 ? 33.33 28.797 -17.436 14.395 ATOM 1 ? +1516 A A 206 1087 ? PHE PHE C CD2 CD2 1 ? 1 ? 30.98 30.112 -18.21 12.55 ATOM 1 ? +1517 A A 206 1087 ? PHE PHE C CE1 CE1 1 ? 1 ? 34.59 29.917 -16.786 14.917 ATOM 1 ? +1518 A A 206 1087 ? PHE PHE C CE2 CE2 1 ? 1 ? 33.92 31.231 -17.554 13.074 ATOM 1 ? +1519 A A 206 1087 ? PHE PHE C CZ CZ 1 ? 1 ? 32.88 31.124 -16.844 14.247 ATOM 1 ? +1520 A A 207 1088 ? GLY GLY N N N 1 ? 1 ? 26.43 27.91 -16.937 9.98 ATOM 1 ? +1521 A A 207 1088 ? GLY GLY C CA CA 1 ? 1 ? 26.3 28.634 -16.009 9.116 ATOM 1 ? +1522 A A 207 1088 ? GLY GLY C C C 1 ? 1 ? 29.68 27.884 -14.709 8.926 ATOM 1 ? +1523 A A 207 1088 ? GLY GLY O O O 1 ? 1 ? 30.41 28.483 -13.63 8.957 ATOM 1 ? +1524 A A 208 1089 ? VAL VAL N N N 1 ? 1 ? 25.95 26.557 -14.817 8.754 ATOM 1 ? +1525 A A 208 1089 ? VAL VAL C CA CA 1 ? 1 ? 26.09 25.636 -13.685 8.616 ATOM 1 ? +1526 A A 208 1089 ? VAL VAL C C C 1 ? 1 ? 30.29 25.507 -12.966 9.976 ATOM 1 ? +1527 A A 208 1089 ? VAL VAL O O O 1 ? 1 ? 31.7 25.55 -11.732 10.019 ATOM 1 ? +1528 A A 208 1089 ? VAL VAL C CB CB 1 ? 1 ? 29.51 24.253 -14.101 8.026 ATOM 1 ? +1529 A A 208 1089 ? VAL VAL C CG1 CG1 1 ? 1 ? 30.08 23.382 -12.876 7.787 ATOM 1 ? +1530 A A 208 1089 ? VAL VAL C CG2 CG2 1 ? 1 ? 27.74 24.409 -14.9 6.721 ATOM 1 ? +1531 A A 209 1090 ? THR THR N N N 1 ? 1 ? 25.71 25.388 -13.735 11.086 ATOM 1 ? +1532 A A 209 1090 ? THR THR C CA CA 1 ? 1 ? 25.97 25.316 -13.178 12.455 ATOM 1 ? +1533 A A 209 1090 ? THR THR C C C 1 ? 1 ? 29.6 26.627 -12.41 12.753 ATOM 1 ? +1534 A A 209 1090 ? THR THR O O O 1 ? 1 ? 30.03 26.577 -11.318 13.317 ATOM 1 ? +1535 A A 209 1090 ? THR THR C CB CB 1 ? 1 ? 34.61 25.003 -14.287 13.493 ATOM 1 ? +1536 A A 209 1090 ? THR THR O OG1 OG1 1 ? 1 ? 36.36 23.835 -15.003 13.09 ATOM 1 ? +1537 A A 209 1090 ? THR THR C CG2 CG2 1 ? 1 ? 33.2 24.793 -13.745 14.918 ATOM 1 ? +1538 A A 210 1091 ? LEU LEU N N N 1 ? 1 ? 24.96 27.787 -12.964 12.327 ATOM 1 ? +1539 A A 210 1091 ? LEU LEU C CA CA 1 ? 1 ? 24.72 29.119 -12.344 12.472 ATOM 1 ? +1540 A A 210 1091 ? LEU LEU C C C 1 ? 1 ? 29.97 29.155 -11.02 11.686 ATOM 1 ? +1541 A A 210 1091 ? LEU LEU O O O 1 ? 1 ? 29.61 29.665 -10.021 12.196 ATOM 1 ? +1542 A A 210 1091 ? LEU LEU C CB CB 1 ? 1 ? 23.1 30.235 -13.325 12.016 ATOM 1 ? +1543 A A 210 1091 ? LEU LEU C CG CG 1 ? 1 ? 27.11 31.713 -12.849 12.041 ATOM 1 ? +1544 A A 210 1091 ? LEU LEU C CD1 CD1 1 ? 1 ? 27.91 32.146 -12.341 13.424 ATOM 1 ? +1545 A A 210 1091 ? LEU LEU C CD2 CD2 1 ? 1 ? 26.37 32.656 -13.972 11.599 ATOM 1 ? +1546 A A 211 1092 ? TYR TYR N N N 1 ? 1 ? 27.66 28.561 -11.015 10.457 ATOM 1 ? +1547 A A 211 1092 ? TYR TYR C CA CA 1 ? 1 ? 28.12 28.398 -9.815 9.628 ATOM 1 ? +1548 A A 211 1092 ? TYR TYR C C C 1 ? 1 ? 32.99 27.562 -8.783 10.416 ATOM 1 ? +1549 A A 211 1092 ? TYR TYR O O O 1 ? 1 ? 34.14 27.938 -7.61 10.463 ATOM 1 ? +1550 A A 211 1092 ? TYR TYR C CB CB 1 ? 1 ? 28.48 27.758 -10.149 8.263 ATOM 1 ? +1551 A A 211 1092 ? TYR TYR C CG CG 1 ? 1 ? 31.21 27.203 -8.938 7.542 ATOM 1 ? +1552 A A 211 1092 ? TYR TYR C CD1 CD1 1 ? 1 ? 33.2 28.016 -8.147 6.737 ATOM 1 ? +1553 A A 211 1092 ? TYR TYR C CD2 CD2 1 ? 1 ? 32.54 25.863 -8.576 7.672 ATOM 1 ? +1554 A A 211 1092 ? TYR TYR C CE1 CE1 1 ? 1 ? 33.94 27.522 -7.007 6.109 ATOM 1 ? +1555 A A 211 1092 ? TYR TYR C CE2 CE2 1 ? 1 ? 34.44 25.358 -7.441 7.045 ATOM 1 ? +1556 A A 211 1092 ? TYR TYR C CZ CZ 1 ? 1 ? 42.33 26.189 -6.664 6.257 ATOM 1 ? +1557 A A 211 1092 ? TYR TYR O OH OH 1 ? 1 ? 47.02 25.7 -5.547 5.627 ATOM 1 ? +1558 A A 212 1093 ? GLU GLU N N N 1 ? 1 ? 29.4 26.46 -9.235 11.061 ATOM 1 ? +1559 A A 212 1093 ? GLU GLU C CA CA 1 ? 1 ? 29.85 25.598 -8.379 11.901 ATOM 1 ? +1560 A A 212 1093 ? GLU GLU C C C 1 ? 1 ? 35.59 26.365 -7.712 13.032 ATOM 1 ? +1561 A A 212 1093 ? GLU GLU O O O 1 ? 1 ? 38.31 26.216 -6.504 13.209 ATOM 1 ? +1562 A A 212 1093 ? GLU GLU C CB CB 1 ? 1 ? 30.17 24.392 -9.142 12.465 ATOM 1 ? +1563 A A 212 1093 ? GLU GLU C CG CG 1 ? 1 ? 30.19 23.359 -9.534 11.424 ATOM 1 ? +1564 A A 212 1093 ? GLU GLU C CD CD 1 ? 1 ? 39.47 22.112 -10.105 12.061 ATOM 1 ? +1565 A A 212 1093 ? GLU GLU O OE1 OE1 1 ? 1 ? 21.04 22.098 -11.322 12.36 ATOM 1 ? +1566 A A 212 1093 ? GLU GLU O OE2 OE2 1 -1 1 ? 34.91 21.18 -9.315 12.346 ATOM 1 ? +1567 A A 213 1094 ? LEU LEU N N N 1 ? 1 ? 31.85 27.198 -8.477 13.783 ATOM 1 ? +1568 A A 213 1094 ? LEU LEU C CA CA 1 ? 1 ? 32.61 27.999 -7.937 14.896 ATOM 1 ? +1569 A A 213 1094 ? LEU LEU C C C 1 ? 1 ? 36.89 28.964 -6.842 14.423 ATOM 1 ? +1570 A A 213 1094 ? LEU LEU O O O 1 ? 1 ? 37.6 29.115 -5.814 15.091 ATOM 1 ? +1571 A A 213 1094 ? LEU LEU C CB CB 1 ? 1 ? 32.18 28.777 -9.043 15.656 ATOM 1 ? +1572 A A 213 1094 ? LEU LEU C CG CG 1 ? 1 ? 36.89 27.985 -10.248 16.228 ATOM 1 ? +1573 A A 213 1094 ? LEU LEU C CD1 CD1 1 ? 1 ? 35.27 28.927 -11.353 16.697 ATOM 1 ? +1574 A A 213 1094 ? LEU LEU C CD2 CD2 1 ? 1 ? 41.94 27.07 -9.835 17.379 ATOM 1 ? +1575 A A 214 1095 ? LEU LEU N N N 1 ? 1 ? 33.42 29.599 -7.061 13.26 ATOM 1 ? +1576 A A 214 1095 ? LEU LEU C CA CA 1 ? 1 ? 34.39 30.542 -6.117 12.667 ATOM 1 ? +1577 A A 214 1095 ? LEU LEU C C C 1 ? 1 ? 38.23 29.896 -4.83 12.105 ATOM 1 ? +1578 A A 214 1095 ? LEU LEU O O O 1 ? 1 ? 38.76 30.578 -3.806 12.004 ATOM 1 ? +1579 A A 214 1095 ? LEU LEU C CB CB 1 ? 1 ? 33.49 31.495 -6.82 11.677 ATOM 1 ? +1580 A A 214 1095 ? LEU LEU C CG CG 1 ? 1 ? 37.8 32.802 -7.448 12.261 ATOM 1 ? +1581 A A 214 1095 ? LEU LEU C CD1 CD1 1 ? 1 ? 39.45 33.78 -6.397 12.771 ATOM 1 ? +1582 A A 214 1095 ? LEU LEU C CD2 CD2 1 ? 1 ? 37.39 32.531 -8.525 13.313 ATOM 1 ? +1583 A A 215 1096 ? THR THR N N N 1 ? 1 ? 33.31 28.573 -4.862 11.818 ATOM 1 ? +1584 A A 215 1096 ? THR THR C CA CA 1 ? 1 ? 35.04 27.81 -3.672 11.398 ATOM 1 ? +1585 A A 215 1096 ? THR THR C C C 1 ? 1 ? 42.36 27.231 -2.964 12.647 ATOM 1 ? +1586 A A 215 1096 ? THR THR O O O 1 ? 1 ? 43.78 26.585 -1.92 12.509 ATOM 1 ? +1587 A A 215 1096 ? THR THR C CB CB 1 ? 1 ? 41.97 26.644 -4.035 10.462 ATOM 1 ? +1588 A A 215 1096 ? THR THR O OG1 OG1 1 ? 1 ? 41.45 25.74 -4.903 11.146 ATOM 1 ? +1589 A A 215 1096 ? THR THR C CG2 CG2 1 ? 1 ? 38.34 27.095 -4.645 9.131 ATOM 1 ? +1590 A A 216 1097 ? HIS HIS N N N 1 ? 1 ? 38.32 27.446 -3.558 13.862 ATOM 1 ? +1591 A A 216 1097 ? HIS HIS C CA CA 1 ? 1 ? 39.42 26.94 -3.123 15.174 ATOM 1 ? +1592 A A 216 1097 ? HIS HIS C C C 1 ? 1 ? 45.68 25.409 -3.184 15.151 ATOM 1 ? +1593 A A 216 1097 ? HIS HIS O O O 1 ? 1 ? 47.24 24.724 -2.351 15.75 ATOM 1 ? +1594 A A 216 1097 ? HIS HIS C CB CB 1 ? 1 ? 41.99 27.465 -1.726 15.573 ATOM 1 ? +1595 A A 216 1097 ? HIS HIS C CG CG 1 ? 1 ? 45.1 28.955 -1.634 15.657 ATOM 1 ? +1596 A A 216 1097 ? HIS HIS N ND1 ND1 1 ? 1 ? 46.96 29.607 -1.543 16.877 ATOM 1 ? +1597 A A 216 1097 ? HIS HIS C CD2 CD2 1 ? 1 ? 46.12 29.877 -1.622 14.664 ATOM 1 ? +1598 A A 216 1097 ? HIS HIS C CE1 CE1 1 ? 1 ? 46.43 30.895 -1.47 16.588 ATOM 1 ? +1599 A A 216 1097 ? HIS HIS N NE2 NE2 1 ? 1 ? 46.31 31.104 -1.526 15.266 ATOM 1 ? +1600 A A 217 1098 ? CYS CYS N N N 1 ? 1 ? 42.43 24.883 -4.184 14.417 ATOM 1 ? +1601 A A 217 1098 ? CYS CYS C CA CA 1 ? 1 ? 42.89 23.462 -4.412 14.172 ATOM 1 ? +1602 A A 217 1098 ? CYS CYS C C C 1 ? 1 ? 50.27 22.706 -3.184 13.67 ATOM 1 ? +1603 A A 217 1098 ? CYS CYS O O O 1 ? 1 ? 51.72 21.551 -2.962 14.042 ATOM 1 ? +1604 A A 217 1098 ? CYS CYS C CB CB 1 ? 1 ? 43.23 22.789 -5.072 15.366 ATOM 1 ? +1605 A A 217 1098 ? CYS CYS S SG SG 1 ? 1 ? 44.91 23.264 -6.797 15.591 ATOM 1 ? +1606 A A 218 1099 ? ASP ASP N N N 1 ? 1 ? 48.56 23.378 -2.382 12.82 ATOM 1 ? +1607 A A 218 1099 ? ASP ASP C CA CA 1 ? 1 ? 51.25 22.809 -1.19 12.199 ATOM 1 ? +1608 A A 218 1099 ? ASP ASP C C C 1 ? 1 ? 56.98 21.761 -1.653 11.185 ATOM 1 ? +1609 A A 218 1099 ? ASP ASP O O O 1 ? 1 ? 56.06 22.047 -2.514 10.348 ATOM 1 ? +1610 A A 218 1099 ? ASP ASP C CB CB 1 ? 1 ? 53.86 23.919 -0.347 11.53 ATOM 1 ? +1611 A A 218 1099 ? ASP ASP C CG CG 1 ? 1 ? 65.6 23.502 0.921 10.79 ATOM 1 ? +1612 A A 218 1099 ? ASP ASP O OD1 OD1 1 ? 1 ? 66.06 22.283 1.208 10.725 ATOM 1 ? +1613 A A 218 1099 ? ASP ASP O OD2 OD2 1 -1 1 ? 72.87 24.394 1.613 10.253 ATOM 1 ? +1614 A A 219 1100 ? SER SER N N N 1 ? 1 ? 55.81 20.539 -1.107 11.302 ATOM 1 ? +1615 A A 219 1100 ? SER SER C CA CA 1 ? 1 ? 55.57 19.385 -1.422 10.458 ATOM 1 ? +1616 A A 219 1100 ? SER SER C C C 1 ? 1 ? 58.97 19.619 -1.116 8.991 ATOM 1 ? +1617 A A 219 1100 ? SER SER O O O 1 ? 1 ? 57.84 19.14 -1.866 8.149 ATOM 1 ? +1618 A A 219 1100 ? SER SER C CB CB 1 ? 1 ? 62.33 18.148 -0.681 10.951 ATOM 1 ? +1619 A A 219 1100 ? SER SER O OG OG 1 ? 1 ? 73.76 17.06 -1.576 11.107 ATOM 1 ? +1620 A A 220 1101 ? SER SER N N N 1 ? 1 ? 57.34 20.359 -0.028 8.681 ATOM 1 ? +1621 A A 220 1101 ? SER SER C CA CA 1 ? 1 ? 57.48 20.687 0.379 7.304 ATOM 1 ? +1622 A A 220 1101 ? SER SER C C C 1 ? 1 ? 58.83 21.586 -0.628 6.584 ATOM 1 ? +1623 A A 220 1101 ? SER SER O O O 1 ? 1 ? 59.27 21.614 -0.646 5.353 ATOM 1 ? +1624 A A 220 1101 ? SER SER C CB CB 1 ? 1 ? 63.41 21.332 1.764 7.282 ATOM 1 ? +1625 A A 220 1101 ? SER SER O OG OG 1 ? 1 ? 73.71 22.582 1.827 7.947 ATOM 1 ? +1626 A A 221 1102 ? GLN GLN N N N 1 ? 1 ? 52.36 22.308 -1.462 7.363 ATOM 1 ? +1627 A A 221 1102 ? GLN GLN C CA CA 1 ? 1 ? 48.99 23.251 -2.478 6.897 ATOM 1 ? +1628 A A 221 1102 ? GLN GLN C C C 1 ? 1 ? 48.88 22.74 -3.928 7.109 ATOM 1 ? +1629 A A 221 1102 ? GLN GLN O O O 1 ? 1 ? 46.73 23.481 -4.87 6.822 ATOM 1 ? +1630 A A 221 1102 ? GLN GLN C CB CB 1 ? 1 ? 50.23 24.613 -2.284 7.604 ATOM 1 ? +1631 A A 221 1102 ? GLN GLN C CG CG 1 ? 1 ? 65.5 25.375 -1.003 7.245 ATOM 1 ? +1632 A A 221 1102 ? GLN GLN C CD CD 1 ? 1 ? 86.57 26.679 -0.876 8.02 ATOM 1 ? +1633 A A 221 1102 ? GLN GLN O OE1 OE1 1 ? 1 ? 79.91 27.78 -1.043 7.477 ATOM 1 ? +1634 A A 221 1102 ? GLN GLN N NE2 NE2 1 ? 1 ? 81.75 26.593 -0.568 9.308 ATOM 1 ? +1635 A A 222 1103 ? SER SER N N N 1 ? 1 ? 44.55 21.495 -4.117 7.594 ATOM 1 ? +1636 A A 222 1103 ? SER SER C CA CA 1 ? 1 ? 43.12 20.941 -5.454 7.859 ATOM 1 ? +1637 A A 222 1103 ? SER SER C C C 1 ? 1 ? 47.96 20.902 -6.403 6.638 ATOM 1 ? +1638 A A 222 1103 ? SER SER O O O 1 ? 1 ? 48.72 20.707 -5.921 5.515 ATOM 1 ? +1639 A A 222 1103 ? SER SER C CB CB 1 ? 1 ? 47.34 19.565 -5.359 8.512 ATOM 1 ? +1640 A A 222 1103 ? SER SER O OG OG 1 ? 1 ? 58.78 18.557 -4.999 7.583 ATOM 1 ? +1641 A A 223 1104 ? PRO PRO N N N 1 ? 1 ? 42.9 21.057 -7.746 6.838 ATOM 1 ? +1642 A A 223 1104 ? PRO PRO C CA CA 1 ? 1 ? 41.74 21.017 -8.682 5.692 ATOM 1 ? +1643 A A 223 1104 ? PRO PRO C C C 1 ? 1 ? 47.74 19.796 -8.618 4.757 ATOM 1 ? +1644 A A 223 1104 ? PRO PRO O O O 1 ? 1 ? 47.18 20.033 -8.633 3.546 ATOM 1 ? +1645 A A 223 1104 ? PRO PRO C CB CB 1 ? 1 ? 41.93 21.211 -10.059 6.344 ATOM 1 ? +1646 A A 223 1104 ? PRO PRO C CG CG 1 ? 1 ? 45.92 21.92 -9.757 7.622 ATOM 1 ? +1647 A A 223 1104 ? PRO PRO C CD CD 1 ? 1 ? 43.22 21.317 -8.476 8.098 ATOM 1 ? +1648 A A 224 1105 ? PRO PRO N N N 1 ? 1 ? 46.26 18.512 -8.517 5.212 ATOM 1 ? +1649 A A 224 1105 ? PRO PRO C CA CA 1 ? 1 ? 46.42 17.41 -8.422 4.231 ATOM 1 ? +1650 A A 224 1105 ? PRO PRO C C C 1 ? 1 ? 50.89 17.522 -7.159 3.384 ATOM 1 ? +1651 A A 224 1105 ? PRO PRO O O O 1 ? 1 ? 51.61 17.351 -7.23 2.175 ATOM 1 ? +1652 A A 224 1105 ? PRO PRO C CB CB 1 ? 1 ? 49.08 16.147 -8.412 5.105 ATOM 1 ? +1653 A A 224 1105 ? PRO PRO C CG CG 1 ? 1 ? 52.75 16.585 -8.978 6.426 ATOM 1 ? +1654 A A 224 1105 ? PRO PRO C CD CD 1 ? 1 ? 48.16 17.979 -8.473 6.591 ATOM 1 ? +1655 A A 225 1106 ? THR THR N N N 1 ? 1 ? 47.04 17.878 -6.03 4.02 ATOM 1 ? +1656 A A 225 1106 ? THR THR C CA CA 1 ? 1 ? 47.49 18.064 -4.71 3.415 ATOM 1 ? +1657 A A 225 1106 ? THR THR C C C 1 ? 1 ? 49.48 19.223 -4.72 2.412 ATOM 1 ? +1658 A A 225 1106 ? THR THR O O O 1 ? 1 ? 48.67 19.051 -4.243 1.292 ATOM 1 ? +1659 A A 225 1106 ? THR THR C CB CB 1 ? 1 ? 54.19 18.236 -3.651 4.53 ATOM 1 ? +1660 A A 225 1106 ? THR THR O OG1 OG1 1 ? 1 ? 54.27 17.156 -3.756 5.459 ATOM 1 ? +1661 A A 225 1106 ? THR THR C CG2 CG2 1 ? 1 ? 53.58 18.302 -2.241 4.001 ATOM 1 ? +1662 A A 226 1107 ? LYS LYS N N N 1 ? 1 ? 45.8 20.385 -5.28 2.804 ATOM 1 ? +1663 A A 226 1107 ? LYS LYS C CA CA 1 ? 1 ? 45.2 21.568 -5.349 1.946 ATOM 1 ? +1664 A A 226 1107 ? LYS LYS C C C 1 ? 1 ? 50.08 21.432 -6.282 0.757 ATOM 1 ? +1665 A A 226 1107 ? LYS LYS O O O 1 ? 1 ? 50.14 21.834 -5.891 -0.335 ATOM 1 ? +1666 A A 226 1107 ? LYS LYS C CB CB 1 ? 1 ? 46.54 22.846 -5.61 2.75 ATOM 1 ? +1667 A A 226 1107 ? LYS LYS C CG CG 1 ? 1 ? 51.57 23.461 -4.341 3.328 ATOM 1 ? +1668 A A 226 1107 ? LYS LYS C CD CD 1 ? 1 ? 55.96 24.268 -3.55 2.294 ATOM 1 ? +1669 A A 226 1107 ? LYS LYS C CE CE 1 ? 1 ? 68.73 24.741 -2.229 2.843 ATOM 1 ? +1670 A A 226 1107 ? LYS LYS N NZ NZ 1 1 1 ? 78.3 25.402 -1.405 1.796 ATOM 1 ? +1671 A A 227 1108 ? PHE PHE N N N 1 ? 1 ? 47.25 20.837 -7.486 0.941 ATOM 1 ? +1672 A A 227 1108 ? PHE PHE C CA CA 1 ? 1 ? 47.22 20.616 -8.435 -0.162 ATOM 1 ? +1673 A A 227 1108 ? PHE PHE C C C 1 ? 1 ? 54.61 19.728 -7.888 -1.276 ATOM 1 ? +1674 A A 227 1108 ? PHE PHE O O O 1 ? 1 ? 54.11 19.979 -8.188 -2.442 ATOM 1 ? +1675 A A 227 1108 ? PHE PHE C CB CB 1 ? 1 ? 47.81 20.106 -9.799 0.325 ATOM 1 ? +1676 A A 227 1108 ? PHE PHE C CG CG 1 ? 1 ? 48.15 21.201 -10.761 0.721 ATOM 1 ? +1677 A A 227 1108 ? PHE PHE C CD1 CD1 1 ? 1 ? 50.17 22.133 -11.204 -0.212 ATOM 1 ? +1678 A A 227 1108 ? PHE PHE C CD2 CD2 1 ? 1 ? 49.41 21.286 -11.247 2.022 ATOM 1 ? +1679 A A 227 1108 ? PHE PHE C CE1 CE1 1 ? 1 ? 49.8 23.164 -12.07 0.162 ATOM 1 ? +1680 A A 227 1108 ? PHE PHE C CE2 CE2 1 ? 1 ? 51.19 22.301 -12.137 2.389 ATOM 1 ? +1681 A A 227 1108 ? PHE PHE C CZ CZ 1 ? 1 ? 48.51 23.233 -12.541 1.456 ATOM 1 ? +1682 A A 228 1109 ? LEU LEU N N N 1 ? 1 ? 54.71 18.712 -7.075 -0.928 ATOM 1 ? +1683 A A 228 1109 ? LEU LEU C CA CA 1 ? 1 ? 56.79 17.841 -6.439 -1.914 ATOM 1 ? +1684 A A 228 1109 ? LEU LEU C C C 1 ? 1 ? 65.96 18.642 -5.382 -2.692 ATOM 1 ? +1685 A A 228 1109 ? LEU LEU O O O 1 ? 1 ? 65.57 18.506 -5.285 -3.913 ATOM 1 ? +1686 A A 228 1109 ? LEU LEU C CB CB 1 ? 1 ? 58.19 16.614 -5.799 -1.241 ATOM 1 ? +1687 A A 228 1109 ? LEU LEU C CG CG 1 ? 1 ? 62.32 15.642 -6.727 -0.492 ATOM 1 ? +1688 A A 228 1109 ? LEU LEU C CD1 CD1 1 ? 1 ? 63.93 14.747 -5.935 0.434 ATOM 1 ? +1689 A A 228 1109 ? LEU LEU C CD2 CD2 1 ? 1 ? 63.79 14.815 -7.594 -1.438 ATOM 1 ? +1690 A A 229 1110 ? GLU GLU N N N 1 ? 1 ? 66.83 19.521 -4.638 -1.98 ATOM 1 ? +1691 A A 229 1110 ? GLU GLU C CA CA 1 ? 1 ? 69.51 20.409 -3.608 -2.534 ATOM 1 ? +1692 A A 229 1110 ? GLU GLU C C C 1 ? 1 ? 76.83 21.447 -4.192 -3.502 ATOM 1 ? +1693 A A 229 1110 ? GLU GLU O O O 1 ? 1 ? 77.38 21.904 -3.473 -4.392 ATOM 1 ? +1694 A A 229 1110 ? GLU GLU C CB CB 1 ? 1 ? 71.67 21.151 -2.872 -1.414 ATOM 1 ? +1695 A A 229 1110 ? GLU GLU C CG CG 1 ? 1 ? 82.85 20.288 -2.001 -0.525 ATOM 1 ? +1696 A A 229 1110 ? GLU GLU C CD CD 1 ? 1 ? 101.48 20.974 -1.485 0.727 ATOM 1 ? +1697 A A 229 1110 ? GLU GLU O OE1 OE1 1 ? 1 ? 92.12 20.253 -1.147 1.692 ATOM 1 ? +1698 A A 229 1110 ? GLU GLU O OE2 OE2 1 -1 1 ? 96.39 22.215 -1.32 0.713 ATOM 1 ? +1699 A A 230 1111 ? LEU LEU N N N 1 ? 1 ? 74.91 21.835 -5.484 -3.308 ATOM 1 ? +1700 A A 230 1111 ? LEU LEU C CA CA 1 ? 1 ? 75.21 22.807 -6.219 -4.135 ATOM 1 ? +1701 A A 230 1111 ? LEU LEU C C C 1 ? 1 ? 81.46 22.39 -6.33 -5.605 ATOM 1 ? +1702 A A 230 1111 ? LEU LEU O O O 1 ? 1 ? 81.14 23.257 -6.477 -6.466 ATOM 1 ? +1703 A A 230 1111 ? LEU LEU C CB CB 1 ? 1 ? 73.8 23.115 -7.614 -3.551 ATOM 1 ? +1704 A A 230 1111 ? LEU LEU C CG CG 1 ? 1 ? 78.56 24.412 -7.749 -2.736 ATOM 1 ? +1705 A A 230 1111 ? LEU LEU C CD1 CD1 1 ? 1 ? 76.93 24.303 -8.858 -1.723 ATOM 1 ? +1706 A A 230 1111 ? LEU LEU C CD2 CD2 1 ? 1 ? 81.98 25.615 -8.006 -3.635 ATOM 1 ? +1707 A A 231 1112 ? ILE ILE N N N 1 ? 1 ? 80.2 21.075 -6.252 -5.892 ATOM 1 ? +1708 A A 231 1112 ? ILE ILE C CA CA 1 ? 1 ? 81.31 20.526 -6.282 -7.258 ATOM 1 ? +1709 A A 231 1112 ? ILE ILE C C C 1 ? 1 ? 89.2 19.773 -4.985 -7.562 ATOM 1 ? +1710 A A 231 1112 ? ILE ILE O O O 1 ? 1 ? 89.92 19.795 -4.513 -8.703 ATOM 1 ? +1711 A A 231 1112 ? ILE ILE C CB CB 1 ? 1 ? 83.43 19.627 -7.511 -7.558 ATOM 1 ? +1712 A A 231 1112 ? ILE ILE C CG1 CG1 1 ? 1 ? 82.45 19.879 -8.685 -6.613 ATOM 1 ? +1713 A A 231 1112 ? ILE ILE C CG2 CG2 1 ? 1 ? 84.29 19.733 -7.931 -9.021 ATOM 1 ? +1714 A A 231 1112 ? ILE ILE C CD1 CD1 1 ? 1 ? 88.73 18.82 -8.858 -5.643 ATOM 1 ? +1715 A A 232 1113 ? GLY GLY N N N 1 ? 1 ? 87.66 19.104 -4.442 -6.543 ATOM 1 ? +1716 A A 232 1113 ? GLY GLY C CA CA 1 ? 1 ? 89.74 18.318 -3.216 -6.637 ATOM 1 ? +1717 A A 232 1113 ? GLY GLY C C C 1 ? 1 ? 94.14 16.846 -3.489 -6.817 ATOM 1 ? +1718 A A 232 1113 ? GLY GLY O O O 1 ? 1 ? 95.02 16.193 -2.892 -7.678 ATOM 1 ? +1719 A A 233 1114 ? ILE ILE N N N 1 ? 1 ? 89.6 16.327 -4.402 -5.99 ATOM 1 ? +1720 A A 233 1114 ? ILE ILE C CA CA 1 ? 1 ? 89.53 14.931 -4.828 -6.01 ATOM 1 ? +1721 A A 233 1114 ? ILE ILE C C C 1 ? 1 ? 94.04 14.183 -4.369 -4.748 ATOM 1 ? +1722 A A 233 1114 ? ILE ILE O O O 1 ? 1 ? 93.33 14.803 -4.201 -3.692 ATOM 1 ? +1723 A A 233 1114 ? ILE ILE C CB CB 1 ? 1 ? 90.91 14.822 -6.353 -6.282 ATOM 1 ? +1724 A A 233 1114 ? ILE ILE C CG1 CG1 1 ? 1 ? 90.01 15.518 -7.175 -5.177 ATOM 1 ? +1725 A A 233 1114 ? ILE ILE C CG2 CG2 1 ? 1 ? 91.33 15.379 -6.696 -7.68 ATOM 1 ? +1726 A A 233 1114 ? ILE ILE C CD1 CD1 1 ? 1 ? 96.23 15.144 -8.603 -5.12 ATOM 1 ? +1727 A A 234 1115 ? ALA ALA N N N 1 ? 1 ? 91.43 12.852 -4.158 -4.875 ATOM 1 ? +1728 A A 234 1115 ? ALA ALA C CA CA 1 ? 1 ? 92.13 11.95 -3.701 -3.805 ATOM 1 ? +1729 A A 234 1115 ? ALA ALA C C C 1 ? 1 ? 93.31 11.902 -4.657 -2.601 ATOM 1 ? +1730 A A 234 1115 ? ALA ALA O O O 1 ? 1 ? 91.18 12.337 -5.807 -2.713 ATOM 1 ? +1731 A A 234 1115 ? ALA ALA C CB CB 1 ? 1 ? 94.07 10.548 -3.478 -4.362 ATOM 1 ? +1732 A A 235 1116 ? GLN GLN N N N 1 ? 1 ? 89.34 11.347 -4.179 -1.46 ATOM 1 ? +1733 A A 235 1116 ? GLN GLN C CA CA 1 ? 1 ? 87.62 11.207 -4.898 -0.181 ATOM 1 ? +1734 A A 235 1116 ? GLN GLN C C C 1 ? 1 ? 87.11 10.64 -6.338 -0.235 ATOM 1 ? +1735 A A 235 1116 ? GLN GLN O O O 1 ? 1 ? 86 10.712 -7.057 0.765 ATOM 1 ? +1736 A A 235 1116 ? GLN GLN C CB CB 1 ? 1 ? 91.26 10.459 -4.037 0.857 ATOM 1 ? +1737 A A 235 1116 ? GLN GLN C CG CG 1 ? 1 ? 112.47 11.317 -2.921 1.461 ATOM 1 ? +1738 A A 235 1116 ? GLN GLN C CD CD 1 ? 1 ? 135 10.674 -2.259 2.661 ATOM 1 ? +1739 A A 235 1116 ? GLN GLN O OE1 OE1 1 ? 1 ? 130.16 10.475 -2.877 3.713 ATOM 1 ? +1740 A A 235 1116 ? GLN GLN N NE2 NE2 1 ? 1 ? 129.17 10.383 -0.97 2.548 ATOM 1 ? +1741 A A 236 1117 ? GLY GLY N N N 1 ? 1 ? 80.92 10.105 -6.737 -1.392 ATOM 1 ? +1742 A A 236 1117 ? GLY GLY C CA CA 1 ? 1 ? 78.59 9.539 -8.062 -1.616 ATOM 1 ? +1743 A A 236 1117 ? GLY GLY C C C 1 ? 1 ? 78.61 9.513 -8.493 -3.07 ATOM 1 ? +1744 A A 236 1117 ? GLY GLY O O O 1 ? 1 ? 80 8.444 -8.81 -3.601 ATOM 1 ? +1745 A A 237 1118 ? GLN GLN N N N 1 ? 1 ? 69.57 10.69 -8.49 -3.73 ATOM 1 ? +1746 A A 237 1118 ? GLN GLN C CA CA 1 ? 1 ? 66.21 10.86 -8.926 -5.124 ATOM 1 ? +1747 A A 237 1118 ? GLN GLN C C C 1 ? 1 ? 60.93 11.903 -10.066 -5.174 ATOM 1 ? +1748 A A 237 1118 ? GLN GLN O O O 1 ? 1 ? 58.89 12.242 -10.585 -6.25 ATOM 1 ? +1749 A A 237 1118 ? GLN GLN C CB CB 1 ? 1 ? 68.48 11.228 -7.75 -6.054 ATOM 1 ? +1750 A A 237 1118 ? GLN GLN C CG CG 0.3 ? 1 ? 81.59 10.708 -7.919 -7.481 ATOM 1 ? +1751 A A 237 1118 ? GLN GLN C CD CD 0.3 ? 1 ? 100.4 11.076 -6.767 -8.384 ATOM 1 ? +1752 A A 237 1118 ? GLN GLN O OE1 OE1 0.3 ? 1 ? 97.35 10.763 -5.601 -8.116 ATOM 1 ? +1753 A A 237 1118 ? GLN GLN N NE2 NE2 0.3 ? 1 ? 90.6 11.704 -7.078 -9.508 ATOM 1 ? +1754 A A 238 1119 ? MET MET N N N 1 ? 1 ? 51.38 12.4 -10.454 -3.98 ATOM 1 ? +1755 A A 238 1119 ? MET MET C CA CA 1 ? 1 ? 46.87 13.35 -11.546 -3.839 ATOM 1 ? +1756 A A 238 1119 ? MET MET C C C 1 ? 1 ? 44.51 12.595 -12.865 -3.787 ATOM 1 ? +1757 A A 238 1119 ? MET MET O O O 1 ? 1 ? 44.22 11.881 -13.144 -2.818 ATOM 1 ? +1758 A A 238 1119 ? MET MET C CB CB 1 ? 1 ? 48.36 14.247 -11.368 -2.604 ATOM 1 ? +1759 A A 238 1119 ? MET MET C CG CG 1 ? 1 ? 50.24 15.43 -12.315 -2.586 ATOM 1 ? +1760 A A 238 1119 ? MET MET S SD SD 1 ? 1 ? 53.84 16.76 -11.833 -3.717 ATOM 1 ? +1761 A A 238 1119 ? MET MET C CE CE 1 ? 1 ? 50.98 17.664 -10.741 -2.68 ATOM 1 ? +1762 A A 239 1120 ? THR THR N N N 1 ? 1 ? 36.24 12.738 -13.649 -4.857 ATOM 1 ? +1763 A A 239 1120 ? THR THR C CA CA 1 ? 1 ? 34.54 12.16 -14.975 -5 ATOM 1 ? +1764 A A 239 1120 ? THR THR C C C 1 ? 1 ? 36.63 13.222 -15.983 -4.516 ATOM 1 ? +1765 A A 239 1120 ? THR THR O O O 1 ? 1 ? 35.82 14.4 -15.625 -4.384 ATOM 1 ? +1766 A A 239 1120 ? THR THR C CB CB 1 ? 1 ? 35.58 11.697 -15.233 -6.455 ATOM 1 ? +1767 A A 239 1120 ? THR THR O OG1 OG1 1 ? 1 ? 34.93 12.818 -15.461 -7.298 ATOM 1 ? +1768 A A 239 1120 ? THR THR C CG2 CG2 1 ? 1 ? 31.27 10.825 -14.109 -7.024 ATOM 1 ? +1769 A A 240 1121 ? VAL VAL N N N 1 ? 1 ? 31.15 12.808 -17.233 -4.234 ATOM 1 ? +1770 A A 240 1121 ? VAL VAL C CA CA 1 ? 1 ? 28.48 13.711 -18.297 -3.796 ATOM 1 ? +1771 A A 240 1121 ? VAL VAL C C C 1 ? 1 ? 32.51 14.733 -18.608 -4.898 ATOM 1 ? +1772 A A 240 1121 ? VAL VAL O O O 1 ? 1 ? 30.62 15.849 -19.004 -4.606 ATOM 1 ? +1773 A A 240 1121 ? VAL VAL C CB CB 1 ? 1 ? 31.41 12.94 -19.553 -3.296 ATOM 1 ? +1774 A A 240 1121 ? VAL VAL C CG1 CG1 1 ? 1 ? 31.2 12.21 -20.281 -4.429 ATOM 1 ? +1775 A A 240 1121 ? VAL VAL C CG2 CG2 1 ? 1 ? 30.21 13.853 -20.504 -2.524 ATOM 1 ? +1776 A A 241 1122 ? LEU LEU N N N 1 ? 1 ? 31.65 14.339 -18.405 -6.159 ATOM 1 ? +1777 A A 241 1122 ? LEU LEU C CA CA 1 ? 1 ? 31.71 15.17 -18.658 -7.323 ATOM 1 ? +1778 A A 241 1122 ? LEU LEU C C C 1 ? 1 ? 33.55 16.213 -17.548 -7.521 ATOM 1 ? +1779 A A 241 1122 ? LEU LEU O O O 1 ? 1 ? 30.76 17.38 -17.864 -7.738 ATOM 1 ? +1780 A A 241 1122 ? LEU LEU C CB CB 1 ? 1 ? 32.87 14.278 -18.864 -8.561 ATOM 1 ? +1781 A A 241 1122 ? LEU LEU C CG CG 1 ? 1 ? 39.32 14.953 -19.214 -9.884 ATOM 1 ? +1782 A A 241 1122 ? LEU LEU C CD1 CD1 1 ? 1 ? 40.02 15.924 -20.401 -9.738 ATOM 1 ? +1783 A A 241 1122 ? LEU LEU C CD2 CD2 1 ? 1 ? 43.43 13.902 -19.504 -10.963 ATOM 1 ? +1784 A A 242 1123 A ARG ARG N N N 0.5 ? 1 A 31.04 15.788 -16.277 -7.443 ATOM 1 ? +1785 A A 242 1123 B ARG ARG N N N 0.5 ? 1 B 31.13 15.8 -16.264 -7.439 ATOM 1 ? +1786 A A 242 1123 A ARG ARG C CA CA 0.5 ? 1 A 31.11 16.666 -15.117 -7.574 ATOM 1 ? +1787 A A 242 1123 B ARG ARG C CA CA 0.5 ? 1 B 31.26 16.694 -15.106 -7.583 ATOM 1 ? +1788 A A 242 1123 A ARG ARG C C C 0.5 ? 1 A 34.29 17.747 -15.186 -6.483 ATOM 1 ? +1789 A A 242 1123 B ARG ARG C C C 0.5 ? 1 B 34.33 17.747 -15.086 -6.456 ATOM 1 ? +1790 A A 242 1123 A ARG ARG O O O 0.5 ? 1 A 33.78 18.933 -15.108 -6.81 ATOM 1 ? +1791 A A 242 1123 B ARG ARG O O O 0.5 ? 1 B 33.81 18.914 -14.786 -6.723 ATOM 1 ? +1792 A A 242 1123 A ARG ARG C CB CB 0.5 ? 1 A 33.1 15.847 -13.818 -7.465 ATOM 1 ? +1793 A A 242 1123 B ARG ARG C CB CB 0.5 ? 1 B 33.67 15.892 -13.787 -7.635 ATOM 1 ? +1794 A A 242 1123 A ARG ARG C CG CG 0.5 ? 1 A 45.46 16.505 -12.599 -8.096 ATOM 1 ? +1795 A A 242 1123 B ARG ARG C CG CG 0.5 ? 1 B 48.12 16.687 -12.573 -8.134 ATOM 1 ? +1796 A A 242 1123 A ARG ARG C CD CD 0.5 ? 1 A 57.52 15.545 -11.427 -8.114 ATOM 1 ? +1797 A A 242 1123 B ARG ARG C CD CD 0.5 ? 1 B 63.61 16.639 -12.416 -9.647 ATOM 1 ? +1798 A A 242 1123 A ARG ARG N NE NE 0.5 ? 1 A 65.45 15.699 -10.609 -9.317 ATOM 1 ? +1799 A A 242 1123 B ARG ARG N NE NE 0.5 ? 1 B 74.44 17.951 -12.066 -10.196 ATOM 1 ? +1800 A A 242 1123 A ARG ARG C CZ CZ 0.5 ? 1 A 82.38 14.829 -9.686 -9.715 ATOM 1 ? +1801 A A 242 1123 B ARG ARG C CZ CZ 0.5 ? 1 B 91.22 18.279 -10.869 -10.675 ATOM 1 ? +1802 A A 242 1123 A ARG ARG N NH1 NH1 0.5 ? 1 A 70.75 13.726 -9.456 -9.013 ATOM 1 ? +1803 A A 242 1123 B ARG ARG N NH1 NH1 0.5 ? 1 B 78.48 19.499 -10.65 -11.148 ATOM 1 ? +1804 A A 242 1123 A ARG ARG N NH2 NH2 0.5 1 1 A 72.53 15.052 -8.99 -10.822 ATOM 1 ? +1805 A A 242 1123 B ARG ARG N NH2 NH2 0.5 1 1 B 80.32 17.386 -9.887 -10.698 ATOM 1 ? +1806 A A 243 1124 ? LEU LEU N N N 1 ? 1 ? 29.56 17.338 -15.434 -5.212 ATOM 1 ? +1807 A A 243 1124 ? LEU LEU C CA CA 1 ? 1 ? 27.67 18.244 -15.534 -4.057 ATOM 1 ? +1808 A A 243 1124 ? LEU LEU C C C 1 ? 1 ? 32.01 19.213 -16.708 -4.214 ATOM 1 ? +1809 A A 243 1124 ? LEU LEU O O O 1 ? 1 ? 31.33 20.405 -16.525 -3.973 ATOM 1 ? +1810 A A 243 1124 ? LEU LEU C CB CB 1 ? 1 ? 27.22 17.486 -15.605 -2.71 ATOM 1 ? +1811 A A 243 1124 ? LEU LEU C CG CG 1 ? 1 ? 30.04 18.325 -15.545 -1.399 ATOM 1 ? +1812 A A 243 1124 ? LEU LEU C CD1 CD1 1 ? 1 ? 29.86 19.265 -14.34 -1.365 ATOM 1 ? +1813 A A 243 1124 ? LEU LEU C CD2 CD2 1 ? 1 ? 30.41 17.428 -15.522 -0.164 ATOM 1 ? +1814 A A 244 1125 ? THR THR N N N 1 ? 1 ? 28.87 18.712 -17.89 -4.658 ATOM 1 ? +1815 A A 244 1125 ? THR THR C CA CA 1 ? 1 ? 28.42 19.515 -19.102 -4.907 ATOM 1 ? +1816 A A 244 1125 ? THR THR C C C 1 ? 1 ? 32.87 20.595 -18.842 -5.965 ATOM 1 ? +1817 A A 244 1125 ? THR THR O O O 1 ? 1 ? 31.89 21.756 -19.184 -5.743 ATOM 1 ? +1818 A A 244 1125 ? THR THR C CB CB 1 ? 1 ? 31.11 18.596 -20.293 -5.255 ATOM 1 ? +1819 A A 244 1125 ? THR THR O OG1 OG1 1 ? 1 ? 34.7 17.939 -20.688 -4.06 ATOM 1 ? +1820 A A 244 1125 ? THR THR C CG2 CG2 1 ? 1 ? 27.01 19.332 -21.494 -5.83 ATOM 1 ? +1821 A A 245 1126 ? GLU GLU N N N 1 ? 1 ? 30.52 20.202 -18.234 -7.103 ATOM 1 ? +1822 A A 245 1126 ? GLU GLU C CA CA 1 ? 1 ? 30.05 21.106 -17.902 -8.216 ATOM 1 ? +1823 A A 245 1126 ? GLU GLU C C C 1 ? 1 ? 33.65 22.2 -16.903 -7.821 ATOM 1 ? +1824 A A 245 1126 ? GLU GLU O O O 1 ? 1 ? 33.44 23.332 -17.089 -8.24 ATOM 1 ? +1825 A A 245 1126 ? GLU GLU C CB CB 1 ? 1 ? 31.85 20.331 -17.388 -9.425 ATOM 1 ? +1826 A A 245 1126 ? GLU GLU C CG CG 1 ? 1 ? 41.68 19.452 -18.434 -10.096 ATOM 1 ? +1827 A A 245 1126 ? GLU GLU C CD CD 1 ? 1 ? 56.01 18.541 -17.903 -11.189 ATOM 1 ? +1828 A A 245 1126 ? GLU GLU O OE1 OE1 1 ? 1 ? 36.53 17.938 -18.735 -11.902 ATOM 1 ? +1829 A A 245 1126 ? GLU GLU O OE2 OE2 1 -1 1 ? 49.03 18.43 -16.664 -11.34 ATOM 1 ? +1830 A A 246 1127 A LEU LEU N N N 0.5 ? 1 A 29.81 21.874 -15.865 -7.015 ATOM 1 ? +1831 A A 246 1127 B LEU LEU N N N 0.5 ? 1 B 30.56 21.852 -15.869 -7.02 ATOM 1 ? +1832 A A 246 1127 A LEU LEU C CA CA 0.5 ? 1 A 29.62 22.85 -14.863 -6.562 ATOM 1 ? +1833 A A 246 1127 B LEU LEU C CA CA 0.5 ? 1 B 30.69 22.754 -14.827 -6.517 ATOM 1 ? +1834 A A 246 1127 A LEU LEU C C C 0.5 ? 1 A 32.32 23.898 -15.495 -5.653 ATOM 1 ? +1835 A A 246 1127 B LEU LEU C C C 0.5 ? 1 B 32.86 23.85 -15.444 -5.626 ATOM 1 ? +1836 A A 246 1127 A LEU LEU O O O 0.5 ? 1 A 31.25 25.089 -15.216 -5.811 ATOM 1 ? +1837 A A 246 1127 B LEU LEU O O O 0.5 ? 1 B 31.92 25.028 -15.12 -5.794 ATOM 1 ? +1838 A A 246 1127 A LEU LEU C CB CB 0.5 ? 1 A 30.17 22.172 -13.712 -5.809 ATOM 1 ? +1839 A A 246 1127 B LEU LEU C CB CB 0.5 ? 1 B 31.54 21.928 -13.768 -5.751 ATOM 1 ? +1840 A A 246 1127 A LEU LEU C CG CG 0.5 ? 1 A 35.36 21.199 -12.844 -6.571 ATOM 1 ? +1841 A A 246 1127 B LEU LEU C CG CG 0.5 ? 1 B 37.26 22.677 -12.722 -4.922 ATOM 1 ? +1842 A A 246 1127 A LEU LEU C CD1 CD1 0.5 ? 1 A 35.81 20.192 -12.244 -5.629 ATOM 1 ? +1843 A A 246 1127 B LEU LEU C CD1 CD1 0.5 ? 1 B 39.24 22.268 -11.319 -5.324 ATOM 1 ? +1844 A A 246 1127 A LEU LEU C CD2 CD2 0.5 ? 1 A 38.2 21.909 -11.786 -7.389 ATOM 1 ? +1845 A A 246 1127 B LEU LEU C CD2 CD2 0.5 ? 1 B 38.37 22.434 -12.925 -3.44 ATOM 1 ? +1846 A A 247 1128 ? LEU LEU N N N 1 ? 1 ? 28.88 23.451 -16.344 -4.7 ATOM 1 ? +1847 A A 247 1128 ? LEU LEU C CA CA 1 ? 1 ? 28.86 24.347 -17.045 -3.776 ATOM 1 ? +1848 A A 247 1128 ? LEU LEU C C C 1 ? 1 ? 34.6 25.247 -18.039 -4.533 ATOM 1 ? +1849 A A 247 1128 ? LEU LEU O O O 1 ? 1 ? 34.61 26.446 -18.059 -4.276 ATOM 1 ? +1850 A A 247 1128 ? LEU LEU C CB CB 1 ? 1 ? 28.3 23.574 -17.755 -2.653 ATOM 1 ? +1851 A A 247 1128 ? LEU LEU C CG CG 1 ? 1 ? 32.6 22.72 -16.916 -1.703 ATOM 1 ? +1852 A A 247 1128 ? LEU LEU C CD1 CD1 1 ? 1 ? 32.2 21.985 -17.81 -0.71 ATOM 1 ? +1853 A A 247 1128 ? LEU LEU C CD2 CD2 1 ? 1 ? 35.71 23.54 -15.867 -0.971 ATOM 1 ? +1854 A A 248 1129 ? GLU GLU N N N 1 ? 1 ? 31.89 24.676 -18.814 -5.497 ATOM 1 ? +1855 A A 248 1129 ? GLU GLU C CA CA 1 ? 1 ? 32.27 25.41 -19.763 -6.343 ATOM 1 ? +1856 A A 248 1129 ? GLU GLU C C C 1 ? 1 ? 36.37 26.437 -19.044 -7.25 ATOM 1 ? +1857 A A 248 1129 ? GLU GLU O O O 1 ? 1 ? 34.77 27.487 -19.61 -7.549 ATOM 1 ? +1858 A A 248 1129 ? GLU GLU C CB CB 1 ? 1 ? 33.98 24.445 -20.638 -7.173 ATOM 1 ? +1859 A A 248 1129 ? GLU GLU C CG CG 1 ? 1 ? 43.96 23.798 -21.752 -6.358 ATOM 1 ? +1860 A A 248 1129 ? GLU GLU C CD CD 1 ? 1 ? 72.41 22.903 -22.719 -7.112 ATOM 1 ? +1861 A A 248 1129 ? GLU GLU O OE1 OE1 1 ? 1 ? 85.71 23.073 -23.943 -6.915 ATOM 1 ? +1862 A A 248 1129 ? GLU GLU O OE2 OE2 1 -1 1 ? 58.59 22.021 -22.265 -7.879 ATOM 1 ? +1863 A A 249 1130 ? ARG ARG N N N 1 ? 1 ? 33.82 26.129 -17.787 -7.648 ATOM 1 ? +1864 A A 249 1130 ? ARG ARG C CA CA 1 ? 1 ? 34.57 26.957 -16.882 -8.456 ATOM 1 ? +1865 A A 249 1130 ? ARG ARG C C C 1 ? 1 ? 39.32 28.073 -16.243 -7.588 ATOM 1 ? +1866 A A 249 1130 ? ARG ARG O O O 1 ? 1 ? 40.52 28.856 -15.445 -8.094 ATOM 1 ? +1867 A A 249 1130 ? ARG ARG C CB CB 1 ? 1 ? 37.01 26.07 -15.761 -9.02 ATOM 1 ? +1868 A A 249 1130 ? ARG ARG C CG CG 1 ? 1 ? 54 26.382 -15.344 -10.446 ATOM 1 ? +1869 A A 249 1130 ? ARG ARG C CD CD 1 ? 1 ? 67.29 25.71 -14.027 -10.79 ATOM 1 ? +1870 A A 249 1130 ? ARG ARG N NE NE 1 ? 1 ? 81 24.249 -14.137 -10.808 ATOM 1 ? +1871 A A 249 1130 ? ARG ARG C CZ CZ 1 ? 1 ? 96.26 23.415 -13.134 -10.549 ATOM 1 ? +1872 A A 249 1130 ? ARG ARG N NH1 NH1 1 ? 1 ? 84.59 23.886 -11.93 -10.242 ATOM 1 ? +1873 A A 249 1130 ? ARG ARG N NH2 NH2 1 1 1 ? 81.56 22.104 -13.328 -10.589 ATOM 1 ? +1874 A A 250 1131 ? GLY GLY N N N 1 ? 1 ? 34.43 28.102 -16.561 -6.295 ATOM 1 ? +1875 A A 250 1131 ? GLY GLY C CA CA 1 ? 1 ? 34.12 29.109 -16.057 -5.368 ATOM 1 ? +1876 A A 250 1131 ? GLY GLY C C C 1 ? 1 ? 37.72 28.928 -14.647 -4.841 ATOM 1 ? +1877 A A 250 1131 ? GLY GLY O O O 1 ? 1 ? 37.79 29.866 -14.09 -4.261 ATOM 1 ? +1878 A A 251 1132 ? GLU GLU N N N 1 ? 1 ? 34.26 27.727 -14.061 -5.009 ATOM 1 ? +1879 A A 251 1132 ? GLU GLU C CA CA 1 ? 1 ? 33.92 27.454 -12.723 -4.479 ATOM 1 ? +1880 A A 251 1132 ? GLU GLU C C C 1 ? 1 ? 34.46 27.199 -12.8 -2.98 ATOM 1 ? +1881 A A 251 1132 ? GLU GLU O O O 1 ? 1 ? 33 26.519 -13.716 -2.508 ATOM 1 ? +1882 A A 251 1132 ? GLU GLU C CB CB 1 ? 1 ? 35.89 26.381 -11.975 -5.277 ATOM 1 ? +1883 A A 251 1132 ? GLU GLU C CG CG 1 ? 1 ? 49.06 26.988 -11.291 -6.502 ATOM 1 ? +1884 A A 251 1132 ? GLU GLU C CD CD 1 ? 1 ? 85.98 26.077 -10.547 -7.462 ATOM 1 ? +1885 A A 251 1132 ? GLU GLU O OE1 OE1 1 ? 1 ? 90.61 24.928 -10.222 -7.084 ATOM 1 ? +1886 A A 251 1132 ? GLU GLU O OE2 OE2 1 -1 1 ? 90.5 26.535 -10.252 -8.591 ATOM 1 ? +1887 A A 252 1133 ? ARG ARG N N N 1 ? 1 ? 29.74 27.876 -11.927 -2.222 ATOM 1 ? +1888 A A 252 1133 ? ARG ARG C CA CA 1 ? 1 ? 28.86 27.836 -11.948 -0.76 ATOM 1 ? +1889 A A 252 1133 ? ARG ARG C C C 1 ? 1 ? 32.78 27.624 -10.575 -0.166 ATOM 1 ? +1890 A A 252 1133 ? ARG ARG O O O 1 ? 1 ? 33.44 27.834 -9.575 -0.849 ATOM 1 ? +1891 A A 252 1133 ? ARG ARG C CB CB 1 ? 1 ? 25.58 29.149 -12.552 -0.177 ATOM 1 ? +1892 A A 252 1133 ? ARG ARG C CG CG 1 ? 1 ? 30.28 29.468 -14.01 -0.538 ATOM 1 ? +1893 A A 252 1133 ? ARG ARG C CD CD 1 ? 1 ? 29.14 28.445 -14.992 0.001 ATOM 1 ? +1894 A A 252 1133 ? ARG ARG N NE NE 1 ? 1 ? 32 28.776 -16.378 -0.338 ATOM 1 ? +1895 A A 252 1133 ? ARG ARG C CZ CZ 1 ? 1 ? 42.35 28.318 -17.033 -1.403 ATOM 1 ? +1896 A A 252 1133 ? ARG ARG N NH1 NH1 1 ? 1 ? 24.72 27.503 -16.432 -2.265 ATOM 1 ? +1897 A A 252 1133 ? ARG ARG N NH2 NH2 1 1 1 ? 29.6 28.657 -18.299 -1.605 ATOM 1 ? +1898 A A 253 1134 ? LEU LEU N N N 1 ? 1 ? 29.08 27.289 -10.532 1.14 ATOM 1 ? +1899 A A 253 1134 ? LEU LEU C CA CA 1 ? 1 ? 29.72 27.14 -9.29 1.897 ATOM 1 ? +1900 A A 253 1134 ? LEU LEU C C C 1 ? 1 ? 32.99 28.476 -8.522 1.85 ATOM 1 ? +1901 A A 253 1134 ? LEU LEU O O O 1 ? 1 ? 31.19 29.522 -9.162 1.743 ATOM 1 ? +1902 A A 253 1134 ? LEU LEU C CB CB 1 ? 1 ? 29.37 26.69 -9.58 3.348 ATOM 1 ? +1903 A A 253 1134 ? LEU LEU C CG CG 1 ? 1 ? 33.35 25.249 -10.14 3.507 ATOM 1 ? +1904 A A 253 1134 ? LEU LEU C CD1 CD1 1 ? 1 ? 32.35 25.065 -10.878 4.835 ATOM 1 ? +1905 A A 253 1134 ? LEU LEU C CD2 CD2 1 ? 1 ? 35.08 24.186 -9.045 3.341 ATOM 1 ? +1906 A A 254 1135 ? PRO PRO N N N 1 ? 1 ? 31.53 28.483 -7.17 1.827 ATOM 1 ? +1907 A A 254 1135 ? PRO PRO C CA CA 1 ? 1 ? 32.37 29.759 -6.456 1.709 ATOM 1 ? +1908 A A 254 1135 ? PRO PRO C C C 1 ? 1 ? 36.02 30.533 -6.442 3.018 ATOM 1 ? +1909 A A 254 1135 ? PRO PRO O O O 1 ? 1 ? 36.11 29.998 -6.87 4.046 ATOM 1 ? +1910 A A 254 1135 ? PRO PRO C CB CB 1 ? 1 ? 36.01 29.315 -5.046 1.313 ATOM 1 ? +1911 A A 254 1135 ? PRO PRO C CG CG 1 ? 1 ? 40.5 28.029 -4.871 2.039 ATOM 1 ? +1912 A A 254 1135 ? PRO PRO C CD CD 1 ? 1 ? 34.35 27.355 -6.219 1.93 ATOM 1 ? +1913 A A 255 1136 A ARG ARG N N N 0.5 ? 1 A 33.3 31.78 -5.947 2.989 ATOM 1 ? +1914 A A 255 1136 B ARG ARG N N N 0.5 ? 1 B 32.71 31.783 -5.949 2.99 ATOM 1 ? +1915 A A 255 1136 A ARG ARG C CA CA 0.5 ? 1 A 33.61 32.612 -5.84 4.183 ATOM 1 ? +1916 A A 255 1136 B ARG ARG C CA CA 0.5 ? 1 B 32.72 32.597 -5.848 4.198 ATOM 1 ? +1917 A A 255 1136 A ARG ARG C C C 0.5 ? 1 A 39.93 32.067 -4.68 5.036 ATOM 1 ? +1918 A A 255 1136 B ARG ARG C C C 0.5 ? 1 B 39.52 32.056 -4.682 5.036 ATOM 1 ? +1919 A A 255 1136 A ARG ARG O O O 0.5 ? 1 A 40.8 32.039 -3.542 4.55 ATOM 1 ? +1920 A A 255 1136 B ARG ARG O O O 0.5 ? 1 B 40.38 32.029 -3.547 4.544 ATOM 1 ? +1921 A A 255 1136 A ARG ARG C CB CB 0.5 ? 1 A 33.44 34.092 -5.613 3.801 ATOM 1 ? +1922 A A 255 1136 B ARG ARG C CB CB 0.5 ? 1 B 30.99 34.092 -5.646 3.868 ATOM 1 ? +1923 A A 255 1136 A ARG ARG C CG CG 0.5 ? 1 A 40.83 35.067 -5.644 4.978 ATOM 1 ? +1924 A A 255 1136 B ARG ARG C CG CG 0.5 ? 1 B 32.61 35.014 -5.743 5.089 ATOM 1 ? +1925 A A 255 1136 A ARG ARG C CD CD 0.5 ? 1 A 50.33 36.495 -5.441 4.508 ATOM 1 ? +1926 A A 255 1136 B ARG ARG C CD CD 0.5 ? 1 B 35.31 36.474 -5.578 4.712 ATOM 1 ? +1927 A A 255 1136 A ARG ARG N NE NE 0.5 ? 1 A 63.62 37.197 -4.446 5.316 ATOM 1 ? +1928 A A 255 1136 B ARG ARG N NE NE 0.5 ? 1 B 45.69 36.841 -4.167 4.589 ATOM 1 ? +1929 A A 255 1136 A ARG ARG C CZ CZ 0.5 ? 1 A 78.54 37.254 -3.148 5.034 ATOM 1 ? +1930 A A 255 1136 B ARG ARG C CZ CZ 0.5 ? 1 B 59.49 37.702 -3.686 3.7 ATOM 1 ? +1931 A A 255 1136 A ARG ARG N NH1 NH1 0.5 ? 1 A 64.68 37.908 -2.317 5.834 ATOM 1 ? +1932 A A 255 1136 B ARG ARG N NH1 NH1 0.5 ? 1 B 47.39 37.977 -2.389 3.668 ATOM 1 ? +1933 A A 255 1136 A ARG ARG N NH2 NH2 0.5 1 1 A 67.34 36.659 -2.671 3.947 ATOM 1 ? +1934 A A 255 1136 B ARG ARG N NH2 NH2 0.5 1 1 B 47.59 38.292 -4.496 2.831 ATOM 1 ? +1935 A A 256 1137 ? PRO PRO N N N 1 ? 1 ? 37.1 31.604 -4.944 6.288 ATOM 1 ? +1936 A A 256 1137 ? PRO PRO C CA CA 1 ? 1 ? 39.06 31.081 -3.851 7.132 ATOM 1 ? +1937 A A 256 1137 ? PRO PRO C C C 1 ? 1 ? 47.02 32.122 -2.773 7.406 ATOM 1 ? +1938 A A 256 1137 ? PRO PRO O O O 1 ? 1 ? 46.57 33.315 -3.067 7.404 ATOM 1 ? +1939 A A 256 1137 ? PRO PRO C CB CB 1 ? 1 ? 39.75 30.682 -4.564 8.428 ATOM 1 ? +1940 A A 256 1137 ? PRO PRO C CG CG 1 ? 1 ? 41.7 30.496 -5.981 8.05 ATOM 1 ? +1941 A A 256 1137 ? PRO PRO C CD CD 1 ? 1 ? 37.22 31.544 -6.232 7.013 ATOM 1 ? +1942 A A 257 1138 ? ASP ASP N N N 1 ? 1 ? 47.29 31.677 -1.522 7.578 ATOM 1 ? +1943 A A 257 1138 ? ASP ASP C CA CA 1 ? 1 ? 49.79 32.577 -0.402 7.824 ATOM 1 ? +1944 A A 257 1138 ? ASP ASP C C C 1 ? 1 ? 53.45 33.458 -0.668 9.051 ATOM 1 ? +1945 A A 257 1138 ? ASP ASP O O O 1 ? 1 ? 52.3 32.976 -1.175 10.07 ATOM 1 ? +1946 A A 257 1138 ? ASP ASP C CB CB 1 ? 1 ? 54.29 31.8 0.919 7.935 ATOM 1 ? +1947 A A 257 1138 ? ASP ASP C CG CG 1 ? 1 ? 73.33 32.693 2.136 7.847 ATOM 1 ? +1948 A A 257 1138 ? ASP ASP O OD1 OD1 1 ? 1 ? 76.64 32.942 2.766 8.9 ATOM 1 ? +1949 A A 257 1138 ? ASP ASP O OD2 OD2 1 -1 1 ? 82.75 33.176 2.437 6.733 ATOM 1 ? +1950 A A 258 1139 ? LYS LYS N N N 1 ? 1 ? 50.5 34.773 -0.422 8.896 ATOM 1 ? +1951 A A 258 1139 ? LYS LYS C CA CA 1 ? 1 ? 49.74 35.816 -0.642 9.905 ATOM 1 ? +1952 A A 258 1139 ? LYS LYS C C C 1 ? 1 ? 50.02 36.071 -2.133 10.24 ATOM 1 ? +1953 A A 258 1139 ? LYS LYS O O O 1 ? 1 ? 50.04 36.852 -2.42 11.146 ATOM 1 ? +1954 A A 258 1139 ? LYS LYS C CB CB 1 ? 1 ? 53.62 35.627 0.25 11.155 ATOM 1 ? +1955 A A 258 1139 ? LYS LYS C CG CG 1 ? 1 ? 70.02 35.804 1.738 10.86 ATOM 1 ? +1956 A A 258 1139 ? LYS LYS C CD CD 1 ? 1 ? 81.75 35.075 2.626 11.859 ATOM 1 ? +1957 A A 258 1139 ? LYS LYS C CE CE 1 ? 1 ? 93.15 36.022 3.315 12.809 ATOM 1 ? +1958 A A 258 1139 ? LYS LYS N NZ NZ 1 1 1 ? 105.57 35.332 4.36 13.609 ATOM 1 ? +1959 A A 259 1140 ? CYS CYS N N N 1 ? 1 ? 43.57 35.461 -3.075 9.479 ATOM 1 ? +1960 A A 259 1140 ? CYS CYS C CA CA 1 ? 1 ? 40.76 35.675 -4.513 9.683 ATOM 1 ? +1961 A A 259 1140 ? CYS CYS C C C 1 ? 1 ? 44.17 37.029 -4.92 9.104 ATOM 1 ? +1962 A A 259 1140 ? CYS CYS O O O 1 ? 1 ? 43.39 37.291 -4.632 7.926 ATOM 1 ? +1963 A A 259 1140 ? CYS CYS C CB CB 1 ? 1 ? 38.75 34.541 -5.352 9.096 ATOM 1 ? +1964 A A 259 1140 ? CYS CYS S SG SG 1 ? 1 ? 40.13 34.766 -7.149 9.253 ATOM 1 ? +1965 A A 260 1141 ? PRO PRO N N N 1 ? 1 ? 39.6 37.894 -5.591 9.909 ATOM 1 ? +1966 A A 260 1141 ? PRO PRO C CA CA 1 ? 1 ? 39.52 39.199 -6.027 9.38 ATOM 1 ? +1967 A A 260 1141 ? PRO PRO C C C 1 ? 1 ? 41.38 39.01 -7.099 8.326 ATOM 1 ? +1968 A A 260 1141 ? PRO PRO O O O 1 ? 1 ? 39.19 38.179 -8 8.498 ATOM 1 ? +1969 A A 260 1141 ? PRO PRO C CB CB 1 ? 1 ? 41 39.94 -6.578 10.613 ATOM 1 ? +1970 A A 260 1141 ? PRO PRO C CG CG 1 ? 1 ? 45.42 39.125 -6.192 11.782 ATOM 1 ? +1971 A A 260 1141 ? PRO PRO C CD CD 1 ? 1 ? 40.16 37.714 -6.028 11.306 ATOM 1 ? +1972 A A 261 1142 ? CYS CYS N N N 1 ? 1 ? 38.84 39.75 -6.969 7.223 ATOM 1 ? +1973 A A 261 1142 ? CYS CYS C CA CA 1 ? 1 ? 38.17 39.704 -7.884 6.086 ATOM 1 ? +1974 A A 261 1142 ? CYS CYS C C C 1 ? 1 ? 37.87 39.707 -9.359 6.51 ATOM 1 ? +1975 A A 261 1142 ? CYS CYS O O O 1 ? 1 ? 35.92 38.878 -10.114 6.015 ATOM 1 ? +1976 A A 261 1142 ? CYS CYS C CB CB 1 ? 1 ? 40.32 40.816 -7.568 5.087 ATOM 1 ? +1977 A A 261 1142 ? CYS CYS S SG SG 1 ? 1 ? 46.44 40.592 -5.995 4.205 ATOM 1 ? +1978 A A 262 1143 ? GLU GLU N N N 1 ? 1 ? 33.18 40.561 -9.738 7.485 ATOM 1 ? +1979 A A 262 1143 ? GLU GLU C CA CA 1 ? 1 ? 30.89 40.646 -11.113 7.994 ATOM 1 ? +1980 A A 262 1143 ? GLU GLU C C C 1 ? 1 ? 32.76 39.368 -11.594 8.711 ATOM 1 ? +1981 A A 262 1143 ? GLU GLU O O O 1 ? 1 ? 31.04 39.082 -12.79 8.661 ATOM 1 ? +1982 A A 262 1143 ? GLU GLU C CB CB 1 ? 1 ? 32.39 41.928 -11.343 8.837 ATOM 1 ? +1983 A A 262 1143 ? GLU GLU C CG CG 1 ? 1 ? 40.69 41.797 -11.007 10.305 ATOM 1 ? +1984 A A 262 1143 ? GLU GLU C CD CD 1 ? 1 ? 58.82 43.008 -11.323 11.156 ATOM 1 ? +1985 A A 262 1143 ? GLU GLU O OE1 OE1 1 ? 1 ? 44.13 43.288 -12.522 11.393 ATOM 1 ? +1986 A A 262 1143 ? GLU GLU O OE2 OE2 1 -1 1 ? 49.78 43.643 -10.36 11.639 ATOM 1 ? +1987 A A 263 1144 ? VAL VAL N N N 1 ? 1 ? 29.65 38.625 -10.676 9.394 ATOM 1 ? +1988 A A 263 1144 ? VAL VAL C CA CA 1 ? 1 ? 28.42 37.358 -11.014 10.067 ATOM 1 ? +1989 A A 263 1144 ? VAL VAL C C C 1 ? 1 ? 30.33 36.32 -11.21 8.95 ATOM 1 ? +1990 A A 263 1144 ? VAL VAL O O O 1 ? 1 ? 29.21 35.543 -12.165 8.996 ATOM 1 ? +1991 A A 263 1144 ? VAL VAL C CB CB 1 ? 1 ? 33.25 36.923 -9.974 11.154 ATOM 1 ? +1992 A A 263 1144 ? VAL VAL C CG1 CG1 1 ? 1 ? 32.05 35.531 -10.282 11.722 ATOM 1 ? +1993 A A 263 1144 ? VAL VAL C CG2 CG2 1 ? 1 ? 33.57 37.944 -9.899 12.285 ATOM 1 ? +1994 A A 264 1145 ? TYR TYR N N N 1 ? 1 ? 26.86 36.373 -10.358 7.909 ATOM 1 ? +1995 A A 264 1145 ? TYR TYR C CA CA 1 ? 1 ? 25.85 35.512 -10.49 6.736 ATOM 1 ? +1996 A A 264 1145 ? TYR TYR C C C 1 ? 1 ? 28.77 35.794 -11.79 5.962 ATOM 1 ? +1997 A A 264 1145 ? TYR TYR O O O 1 ? 1 ? 26.04 34.85 -12.47 5.555 ATOM 1 ? +1998 A A 264 1145 ? TYR TYR C CB CB 1 ? 1 ? 28.1 35.629 -9.278 5.811 ATOM 1 ? +1999 A A 264 1145 ? TYR TYR C CG CG 1 ? 1 ? 30 34.714 -9.35 4.601 ATOM 1 ? +2000 A A 264 1145 ? TYR TYR C CD1 CD1 1 ? 1 ? 31.02 33.349 -9.607 4.745 ATOM 1 ? +2001 A A 264 1145 ? TYR TYR C CD2 CD2 1 ? 1 ? 31.06 35.206 -9.142 3.314 ATOM 1 ? +2002 A A 264 1145 ? TYR TYR C CE1 CE1 1 ? 1 ? 31.46 32.504 -9.673 3.637 ATOM 1 ? +2003 A A 264 1145 ? TYR TYR C CE2 CE2 1 ? 1 ? 31.34 34.366 -9.198 2.198 ATOM 1 ? +2004 A A 264 1145 ? TYR TYR C CZ CZ 1 ? 1 ? 36.67 33.013 -9.448 2.369 ATOM 1 ? +2005 A A 264 1145 ? TYR TYR O OH OH 1 ? 1 ? 34.26 32.172 -9.49 1.289 ATOM 1 ? +2006 A A 265 1146 ? HIS HIS N N N 1 ? 1 ? 26.06 37.085 -12.145 5.777 ATOM 1 ? +2007 A A 265 1146 ? HIS HIS C CA CA 1 ? 1 ? 25.38 37.474 -13.372 5.077 ATOM 1 ? +2008 A A 265 1146 ? HIS HIS C C C 1 ? 1 ? 30.6 36.971 -14.618 5.802 ATOM 1 ? +2009 A A 265 1146 ? HIS HIS O O O 1 ? 1 ? 30.17 36.679 -15.635 5.159 ATOM 1 ? +2010 A A 265 1146 ? HIS HIS C CB CB 1 ? 1 ? 26.65 38.993 -13.419 4.844 ATOM 1 ? +2011 A A 265 1146 ? HIS HIS C CG CG 1 ? 1 ? 30.03 39.505 -12.306 3.978 ATOM 1 ? +2012 A A 265 1146 ? HIS HIS N ND1 ND1 1 ? 1 ? 32.56 40.76 -11.785 4.159 ATOM 1 ? +2013 A A 265 1146 ? HIS HIS C CD2 CD2 1 ? 1 ? 30.88 38.88 -11.608 2.999 ATOM 1 ? +2014 A A 265 1146 ? HIS HIS C CE1 CE1 1 ? 1 ? 32.63 40.878 -10.815 3.267 ATOM 1 ? +2015 A A 265 1146 ? HIS HIS N NE2 NE2 1 ? 1 ? 32.06 39.767 -10.667 2.557 ATOM 1 ? +2016 A A 266 1147 ? LEU LEU N N N 1 ? 1 ? 29.27 36.814 -14.515 7.134 ATOM 1 ? +2017 A A 266 1147 ? LEU LEU C CA CA 1 ? 1 ? 29.09 36.265 -15.578 7.973 ATOM 1 ? +2018 A A 266 1147 ? LEU LEU C C C 1 ? 1 ? 29.68 34.767 -15.764 7.681 ATOM 1 ? +2019 A A 266 1147 ? LEU LEU O O O 1 ? 1 ? 29.11 34.31 -16.898 7.578 ATOM 1 ? +2020 A A 266 1147 ? LEU LEU C CB CB 1 ? 1 ? 30.38 36.489 -15.265 9.447 ATOM 1 ? +2021 A A 266 1147 ? LEU LEU C CG CG 1 ? 1 ? 36.56 36.347 -16.443 10.383 ATOM 1 ? +2022 A A 266 1147 ? LEU LEU C CD1 CD1 1 ? 1 ? 37.43 37.552 -17.409 10.237 ATOM 1 ? +2023 A A 266 1147 ? LEU LEU C CD2 CD2 1 ? 1 ? 40.21 36.183 -15.967 11.821 ATOM 1 ? +2024 A A 267 1148 ? MET MET N N N 1 ? 1 ? 24.54 34.022 -14.654 7.522 ATOM 1 ? +2025 A A 267 1148 ? MET MET C CA CA 1 ? 1 ? 22.94 32.593 -14.667 7.162 ATOM 1 ? +2026 A A 267 1148 ? MET MET C C C 1 ? 1 ? 27.18 32.456 -15.377 5.819 ATOM 1 ? +2027 A A 267 1148 ? MET MET O O O 1 ? 1 ? 28 31.638 -16.285 5.681 ATOM 1 ? +2028 A A 267 1148 ? MET MET C CB CB 1 ? 1 ? 25.21 32.038 -13.235 7.027 ATOM 1 ? +2029 A A 267 1148 ? MET MET C CG CG 1 ? 1 ? 28.03 32.089 -12.42 8.279 ATOM 1 ? +2030 A A 267 1148 ? MET MET S SD SD 1 ? 1 ? 32.65 31.589 -10.731 7.922 ATOM 1 ? +2031 A A 267 1148 ? MET MET C CE CE 1 ? 1 ? 29.92 32.138 -9.916 9.381 ATOM 1 ? +2032 A A 268 1149 ? LYS LYS N N N 1 ? 1 ? 23.42 33.306 -15.004 4.849 ATOM 1 ? +2033 A A 268 1149 ? LYS LYS C CA CA 1 ? 1 ? 22.68 33.322 -15.614 3.519 ATOM 1 ? +2034 A A 268 1149 ? LYS LYS C C C 1 ? 1 ? 27.85 33.575 -17.138 3.576 ATOM 1 ? +2035 A A 268 1149 ? LYS LYS O O O 1 ? 1 ? 27.74 32.929 -17.875 2.842 ATOM 1 ? +2036 A A 268 1149 ? LYS LYS C CB CB 1 ? 1 ? 24.32 34.301 -14.879 2.602 ATOM 1 ? +2037 A A 268 1149 ? LYS LYS C CG CG 1 ? 1 ? 25.92 33.709 -13.61 1.996 ATOM 1 ? +2038 A A 268 1149 ? LYS LYS C CD CD 1 ? 1 ? 26.29 34.698 -12.832 1.123 ATOM 1 ? +2039 A A 268 1149 ? LYS LYS C CE CE 1 ? 1 ? 30.11 34.616 -13.216 -0.336 ATOM 1 ? +2040 A A 268 1149 ? LYS LYS N NZ NZ 1 1 1 ? 30.96 35.383 -12.283 -1.211 ATOM 1 ? +2041 A A 269 1150 ? ASN ASN N N N 1 ? 1 ? 24.61 34.459 -17.611 4.487 ATOM 1 ? +2042 A A 269 1150 ? ASN ASN C CA CA 1 ? 1 ? 23.53 34.729 -19.036 4.714 ATOM 1 ? +2043 A A 269 1150 ? ASN ASN C C C 1 ? 1 ? 27.97 33.43 -19.697 5.197 ATOM 1 ? +2044 A A 269 1150 ? ASN ASN O O O 1 ? 1 ? 27.1 33.086 -20.783 4.729 ATOM 1 ? +2045 A A 269 1150 ? ASN ASN C CB CB 1 ? 1 ? 23.2 35.852 -19.231 5.765 ATOM 1 ? +2046 A A 269 1150 ? ASN ASN C CG CG 1 ? 1 ? 37.26 37.25 -18.855 5.318 ATOM 1 ? +2047 A A 269 1150 ? ASN ASN O OD1 OD1 1 ? 1 ? 31.06 37.584 -18.828 4.135 ATOM 1 ? +2048 A A 269 1150 ? ASN ASN N ND2 ND2 1 ? 1 ? 28.49 38.116 -18.587 6.27 ATOM 1 ? +2049 A A 270 1151 ? CYS CYS N N N 1 ? 1 ? 24.75 32.679 -19.016 6.106 ATOM 1 ? +2050 A A 270 1151 ? CYS CYS C CA CA 1 ? 1 ? 24.26 31.39 -19.527 6.587 ATOM 1 ? +2051 A A 270 1151 ? CYS CYS C C C 1 ? 1 ? 26.96 30.348 -19.504 5.487 ATOM 1 ? +2052 A A 270 1151 ? CYS CYS O O O 1 ? 1 ? 28.1 29.399 -20.28 5.544 ATOM 1 ? +2053 A A 270 1151 ? CYS CYS C CB CB 1 ? 1 ? 24.72 30.919 -18.759 7.817 ATOM 1 ? +2054 A A 270 1151 ? CYS CYS S SG SG 1 ? 1 ? 28.5 32.033 -18.897 9.23 ATOM 1 ? +2055 A A 271 1152 ? TRP TRP N N N 1 ? 1 ? 22.46 30.532 -18.626 4.48 ATOM 1 ? +2056 A A 271 1152 ? TRP TRP C CA CA 1 ? 1 ? 21.79 29.66 -18.498 3.311 ATOM 1 ? +2057 A A 271 1152 ? TRP TRP C C C 1 ? 1 ? 27.12 30.111 -19.294 2.096 ATOM 1 ? +2058 A A 271 1152 ? TRP TRP O O O 1 ? 1 ? 28.19 29.731 -18.948 0.979 ATOM 1 ? +2059 A A 271 1152 ? TRP TRP C CB CB 1 ? 1 ? 20.33 29.477 -17.031 2.913 ATOM 1 ? +2060 A A 271 1152 ? TRP TRP C CG CG 1 ? 1 ? 20.37 28.87 -16.175 3.972 ATOM 1 ? +2061 A A 271 1152 ? TRP TRP C CD1 CD1 1 ? 1 ? 22.89 27.946 -16.545 4.904 ATOM 1 ? +2062 A A 271 1152 ? TRP TRP C CD2 CD2 1 ? 1 ? 20.73 29.128 -14.784 4.187 ATOM 1 ? +2063 A A 271 1152 ? TRP TRP N NE1 NE1 1 ? 1 ? 23.07 27.655 -15.483 5.728 ATOM 1 ? +2064 A A 271 1152 ? TRP TRP C CE2 CE2 1 ? 1 ? 24.96 28.359 -14.383 5.304 ATOM 1 ? +2065 A A 271 1152 ? TRP TRP C CE3 CE3 1 ? 1 ? 22.22 29.95 -13.834 3.552 ATOM 1 ? +2066 A A 271 1152 ? TRP TRP C CZ2 CZ2 1 ? 1 ? 24.78 28.352 -13.063 5.773 ATOM 1 ? +2067 A A 271 1152 ? TRP TRP C CZ3 CZ3 1 ? 1 ? 24.4 29.968 -12.536 4.04 ATOM 1 ? +2068 A A 271 1152 ? TRP TRP C CH2 CH2 1 ? 1 ? 25.28 29.165 -12.158 5.128 ATOM 1 ? +2069 A A 272 1153 ? GLU GLU N N N 1 ? 1 ? 24.18 30.903 -20.351 2.28 ATOM 1 ? +2070 A A 272 1153 ? GLU GLU C CA CA 1 ? 1 ? 24.71 31.309 -21.147 1.129 ATOM 1 ? +2071 A A 272 1153 ? GLU GLU C C C 1 ? 1 ? 28.8 30.064 -21.808 0.52 ATOM 1 ? +2072 A A 272 1153 ? GLU GLU O O O 1 ? 1 ? 28.09 29.192 -22.267 1.259 ATOM 1 ? +2073 A A 272 1153 ? GLU GLU C CB CB 1 ? 1 ? 26.07 32.379 -22.187 1.518 ATOM 1 ? +2074 A A 272 1153 ? GLU GLU C CG CG 1 ? 1 ? 30.04 33.804 -21.654 1.464 ATOM 1 ? +2075 A A 272 1153 ? GLU GLU C CD CD 1 ? 1 ? 47.46 34.302 -21.263 0.08 ATOM 1 ? +2076 A A 272 1153 ? GLU GLU O OE1 OE1 1 ? 1 ? 36.49 35.14 -20.337 0 ATOM 1 ? +2077 A A 272 1153 ? GLU GLU O OE2 OE2 1 -1 1 ? 46.47 33.819 -21.835 -0.926 ATOM 1 ? +2078 A A 273 1154 ? THR THR N N N 1 ? 1 ? 25.85 29.945 -21.772 -0.815 ATOM 1 ? +2079 A A 273 1154 ? THR THR C CA CA 1 ? 1 ? 25.28 28.807 -22.341 -1.549 ATOM 1 ? +2080 A A 273 1154 ? THR THR C C C 1 ? 1 ? 29.86 28.568 -23.785 -1.146 ATOM 1 ? +2081 A A 273 1154 ? THR THR O O O 1 ? 1 ? 30.27 27.457 -24.125 -0.747 ATOM 1 ? +2082 A A 273 1154 ? THR THR C CB CB 1 ? 1 ? 32.31 28.956 -22.128 -3.059 ATOM 1 ? +2083 A A 273 1154 ? THR THR O OG1 OG1 1 ? 1 ? 35.64 29.181 -20.735 -3.293 ATOM 1 ? +2084 A A 273 1154 ? THR THR C CG2 CG2 1 ? 1 ? 30.61 27.713 -22.566 -3.833 ATOM 1 ? +2085 A A 274 1155 ? GLU GLU N N N 1 ? 1 ? 26.82 29.623 -24.609 -1.201 ATOM 1 ? +2086 A A 274 1155 ? GLU GLU C CA CA 1 ? 1 ? 26.45 29.593 -26.006 -0.805 ATOM 1 ? +2087 A A 274 1155 ? GLU GLU C C C 1 ? 1 ? 29.41 29.568 -26.097 0.706 ATOM 1 ? +2088 A A 274 1155 ? GLU GLU O O O 1 ? 1 ? 29.07 30.404 -25.486 1.372 ATOM 1 ? +2089 A A 274 1155 ? GLU GLU C CB CB 1 ? 1 ? 28.25 30.773 -26.779 -1.406 ATOM 1 ? +2090 A A 274 1155 ? GLU GLU C CG CG 1 ? 1 ? 44.38 30.651 -26.996 -2.906 ATOM 1 ? +2091 A A 274 1155 ? GLU GLU C CD CD 1 ? 1 ? 77.13 29.365 -27.656 -3.372 ATOM 1 ? +2092 A A 274 1155 ? GLU GLU O OE1 OE1 1 ? 1 ? 73.28 29.007 -28.727 -2.828 ATOM 1 ? +2093 A A 274 1155 ? GLU GLU O OE2 OE2 1 -1 1 ? 76.62 28.703 -27.084 -4.269 ATOM 1 ? +2094 A A 275 1156 ? ALA ALA N N N 1 ? 1 ? 25.57 28.57 -26.818 1.232 ATOM 1 ? +2095 A A 275 1156 ? ALA ALA C CA CA 1 ? 1 ? 25.45 28.328 -26.991 2.663 ATOM 1 ? +2096 A A 275 1156 ? ALA ALA C C C 1 ? 1 ? 29.22 29.489 -27.707 3.357 ATOM 1 ? +2097 A A 275 1156 ? ALA ALA O O O 1 ? 1 ? 29.24 29.928 -27.267 4.413 ATOM 1 ? +2098 A A 275 1156 ? ALA ALA C CB CB 1 ? 1 ? 26.05 27.017 -27.745 2.89 ATOM 1 ? +2099 A A 276 1157 ? SER SER N N N 1 ? 1 ? 25.55 30.02 -28.766 2.728 ATOM 1 ? +2100 A A 276 1157 ? SER SER C CA CA 1 ? 1 ? 25.21 31.144 -29.564 3.23 ATOM 1 ? +2101 A A 276 1157 ? SER SER C C C 1 ? 1 ? 27.65 32.456 -28.759 3.321 ATOM 1 ? +2102 A A 276 1157 ? SER SER O O O 1 ? 1 ? 28.3 33.354 -29.159 4.057 ATOM 1 ? +2103 A A 276 1157 ? SER SER C CB CB 1 ? 1 ? 27.52 31.349 -30.779 2.336 ATOM 1 ? +2104 A A 276 1157 ? SER SER O OG OG 1 ? 1 ? 34.1 31.604 -30.347 1.01 ATOM 1 ? +2105 A A 277 1158 ? PHE PHE N N N 1 ? 1 ? 22.24 32.559 -27.639 2.584 ATOM 1 ? +2106 A A 277 1158 ? PHE PHE C CA CA 1 ? 1 ? 22.25 33.757 -26.8 2.564 ATOM 1 ? +2107 A A 277 1158 ? PHE PHE C C C 1 ? 1 ? 27.18 33.756 -25.677 3.615 ATOM 1 ? +2108 A A 277 1158 ? PHE PHE O O O 1 ? 1 ? 26.37 34.757 -24.975 3.77 ATOM 1 ? +2109 A A 277 1158 ? PHE PHE C CB CB 1 ? 1 ? 23.41 34.01 -26.266 1.142 ATOM 1 ? +2110 A A 277 1158 ? PHE PHE C CG CG 1 ? 1 ? 24.63 35.426 -25.853 0.824 ATOM 1 ? +2111 A A 277 1158 ? PHE PHE C CD1 CD1 1 ? 1 ? 27.73 36.486 -26.741 0.999 ATOM 1 ? +2112 A A 277 1158 ? PHE PHE C CD2 CD2 1 ? 1 ? 25.71 35.697 -24.602 0.275 ATOM 1 ? +2113 A A 277 1158 ? PHE PHE C CE1 CE1 1 ? 1 ? 29.01 37.795 -26.369 0.673 ATOM 1 ? +2114 A A 277 1158 ? PHE PHE C CE2 CE2 1 ? 1 ? 28.81 36.998 -24.248 -0.092 ATOM 1 ? +2115 A A 277 1158 ? PHE PHE C CZ CZ 1 ? 1 ? 27.89 38.043 -25.124 0.135 ATOM 1 ? +2116 A A 278 1159 ? ARG ARG N N N 1 ? 1 ? 24.04 32.649 -25.519 4.358 ATOM 1 ? +2117 A A 278 1159 ? ARG ARG C CA CA 1 ? 1 ? 22.52 32.576 -24.495 5.405 ATOM 1 ? +2118 A A 278 1159 ? ARG ARG C C C 1 ? 1 ? 25.72 33.32 -24.988 6.64 ATOM 1 ? +2119 A A 278 1159 ? ARG ARG O O O 1 ? 1 ? 24.94 33.325 -26.198 6.878 ATOM 1 ? +2120 A A 278 1159 ? ARG ARG C CB CB 1 ? 1 ? 21.32 31.109 -24.183 5.768 ATOM 1 ? +2121 A A 278 1159 ? ARG ARG C CG CG 1 ? 1 ? 26.97 30.372 -23.457 4.66 ATOM 1 ? +2122 A A 278 1159 ? ARG ARG C CD CD 1 ? 1 ? 23.08 28.888 -23.304 4.918 ATOM 1 ? +2123 A A 278 1159 ? ARG ARG N NE NE 1 ? 1 ? 21.78 28.195 -23.128 3.636 ATOM 1 ? +2124 A A 278 1159 ? ARG ARG C CZ CZ 1 ? 1 ? 28.28 27.04 -23.689 3.33 ATOM 1 ? +2125 A A 278 1159 ? ARG ARG N NH1 NH1 1 ? 1 ? 18 26.4 -24.429 4.224 ATOM 1 ? +2126 A A 278 1159 ? ARG ARG N NH2 NH2 1 1 1 ? 21.99 26.513 -23.52 2.125 ATOM 1 ? +2127 A A 279 1160 ? PRO PRO N N N 1 ? 1 ? 23.11 33.885 -24.089 7.488 ATOM 1 ? +2128 A A 279 1160 ? PRO PRO C CA CA 1 ? 1 ? 23.1 34.492 -24.559 8.748 ATOM 1 ? +2129 A A 279 1160 ? PRO PRO C C C 1 ? 1 ? 28.81 33.419 -25.11 9.673 ATOM 1 ? +2130 A A 279 1160 ? PRO PRO O O O 1 ? 1 ? 28.29 32.233 -24.865 9.454 ATOM 1 ? +2131 A A 279 1160 ? PRO PRO C CB CB 1 ? 1 ? 24.56 35.074 -23.275 9.367 ATOM 1 ? +2132 A A 279 1160 ? PRO PRO C CG CG 1 ? 1 ? 29.09 35.096 -22.266 8.265 ATOM 1 ? +2133 A A 279 1160 ? PRO PRO C CD CD 1 ? 1 ? 24.31 33.935 -22.614 7.394 ATOM 1 ? +2134 A A 280 1161 ? THR THR N N N 1 ? 1 ? 27.73 33.815 -25.863 10.697 ATOM 1 ? +2135 A A 280 1161 ? THR THR C CA CA 1 ? 1 ? 27.68 32.848 -26.35 11.682 ATOM 1 ? +2136 A A 280 1161 ? THR THR C C C 1 ? 1 ? 31.4 32.882 -25.347 12.838 ATOM 1 ? +2137 A A 280 1161 ? THR THR O O O 1 ? 1 ? 31.57 33.791 -24.512 12.885 ATOM 1 ? +2138 A A 280 1161 ? THR THR C CB CB 1 ? 1 ? 34.38 33.182 -27.786 12.149 ATOM 1 ? +2139 A A 280 1161 ? THR THR O OG1 OG1 1 ? 1 ? 40.07 34.473 -27.807 12.762 ATOM 1 ? +2140 A A 280 1161 ? THR THR C CG2 CG2 1 ? 1 ? 27.92 33.084 -28.817 11.028 ATOM 1 ? +2141 A A 281 1162 ? PHE PHE N N N 1 ? 1 ? 27.01 31.911 -25.417 13.766 ATOM 1 ? +2142 A A 281 1162 ? PHE PHE C CA CA 1 ? 1 ? 25.84 31.901 -24.54 14.935 ATOM 1 ? +2143 A A 281 1162 ? PHE PHE C C C 1 ? 1 ? 32.61 33.043 -24.907 15.85 ATOM 1 ? +2144 A A 281 1162 ? PHE PHE O O O 1 ? 1 ? 31.85 33.688 -24.005 16.402 ATOM 1 ? +2145 A A 281 1162 ? PHE PHE C CB CB 1 ? 1 ? 26.63 30.57 -24.613 15.695 ATOM 1 ? +2146 A A 281 1162 ? PHE PHE C CG CG 1 ? 1 ? 26.55 29.481 -23.813 15.045 ATOM 1 ? +2147 A A 281 1162 ? PHE PHE C CD1 CD1 1 ? 1 ? 28.27 29.595 -22.433 14.912 ATOM 1 ? +2148 A A 281 1162 ? PHE PHE C CD2 CD2 1 ? 1 ? 27.47 28.333 -24.434 14.572 ATOM 1 ? +2149 A A 281 1162 ? PHE PHE C CE1 CE1 1 ? 1 ? 29.15 28.584 -21.692 14.322 ATOM 1 ? +2150 A A 281 1162 ? PHE PHE C CE2 CE2 1 ? 1 ? 29.92 27.32 -23.689 13.97 ATOM 1 ? +2151 A A 281 1162 ? PHE PHE C CZ CZ 1 ? 1 ? 28.35 27.448 -22.324 13.851 ATOM 1 ? +2152 A A 282 1163 A GLU GLU N N N 0.5 ? 1 A 30.6 33.305 -26.226 16.003 ATOM 1 ? +2153 A A 282 1163 B GLU GLU N N N 0.5 ? 1 B 30.61 33.305 -26.227 16.002 ATOM 1 ? +2154 A A 282 1163 A GLU GLU C CA CA 0.5 ? 1 A 31.43 34.386 -26.774 16.826 ATOM 1 ? +2155 A A 282 1163 B GLU GLU C CA CA 0.5 ? 1 B 31.47 34.392 -26.786 16.811 ATOM 1 ? +2156 A A 282 1163 A GLU GLU C C C 0.5 ? 1 A 35.57 35.75 -26.196 16.409 ATOM 1 ? +2157 A A 282 1163 B GLU GLU C C C 0.5 ? 1 B 35.53 35.737 -26.161 16.406 ATOM 1 ? +2158 A A 282 1163 A GLU GLU O O O 0.5 ? 1 A 36.08 36.556 -25.871 17.278 ATOM 1 ? +2159 A A 282 1163 B GLU GLU O O O 0.5 ? 1 B 35.94 36.516 -25.781 17.276 ATOM 1 ? +2160 A A 282 1163 A GLU GLU C CB CB 0.5 ? 1 A 33.51 34.383 -28.314 16.767 ATOM 1 ? +2161 A A 282 1163 B GLU GLU C CB CB 0.5 ? 1 B 33.55 34.43 -28.323 16.665 ATOM 1 ? +2162 A A 282 1163 A GLU GLU C CG CG 0.5 ? 1 A 44.88 34.9 -28.989 18.029 ATOM 1 ? +2163 A A 282 1163 B GLU GLU C CG CG 0.5 ? 1 B 45.31 35.451 -29.021 17.552 ATOM 1 ? +2164 A A 282 1163 A GLU GLU C CD CD 0.5 ? 1 A 60.74 33.985 -28.95 19.241 ATOM 1 ? +2165 A A 282 1163 B GLU GLU C CD CD 0.5 ? 1 B 70.36 35.554 -30.519 17.338 ATOM 1 ? +2166 A A 282 1163 A GLU GLU O OE1 OE1 0.5 ? 1 A 44.22 32.84 -29.452 19.149 ATOM 1 ? +2167 A A 282 1163 B GLU GLU O OE1 OE1 0.5 ? 1 B 68.62 34.599 -31.241 17.708 ATOM 1 ? +2168 A A 282 1163 A GLU GLU O OE2 OE2 0.5 -1 1 A 51.18 34.432 -28.449 20.298 ATOM 1 ? +2169 A A 282 1163 B GLU GLU O OE2 OE2 0.5 -1 1 B 62.92 36.597 -30.974 16.814 ATOM 1 ? +2170 A A 283 1164 ? ASN ASN N N N 1 ? 1 ? 31.87 35.975 -26.01 15.094 ATOM 1 ? +2171 A A 283 1164 ? ASN ASN C CA CA 1 ? 1 ? 32.78 37.213 -25.426 14.573 ATOM 1 ? +2172 A A 283 1164 ? ASN ASN C C C 1 ? 1 ? 35.96 37.235 -23.89 14.542 ATOM 1 ? +2173 A A 283 1164 ? ASN ASN O O O 1 ? 1 ? 36.23 38.311 -23.304 14.513 ATOM 1 ? +2174 A A 283 1164 ? ASN ASN C CB CB 1 ? 1 ? 36.7 37.604 -26.06 13.232 ATOM 1 ? +2175 A A 283 1164 ? ASN ASN C CG CG 1 ? 1 ? 63.57 37.783 -27.56 13.332 ATOM 1 ? +2176 A A 283 1164 ? ASN ASN O OD1 OD1 1 ? 1 ? 57.24 38.404 -28.09 14.272 ATOM 1 ? +2177 A A 283 1164 ? ASN ASN N ND2 ND2 1 ? 1 ? 55.85 37.194 -28.283 12.396 ATOM 1 ? +2178 A A 284 1165 ? LEU LEU N N N 1 ? 1 ? 31.69 36.065 -23.245 14.552 ATOM 1 ? +2179 A A 284 1165 ? LEU LEU C CA CA 1 ? 1 ? 31.16 35.953 -21.786 14.558 ATOM 1 ? +2180 A A 284 1165 ? LEU LEU C C C 1 ? 1 ? 34.18 36.324 -21.152 15.898 ATOM 1 ? +2181 A A 284 1165 ? LEU LEU O O O 1 ? 1 ? 34.16 36.82 -20.024 15.907 ATOM 1 ? +2182 A A 284 1165 ? LEU LEU C CB CB 1 ? 1 ? 30.67 34.547 -21.331 14.126 ATOM 1 ? +2183 A A 284 1165 ? LEU LEU C CG CG 1 ? 1 ? 34.23 34.306 -21.244 12.614 ATOM 1 ? +2184 A A 284 1165 ? LEU LEU C CD1 CD1 1 ? 1 ? 33.6 32.808 -21.269 12.292 ATOM 1 ? +2185 A A 284 1165 ? LEU LEU C CD2 CD2 1 ? 1 ? 34.96 34.968 -20.01 12.013 ATOM 1 ? +2186 A A 285 1166 ? ILE ILE N N N 1 ? 1 ? 30.55 36.067 -21.857 17.018 ATOM 1 ? +2187 A A 285 1166 ? ILE ILE C CA CA 1 ? 1 ? 31.05 36.366 -21.391 18.385 ATOM 1 ? +2188 A A 285 1166 ? ILE ILE C C C 1 ? 1 ? 35.35 37.85 -21 18.565 ATOM 1 ? +2189 A A 285 1166 ? ILE ILE O O O 1 ? 1 ? 35.47 38.08 -19.849 18.945 ATOM 1 ? +2190 A A 285 1166 ? ILE ILE C CB CB 1 ? 1 ? 34.31 35.863 -22.367 19.492 ATOM 1 ? +2191 A A 285 1166 ? ILE ILE C CG1 CG1 1 ? 1 ? 33.6 34.341 -22.649 19.374 ATOM 1 ? +2192 A A 285 1166 ? ILE ILE C CG2 CG2 1 ? 1 ? 34.55 36.267 -21.886 20.912 ATOM 1 ? +2193 A A 285 1166 ? ILE ILE C CD1 CD1 1 ? 1 ? 34.27 33.936 -24.052 19.844 ATOM 1 ? +2194 A A 286 1167 ? PRO PRO N N N 1 ? 1 ? 32.93 38.858 -21.886 18.288 ATOM 1 ? +2195 A A 286 1167 ? PRO PRO C CA CA 1 ? 1 ? 33.7 40.274 -21.461 18.443 ATOM 1 ? +2196 A A 286 1167 ? PRO PRO C C C 1 ? 1 ? 37.46 40.652 -20.275 17.556 ATOM 1 ? +2197 A A 286 1167 ? PRO PRO O O O 1 ? 1 ? 37.76 41.435 -19.43 17.986 ATOM 1 ? +2198 A A 286 1167 ? PRO PRO C CB CB 1 ? 1 ? 35.68 41.087 -22.703 18.042 ATOM 1 ? +2199 A A 286 1167 ? PRO PRO C CG CG 1 ? 1 ? 39.57 40.141 -23.835 18.041 ATOM 1 ? +2200 A A 286 1167 ? PRO PRO C CD CD 1 ? 1 ? 34.52 38.77 -23.292 17.828 ATOM 1 ? +2201 A A 287 1168 ? ILE ILE N N N 1 ? 1 ? 33.56 40.078 -20.204 16.337 ATOM 1 ? +2202 A A 287 1168 ? ILE ILE C CA CA 1 ? 1 ? 34.43 40.306 -19.114 15.386 ATOM 1 ? +2203 A A 287 1168 ? ILE ILE C C C 1 ? 1 ? 39.38 39.773 -17.79 15.939 ATOM 1 ? +2204 A A 287 1168 ? ILE ILE O O O 1 ? 1 ? 40.64 40.507 -16.805 15.943 ATOM 1 ? +2205 A A 287 1168 ? ILE ILE C CB CB 1 ? 1 ? 37.45 39.77 -19.454 13.959 ATOM 1 ? +2206 A A 287 1168 ? ILE ILE C CG1 CG1 1 ? 1 ? 38.66 40.793 -20.282 13.155 ATOM 1 ? +2207 A A 287 1168 ? ILE ILE C CG2 CG2 1 ? 1 ? 37.9 39.436 -18.18 13.172 ATOM 1 ? +2208 A A 287 1168 ? ILE ILE C CD1 CD1 1 ? 1 ? 49.95 40.965 -21.7 13.532 ATOM 1 ? +2209 A A 288 1169 ? LEU LEU N N N 1 ? 1 ? 35.04 38.52 -17.775 16.44 ATOM 1 ? +2210 A A 288 1169 ? LEU LEU C CA CA 1 ? 1 ? 35.16 37.933 -16.578 17.039 ATOM 1 ? +2211 A A 288 1169 ? LEU LEU C C C 1 ? 1 ? 39.13 38.629 -16.193 18.336 ATOM 1 ? +2212 A A 288 1169 ? LEU LEU O O O 1 ? 1 ? 39.15 38.716 -15.005 18.635 ATOM 1 ? +2213 A A 288 1169 ? LEU LEU C CB CB 1 ? 1 ? 34.77 36.413 -16.692 17.197 ATOM 1 ? +2214 A A 288 1169 ? LEU LEU C CG CG 1 ? 1 ? 39.32 35.665 -16.504 15.882 ATOM 1 ? +2215 A A 288 1169 ? LEU LEU C CD1 CD1 1 ? 1 ? 38.98 34.485 -17.416 15.794 ATOM 1 ? +2216 A A 288 1169 ? LEU LEU C CD2 CD2 1 ? 1 ? 42.32 35.268 -15.054 15.673 ATOM 1 ? +2217 A A 289 1170 ? LYS LYS N N N 1 ? 1 ? 36.01 39.183 -17.186 19.068 ATOM 1 ? +2218 A A 289 1170 ? LYS LYS C CA CA 1 ? 1 ? 36.72 39.983 -16.945 20.269 ATOM 1 ? +2219 A A 289 1170 ? LYS LYS C C C 1 ? 1 ? 40.65 41.283 -16.195 19.901 ATOM 1 ? +2220 A A 289 1170 ? LYS LYS O O O 1 ? 1 ? 41.64 41.627 -15.236 20.594 ATOM 1 ? +2221 A A 289 1170 ? LYS LYS C CB CB 1 ? 1 ? 39.75 40.296 -18.258 21.006 ATOM 1 ? +2222 A A 289 1170 ? LYS LYS C CG CG 1 ? 1 ? 49.1 39.207 -18.683 21.983 ATOM 1 ? +2223 A A 289 1170 ? LYS LYS C CD CD 1 ? 1 ? 50.86 39.491 -20.027 22.651 ATOM 1 ? +2224 A A 289 1170 ? LYS LYS C CE CE 1 ? 1 ? 52.51 38.393 -20.394 23.621 ATOM 1 ? +2225 A A 289 1170 ? LYS LYS N NZ NZ 1 1 1 ? 57.18 38.448 -21.825 24.01 ATOM 1 ? +2226 A A 290 1171 A THR THR N N N 0.5 ? 1 A 36.53 41.959 -16.617 18.81 ATOM 1 ? +2227 A A 290 1171 B THR THR N N N 0.5 ? 1 B 36.72 41.983 -16.61 18.814 ATOM 1 ? +2228 A A 290 1171 A THR THR C CA CA 0.5 ? 1 A 37.42 43.198 -16.028 18.295 ATOM 1 ? +2229 A A 290 1171 B THR THR C CA CA 0.5 ? 1 B 37.75 43.223 -15.954 18.369 ATOM 1 ? +2230 A A 290 1171 A THR THR C C C 0.5 ? 1 A 42.7 42.977 -14.579 17.822 ATOM 1 ? +2231 A A 290 1171 B THR THR C C C 0.5 ? 1 B 42.85 43.016 -14.554 17.777 ATOM 1 ? +2232 A A 290 1171 A THR THR O O O 0.5 ? 1 A 43.76 43.755 -13.69 18.182 ATOM 1 ? +2233 A A 290 1171 B THR THR O O O 0.5 ? 1 B 43.91 43.841 -13.666 18.017 ATOM 1 ? +2234 A A 290 1171 A THR THR C CB CB 0.5 ? 1 A 44.04 43.797 -16.938 17.19 ATOM 1 ? +2235 A A 290 1171 B THR THR C CB CB 0.5 ? 1 B 45.83 44.184 -16.894 17.599 ATOM 1 ? +2236 A A 290 1171 A THR THR O OG1 OG1 0.5 ? 1 A 43.86 44.083 -18.23 17.734 ATOM 1 ? +2237 A A 290 1171 B THR THR O OG1 OG1 0.5 ? 1 B 44.59 45.427 -16.223 17.392 ATOM 1 ? +2238 A A 290 1171 A THR THR C CG2 CG2 0.5 ? 1 A 41.54 45.062 -16.361 16.558 ATOM 1 ? +2239 A A 290 1171 B THR THR C CG2 CG2 0.5 ? 1 B 44.51 43.636 -17.357 16.258 ATOM 1 ? +2240 A A 291 1172 ? VAL VAL N N N 1 ? 1 ? 38.41 41.913 -14.355 17.023 ATOM 1 ? +2241 A A 291 1172 ? VAL VAL C CA CA 1 ? 1 ? 38.45 41.555 -13.051 16.443 ATOM 1 ? +2242 A A 291 1172 ? VAL VAL C C C 1 ? 1 ? 41.53 41.158 -12.077 17.569 ATOM 1 ? +2243 A A 291 1172 ? VAL VAL O O O 1 ? 1 ? 42.01 41.59 -10.927 17.545 ATOM 1 ? +2244 A A 291 1172 ? VAL VAL C CB CB 1 ? 1 ? 41.81 40.494 -13.169 15.309 ATOM 1 ? +2245 A A 291 1172 ? VAL VAL C CG1 CG1 1 ? 1 ? 42.5 40.204 -11.818 14.677 ATOM 1 ? +2246 A A 291 1172 ? VAL VAL C CG2 CG2 1 ? 1 ? 41.53 40.955 -14.139 14.23 ATOM 1 ? +2247 A A 292 1173 ? HIS HIS N N N 1 ? 1 ? 38.24 40.42 -12.56 18.587 ATOM 1 ? +2248 A A 292 1173 ? HIS HIS C CA CA 1 ? 1 ? 40.4 40.027 -11.755 19.759 ATOM 1 ? +2249 A A 292 1173 ? HIS HIS C C C 1 ? 1 ? 47.62 41.252 -11.21 20.532 ATOM 1 ? +2250 A A 292 1173 ? HIS HIS O O O 1 ? 1 ? 49.1 41.222 -10.075 21.004 ATOM 1 ? +2251 A A 292 1173 ? HIS HIS C CB CB 1 ? 1 ? 40.76 39.112 -12.559 20.702 ATOM 1 ? +2252 A A 292 1173 ? HIS HIS C CG CG 1 ? 1 ? 45.46 38.96 -11.957 22.068 ATOM 1 ? +2253 A A 292 1173 ? HIS HIS N ND1 ND1 1 ? 1 ? 47.62 39.588 -12.504 23.17 ATOM 1 ? +2254 A A 292 1173 ? HIS HIS C CD2 CD2 1 ? 1 ? 48.07 38.296 -10.843 22.453 ATOM 1 ? +2255 A A 292 1173 ? HIS HIS C CE1 CE1 1 ? 1 ? 48.01 39.264 -11.726 24.189 ATOM 1 ? +2256 A A 292 1173 ? HIS HIS N NE2 NE2 1 ? 1 ? 48.71 38.491 -10.712 23.806 ATOM 1 ? +2257 A A 293 1174 ? GLU GLU N N N 1 ? 1 ? 44.81 42.316 -12.023 20.648 ATOM 1 ? +2258 A A 293 1174 ? GLU GLU C CA CA 1 ? 1 ? 46.21 43.564 -11.673 21.321 ATOM 1 ? +2259 A A 293 1174 ? GLU GLU C C C 1 ? 1 ? 50.61 44.332 -10.582 20.585 ATOM 1 ? +2260 A A 293 1174 ? GLU GLU O O O 1 ? 1 ? 52.07 44.847 -9.667 21.221 ATOM 1 ? +2261 A A 293 1174 ? GLU GLU C CB CB 1 ? 1 ? 47.47 44.442 -12.925 21.523 ATOM 1 ? +2262 A A 293 1174 ? GLU GLU C CG CG 1 ? 1 ? 61.33 43.953 -13.841 22.634 ATOM 1 ? +2263 A A 293 1174 ? GLU GLU C CD CD 1 ? 1 ? 91.22 43.796 -13.186 23.995 ATOM 1 ? +2264 A A 293 1174 ? GLU GLU O OE1 OE1 1 ? 1 ? 85.45 44.828 -12.899 24.645 ATOM 1 ? +2265 A A 293 1174 ? GLU GLU O OE2 OE2 1 -1 1 ? 90.84 42.636 -12.946 24.404 ATOM 1 ? +2266 A A 294 1175 ? LYS LYS N N N 1 ? 1 ? 46.46 44.403 -10.683 19.25 ATOM 1 ? +2267 A A 294 1175 ? LYS LYS C CA CA 1 ? 1 ? 47.54 45.089 -9.746 18.355 ATOM 1 ? +2268 A A 294 1175 ? LYS LYS C C C 1 ? 1 ? 53.38 44.565 -8.305 18.498 ATOM 1 ? +2269 A A 294 1175 ? LYS LYS O O O 1 ? 1 ? 54.66 45.362 -7.366 18.533 ATOM 1 ? +2270 A A 294 1175 ? LYS LYS C CB CB 1 ? 1 ? 48.94 44.953 -10.247 16.9 ATOM 1 ? +2271 A A 294 1175 ? LYS LYS C CG CG 1 ? 1 ? 54.83 45.52 -9.327 15.822 ATOM 1 ? +2272 A A 294 1175 ? LYS LYS C CD CD 1 ? 1 ? 59.27 45.512 -10.013 14.47 ATOM 1 ? +2273 A A 294 1175 ? LYS LYS C CE CE 1 ? 1 ? 69.03 46.252 -9.216 13.428 ATOM 1 ? +2274 A A 294 1175 ? LYS LYS N NZ NZ 1 1 1 ? 78.84 46.471 -10.013 12.196 ATOM 1 ? +2275 A A 295 1176 ? TYR TYR N N N 1 ? 1 ? 50.19 43.233 -8.143 18.579 ATOM 1 ? +2276 A A 295 1176 ? TYR TYR C CA CA 1 ? 1 ? 51.55 42.574 -6.84 18.66 ATOM 1 ? +2277 A A 295 1176 ? TYR TYR C C C 1 ? 1 ? 59.38 42.261 -6.344 20.082 ATOM 1 ? +2278 A A 295 1176 ? TYR TYR O O O 1 ? 1 ? 60.52 41.869 -5.182 20.23 ATOM 1 ? +2279 A A 295 1176 ? TYR TYR C CB CB 1 ? 1 ? 50.93 41.34 -6.784 17.728 ATOM 1 ? +2280 A A 295 1176 ? TYR TYR C CG CG 1 ? 1 ? 51.27 41.664 -7.062 16.272 ATOM 1 ? +2281 A A 295 1176 ? TYR TYR C CD1 CD1 1 ? 1 ? 54.59 42.179 -6.065 15.447 ATOM 1 ? +2282 A A 295 1176 ? TYR TYR C CD2 CD2 1 ? 1 ? 49.9 41.47 -8.325 15.723 ATOM 1 ? +2283 A A 295 1176 ? TYR TYR C CE1 CE1 1 ? 1 ? 54.39 42.483 -6.318 14.108 ATOM 1 ? +2284 A A 295 1176 ? TYR TYR C CE2 CE2 1 ? 1 ? 50.37 41.788 -8.594 14.393 ATOM 1 ? +2285 A A 295 1176 ? TYR TYR C CZ CZ 1 ? 1 ? 59.14 42.291 -7.587 13.588 ATOM 1 ? +2286 A A 295 1176 ? TYR TYR O OH OH 1 ? 1 ? 61.1 42.596 -7.852 12.272 ATOM 1 ? +2287 A A 296 1177 ? ARG ARG N N N 1 ? 1 ? 57.18 42.477 -7.191 21.125 ATOM 1 ? +2288 A A 296 1177 ? ARG ARG C CA CA 1 ? 1 ? 58.87 42.223 -6.807 22.522 ATOM 1 ? +2289 A A 296 1177 ? ARG ARG C C C 1 ? 1 ? 66.46 43.026 -5.576 22.972 ATOM 1 ? +2290 A A 296 1177 ? ARG ARG O O O 1 ? 1 ? 67.08 44.178 -5.408 22.557 ATOM 1 ? +2291 A A 296 1177 ? ARG ARG C CB CB 1 ? 1 ? 58.68 42.34 -7.999 23.506 ATOM 1 ? +2292 A A 296 1177 ? ARG ARG C CG CG 1 ? 1 ? 72.66 43.734 -8.279 24.063 ATOM 1 ? +2293 A A 296 1177 ? ARG ARG C CD CD 1 ? 1 ? 89.28 43.693 -9.234 25.239 ATOM 1 ? +2294 A A 296 1177 ? ARG ARG N NE NE 1 ? 1 ? 105.83 44.987 -9.311 25.923 ATOM 1 ? +2295 A A 296 1177 ? ARG ARG C CZ CZ 1 ? 1 ? 125.87 45.239 -10.085 26.976 ATOM 1 ? +2296 A A 296 1177 ? ARG ARG N NH1 NH1 1 ? 1 ? 115.49 44.289 -10.866 27.478 ATOM 1 ? +2297 A A 296 1177 ? ARG ARG N NH2 NH2 1 1 1 ? 115.15 46.442 -10.086 27.534 ATOM 1 ? +2298 A A 297 1178 ? HIS HIS N N N 1 ? 1 ? 64.94 42.379 -4.702 23.779 ATOM 1 ? +2299 A A 297 1178 ? HIS HIS C CA CA 1 ? 1 ? 108.59 42.923 -3.456 24.346 ATOM 1 ? +2300 A A 297 1178 ? HIS HIS C C C 1 ? 1 ? 140.56 43.572 -2.511 23.327 ATOM 1 ? +2301 A A 297 1178 ? HIS HIS O O O 1 ? 1 ? 102.68 43.25 -1.324 23.286 ATOM 1 ? +2302 A A 297 1178 ? HIS HIS C CB CB 1 ? 1 ? 109.98 43.862 -3.744 25.53 ATOM 1 ? +2303 A A 297 1178 ? HIS HIS C CG CG 1 ? 1 ? 112.85 43.149 -4.272 26.735 ATOM 1 ? +2304 A A 297 1178 ? HIS HIS N ND1 ND1 1 ? 1 ? 116.33 42.835 -3.452 27.806 ATOM 1 ? +2305 A A 297 1178 ? HIS HIS C CD2 CD2 1 ? 1 ? 112.91 42.688 -5.519 26.991 ATOM 1 ? +2306 A A 297 1178 ? HIS HIS C CE1 CE1 1 ? 1 ? 114.88 42.209 -4.225 28.679 ATOM 1 ? +2307 A A 297 1178 ? HIS HIS N NE2 NE2 1 ? 1 ? 113.13 42.095 -5.477 28.231 ATOM 1 ? +2308 B A 1 1201 ? SO4 SO4 S S S 1 ? 2 ? 98.41 28.386 2.789 26.486 HETATM 1 ? +2309 B A 1 1201 ? SO4 SO4 O O1 O1 1 ? 2 ? 98.62 29.382 3.597 27.187 HETATM 1 ? +2310 B A 1 1201 ? SO4 SO4 O O2 O2 1 ? 2 ? 98.25 28.317 3.244 25.102 HETATM 1 ? +2311 B A 1 1201 ? SO4 SO4 O O3 O3 1 -1 2 ? 98.89 28.779 1.375 26.537 HETATM 1 ? +2312 B A 1 1201 ? SO4 SO4 O O4 O4 1 -1 2 ? 97.87 27.073 2.943 27.118 HETATM 1 ? +2313 C A 1 1202 ? SO4 SO4 S S S 1 ? 2 ? 61.28 37.902 -7.021 1.164 HETATM 1 ? +2314 C A 1 1202 ? SO4 SO4 O O1 O1 1 ? 2 ? 61.73 39.109 -6.279 0.785 HETATM 1 ? +2315 C A 1 1202 ? SO4 SO4 O O2 O2 1 ? 2 ? 62.27 37.65 -8.069 0.202 HETATM 1 ? +2316 C A 1 1202 ? SO4 SO4 O O3 O3 1 -1 2 ? 60.38 38.078 -7.651 2.474 HETATM 1 ? +2317 C A 1 1202 ? SO4 SO4 O O4 O4 1 -1 2 ? 61.35 36.758 -6.103 1.177 HETATM 1 ? +2318 D A 1 1203 ? EDO EDO C C1 C1 1 ? 3 ? 48.43 10.131 -25.215 9.012 HETATM 1 ? +2319 D A 1 1203 ? EDO EDO O O1 O1 1 ? 3 ? 52.18 9.489 -25.691 10.185 HETATM 1 ? +2320 D A 1 1203 ? EDO EDO C C2 C2 1 ? 3 ? 45.57 9.939 -26.226 7.865 HETATM 1 ? +2321 D A 1 1203 ? EDO EDO O O2 O2 1 ? 3 ? 43.62 10.424 -27.497 8.236 HETATM 1 ? +2322 E A 1 1204 ? EDO EDO C C1 C1 1 ? 3 ? 54.97 15.516 -11.224 11.564 HETATM 1 ? +2323 E A 1 1204 ? EDO EDO O O1 O1 1 ? 3 ? 56.69 16.425 -10.503 12.379 HETATM 1 ? +2324 E A 1 1204 ? EDO EDO C C2 C2 1 ? 3 ? 53.79 15.951 -12.705 11.477 HETATM 1 ? +2325 E A 1 1204 ? EDO EDO O O2 O2 1 ? 3 ? 54.3 15.519 -13.4 12.632 HETATM 1 ? +2326 F A 1 1205 ? GOL GOL C C1 C1 1 ? 4 ? 79.14 9.594 -32.695 10.928 HETATM 1 ? +2327 F A 1 1205 ? GOL GOL O O1 O1 1 ? 4 ? 79 9.163 -31.346 11.01 HETATM 1 ? +2328 F A 1 1205 ? GOL GOL C C2 C2 1 ? 4 ? 80.35 9.567 -33.347 12.29 HETATM 1 ? +2329 F A 1 1205 ? GOL GOL O O2 O2 1 ? 4 ? 80.46 10.429 -32.632 13.182 HETATM 1 ? +2330 F A 1 1205 ? GOL GOL C C3 C3 1 ? 4 ? 81.3 10.025 -34.784 12.184 HETATM 1 ? +2331 F A 1 1205 ? GOL GOL O O3 O3 1 ? 4 ? 81.99 9.949 -35.433 13.447 HETATM 1 ? +2332 G A 1 1206 ? 0X2 0X2 C C4 C4 1 ? 5 ? 56.97 13.276 -13.062 22.034 HETATM 1 ? +2333 G A 1 1206 ? 0X2 0X2 C C5 C5 1 ? 5 ? 58.4 12.137 -12.417 21.572 HETATM 1 ? +2334 G A 1 1206 ? 0X2 0X2 C C6 C6 1 ? 5 ? 56.98 11.797 -12.461 20.218 HETATM 1 ? +2335 G A 1 1206 ? 0X2 0X2 C C11 C11 1 ? 5 ? 54.49 14.706 -12.992 27.739 HETATM 1 ? +2336 G A 1 1206 ? 0X2 0X2 C C7 C7 1 ? 5 ? 58.36 13.661 -12.93 23.477 HETATM 1 ? +2337 G A 1 1206 ? 0X2 0X2 C C8 C8 1 ? 5 ? 56.52 13.957 -14.025 25.664 HETATM 1 ? +2338 G A 1 1206 ? 0X2 0X2 C C9 C9 1 ? 5 ? 55.28 14.087 -15.277 26.29 HETATM 1 ? +2339 G A 1 1206 ? 0X2 0X2 C C10 C10 1 ? 5 ? 53.63 14.514 -15.348 27.632 HETATM 1 ? +2340 G A 1 1206 ? 0X2 0X2 C C12 C12 1 ? 5 ? 56.11 14.278 -12.875 26.411 HETATM 1 ? +2341 G A 1 1206 ? 0X2 0X2 N N1 N1 1 ? 5 ? 56.92 13.584 -13.99 24.299 HETATM 1 ? +2342 G A 1 1206 ? 0X2 0X2 N N2 N2 1 ? 5 ? 53.24 14.805 -14.223 28.319 HETATM 1 ? +2343 G A 1 1206 ? 0X2 0X2 C C3 C3 1 ? 5 ? 55.33 14.119 -13.704 21.127 HETATM 1 ? +2344 G A 1 1206 ? 0X2 0X2 O O2 O2 1 ? 5 ? 53.67 15.011 -11.957 28.375 HETATM 1 ? +2345 G A 1 1206 ? 0X2 0X2 O O1 O1 1 ? 5 ? 60.65 14.014 -11.811 23.822 HETATM 1 ? +2346 G A 1 1206 ? 0X2 0X2 CL CL2 CL2 1 ? 5 ? 55.28 15.608 -14.522 21.693 HETATM 1 ? +2347 G A 1 1206 ? 0X2 0X2 C C2 C2 1 ? 5 ? 53.01 13.792 -13.751 19.769 HETATM 1 ? +2348 G A 1 1206 ? 0X2 0X2 CL CL1 CL1 1 ? 5 ? 62.68 11.095 -11.555 22.74 HETATM 1 ? +2349 G A 1 1206 ? 0X2 0X2 C C1 C1 1 ? 5 ? 53.61 12.628 -13.129 19.316 HETATM 1 ? +2350 H A 1 1301 ? HOH HOH O O O 1 ? 6 ? 15.84 36.81 -27.022 10.031 HETATM 1 ? +2351 H A 2 1302 ? HOH HOH O O O 1 ? 6 ? 26.02 20.602 -21.138 11.542 HETATM 1 ? +2352 H A 3 1303 ? HOH HOH O O O 1 ? 6 ? 29.27 15.361 -22.211 16.183 HETATM 1 ? +2353 H A 4 1304 ? HOH HOH O O O 1 ? 6 ? 27.33 30.372 -26.599 8.824 HETATM 1 ? +2354 H A 5 1305 ? HOH HOH O O O 1 ? 6 ? 30.92 15.28 -13.28 6.343 HETATM 1 ? +2355 H A 6 1306 ? HOH HOH O O O 1 ? 6 ? 29.51 27.362 -30.269 7.883 HETATM 1 ? +2356 H A 7 1307 ? HOH HOH O O O 1 ? 6 ? 22.97 30.94 -28.426 15.212 HETATM 1 ? +2357 H A 8 1308 ? HOH HOH O O O 1 ? 6 ? 35.97 26.753 -12.953 2.247 HETATM 1 ? +2358 H A 9 1309 ? HOH HOH O O O 1 ? 6 ? 28.01 31.408 -28.173 6.853 HETATM 1 ? +2359 H A 10 1310 ? HOH HOH O O O 1 ? 6 ? 42.37 34.013 -2.935 24.848 HETATM 1 ? +2360 H A 11 1311 ? HOH HOH O O O 1 ? 6 ? 46.3 36.734 0.655 6.147 HETATM 1 ? +2361 H A 12 1312 ? HOH HOH O O O 1 ? 6 ? 22.93 39.76 -16.6 6.342 HETATM 1 ? +2362 H A 13 1313 ? HOH HOH O O O 1 ? 6 ? 26.29 21.505 -21.951 6.489 HETATM 1 ? +2363 H A 14 1314 ? HOH HOH O O O 1 ? 6 ? 27.25 22.416 -15.453 3.7 HETATM 1 ? +2364 H A 15 1315 ? HOH HOH O O O 1 ? 6 ? 32.07 28.332 -30.025 0.388 HETATM 1 ? +2365 H A 16 1316 ? HOH HOH O O O 1 ? 6 ? 45.34 25.782 -32.332 8.398 HETATM 1 ? +2366 H A 17 1317 ? HOH HOH O O O 1 ? 6 ? 38.61 29.245 -9.846 -3.792 HETATM 1 ? +2367 H A 18 1318 ? HOH HOH O O O 1 ? 6 ? 38.7 13.319 -16.649 22.725 HETATM 1 ? +2368 H A 19 1319 ? HOH HOH O O O 1 ? 6 ? 52.71 13.319 -19.813 22.96 HETATM 1 ? +2369 H A 20 1320 ? HOH HOH O O O 1 ? 6 ? 27.01 37.095 -10.548 0.051 HETATM 1 ? +2370 H A 21 1321 ? HOH HOH O O O 1 ? 6 ? 35.61 14.882 -24.116 7.738 HETATM 1 ? +2371 H A 22 1322 ? HOH HOH O O O 1 ? 6 ? 41.9 15.41 -32.24 0.663 HETATM 1 ? +2372 H A 23 1323 ? HOH HOH O O O 1 ? 6 ? 42.02 28.355 -30.962 5.154 HETATM 1 ? +2373 H A 24 1324 ? HOH HOH O O O 1 ? 6 ? 53.89 5.711 -8.01 22.432 HETATM 1 ? +2374 H A 25 1325 ? HOH HOH O O O 1 ? 6 ? 63.28 19.174 0.962 4.245 HETATM 1 ? +2375 H A 26 1326 ? HOH HOH O O O 1 ? 6 ? 32.72 19.067 -10.505 13.639 HETATM 1 ? +2376 H A 27 1327 ? HOH HOH O O O 1 ? 6 ? 45.74 31.654 -30.035 -1.716 HETATM 1 ? +2377 H A 28 1328 ? HOH HOH O O O 1 ? 6 ? 20.64 20.503 -16.475 2.094 HETATM 1 ? +2378 H A 29 1329 ? HOH HOH O O O 1 ? 6 ? 32.78 29.456 -27.999 10.881 HETATM 1 ? +2379 H A 30 1330 ? HOH HOH O O O 1 ? 6 ? 36.2 21.367 -5.051 34.698 HETATM 1 ? +2380 H A 31 1331 ? HOH HOH O O O 1 ? 6 ? 46.72 42.505 -13.378 6.086 HETATM 1 ? +2381 H A 32 1332 ? HOH HOH O O O 1 ? 6 ? 36.1 7.416 -24.307 6.56 HETATM 1 ? +2382 H A 33 1333 ? HOH HOH O O O 1 ? 6 ? 47.61 33.661 -31.179 5.486 HETATM 1 ? +2383 H A 34 1334 ? HOH HOH O O O 1 ? 6 ? 46.47 31.672 -22.398 26.656 HETATM 1 ? +2384 H A 35 1335 ? HOH HOH O O O 1 ? 6 ? 37.42 15.869 -6.829 27.966 HETATM 1 ? +2385 H A 36 1336 ? HOH HOH O O O 1 ? 6 ? 53.56 28.062 -1.462 19.192 HETATM 1 ? +2386 H A 37 1337 ? HOH HOH O O O 1 ? 6 ? 48.96 48.597 -17.923 18.719 HETATM 1 ? +2387 H A 38 1338 ? HOH HOH O O O 1 ? 6 ? 33.52 21.409 -6.755 12.011 HETATM 1 ? +2388 H A 39 1339 ? HOH HOH O O O 1 ? 6 ? 39.74 23.247 -26.249 -3.09 HETATM 1 ? +2389 H A 40 1340 ? HOH HOH O O O 1 ? 6 ? 66.4 46.199 -10.7 23.352 HETATM 1 ? +2390 H A 41 1341 ? HOH HOH O O O 1 ? 6 ? 38.11 31.871 -24.944 25.75 HETATM 1 ? +2391 H A 42 1342 ? HOH HOH O O O 1 ? 6 ? 45.66 43.13 -7.026 8.324 HETATM 1 ? +2392 H A 43 1343 ? HOH HOH O O O 1 ? 6 ? 55.65 -1.359 -7.959 28.501 HETATM 1 ? +2393 H A 44 1344 ? HOH HOH O O O 1 ? 6 ? 50.91 27.205 -34.488 10.053 HETATM 1 ? +2394 H A 45 1345 ? HOH HOH O O O 1 ? 6 ? 46.19 28.499 -24.568 29.806 HETATM 1 ? +2395 H A 46 1346 ? HOH HOH O O O 1 ? 6 ? 46.48 1.795 -16.941 20.252 HETATM 1 ? +2396 H A 47 1347 ? HOH HOH O O O 1 ? 6 ? 32.78 30.247 -29.91 17.768 HETATM 1 ? +2397 H A 48 1348 ? HOH HOH O O O 1 ? 6 ? 27.51 29.742 -27.312 13.468 HETATM 1 ? +2398 H A 49 1349 ? HOH HOH O O O 1 ? 6 ? 35.78 27.014 -10.298 37.131 HETATM 1 ? +2399 H A 50 1350 ? HOH HOH O O O 1 ? 6 ? 46.41 44.345 -20.911 16.252 HETATM 1 ? +2400 H A 51 1351 ? HOH HOH O O O 1 ? 6 ? 37.43 35.777 -20.077 26.952 HETATM 1 ? +2401 H A 52 1352 ? HOH HOH O O O 1 ? 6 ? 29.71 31.187 -25.85 23.314 HETATM 1 ? +2402 H A 53 1353 ? HOH HOH O O O 1 ? 6 ? 73.27 23.822 -0.991 -1.92 HETATM 1 ? +2403 H A 54 1354 ? HOH HOH O O O 1 ? 6 ? 47.47 33.915 -16.055 27.003 HETATM 1 ? +2404 H A 55 1355 ? HOH HOH O O O 1 ? 6 ? 41.36 24.959 -14.666 3.165 HETATM 1 ? +2405 H A 56 1356 ? HOH HOH O O O 1 ? 6 ? 49.86 16.913 -36.807 6.118 HETATM 1 ? +2406 H A 57 1357 ? HOH HOH O O O 1 ? 6 ? 62.02 19.681 -13.878 -9.254 HETATM 1 ? +2407 H A 58 1358 ? HOH HOH O O O 1 ? 6 ? 73.05 24.172 -24.525 -4.523 HETATM 1 ? +2408 H A 59 1359 ? HOH HOH O O O 1 ? 6 ? 50.8 28.124 -3.217 5.214 HETATM 1 ? +2409 H A 60 1360 ? HOH HOH O O O 1 ? 6 ? 54.16 0.538 -15.225 18.644 HETATM 1 ? +2410 H A 61 1361 ? HOH HOH O O O 1 ? 6 ? 56.29 17.153 -23.896 35.964 HETATM 1 ? +2411 H A 62 1362 ? HOH HOH O O O 1 ? 6 ? 65.68 16.414 -6.39 23.652 HETATM 1 ? +2412 H A 63 1363 ? HOH HOH O O O 1 ? 6 ? 43.68 18.766 -24.862 28.31 HETATM 1 ? +2413 H A 64 1364 ? HOH HOH O O O 1 ? 6 ? 46.35 13.146 -32.254 16.056 HETATM 1 ? +2414 H A 65 1365 ? HOH HOH O O O 1 ? 6 ? 73.49 17.276 -18.476 36.551 HETATM 1 ? +2415 H A 66 1366 ? HOH HOH O O O 1 ? 6 ? 40.82 38.626 -15.231 24.453 HETATM 1 ? +2416 H A 67 1367 ? HOH HOH O O O 1 ? 6 ? 53.6 3.869 -12.303 41.103 HETATM 1 ? +2417 H A 68 1368 ? HOH HOH O O O 1 ? 6 ? 37.61 36.564 -4.229 22.905 HETATM 1 ? +2418 H A 69 1369 ? HOH HOH O O O 1 ? 6 ? 32.87 29.426 -30.377 9.719 HETATM 1 ? +2419 H A 70 1370 ? HOH HOH O O O 1 ? 6 ? 39.93 41.1 -8.48 0.876 HETATM 1 ? +2420 H A 71 1371 ? HOH HOH O O O 1 ? 6 ? 38.48 25.363 -25.916 -0.645 HETATM 1 ? +2421 H A 72 1372 ? HOH HOH O O O 1 ? 6 ? 37.73 9.423 -11.165 -8.793 HETATM 1 ? +2422 H A 73 1373 ? HOH HOH O O O 1 ? 6 ? 56.98 19.14 -14.15 -11.722 HETATM 1 ? +2423 H A 74 1374 ? HOH HOH O O O 1 ? 6 ? 46.91 20.142 0.483 14.069 HETATM 1 ? +2424 H A 75 1375 ? HOH HOH O O O 1 ? 6 ? 49.82 -2.22 -23.491 39.847 HETATM 1 ? +2425 H A 76 1376 ? HOH HOH O O O 1 ? 6 ? 29.83 40.981 -14.788 7.745 HETATM 1 ? +2426 H A 77 1377 ? HOH HOH O O O 1 ? 6 ? 39.68 12.677 -13.456 5.459 HETATM 1 ? +2427 H A 78 1378 ? HOH HOH O O O 1 ? 6 ? 49.14 14.659 -9.394 22.769 HETATM 1 ? + +loop_ +_atom_site_anisotrop.id +_atom_site_anisotrop.type_symbol +_atom_site_anisotrop.pdbx_formal_charge +_atom_site_anisotrop.pdbx_label_atom_id +_atom_site_anisotrop.pdbx_label_alt_id +_atom_site_anisotrop.pdbx_label_comp_id +_atom_site_anisotrop.pdbx_label_asym_id +_atom_site_anisotrop.pdbx_label_seq_id +_atom_site_anisotrop.pdbx_auth_atom_id +_atom_site_anisotrop.pdbx_auth_alt_id +_atom_site_anisotrop.pdbx_auth_comp_id +_atom_site_anisotrop.pdbx_auth_asym_id +_atom_site_anisotrop.pdbx_auth_seq_id +_atom_site_anisotrop.u11 +_atom_site_anisotrop.u22 +_atom_site_anisotrop.u33 +_atom_site_anisotrop.u12 +_atom_site_anisotrop.u13 +_atom_site_anisotrop.u23 +1 N 1 N ? THR A 9 N ? THR A 890 0.9978 1.1858 0.7375 0.0108 0.1859 0.0784 +2 C ? CA ? THR A 9 CA ? THR A 890 0.9968 1.2204 0.7203 0.0241 0.1927 0.088 +3 C ? C ? THR A 9 C ? THR A 890 1.0088 1.2646 0.7575 0.0076 0.1966 0.0782 +4 O ? O ? THR A 9 O ? THR A 890 0.9728 1.234 0.7317 0.0005 0.1834 0.055 +5 C ? CB ? THR A 9 CB ? THR A 890 1.1329 1.3652 0.821 0.0517 0.1768 0.0767 +6 O ? OG1 ? THR A 9 OG1 ? THR A 890 1.1936 1.4028 0.8599 0.0681 0.1756 0.0864 +7 C ? CG2 ? THR A 9 CG2 ? THR A 890 1.1093 1.3825 0.7813 0.0691 0.1803 0.0805 +8 N ? N ? VAL A 10 N ? VAL A 891 0.9665 1.247 0.7253 0.0028 0.2154 0.0971 +9 C ? CA ? VAL A 10 CA ? VAL A 891 0.9439 1.262 0.7266 -0.0108 0.2208 0.0885 +10 C ? C ? VAL A 10 C ? VAL A 891 0.9675 1.3228 0.7216 0.0124 0.2149 0.0843 +11 O ? O ? VAL A 10 O ? VAL A 891 0.9893 1.3615 0.7224 0.0297 0.2242 0.1032 +12 C ? CB ? VAL A 10 CB ? VAL A 891 1.0196 1.3458 0.8392 -0.0335 0.2449 0.1081 +13 C ? CG1 ? VAL A 10 CG1 ? VAL A 891 1.0038 1.3802 0.8425 -0.0421 0.2516 0.1002 +14 C ? CG2 ? VAL A 10 CG2 ? VAL A 891 1.0217 1.3131 0.8802 -0.0583 0.2459 0.101 +15 N ? N ? PHE A 11 N ? PHE A 892 0.8843 1.2526 0.6374 0.0154 0.1985 0.0592 +16 C ? CA ? PHE A 11 CA ? PHE A 892 0.8693 1.2686 0.601 0.0374 0.189 0.0493 +17 C ? C ? PHE A 11 C ? PHE A 892 0.906 1.3517 0.654 0.0309 0.1993 0.0487 +18 O ? O ? PHE A 11 O ? PHE A 892 0.8891 1.3424 0.6688 0.0077 0.2063 0.0441 +19 C ? CB ? PHE A 11 CB ? PHE A 892 0.8693 1.2549 0.5954 0.0439 0.1671 0.0258 +20 C ? CG ? PHE A 11 CG ? PHE A 892 0.8936 1.2442 0.6006 0.0564 0.1545 0.0227 +21 C ? CD1 ? PHE A 11 CD1 ? PHE A 892 0.9305 1.246 0.6447 0.0435 0.1542 0.025 +22 C ? CD2 ? PHE A 11 CD2 ? PHE A 892 0.9234 1.2785 0.6089 0.0813 0.1415 0.0135 +23 C ? CE1 ? PHE A 11 CE1 ? PHE A 892 0.9439 1.232 0.6417 0.0552 0.1425 0.0203 +24 C ? CE2 ? PHE A 11 CE2 ? PHE A 892 0.9591 1.2856 0.6322 0.0917 0.1296 0.0071 +25 C ? CZ ? PHE A 11 CZ ? PHE A 892 0.9342 1.2286 0.6125 0.0784 0.1307 0.0113 +26 N ? N ? HIS A 12 N ? HIS A 893 0.862 1.3431 0.5901 0.0528 0.1989 0.0499 +27 C ? CA ? HIS A 12 CA ? HIS A 893 0.8488 1.3809 0.5884 0.0513 0.2075 0.048 +28 C ? C ? HIS A 12 C ? HIS A 893 0.8537 1.404 0.584 0.068 0.1882 0.0228 +29 O ? O ? HIS A 12 O ? HIS A 893 0.8294 1.3763 0.535 0.0936 0.1739 0.0148 +30 C ? CB ? HIS A 12 CB ? HIS A 893 0.8852 1.4517 0.6117 0.0641 0.2245 0.0709 +31 C ? CG ? HIS A 12 CG ? HIS A 893 0.9538 1.4987 0.6888 0.0502 0.2449 0.1011 +32 N ? ND1 ? HIS A 12 ND1 ? HIS A 893 0.9816 1.5185 0.756 0.0179 0.2617 0.1109 +33 C ? CD2 ? HIS A 12 CD2 ? HIS A 893 1 1.5303 0.7106 0.0665 0.2503 0.1223 +34 C ? CE1 ? HIS A 12 CE1 ? HIS A 893 1.0036 1.5161 0.7775 0.0145 0.2773 0.1401 +35 N ? NE2 ? HIS A 12 NE2 ? HIS A 893 1.0199 1.5291 0.7534 0.0444 0.2714 0.1492 +36 N ? N ? LYS A 13 N ? LYS A 894 0.797 1.3665 0.5501 0.0542 0.1872 0.009 +37 C ? CA ? LYS A 13 CA ? LYS A 894 0.7762 1.3632 0.5249 0.0684 0.1706 -0.0127 +38 C ? C ? LYS A 13 C ? LYS A 894 0.8456 1.4687 0.5742 0.0964 0.1652 -0.0179 +39 O ? O ? LYS A 13 O ? LYS A 894 0.8458 1.4642 0.5631 0.1162 0.1468 -0.034 +40 C ? CB ? LYS A 13 CB ? LYS A 894 0.7913 1.4044 0.5687 0.0501 0.1747 -0.0242 +41 C ? CG ? LYS A 13 CG ? LYS A 894 0.9719 1.5847 0.7457 0.0617 0.1562 -0.0434 +42 C ? CD ? LYS A 13 CD ? LYS A 894 1.0718 1.7117 0.8736 0.0451 0.1595 -0.0562 +43 C ? CE ? LYS A 13 CE ? LYS A 894 1.1342 1.777 0.9291 0.0605 0.1426 -0.0707 +44 N 1 NZ ? LYS A 13 NZ ? LYS A 894 1.1863 1.8592 1.0069 0.0474 0.1446 -0.085 +45 N ? N ? ARG A 14 N ? ARG A 895 0.8157 1.4751 0.5417 0.0989 0.1815 -0.0035 +46 C ? CA ? ARG A 14 CA ? ARG A 895 0.829 1.5336 0.5361 0.1267 0.1788 -0.0075 +47 C ? C ? ARG A 14 C ? ARG A 895 0.8782 1.5609 0.559 0.1567 0.1586 -0.0186 +48 O ? O ? ARG A 14 O ? ARG A 895 0.8753 1.5814 0.5466 0.1819 0.1437 -0.0374 +49 C ? CB ? ARG A 14 CB ? ARG A 895 0.861 1.6027 0.5695 0.1218 0.2035 0.0177 +50 C ? CG ? ARG A 14 CG ? ARG A 895 1.0481 1.8495 0.7375 0.1512 0.2039 0.0157 +51 C ? CD ? ARG A 14 CD ? ARG A 895 1.2757 2.1235 0.9738 0.1414 0.2326 0.0439 +52 N ? NE ? ARG A 14 NE ? ARG A 895 1.4935 2.3203 1.1791 0.1422 0.2463 0.0734 +53 C ? CZ ? ARG A 14 CZ ? ARG A 895 1.7372 2.5289 1.4431 0.113 0.2645 0.0977 +54 N ? NH1 ? ARG A 14 NH1 ? ARG A 895 1.5966 2.3718 1.3387 0.0797 0.2701 0.0927 +55 N 1 NH2 ? ARG A 14 NH2 ? ARG A 895 1.6025 2.3769 1.2935 0.1191 0.2761 0.1255 +56 N ? N ? TYR A 15 N ? TYR A 896 0.8289 1.4675 0.5012 0.1544 0.1571 -0.0096 +57 C ? CA ? TYR A 15 CA ? TYR A 896 0.8237 1.4416 0.477 0.1804 0.1384 -0.0225 +58 C ? C ? TYR A 15 C ? TYR A 896 0.8411 1.4094 0.5022 0.1762 0.1197 -0.0383 +59 O ? O ? TYR A 15 O ? TYR A 896 0.8371 1.3846 0.4903 0.1945 0.1033 -0.0518 +60 C ? CB ? TYR A 15 CB ? TYR A 896 0.8524 1.4637 0.489 0.1872 0.1475 -0.0048 +61 C ? CG ? TYR A 15 CG ? TYR A 896 0.8884 1.5515 0.5174 0.1927 0.1686 0.0167 +62 C ? CD1 ? TYR A 15 CD1 ? TYR A 896 0.921 1.6403 0.5356 0.2224 0.1645 0.0071 +63 C ? CD2 ? TYR A 15 CD2 ? TYR A 896 0.9082 1.5659 0.5471 0.1685 0.1932 0.047 +64 C ? CE1 ? TYR A 15 CE1 ? TYR A 896 0.9452 1.7192 0.5531 0.2278 0.1859 0.0297 +65 C ? CE2 ? TYR A 15 CE2 ? TYR A 896 0.9409 1.6466 0.5762 0.1722 0.2155 0.0718 +66 C ? CZ ? TYR A 15 CZ ? TYR A 896 1.0474 1.8137 0.6659 0.2019 0.2126 0.0642 +67 O ? OH ? TYR A 15 OH ? TYR A 896 1.0934 1.9134 0.7084 0.2062 0.2364 0.0914 +68 N ? N ? LEU A 16 N ? LEU A 897 0.7757 1.3305 0.4549 0.1535 0.1222 -0.0378 +69 C ? CA ? LEU A 16 CA ? LEU A 897 0.7621 1.2771 0.4498 0.1485 0.1078 -0.0479 +70 C ? C ? LEU A 16 C ? LEU A 897 0.7826 1.3142 0.474 0.1647 0.0944 -0.0644 +71 O ? O ? LEU A 16 O ? LEU A 897 0.7673 1.3324 0.4659 0.1602 0.1005 -0.0657 +72 C ? CB ? LEU A 16 CB ? LEU A 897 0.7541 1.2517 0.4581 0.1185 0.118 -0.0382 +73 C ? CG ? LEU A 16 CG ? LEU A 897 0.8093 1.2594 0.517 0.1089 0.1101 -0.0382 +74 C ? CD1 ? LEU A 16 CD1 ? LEU A 897 0.8168 1.2398 0.5114 0.116 0.1075 -0.0342 +75 C ? CD2 ? LEU A 16 CD2 ? LEU A 897 0.838 1.2828 0.5628 0.0823 0.1204 -0.0318 +76 N ? N ? LYS A 17 N ? LYS A 898 0.7255 1.235 0.414 0.185 0.076 -0.0782 +77 C ? CA ? LYS A 17 CA ? LYS A 898 0.72 1.2354 0.4138 0.2041 0.061 -0.0936 +78 C ? C ? LYS A 17 C ? LYS A 898 0.752 1.2202 0.4582 0.1994 0.0501 -0.0938 +79 O ? O ? LYS A 17 O ? LYS A 898 0.7489 1.1819 0.4581 0.1997 0.0433 -0.0958 +80 C ? CB ? LYS A 17 CB ? LYS A 898 0.7706 1.3034 0.4569 0.2348 0.0481 -0.1115 +81 C ? CG ? LYS A 17 CG ? LYS A 898 0.936 1.4722 0.6308 0.2578 0.0305 -0.13 +82 C ? CD ? LYS A 17 CD ? LYS A 898 1.0632 1.5983 0.7595 0.287 0.0124 -0.1532 +83 C ? CE ? LYS A 17 CE ? LYS A 898 1.1897 1.6769 0.9077 0.2956 -0.0065 -0.1655 +84 N 1 NZ ? LYS A 17 NZ ? LYS A 898 1.3279 1.8203 1.0543 0.3079 -0.0146 -0.1708 +85 N ? N ? LYS A 18 N ? LYS A 899 0.696 1.1675 0.41 0.1967 0.0491 -0.0915 +86 C ? CA ? LYS A 18 CA ? LYS A 899 0.6892 1.1226 0.4147 0.1938 0.0415 -0.0863 +87 C ? C ? LYS A 18 C ? LYS A 899 0.7535 1.1596 0.4886 0.2161 0.0238 -0.0979 +88 O ? O ? LYS A 18 O ? LYS A 899 0.7629 1.1888 0.4974 0.238 0.0151 -0.1111 +89 C ? CB ? LYS A 18 CB ? LYS A 899 0.7134 1.1678 0.442 0.1904 0.0457 -0.0802 +90 C ? CG ? LYS A 18 CG ? LYS A 899 0.8051 1.228 0.543 0.1849 0.0428 -0.068 +91 C ? CD ? LYS A 18 CD ? LYS A 899 0.9434 1.3835 0.6829 0.1998 0.0389 -0.0656 +92 C ? CE ? LYS A 18 CE ? LYS A 899 1.0346 1.4487 0.7819 0.1972 0.038 -0.049 +93 N 1 NZ ? LYS A 18 NZ ? LYS A 899 1.1502 1.5852 0.8962 0.2153 0.0353 -0.0437 +94 N ? N ? ILE A 19 N ? ILE A 900 0.7118 1.0736 0.4593 0.2101 0.0183 -0.0944 +95 C ? CA ? ILE A 19 CA ? ILE A 900 0.726 1.0557 0.4924 0.2271 0.002 -0.1059 +96 C ? C ? ILE A 19 C ? ILE A 900 0.7987 1.1026 0.5813 0.2291 -0.0015 -0.0928 +97 O ? O ? ILE A 19 O ? ILE A 900 0.8097 1.1092 0.6026 0.2501 -0.0126 -0.101 +98 C ? CB ? ILE A 19 CB ? ILE A 900 0.76 1.0638 0.5349 0.2242 -0.0035 -0.1161 +99 C ? CG1 ? ILE A 19 CG1 ? ILE A 900 0.7795 1.1102 0.5463 0.2449 -0.0114 -0.1395 +100 C ? CG2 ? ILE A 19 CG2 ? ILE A 900 0.771 1.0286 0.5763 0.2261 -0.0148 -0.1184 +101 C ? CD1 ? ILE A 19 CD1 ? ILE A 900 0.8708 1.2414 0.611 0.2402 0.002 -0.1344 +102 N ? N ? ARG A 20 N ? ARG A 901 0.7594 1.0486 0.544 0.2095 0.0081 -0.072 +103 C ? CA ? ARG A 20 CA ? ARG A 901 0.7683 1.0386 0.5656 0.2115 0.0082 -0.0531 +104 C ? C ? ARG A 20 C ? ARG A 901 0.817 1.0906 0.6094 0.1908 0.0209 -0.0321 +105 O ? O ? ARG A 20 O ? ARG A 901 0.8012 1.0729 0.5892 0.1728 0.0266 -0.0333 +106 C ? CB ? ARG A 20 CB ? ARG A 901 0.7806 1.0048 0.608 0.2226 -0.0042 -0.0554 +107 C ? CG ? ARG A 20 CG ? ARG A 901 0.7958 0.9825 0.644 0.2056 -0.0014 -0.0424 +108 C ? CD ? ARG A 20 CD ? ARG A 901 0.8855 1.0499 0.7516 0.2106 0.0005 -0.0171 +109 N ? NE ? ARG A 20 NE ? ARG A 901 1.042 1.1633 0.9414 0.2003 -0.0006 -0.0085 +110 C ? CZ ? ARG A 20 CZ ? ARG A 901 1.2602 1.3428 1.1959 0.2106 -0.0114 -0.0146 +111 N ? NH1 ? ARG A 20 NH1 ? ARG A 901 1.1257 1.2068 1.0664 0.2339 -0.0235 -0.0305 +112 N 1 NH2 ? ARG A 20 NH2 ? ARG A 901 1.0988 1.1452 1.0697 0.1976 -0.0104 -0.0063 +113 N ? N ? ASP A 21 N ? ASP A 902 0.7916 1.0737 0.5841 0.1963 0.0246 -0.0139 +114 C ? CA ? ASP A 21 CA ? ASP A 902 0.7799 1.0755 0.5676 0.1823 0.0353 0.0044 +115 C ? C ? ASP A 21 C ? ASP A 902 0.8119 1.0727 0.6162 0.1699 0.0374 0.0196 +116 O ? O ? ASP A 21 O ? ASP A 902 0.8206 1.0445 0.6464 0.1767 0.0316 0.0265 +117 C ? CB ? ASP A 21 CB ? ASP A 902 0.8189 1.1436 0.5995 0.1976 0.0382 0.0181 +118 C ? CG ? ASP A 21 CG ? ASP A 902 0.9876 1.3627 0.7512 0.2025 0.0403 0.0029 +119 O ? OD1 ? ASP A 21 OD1 ? ASP A 902 0.9771 1.377 0.734 0.1848 0.0473 -0.0067 +120 O -1 OD2 ? ASP A 21 OD2 ? ASP A 902 1.0933 1.4838 0.8531 0.224 0.0354 0.0006 +121 N ? N ? LEU A 22 N ? LEU A 903 0.7474 1.0224 0.545 0.1518 0.0457 0.0243 +122 C ? CA ? LEU A 22 CA ? LEU A 903 0.7451 0.9985 0.556 0.1385 0.0493 0.0383 +123 C ? C ? LEU A 22 C ? LEU A 903 0.7956 1.0763 0.6025 0.1396 0.0578 0.0609 +124 O ? O ? LEU A 22 O ? LEU A 903 0.8005 1.065 0.6221 0.1384 0.0612 0.0824 +125 C ? CB ? LEU A 22 CB ? LEU A 903 0.7227 0.9724 0.529 0.1198 0.0505 0.0237 +126 C ? CG ? LEU A 22 CG ? LEU A 903 0.7781 1.0116 0.5832 0.1212 0.0434 0.0015 +127 C ? CD1 ? LEU A 22 CD1 ? LEU A 903 0.7672 1.0101 0.5592 0.1066 0.0475 -0.009 +128 C ? CD2 ? LEU A 22 CD2 ? LEU A 903 0.8188 1.0126 0.6478 0.1247 0.0349 -0.0023 +129 N ? N ? GLY A 23 N ? GLY A 904 0.7517 1.0775 0.541 0.1425 0.0615 0.0552 +130 C ? CA ? GLY A 23 CA ? GLY A 904 0.7598 1.1248 0.5428 0.1482 0.068 0.0707 +131 C ? C ? GLY A 23 C ? GLY A 904 0.8152 1.2254 0.5874 0.1386 0.0713 0.0533 +132 O ? O ? GLY A 23 O ? GLY A 904 0.782 1.1952 0.5507 0.1292 0.0699 0.0315 +133 N ? N ? GLU A 24 N ? GLU A 905 0.8141 1.262 0.5837 0.142 0.0761 0.0631 +134 C ? CA ? GLU A 24 CA ? GLU A 905 0.812 1.3073 0.5781 0.1346 0.0779 0.0446 +135 C ? C ? GLU A 24 C ? GLU A 905 0.906 1.4244 0.6739 0.1336 0.0815 0.0564 +136 O ? O ? GLU A 24 O ? GLU A 905 0.927 1.446 0.6947 0.1464 0.085 0.0841 +137 C ? CB ? GLU A 24 CB ? GLU A 905 0.8293 1.3749 0.5891 0.1485 0.0772 0.0309 +138 C ? CG ? GLU A 24 CG ? GLU A 905 1.004 1.5717 0.7557 0.1762 0.0774 0.0508 +139 C ? CD ? GLU A 24 CD ? GLU A 905 1.2775 1.8874 1.0233 0.1902 0.0749 0.0331 +140 O ? OE1 ? GLU A 24 OE1 ? GLU A 905 1.1932 1.8549 0.942 0.1871 0.0753 0.0104 +141 O -1 OE2 ? GLU A 24 OE2 ? GLU A 905 1.2318 1.8247 0.9729 0.2048 0.0719 0.0396 +142 N ? N ? GLY A 25 N ? GLY A 906 0.8743 1.4095 0.646 0.1185 0.081 0.0366 +143 C ? CA ? GLY A 25 CA ? GLY A 906 0.8811 1.4427 0.6552 0.1171 0.0829 0.0417 +144 C ? C ? GLY A 25 C ? GLY A 906 0.9469 1.5767 0.7212 0.1251 0.0816 0.0231 +145 O ? O ? GLY A 25 O ? GLY A 906 0.9538 1.6284 0.7231 0.1429 0.0839 0.0373 +146 N ? N ? HIS A 26 N ? HIS A 907 0.9002 1.5404 0.6833 0.1123 0.078 -0.009 +147 C ? CA ? HIS A 26 CA ? HIS A 907 0.8963 1.6019 0.6879 0.1183 0.0749 -0.035 +148 C ? C ? HIS A 26 C ? HIS A 907 0.9626 1.6932 0.7583 0.1235 0.0741 -0.0531 +149 O ? O ? HIS A 26 O ? HIS A 907 0.9498 1.697 0.7633 0.1112 0.072 -0.0836 +150 C ? CB A HIS A 26 CB A HIS A 907 0.8892 1.5938 0.6962 0.1 0.0712 -0.0598 +151 C ? CB B HIS A 26 CB B HIS A 907 0.8915 1.5926 0.6987 0.0989 0.0713 -0.06 +152 C ? CG A HIS A 26 CG A HIS A 907 0.923 1.6989 0.7428 0.1093 0.0661 -0.0869 +153 C ? CG B HIS A 26 CG B HIS A 907 0.9285 1.5826 0.7454 0.0766 0.0717 -0.0745 +154 N ? ND1 A HIS A 26 ND1 A HIS A 907 0.9498 1.7822 0.7605 0.1324 0.0655 -0.0765 +155 N ? ND1 B HIS A 26 ND1 B HIS A 907 0.9546 1.5454 0.7626 0.0665 0.0743 -0.0576 +156 C ? CD2 A HIS A 26 CD2 A HIS A 907 0.934 1.7342 0.7776 0.0993 0.0612 -0.1243 +157 C ? CD2 B HIS A 26 CD2 B HIS A 907 0.943 1.6089 0.7796 0.0644 0.0707 -0.1032 +158 C ? CE1 A HIS A 26 CE1 A HIS A 907 0.9332 1.8266 0.7607 0.1379 0.0588 -0.1113 +159 C ? CE1 B HIS A 26 CE1 B HIS A 907 0.943 1.5116 0.7609 0.0507 0.0754 -0.0736 +160 N ? NE2 A HIS A 26 NE2 A HIS A 907 0.9281 1.8024 0.7786 0.1173 0.0556 -0.1422 +161 N ? NE2 B HIS A 26 NE2 B HIS A 907 0.9415 1.551 0.7783 0.0473 0.0742 -0.0993 +162 N ? N ? PHE A 27 N ? PHE A 908 0.9342 1.6659 0.7159 0.1421 0.076 -0.033 +163 C ? CA ? PHE A 27 CA ? PHE A 908 0.9319 1.6859 0.7131 0.1516 0.0753 -0.0446 +164 C ? C ? PHE A 27 C ? PHE A 908 0.9396 1.6501 0.7272 0.1324 0.0764 -0.0552 +165 O ? O ? PHE A 27 O ? PHE A 908 0.9484 1.6718 0.734 0.1405 0.0763 -0.0609 +166 C ? CB ? PHE A 27 CB ? PHE A 908 0.959 1.7956 0.748 0.1672 0.0721 -0.0698 +167 C ? CG ? PHE A 27 CG ? PHE A 908 0.9739 1.8375 0.7883 0.1509 0.07 -0.1102 +168 C ? CD1 ? PHE A 27 CD1 ? PHE A 908 1.0091 1.8872 0.8463 0.1346 0.0673 -0.1359 +169 C ? CD2 ? PHE A 27 CD2 ? PHE A 908 1.0077 1.8884 0.8271 0.1534 0.0706 -0.1237 +170 C ? CE1 ? PHE A 27 CE1 ? PHE A 908 1.0138 1.9138 0.8822 0.118 0.0663 -0.1725 +171 C ? CE2 ? PHE A 27 CE2 ? PHE A 908 1.035 1.9424 0.8842 0.1361 0.0706 -0.1597 +172 C ? CZ ? PHE A 27 CZ ? PHE A 908 1.0017 1.9167 0.8772 0.1177 0.0688 -0.1833 +173 N ? N ? GLY A 28 N ? GLY A 909 0.8431 1.5046 0.6361 0.1102 0.0776 -0.0553 +174 C ? CA ? GLY A 28 CA ? GLY A 909 0.8111 1.43 0.6071 0.0937 0.0799 -0.06 +175 C ? C ? GLY A 28 C ? GLY A 909 0.8096 1.3761 0.591 0.0992 0.0793 -0.0363 +176 O ? O ? GLY A 28 O ? GLY A 909 0.8064 1.3442 0.584 0.0983 0.0784 -0.0201 +177 N ? N ? LYS A 29 N ? LYS A 910 0.7297 1.2873 0.506 0.1055 0.0791 -0.0365 +178 C ? CA ? LYS A 29 CA ? LYS A 910 0.721 1.2344 0.4879 0.1143 0.0762 -0.0203 +179 C ? C ? LYS A 29 C ? LYS A 910 0.7129 1.1787 0.4803 0.0993 0.0763 -0.0218 +180 O ? O ? LYS A 29 O ? LYS A 910 0.6792 1.1482 0.4503 0.0858 0.08 -0.0351 +181 C ? CB ? LYS A 29 CB ? LYS A 910 0.7626 1.2954 0.5237 0.1325 0.0739 -0.0231 +182 C ? CG ? LYS A 29 CG ? LYS A 910 1.0081 1.4992 0.7639 0.1427 0.069 -0.0145 +183 C ? CD ? LYS A 29 CD ? LYS A 910 1.1827 1.6701 0.9344 0.1673 0.0643 0.0027 +184 C ? CE ? LYS A 29 CE ? LYS A 910 1.3543 1.8753 1.0997 0.1869 0.0614 -0.0061 +185 N 1 NZ ? LYS A 29 NZ ? LYS A 910 1.4433 1.9491 1.1878 0.1879 0.0575 -0.0192 +186 N ? N ? VAL A 30 N ? VAL A 911 0.6543 1.0781 0.42 0.1029 0.0725 -0.0078 +187 C ? CA ? VAL A 30 CA ? VAL A 911 0.6448 1.0267 0.4105 0.0941 0.0706 -0.0104 +188 C ? C ? VAL A 30 C ? VAL A 911 0.6977 1.0568 0.4623 0.1093 0.0643 -0.0087 +189 O ? O ? VAL A 30 O ? VAL A 911 0.7046 1.0537 0.4737 0.1225 0.0605 0.0035 +190 C ? CB ? VAL A 30 CB ? VAL A 911 0.6844 1.0392 0.4552 0.0839 0.07 -0.0029 +191 C ? CG1 ? VAL A 30 CG1 ? VAL A 911 0.6743 0.999 0.4431 0.0741 0.0689 -0.0118 +192 C ? CG2 ? VAL A 30 CG2 ? VAL A 911 0.6693 1.0526 0.443 0.0758 0.0738 -0.0028 +193 N ? N ? SER A 31 N ? SER A 912 0.6469 0.9981 0.4068 0.1088 0.0632 -0.0204 +194 C ? CA ? SER A 31 CA ? SER A 912 0.663 0.9973 0.4232 0.1251 0.0552 -0.0248 +195 C ? C ? SER A 31 C ? SER A 912 0.7033 1.0155 0.4613 0.1225 0.0524 -0.0347 +196 O ? O ? SER A 31 O ? SER A 912 0.6744 0.9926 0.4256 0.1099 0.0589 -0.0378 +197 C ? CB ? SER A 31 CB ? SER A 912 0.7164 1.0844 0.4703 0.1383 0.0551 -0.0321 +198 O ? OG ? SER A 31 OG ? SER A 912 0.8285 1.219 0.5833 0.1464 0.0559 -0.0241 +199 N ? N ? LEU A 32 N ? LEU A 913 0.6751 0.9629 0.4409 0.1363 0.0421 -0.0404 +200 C ? CA ? LEU A 32 CA ? LEU A 913 0.6755 0.949 0.4403 0.1409 0.0364 -0.0541 +201 C ? C ? LEU A 32 C ? LEU A 913 0.7458 1.0501 0.4968 0.1529 0.0372 -0.0651 +202 O ? O ? LEU A 32 O ? LEU A 913 0.744 1.0628 0.4962 0.1684 0.0322 -0.0699 +203 C ? CB ? LEU A 32 CB ? LEU A 913 0.6894 0.9297 0.4754 0.1522 0.0237 -0.0604 +204 C ? CG ? LEU A 32 CG ? LEU A 913 0.7444 0.9754 0.5345 0.1635 0.0137 -0.0816 +205 C ? CD1 ? LEU A 32 CD1 ? LEU A 913 0.7262 0.9549 0.506 0.1514 0.0187 -0.0831 +206 C ? CD2 ? LEU A 32 CD2 ? LEU A 913 0.7759 0.9739 0.5969 0.1721 0.0008 -0.0902 +207 N ? N ? TYR A 33 N ? TYR A 914 0.7152 1.0312 0.453 0.1466 0.0443 -0.0672 +208 C ? CA ? TYR A 33 CA ? TYR A 914 0.7173 1.067 0.4415 0.1558 0.0488 -0.0729 +209 C ? C ? TYR A 33 C ? TYR A 914 0.7589 1.1053 0.4746 0.1666 0.0451 -0.0819 +210 O ? O ? TYR A 33 O ? TYR A 914 0.7363 1.0563 0.4544 0.1606 0.0428 -0.0819 +211 C ? CB ? TYR A 33 CB ? TYR A 914 0.7344 1.1076 0.4525 0.137 0.0653 -0.0614 +212 C ? CG ? TYR A 33 CG ? TYR A 914 0.7756 1.1753 0.4994 0.1326 0.0698 -0.059 +213 C ? CD1 ? TYR A 33 CD1 ? TYR A 914 0.8041 1.2451 0.5244 0.1349 0.0776 -0.0614 +214 C ? CD2 ? TYR A 33 CD2 ? TYR A 914 0.7852 1.1746 0.5184 0.1261 0.0675 -0.0541 +215 C ? CE1 ? TYR A 33 CE1 ? TYR A 914 0.8075 1.2783 0.535 0.1312 0.0814 -0.0626 +216 C ? CE2 ? TYR A 33 CE2 ? TYR A 914 0.7987 1.219 0.5359 0.1249 0.0712 -0.0538 +217 C ? CZ ? TYR A 33 CZ ? TYR A 914 0.9105 1.3713 0.6457 0.1274 0.0774 -0.0599 +218 O ? OH ? TYR A 33 OH ? TYR A 914 0.9362 1.4321 0.6772 0.1276 0.0801 -0.0632 +219 N ? N ? CYS A 34 N ? CYS A 915 0.7275 1.1069 0.4322 0.184 0.0451 -0.0897 +220 C ? CA ? CYS A 34 CA ? CYS A 915 0.7309 1.1206 0.4235 0.1995 0.0427 -0.0979 +221 C ? C ? CYS A 34 C ? CYS A 915 0.7738 1.195 0.4491 0.1933 0.0609 -0.082 +222 O ? O ? CYS A 34 O ? CYS A 915 0.7731 1.2269 0.4468 0.1922 0.0692 -0.0771 +223 C ? CB ? CYS A 34 CB ? CYS A 915 0.748 1.1553 0.444 0.2293 0.0267 -0.1214 +224 S ? SG ? CYS A 34 SG ? CYS A 915 0.8135 1.2511 0.4921 0.2557 0.0229 -0.1349 +225 N ? N ? TYR A 35 N ? TYR A 916 0.7145 1.1266 0.379 0.1895 0.0679 -0.073 +226 C ? CA ? TYR A 35 CA ? TYR A 916 0.7153 1.153 0.3658 0.1848 0.0867 -0.0537 +227 C ? C ? TYR A 35 C ? TYR A 916 0.7626 1.2308 0.3943 0.2141 0.0841 -0.0594 +228 O ? O ? TYR A 35 O ? TYR A 916 0.7623 1.2158 0.3869 0.226 0.076 -0.067 +229 C ? CB ? TYR A 35 CB ? TYR A 916 0.7281 1.1358 0.3799 0.161 0.0986 -0.0355 +230 C ? CG ? TYR A 35 CG ? TYR A 916 0.7534 1.181 0.3996 0.1511 0.1204 -0.0118 +231 C ? CD1 ? TYR A 35 CD1 ? TYR A 916 0.7705 1.2283 0.427 0.1399 0.1327 -0.0042 +232 C ? CD2 ? TYR A 35 CD2 ? TYR A 916 0.7745 1.1896 0.4086 0.152 0.1295 0.0041 +233 C ? CE1 ? TYR A 35 CE1 ? TYR A 916 0.7871 1.2615 0.4461 0.1276 0.1545 0.0189 +234 C ? CE2 ? TYR A 35 CE2 ? TYR A 916 0.7984 1.2265 0.4323 0.1415 0.1514 0.0301 +235 C ? CZ ? TYR A 35 CZ ? TYR A 916 0.8764 1.3337 0.5251 0.128 0.1644 0.0377 +236 O ? OH ? TYR A 35 OH ? TYR A 916 0.8749 1.3443 0.5304 0.1152 0.1875 0.0644 +237 N ? N ? ASP A 36 N ? ASP A 917 0.7176 1.2339 0.3419 0.2281 0.0895 -0.0586 +238 C ? CA ? ASP A 36 CA ? ASP A 917 0.7273 1.2868 0.3322 0.2601 0.0878 -0.0642 +239 C ? C ? ASP A 36 C ? ASP A 917 0.7848 1.3878 0.3764 0.2582 0.1122 -0.0359 +240 O ? O ? ASP A 36 O ? ASP A 917 0.7813 1.4333 0.3698 0.2714 0.115 -0.039 +241 C ? CB ? ASP A 36 CB ? ASP A 917 0.7485 1.3327 0.3587 0.2875 0.067 -0.0959 +242 C ? CG ? ASP A 36 CG ? ASP A 917 0.8568 1.4767 0.4526 0.3256 0.0551 -0.1155 +243 O ? OD1 ? ASP A 36 OD1 ? ASP A 917 0.8666 1.4896 0.4459 0.3328 0.0616 -0.1049 +244 O -1 OD2 ? ASP A 36 OD2 ? ASP A 917 0.9064 1.5514 0.5086 0.3503 0.0377 -0.1438 +245 N ? N ? PRO A 37 N ? PRO A 918 0.7585 1.3452 0.3441 0.2427 0.1307 -0.0074 +246 C ? CA ? PRO A 37 CA ? PRO A 918 0.7783 1.404 0.3566 0.2396 0.1564 0.0237 +247 C ? C ? PRO A 37 C ? PRO A 918 0.8522 1.5349 0.4042 0.2765 0.1597 0.0283 +248 O ? O ? PRO A 37 O ? PRO A 918 0.869 1.5941 0.4169 0.2761 0.1814 0.054 +249 C ? CB ? PRO A 37 CB ? PRO A 918 0.8091 1.3913 0.3934 0.2131 0.1725 0.0509 +250 C ? CG ? PRO A 37 CG ? PRO A 918 0.8582 1.396 0.4372 0.2188 0.1544 0.0343 +251 C ? CD ? PRO A 37 CD ? PRO A 918 0.777 1.3101 0.3646 0.2276 0.1297 -0.0011 +252 N ? N ? THR A 38 N ? THR A 919 0.8109 1.4998 0.3478 0.3088 0.139 0.0029 +253 C ? CA ? THR A 38 CA ? THR A 919 0.8294 1.5807 0.3404 0.3502 0.1385 0.0009 +254 C ? C ? THR A 38 C ? THR A 919 0.8836 1.6813 0.3966 0.3783 0.1184 -0.0355 +255 O ? O ? THR A 38 O ? THR A 919 0.9088 1.7698 0.402 0.4148 0.117 -0.0409 +256 C ? CB ? THR A 38 CB ? THR A 919 0.9128 1.6529 0.4042 0.3724 0.1318 -0.0012 +257 O ? OG1 ? THR A 38 OG1 ? THR A 919 0.8654 1.5649 0.3702 0.374 0.1049 -0.0387 +258 C ? CG2 ? THR A 38 CG2 ? THR A 919 0.9061 1.6137 0.3901 0.3526 0.155 0.0402 +259 N ? N ? ASN A 39 N ? ASN A 920 0.8162 1.5851 0.3531 0.3632 0.103 -0.0596 +260 C ? CA ? ASN A 39 CA ? ASN A 920 0.804 1.6033 0.3492 0.3863 0.0818 -0.0956 +261 C ? C ? ASN A 39 C ? ASN A 920 0.8531 1.6703 0.3935 0.4266 0.056 -0.1336 +262 O ? O ? ASN A 39 O ? ASN A 920 0.8649 1.7468 0.3944 0.4623 0.0487 -0.151 +263 C ? CB ? ASN A 39 CB ? ASN A 920 0.8081 1.6732 0.3479 0.3928 0.0955 -0.0851 +264 C ? CG ? ASN A 39 CG ? ASN A 920 1.1221 1.9708 0.6797 0.3554 0.1107 -0.067 +265 O ? OD1 ? ASN A 39 OD1 ? ASN A 920 1.034 1.8237 0.6099 0.3273 0.1066 -0.0683 +266 N ? ND2 ? ASN A 39 ND2 ? ASN A 920 1.032 1.9394 0.5862 0.3562 0.1281 -0.0515 +267 N ? N ? ASP A 40 N ? ASP A 921 0.792 1.5558 0.3433 0.4214 0.0417 -0.1488 +268 C ? CA ? ASP A 40 CA ? ASP A 921 0.7963 1.5711 0.3521 0.4556 0.0156 -0.1896 +269 C ? C ? ASP A 40 C ? ASP A 921 0.8487 1.5934 0.4387 0.4573 -0.011 -0.2291 +270 O ? O ? ASP A 40 O ? ASP A 921 0.8413 1.5929 0.4455 0.4842 -0.0349 -0.2688 +271 C ? CB ? ASP A 40 CB ? ASP A 921 0.8176 1.5629 0.3661 0.4541 0.0158 -0.1854 +272 C ? CG ? ASP A 40 CG ? ASP A 921 0.8997 1.5701 0.4617 0.4116 0.0235 -0.1656 +273 O ? OD1 ? ASP A 40 OD1 ? ASP A 921 0.9146 1.5716 0.4595 0.4005 0.0401 -0.1368 +274 O -1 OD2 ? ASP A 40 OD2 ? ASP A 921 0.9185 1.5452 0.5085 0.3918 0.0125 -0.179 +275 N ? N ? GLY A 41 N ? GLY A 922 0.8101 1.5224 0.4155 0.4296 -0.0065 -0.218 +276 C ? CA ? GLY A 41 CA ? GLY A 922 0.8099 1.4893 0.4472 0.4291 -0.0276 -0.2461 +277 C ? C ? GLY A 41 C ? GLY A 922 0.8679 1.4764 0.5323 0.4083 -0.0378 -0.2532 +278 O ? O ? GLY A 41 O ? GLY A 922 0.8753 1.4504 0.5687 0.4049 -0.0524 -0.2698 +279 N ? N ? THR A 42 N ? THR A 923 0.8161 1.402 0.4721 0.3954 -0.0297 -0.2396 +280 C ? CA ? THR A 42 CA ? THR A 923 0.8054 1.3296 0.4861 0.3746 -0.0372 -0.2444 +281 C ? C ? THR A 42 C ? THR A 923 0.8194 1.3066 0.4919 0.336 -0.0161 -0.2057 +282 O ? O ? THR A 42 O ? THR A 923 0.8093 1.2541 0.5023 0.3131 -0.0171 -0.1995 +283 C ? CB ? THR A 42 CB ? THR A 923 0.9597 1.4898 0.6432 0.3939 -0.0497 -0.2691 +284 O ? OG1 ? THR A 42 OG1 ? THR A 923 0.9999 1.5605 0.6468 0.3996 -0.033 -0.2467 +285 C ? CG2 ? THR A 42 CG2 ? THR A 923 0.9579 1.5225 0.6595 0.4322 -0.0748 -0.316 +286 N ? N ? GLY A 43 N ? GLY A 924 0.7619 1.2675 0.4059 0.3313 0.0026 -0.1801 +287 C ? CA ? GLY A 43 CA ? GLY A 924 0.7405 1.217 0.3771 0.2978 0.0226 -0.1458 +288 C ? C ? GLY A 43 C ? GLY A 924 0.7731 1.1975 0.4246 0.2781 0.0179 -0.1467 +289 O ? O ? GLY A 43 O ? GLY A 924 0.7668 1.1808 0.4309 0.291 0.0017 -0.1715 +290 N ? N ? GLU A 44 N ? GLU A 925 0.7233 1.1192 0.3763 0.2469 0.0318 -0.1217 +291 C ? CA ? GLU A 44 CA ? GLU A 925 0.7119 1.063 0.3785 0.2259 0.0296 -0.1193 +292 C ? C ? GLU A 44 C ? GLU A 925 0.7563 1.084 0.4395 0.2006 0.0335 -0.108 +293 O ? O ? GLU A 44 O ? GLU A 925 0.7404 1.0816 0.4172 0.1888 0.0467 -0.0908 +294 C ? CB ? GLU A 44 CB ? GLU A 925 0.7309 1.0739 0.3794 0.2184 0.0412 -0.1024 +295 C ? CG ? GLU A 44 CG ? GLU A 925 0.8466 1.2 0.4802 0.2038 0.0626 -0.0727 +296 C ? CD ? GLU A 44 CD ? GLU A 925 1.0157 1.3616 0.6317 0.2027 0.0735 -0.0559 +297 O ? OE1 ? GLU A 44 OE1 ? GLU A 925 0.9053 1.2679 0.5048 0.2279 0.069 -0.0629 +298 O -1 OE2 ? GLU A 44 OE2 ? GLU A 925 0.9393 1.2653 0.5587 0.1786 0.0863 -0.0362 +299 N ? N ? MET A 45 N ? MET A 926 0.7184 1.015 0.4251 0.1936 0.0224 -0.118 +300 C ? CA ? MET A 45 CA ? MET A 926 0.7102 0.9878 0.4321 0.1741 0.0253 -0.1064 +301 C ? C ? MET A 45 C ? MET A 926 0.7179 0.9807 0.4357 0.1492 0.0373 -0.0874 +302 O ? O ? MET A 45 O ? MET A 926 0.7015 0.9483 0.4179 0.1442 0.0366 -0.0885 +303 C ? CB ? MET A 45 CB ? MET A 926 0.7539 1.0062 0.5049 0.1776 0.0107 -0.1199 +304 C ? CG ? MET A 45 CG ? MET A 926 0.8269 1.0923 0.588 0.2013 -0.0021 -0.1394 +305 S ? SD ? MET A 45 SD ? MET A 926 0.8882 1.1796 0.6409 0.2064 0.0031 -0.1302 +306 C ? CE ? MET A 45 CE ? MET A 926 0.8674 1.1778 0.6298 0.2408 -0.0158 -0.1621 +307 N ? N ? VAL A 46 N ? VAL A 927 0.6555 0.9282 0.3719 0.1356 0.0475 -0.073 +308 C ? CA ? VAL A 46 CA ? VAL A 927 0.6385 0.9042 0.3551 0.1132 0.058 -0.0587 +309 C ? C ? VAL A 46 C ? VAL A 927 0.6874 0.9561 0.4168 0.1041 0.0586 -0.0529 +310 O ? O ? VAL A 46 O ? VAL A 927 0.6847 0.9656 0.418 0.1148 0.0546 -0.0561 +311 C ? CB ? VAL A 46 CB ? VAL A 927 0.6839 0.9664 0.3869 0.1058 0.0726 -0.0478 +312 C ? CG1 ? VAL A 46 CG1 ? VAL A 927 0.69 0.9691 0.3774 0.1167 0.0736 -0.0482 +313 C ? CG2 ? VAL A 46 CG2 ? VAL A 927 0.6828 0.9982 0.3838 0.1093 0.0796 -0.0449 +314 N ? N ? ALA A 47 N ? ALA A 928 0.6341 0.8953 0.3693 0.0872 0.063 -0.0452 +315 C ? CA ? ALA A 47 CA ? ALA A 928 0.616 0.888 0.3608 0.081 0.0645 -0.0388 +316 C ? C ? ALA A 47 C ? ALA A 928 0.6641 0.9632 0.407 0.0701 0.0751 -0.0363 +317 O ? O ? ALA A 47 O ? ALA A 928 0.6529 0.9491 0.3941 0.0583 0.0817 -0.0353 +318 C ? CB ? ALA A 47 CB ? ALA A 928 0.615 0.8706 0.3696 0.072 0.0621 -0.0338 +319 N ? N ? VAL A 48 N ? VAL A 929 0.6309 0.9565 0.3767 0.0748 0.0765 -0.0366 +320 C ? CA ? VAL A 48 CA ? VAL A 929 0.6244 0.9814 0.3748 0.0644 0.086 -0.0383 +321 C ? C ? VAL A 48 C ? VAL A 929 0.6709 1.0494 0.4309 0.0618 0.0852 -0.0385 +322 O ? O ? VAL A 48 O ? VAL A 929 0.6619 1.0498 0.4208 0.0753 0.0801 -0.0361 +323 C ? CB ? VAL A 48 CB ? VAL A 929 0.6804 1.0632 0.4265 0.0718 0.0906 -0.0418 +324 C ? CG1 ? VAL A 48 CG1 ? VAL A 929 0.6688 1.087 0.4272 0.0587 0.1009 -0.0454 +325 C ? CG2 ? VAL A 48 CG2 ? VAL A 929 0.6868 1.0569 0.4218 0.0759 0.0932 -0.0398 +326 N ? N ? LYS A 49 N ? LYS A 930 0.6282 1.0153 0.3978 0.0468 0.0896 -0.0419 +327 C ? CA ? LYS A 49 CA ? LYS A 930 0.6207 1.0377 0.4 0.0457 0.0888 -0.0458 +328 C ? C ? LYS A 49 C ? LYS A 930 0.6667 1.1232 0.4587 0.0395 0.0952 -0.0581 +329 O ? O ? LYS A 49 O ? LYS A 930 0.6575 1.1103 0.4587 0.0254 0.1024 -0.0626 +330 C ? CB ? LYS A 49 CB ? LYS A 930 0.6461 1.0533 0.4316 0.035 0.0875 -0.0471 +331 C ? CG ? LYS A 49 CG ? LYS A 930 0.8182 1.2568 0.6087 0.0411 0.0843 -0.0475 +332 C ? CD ? LYS A 49 CD ? LYS A 930 0.9384 1.3604 0.7279 0.0385 0.0808 -0.0414 +333 C ? CE ? LYS A 49 CE ? LYS A 930 1.0396 1.4939 0.8292 0.0502 0.0786 -0.0341 +334 N 1 NZ ? LYS A 49 NZ ? LYS A 930 1.064 1.5048 0.8528 0.0488 0.0766 -0.0241 +335 N ? N ? ALA A 50 N ? ALA A 931 0.6283 1.1232 0.4226 0.0507 0.0932 -0.0628 +336 C ? CA ? ALA A 50 CA ? ALA A 931 0.6299 1.1693 0.4397 0.046 0.0985 -0.0781 +337 C ? C ? ALA A 50 C ? ALA A 931 0.6814 1.2683 0.5039 0.0502 0.0957 -0.0914 +338 O ? O ? ALA A 50 O ? ALA A 931 0.678 1.2741 0.489 0.0669 0.0897 -0.0837 +339 C ? CB ? ALA A 50 CB ? ALA A 931 0.6477 1.1998 0.4481 0.0589 0.0991 -0.0765 +340 N ? N ? LEU A 51 N ? LEU A 932 0.641 1.2606 0.4897 0.0357 0.1007 -0.1118 +341 C ? CA ? LEU A 51 CA ? LEU A 932 1.0275 1.704 0.8967 0.0383 0.098 -0.1342 +342 C ? C ? LEU A 51 C ? LEU A 932 1.5634 2.2506 1.4269 0.0487 0.0903 -0.1336 +343 O ? O ? LEU A 51 O ? LEU A 932 1.1076 1.848 0.9858 0.0555 0.0865 -0.1534 +344 C ? CB ? LEU A 51 CB ? LEU A 932 1.0307 1.7557 0.8978 0.0547 0.0973 -0.142 +345 C ? CG ? LEU A 51 CG ? LEU A 932 1.0987 1.8314 0.9765 0.0449 0.1057 -0.1473 +346 C ? CD1 ? LEU A 51 CD1 ? LEU A 932 1.1096 1.8492 0.9625 0.0674 0.1027 -0.1368 +347 C ? CD2 ? LEU A 51 CD2 ? LEU A 932 1.1332 1.9202 1.0496 0.0318 0.11 -0.1768 +348 N 1 N ? TRP A 63 N ? TRP A 944 0.7623 1.4281 0.8205 -0.0576 0.092 -0.2493 +349 C ? CA ? TRP A 63 CA ? TRP A 944 0.7572 1.3767 0.7672 -0.0477 0.0917 -0.2156 +350 C ? C ? TRP A 63 C ? TRP A 944 0.8096 1.3633 0.8203 -0.063 0.0967 -0.201 +351 O ? O ? TRP A 63 O ? TRP A 944 0.7971 1.3119 0.7726 -0.056 0.0958 -0.1772 +352 C ? CB ? TRP A 63 CB ? TRP A 944 0.7389 1.3572 0.7151 -0.0366 0.0973 -0.1909 +353 C ? CG ? TRP A 63 CG ? TRP A 944 0.7467 1.3284 0.6789 -0.0233 0.0947 -0.1618 +354 C ? CD1 ? TRP A 63 CD1 ? TRP A 944 0.7789 1.351 0.6955 -0.0148 0.0869 -0.1568 +355 C ? CD2 ? TRP A 63 CD2 ? TRP A 944 0.7476 1.3021 0.6505 -0.0168 0.0996 -0.1365 +356 N ? NE1 ? TRP A 63 NE1 ? TRP A 944 0.7726 1.3091 0.6557 -0.0062 0.0874 -0.1297 +357 C ? CE2 ? TRP A 63 CE2 ? TRP A 944 0.7946 1.3197 0.669 -0.0062 0.0941 -0.1184 +358 C ? CE3 ? TRP A 63 CE3 ? TRP A 944 0.7666 1.3218 0.6671 -0.0184 0.1076 -0.1293 +359 C ? CZ2 ? TRP A 63 CZ2 ? TRP A 944 0.7894 1.284 0.6367 0.0027 0.0953 -0.0963 +360 C ? CZ3 ? TRP A 63 CZ3 ? TRP A 944 0.7879 1.3154 0.6572 -0.0073 0.1081 -0.1072 +361 C ? CH2 ? TRP A 63 CH2 ? TRP A 944 0.7946 1.2909 0.6395 0.003 0.1015 -0.0923 +362 N ? N ? LYS A 64 N ? LYS A 945 0.777 1.3197 0.8311 -0.0829 0.1017 -0.2165 +363 C ? CA ? LYS A 64 CA ? LYS A 945 0.7874 1.269 0.8462 -0.096 0.1074 -0.2022 +364 C ? C ? LYS A 64 C ? LYS A 945 0.8059 1.2642 0.8517 -0.0886 0.0959 -0.2052 +365 O ? O ? LYS A 64 O ? LYS A 945 0.8152 1.221 0.8455 -0.0914 0.0996 -0.1853 +366 C ? CB ? LYS A 64 CB ? LYS A 945 0.8417 1.3151 0.9549 -0.1195 0.1175 -0.2143 +367 C ? CG ? LYS A 64 CG ? LYS A 945 1.0548 1.5245 1.1679 -0.1288 0.1347 -0.1926 +368 C ? CD ? LYS A 64 CD ? LYS A 945 1.2165 1.6903 1.3915 -0.1537 0.1464 -0.2058 +369 C ? CE ? LYS A 64 CE ? LYS A 945 1.3007 1.7806 1.4742 -0.1616 0.1645 -0.183 +370 N 1 NZ ? LYS A 64 NZ ? LYS A 945 1.3969 1.8773 1.6349 -0.1887 0.1791 -0.1906 +371 N ? N ? GLN A 65 N ? GLN A 946 0.7226 1.2244 0.7718 -0.0765 0.0823 -0.2291 +372 C ? CA ? GLN A 65 CA ? GLN A 946 0.7027 1.1938 0.7395 -0.0676 0.0709 -0.2338 +373 C ? C ? GLN A 65 C ? GLN A 946 0.696 1.1602 0.6811 -0.0551 0.0709 -0.2024 +374 O ? O ? GLN A 65 O ? GLN A 946 0.6938 1.1162 0.6673 -0.0561 0.0691 -0.1933 +375 C ? CB ? GLN A 65 CB ? GLN A 946 0.7105 1.2635 0.7691 -0.057 0.0568 -0.2696 +376 C ? CG ? GLN A 65 CG ? GLN A 946 0.8593 1.4736 0.8968 -0.0379 0.0533 -0.2695 +377 C ? CD ? GLN A 65 CD ? GLN A 946 0.9728 1.6259 0.9972 -0.019 0.0409 -0.2794 +378 O ? OE1 ? GLN A 65 OE1 ? GLN A 946 0.847 1.5195 0.8983 -0.018 0.0304 -0.3095 +379 N ? NE2 ? GLN A 65 NE2 ? GLN A 946 0.8587 1.5269 0.8441 -0.0027 0.0421 -0.2543 +380 N ? N ? GLU A 66 N ? GLU A 947 0.6062 1.0926 0.5637 -0.0433 0.0729 -0.1867 +381 C ? CA ? GLU A 66 CA ? GLU A 947 0.5852 1.0468 0.5016 -0.0327 0.073 -0.1588 +382 C ? C ? GLU A 66 C ? GLU A 947 0.6571 1.0598 0.5596 -0.0404 0.0808 -0.1381 +383 O ? O ? GLU A 66 O ? GLU A 947 0.6634 1.0346 0.5458 -0.0364 0.0779 -0.1268 +384 C ? CB ? GLU A 66 CB ? GLU A 947 0.5847 1.0768 0.4821 -0.0195 0.0746 -0.1464 +385 C ? CG ? GLU A 66 CG ? GLU A 947 0.6248 1.0878 0.4885 -0.0102 0.0749 -0.1192 +386 C ? CD ? GLU A 66 CD ? GLU A 947 0.6646 1.1465 0.511 0.0037 0.0761 -0.1037 +387 O ? OE1 ? GLU A 66 OE1 ? GLU A 947 0.5438 0.997 0.37 0.0095 0.0762 -0.0835 +388 O -1 OE2 ? GLU A 66 OE2 ? GLU A 947 0.5626 1.0884 0.4176 0.01 0.0763 -0.1129 +389 N ? N ? ILE A 67 N ? ILE A 948 0.6132 1.0065 0.5276 -0.0503 0.091 -0.1339 +390 C ? CA ? ILE A 67 CA ? ILE A 948 0.6225 0.9696 0.5245 -0.055 0.1001 -0.1133 +391 C ? C ? ILE A 67 C ? ILE A 948 0.678 0.9875 0.5905 -0.0621 0.0994 -0.1157 +392 O ? O ? ILE A 67 O ? ILE A 948 0.6867 0.9615 0.5738 -0.0555 0.0987 -0.1004 +393 C ? CB ? ILE A 67 CB ? ILE A 948 0.6738 1.0298 0.5857 -0.0621 0.1126 -0.1061 +394 C ? CG1 ? ILE A 67 CG1 ? ILE A 948 0.6697 1.0498 0.5576 -0.0487 0.1116 -0.0977 +395 C ? CG2 ? ILE A 67 CG2 ? ILE A 948 0.6974 1.0116 0.6036 -0.0677 0.1242 -0.0853 +396 C ? CD1 ? ILE A 67 CD1 ? ILE A 948 0.751 1.1703 0.6565 -0.0524 0.118 -0.1052 +397 N ? N ? ASP A 68 N ? ASP A 949 0.6315 0.9499 0.5828 -0.0734 0.0977 -0.1375 +398 C ? CA ? ASP A 68 CA ? ASP A 949 0.6502 0.9315 0.6163 -0.079 0.0956 -0.142 +399 C ? C ? ASP A 68 C ? ASP A 949 0.6749 0.948 0.6177 -0.0664 0.0827 -0.1457 +400 O ? O ? ASP A 68 O ? ASP A 949 0.6794 0.912 0.6148 -0.0648 0.0822 -0.1383 +401 C ? CB ? ASP A 68 CB ? ASP A 949 0.688 0.9821 0.708 -0.0935 0.0946 -0.1693 +402 C ? CG ? ASP A 68 CG ? ASP A 949 0.8643 1.1497 0.9159 -0.1107 0.1105 -0.1619 +403 O ? OD1 ? ASP A 68 OD1 ? ASP A 949 0.8981 1.1448 0.9341 -0.1129 0.1234 -0.132 +404 O -1 OD2 ? ASP A 68 OD2 ? ASP A 949 0.937 1.2573 1.0317 -0.1215 0.1103 -0.1869 +405 N ? N ? ILE A 69 N ? ILE A 950 0.5929 0.9063 0.5239 -0.0562 0.0734 -0.1552 +406 C ? CA ? ILE A 69 CA ? ILE A 950 0.5722 0.8871 0.4824 -0.0448 0.0628 -0.1568 +407 C ? C ? ILE A 69 C ? ILE A 950 0.617 0.8968 0.4906 -0.038 0.0665 -0.1306 +408 O ? O ? ILE A 69 O ? ILE A 950 0.6057 0.8547 0.4691 -0.0347 0.0631 -0.1281 +409 C ? CB ? ILE A 69 CB ? ILE A 950 0.5807 0.9533 0.4907 -0.0353 0.0547 -0.1695 +410 C ? CG1 ? ILE A 69 CG1 ? ILE A 950 0.5785 0.9888 0.5254 -0.0372 0.0462 -0.2036 +411 C ? CG2 ? ILE A 69 CG2 ? ILE A 950 0.572 0.9456 0.4546 -0.024 0.0487 -0.1594 +412 C ? CD1 ? ILE A 69 CD1 ? ILE A 950 0.5726 1.0531 0.5238 -0.0256 0.0402 -0.2181 +413 N ? N ? LEU A 70 N ? LEU A 951 0.5785 0.8643 0.4347 -0.0345 0.0723 -0.1141 +414 C ? CA ? LEU A 70 CA ? LEU A 951 0.5916 0.8503 0.4182 -0.0267 0.0744 -0.0942 +415 C ? C ? LEU A 70 C ? LEU A 951 0.6682 0.8848 0.4872 -0.0276 0.0807 -0.0833 +416 O ? O ? LEU A 70 O ? LEU A 951 0.6785 0.8725 0.4758 -0.0186 0.0781 -0.0751 +417 C ? CB ? LEU A 70 CB ? LEU A 951 0.5873 0.8627 0.4032 -0.0218 0.0782 -0.0828 +418 C ? CG ? LEU A 70 CG ? LEU A 951 0.6579 0.9154 0.4499 -0.0115 0.0759 -0.0692 +419 C ? CD1 ? LEU A 70 CD1 ? LEU A 951 0.6517 0.9243 0.4416 -0.0067 0.0683 -0.0707 +420 C ? CD2 ? LEU A 70 CD2 ? LEU A 951 0.6981 0.9612 0.4826 -0.0065 0.0806 -0.0591 +421 N ? N ? ARG A 71 N ? ARG A 952 0.6264 0.8352 0.4658 -0.0378 0.0891 -0.0834 +422 C ? CA ? ARG A 71 CA ? ARG A 952 0.6525 0.8243 0.4892 -0.039 0.0982 -0.0689 +423 C ? C ? ARG A 71 C ? ARG A 952 0.7073 0.8493 0.538 -0.0333 0.0915 -0.0721 +424 O ? O ? ARG A 71 O ? ARG A 952 0.7249 0.8386 0.5341 -0.0236 0.095 -0.0566 +425 C ? CB ? ARG A 71 CB ? ARG A 952 0.6896 0.8632 0.5617 -0.0548 0.1085 -0.0713 +426 C ? CG ? ARG A 71 CG ? ARG A 952 0.865 1.0404 0.7342 -0.0577 0.1235 -0.0516 +427 C ? CD ? ARG A 71 CD ? ARG A 952 1.0849 1.2591 0.9957 -0.076 0.1354 -0.0528 +428 N ? NE ? ARG A 71 NE ? ARG A 952 1.2807 1.4113 1.1995 -0.0784 0.1429 -0.0383 +429 C ? CZ ? ARG A 71 CZ ? ARG A 952 1.4969 1.6069 1.4439 -0.0854 0.1374 -0.0526 +430 N ? NH1 ? ARG A 71 NH1 ? ARG A 952 1.3192 1.4539 1.289 -0.0901 0.1239 -0.0844 +431 N 1 NH2 ? ARG A 71 NH2 ? ARG A 952 1.3768 1.4436 1.3295 -0.0853 0.1452 -0.0354 +432 N ? N ? THR A 72 N ? THR A 953 0.6371 0.7901 0.4869 -0.0368 0.0812 -0.0939 +433 C ? CA ? THR A 72 CA ? THR A 953 0.6361 0.7663 0.4843 -0.0308 0.0726 -0.1023 +434 C ? C ? THR A 72 C ? THR A 953 0.6498 0.7876 0.4699 -0.0179 0.0623 -0.1045 +435 O ? O ? THR A 72 O ? THR A 953 0.6525 0.7765 0.4681 -0.0108 0.0542 -0.1126 +436 C ? CB ? THR A 72 CB ? THR A 953 0.7017 0.8458 0.5869 -0.0389 0.0649 -0.1289 +437 O ? OG1 ? THR A 72 OG1 ? THR A 953 0.6432 0.8363 0.5324 -0.0381 0.0566 -0.1457 +438 C ? CG2 ? THR A 72 CG2 ? THR A 953 0.6902 0.8232 0.6132 -0.0539 0.0745 -0.1305 +439 N ? N ? LEU A 73 N ? LEU A 954 0.5721 0.7319 0.3768 -0.0148 0.0626 -0.098 +440 C ? CA ? LEU A 73 CA ? LEU A 954 0.5473 0.716 0.3339 -0.0057 0.0543 -0.0997 +441 C ? C ? LEU A 73 C ? LEU A 954 0.6286 0.7765 0.39 0.0045 0.0567 -0.0858 +442 O ? O ? LEU A 73 O ? LEU A 954 0.6377 0.7864 0.3927 0.0052 0.0634 -0.0741 +443 C ? CB ? LEU A 73 CB ? LEU A 954 0.5132 0.7221 0.3055 -0.0081 0.0518 -0.1031 +444 C ? CG ? LEU A 73 CG ? LEU A 954 0.5408 0.786 0.356 -0.0132 0.0474 -0.1202 +445 C ? CD1 ? LEU A 73 CD1 ? LEU A 954 0.51 0.7937 0.3262 -0.0122 0.0487 -0.1156 +446 C ? CD2 ? LEU A 73 CD2 ? LEU A 954 0.5615 0.8152 0.3808 -0.0089 0.037 -0.1367 +447 N ? N A TYR A 74 N A TYR A 955 0.5947 0.729 0.3427 0.0144 0.0499 -0.0899 +448 N ? N B TYR A 74 N B TYR A 955 0.59 0.7238 0.3383 0.0144 0.0499 -0.0901 +449 C ? CA A TYR A 74 CA A TYR A 955 0.5978 0.7197 0.3244 0.027 0.0493 -0.0832 +450 C ? CA B TYR A 74 CA B TYR A 955 0.5922 0.7124 0.3184 0.0275 0.049 -0.0837 +451 C ? C A TYR A 74 C A TYR A 955 0.6178 0.7504 0.3416 0.0321 0.0389 -0.0955 +452 C ? C B TYR A 74 C B TYR A 955 0.6122 0.7459 0.337 0.0316 0.0386 -0.0962 +453 O ? O A TYR A 74 O A TYR A 955 0.6218 0.7489 0.344 0.0366 0.0326 -0.1055 +454 O ? O B TYR A 74 O B TYR A 955 0.612 0.7425 0.3364 0.0353 0.032 -0.1069 +455 C ? CB A TYR A 74 CB A TYR A 955 0.645 0.7376 0.3561 0.0377 0.0548 -0.0726 +456 C ? CB B TYR A 74 CB B TYR A 955 0.6365 0.7263 0.3479 0.0388 0.0524 -0.0762 +457 C ? CG A TYR A 74 CG A TYR A 955 0.6846 0.7737 0.3732 0.0544 0.054 -0.0679 +458 C ? CG B TYR A 74 CG B TYR A 955 0.6763 0.7504 0.3961 0.0323 0.0641 -0.0626 +459 C ? CD1 A TYR A 74 CD1 A TYR A 955 0.7256 0.8046 0.3977 0.0708 0.0475 -0.0737 +460 C ? CD1 B TYR A 74 CD1 B TYR A 955 0.7104 0.783 0.4213 0.0352 0.0748 -0.0455 +461 C ? CD2 A TYR A 74 CD2 A TYR A 955 0.6908 0.7903 0.3758 0.0562 0.0584 -0.0607 +462 C ? CD2 B TYR A 74 CD2 B TYR A 955 0.6972 0.7585 0.4366 0.024 0.0647 -0.0675 +463 C ? CE1 A TYR A 74 CE1 A TYR A 955 0.7466 0.8291 0.4002 0.0889 0.0452 -0.074 +464 C ? CE1 B TYR A 74 CE1 B TYR A 955 0.7377 0.7988 0.4598 0.0276 0.0878 -0.0309 +465 C ? CE2 A TYR A 74 CE2 A TYR A 955 0.7122 0.8135 0.3799 0.0739 0.0557 -0.0615 +466 C ? CE2 B TYR A 74 CE2 B TYR A 955 0.7272 0.7725 0.4821 0.0156 0.0767 -0.0548 +467 C ? CZ A TYR A 74 CZ A TYR A 955 0.8283 0.9226 0.4809 0.0904 0.049 -0.0689 +468 C ? CZ B TYR A 74 CZ B TYR A 955 0.8094 0.8552 0.5555 0.0165 0.0893 -0.0349 +469 O ? OH A TYR A 74 OH A TYR A 955 0.8717 0.9744 0.5094 0.1103 0.0448 -0.0743 +470 O ? OH B TYR A 74 OH B TYR A 955 0.8199 0.8529 0.5846 0.0065 0.1032 -0.0204 +471 N ? N ? HIS A 75 N ? HIS A 956 0.5349 0.6848 0.2626 0.0303 0.0373 -0.095 +472 C ? CA ? HIS A 75 CA ? HIS A 956 0.5094 0.6741 0.2421 0.0315 0.0298 -0.1042 +473 C ? C ? HIS A 75 C ? HIS A 956 0.5468 0.7147 0.284 0.0325 0.0305 -0.0997 +474 O ? O ? HIS A 75 O ? HIS A 956 0.5355 0.7051 0.2762 0.0289 0.036 -0.0896 +475 C ? CB ? HIS A 75 CB ? HIS A 956 0.4975 0.6911 0.246 0.0218 0.0279 -0.1088 +476 C ? CG ? HIS A 75 CG ? HIS A 956 0.5293 0.7417 0.2844 0.0224 0.0219 -0.1167 +477 N ? ND1 ? HIS A 75 ND1 ? HIS A 956 0.5379 0.7669 0.3063 0.017 0.0241 -0.1093 +478 C ? CD2 ? HIS A 75 CD2 ? HIS A 956 0.5495 0.7664 0.3016 0.0277 0.0145 -0.1307 +479 C ? CE1 ? HIS A 75 CE1 ? HIS A 956 0.5241 0.769 0.2992 0.0173 0.0192 -0.1183 +480 N ? NE2 ? HIS A 75 NE2 ? HIS A 956 0.5348 0.7753 0.2992 0.0243 0.0127 -0.1326 +481 N ? N ? GLU A 76 N ? GLU A 957 0.4976 0.6676 0.2381 0.0377 0.0242 -0.1093 +482 C ? CA ? GLU A 76 CA ? GLU A 957 0.4812 0.6523 0.2342 0.0388 0.0228 -0.1101 +483 C ? C ? GLU A 76 C ? GLU A 957 0.5087 0.6948 0.2835 0.0262 0.027 -0.0987 +484 O ? O ? GLU A 76 O ? GLU A 957 0.4987 0.68 0.2867 0.0265 0.0271 -0.0959 +485 C ? CB ? GLU A 76 CB ? GLU A 957 0.5 0.6732 0.2579 0.0464 0.0144 -0.1275 +486 C ? CG ? GLU A 76 CG ? GLU A 957 0.6026 0.7959 0.3755 0.0375 0.0118 -0.1334 +487 C ? CD ? GLU A 76 CD ? GLU A 957 0.8576 1.0586 0.6429 0.0424 0.0041 -0.1522 +488 O ? OE1 ? GLU A 76 OE1 ? GLU A 957 0.87 1.0834 0.6516 0.0446 -0.0004 -0.1631 +489 O -1 OE2 ? GLU A 76 OE2 ? GLU A 957 0.7279 0.9249 0.5297 0.0444 0.0019 -0.1585 +490 N ? N ? HIS A 77 N ? HIS A 958 0.4541 0.6601 0.2336 0.0174 0.03 -0.0927 +491 C ? CA ? HIS A 77 CA ? HIS A 958 0.4462 0.6727 0.2429 0.0089 0.0353 -0.0783 +492 C ? C ? HIS A 77 C ? HIS A 958 0.4981 0.7367 0.2891 0.0068 0.0408 -0.0683 +493 O ? O ? HIS A 77 O ? HIS A 958 0.498 0.7628 0.2987 0.0031 0.0449 -0.0573 +494 C ? CB ? HIS A 77 CB ? HIS A 958 0.4485 0.7003 0.2609 0.003 0.0346 -0.0786 +495 C ? CG ? HIS A 77 CG ? HIS A 958 0.5012 0.7441 0.3291 0.0026 0.0307 -0.0872 +496 N ? ND1 ? HIS A 77 ND1 ? HIS A 958 0.5329 0.7591 0.3781 0.0019 0.0316 -0.0831 +497 C ? CD2 ? HIS A 77 CD2 ? HIS A 958 0.5224 0.7729 0.3535 0.0037 0.025 -0.1029 +498 C ? CE1 ? HIS A 77 CE1 ? HIS A 958 0.5267 0.7513 0.3878 0.0017 0.0263 -0.0978 +499 N ? NE2 ? HIS A 77 NE2 ? HIS A 958 0.5264 0.7668 0.3787 0.0027 0.0226 -0.1095 +500 N ? N ? ILE A 78 N ? ILE A 959 0.4475 0.67 0.2243 0.0103 0.0416 -0.0715 +501 C ? CA ? ILE A 78 CA ? ILE A 959 0.4389 0.672 0.2137 0.008 0.0467 -0.0661 +502 C ? C ? ILE A 78 C ? ILE A 959 0.5243 0.7378 0.2916 0.0125 0.0497 -0.0613 +503 O ? O ? ILE A 78 O ? ILE A 959 0.5132 0.7048 0.2695 0.0185 0.0481 -0.0662 +504 C ? CB ? ILE A 78 CB ? ILE A 959 0.4732 0.712 0.2452 0.0056 0.0455 -0.077 +505 C ? CG1 ? ILE A 78 CG1 ? ILE A 959 0.454 0.7263 0.2357 0.0034 0.0419 -0.0831 +506 C ? CG2 ? ILE A 78 CG2 ? ILE A 959 0.4821 0.7247 0.2558 0.0025 0.051 -0.0755 +507 C ? CD1 ? ILE A 78 CD1 ? ILE A 959 0.3999 0.6766 0.1832 0.0031 0.0372 -0.0994 +508 N ? N ? ILE A 79 N ? ILE A 960 0.5003 0.726 0.2723 0.0122 0.054 -0.0517 +509 C ? CA ? ILE A 79 CA ? ILE A 960 0.507 0.7215 0.2727 0.0176 0.0567 -0.0481 +510 C ? C ? ILE A 79 C ? ILE A 960 0.5614 0.765 0.3156 0.0178 0.0599 -0.0525 +511 O ? O ? ILE A 79 O ? ILE A 960 0.5435 0.7547 0.3006 0.011 0.0625 -0.0559 +512 C ? CB ? ILE A 79 CB ? ILE A 960 0.5463 0.7798 0.3185 0.0186 0.0603 -0.0384 +513 C ? CG1 ? ILE A 79 CG1 ? ILE A 960 0.5549 0.7763 0.3233 0.0274 0.0601 -0.0361 +514 C ? CG2 ? ILE A 79 CG2 ? ILE A 960 0.5601 0.8203 0.3342 0.0136 0.0646 -0.0403 +515 C ? CD1 ? ILE A 79 CD1 ? ILE A 960 0.5778 0.7833 0.3567 0.0334 0.0546 -0.0345 +516 N ? N ? LYS A 80 N ? LYS A 961 0.5559 0.7423 0.2992 0.0268 0.0593 -0.0531 +517 C ? CA ? LYS A 80 CA ? LYS A 961 0.5784 0.7535 0.3088 0.03 0.0641 -0.052 +518 C ? C ? LYS A 80 C ? LYS A 961 0.6732 0.8588 0.4045 0.0266 0.0731 -0.0447 +519 O ? O ? LYS A 80 O ? LYS A 961 0.6832 0.8785 0.4135 0.0321 0.074 -0.0419 +520 C ? CB ? LYS A 80 CB ? LYS A 961 0.6134 0.7748 0.3302 0.0451 0.0598 -0.0557 +521 C ? CG ? LYS A 80 CG ? LYS A 961 0.803 0.9555 0.5027 0.0536 0.0659 -0.0498 +522 C ? CD ? LYS A 80 CD ? LYS A 961 0.9303 1.086 0.6163 0.073 0.0633 -0.0522 +523 C ? CE ? LYS A 80 CE ? LYS A 961 0.941 1.0933 0.6274 0.0846 0.0512 -0.0679 +524 N 1 NZ ? LYS A 80 NZ ? LYS A 961 1.0192 1.1605 0.6959 0.0888 0.0487 -0.0719 +525 N ? N ? TYR A 81 N ? TYR A 962 0.6408 0.8245 0.3769 0.0176 0.0796 -0.0432 +526 C ? CA ? TYR A 81 CA ? TYR A 962 0.6487 0.8421 0.3914 0.0113 0.09 -0.0369 +527 C ? C ? TYR A 81 C ? TYR A 962 0.7327 0.916 0.4583 0.0227 0.0961 -0.0263 +528 O ? O ? TYR A 81 O ? TYR A 962 0.7408 0.9047 0.4539 0.0303 0.0956 -0.0231 +529 C ? CB ? TYR A 81 CB ? TYR A 962 0.6689 0.8583 0.429 -0.0023 0.0942 -0.0407 +530 C ? CG ? TYR A 81 CG ? TYR A 962 0.7158 0.9113 0.4899 -0.0116 0.1067 -0.0342 +531 C ? CD1 ? TYR A 81 CD1 ? TYR A 962 0.7329 0.9576 0.5272 -0.0214 0.1094 -0.0414 +532 C ? CD2 ? TYR A 81 CD2 ? TYR A 962 0.7542 0.9287 0.5238 -0.0105 0.1166 -0.0203 +533 C ? CE1 ? TYR A 81 CE1 ? TYR A 962 0.7554 0.9889 0.5686 -0.0321 0.1215 -0.0375 +534 C ? CE2 ? TYR A 81 CE2 ? TYR A 962 0.7803 0.9612 0.5681 -0.0214 0.1304 -0.0116 +535 C ? CZ ? TYR A 81 CZ ? TYR A 962 0.8715 1.0819 0.683 -0.0336 0.1327 -0.0217 +536 O ? OH ? TYR A 81 OH ? TYR A 962 0.9054 1.1252 0.7407 -0.0465 0.1468 -0.0153 +537 N ? N ? LYS A 82 N ? LYS A 963 0.7047 0.9055 0.4281 0.0265 0.1015 -0.021 +538 C ? CA ? LYS A 82 CA ? LYS A 963 0.7206 0.9225 0.4272 0.0399 0.108 -0.0104 +539 C ? C ? LYS A 82 C ? LYS A 963 0.8329 1.0436 0.5491 0.0299 0.1241 0.0032 +540 O ? O ? LYS A 82 O ? LYS A 963 0.8602 1.0635 0.5658 0.0365 0.1336 0.0181 +541 C ? CB ? LYS A 82 CB ? LYS A 963 0.7261 0.9444 0.4233 0.0555 0.1014 -0.016 +542 C ? CG ? LYS A 82 CG ? LYS A 963 0.7858 0.9917 0.4782 0.0663 0.0869 -0.0284 +543 C ? CD ? LYS A 82 CD ? LYS A 963 0.9333 1.1507 0.6169 0.0867 0.08 -0.0357 +544 C ? CE ? LYS A 82 CE ? LYS A 963 1.0438 1.2634 0.7072 0.1054 0.0815 -0.0337 +545 N 1 NZ ? LYS A 82 NZ ? LYS A 963 1.1735 1.4144 0.8297 0.1272 0.0753 -0.0432 +546 N ? N ? GLY A 83 N ? GLY A 964 0.8098 1.0379 0.5478 0.0145 0.1276 -0.0017 +547 C ? CA ? GLY A 83 CA ? GLY A 964 0.833 1.0738 0.5904 0.0006 0.1426 0.0069 +548 C ? C ? GLY A 83 C ? GLY A 964 0.8953 1.1681 0.6719 -0.0087 0.1423 -0.0047 +549 O ? O ? GLY A 83 O ? GLY A 964 0.8665 1.147 0.6436 -0.0066 0.1307 -0.0179 +550 N ? N ? CYS A 84 N ? CYS A 965 0.8932 1.1876 0.6867 -0.0184 0.1559 0.0014 +551 C ? CA ? CYS A 84 CA ? CYS A 965 0.8935 1.2253 0.7062 -0.0257 0.1566 -0.011 +552 C ? C ? CYS A 84 C ? CYS A 965 0.9413 1.3027 0.7605 -0.0276 0.1711 -0.0011 +553 O ? O ? CYS A 84 O ? CYS A 965 0.9519 1.3046 0.7705 -0.0298 0.185 0.018 +554 C ? CB ? CYS A 84 CB ? CYS A 965 0.9011 1.2384 0.7467 -0.0437 0.1545 -0.0277 +555 S ? SG ? CYS A 84 SG ? CYS A 965 0.9823 1.3034 0.8661 -0.0671 0.1702 -0.022 +556 N ? N ? CYS A 85 N ? CYS A 966 0.8777 1.2768 0.7018 -0.0246 0.1683 -0.0128 +557 C ? CA ? CYS A 85 CA ? CYS A 966 0.8783 1.3155 0.7087 -0.0246 0.1799 -0.008 +558 C ? C ? CYS A 85 C ? CYS A 966 0.8992 1.374 0.7639 -0.0398 0.1828 -0.0257 +559 O ? O ? CYS A 85 O ? CYS A 966 0.8771 1.3564 0.7497 -0.0408 0.1712 -0.0437 +560 C ? CB ? CYS A 85 CB ? CYS A 966 0.8796 1.3315 0.6784 0.0008 0.1713 -0.0079 +561 S ? SG ? CYS A 85 SG ? CYS A 966 0.9059 1.3555 0.6927 0.0154 0.1495 -0.0264 +562 N ? N ? GLU A 86 N ? GLU A 967 0.8515 1.359 0.7371 -0.05 0.1985 -0.0209 +563 C ? CA ? GLU A 86 CA ? GLU A 967 1.0036 1.5542 0.9264 -0.0647 0.2025 -0.0402 +564 C ? C ? GLU A 86 C ? GLU A 967 1.4191 2.0104 1.3265 -0.0462 0.1911 -0.056 +565 O ? O ? GLU A 86 O ? GLU A 967 0.997 1.5915 0.8717 -0.0251 0.1865 -0.0479 +566 C ? CB ? GLU A 86 CB ? GLU A 967 1.0381 1.6096 0.9938 -0.0843 0.2251 -0.0282 +567 C ? CG ? GLU A 86 CG ? GLU A 967 1.1686 1.7035 1.1572 -0.1078 0.2367 -0.0182 +568 C ? CD ? GLU A 86 CD ? GLU A 967 1.4284 1.9828 1.4598 -0.1308 0.2609 -0.0051 +569 O ? OE1 ? GLU A 86 OE1 ? GLU A 967 1.3634 1.8983 1.3853 -0.1307 0.2768 0.0274 +570 O -1 OE2 ? GLU A 86 OE2 ? GLU A 967 1.3512 1.943 1.4274 -0.1483 0.2646 -0.0271 +571 N 1 N ? LEU A 93 N ? LEU A 974 0.8515 1.4559 0.811 -0.0592 0.1577 -0.121 +572 C ? CA ? LEU A 93 CA ? LEU A 974 0.8524 1.3994 0.7891 -0.0583 0.1566 -0.101 +573 C ? C ? LEU A 93 C ? LEU A 974 0.8679 1.3988 0.7655 -0.0358 0.1422 -0.0949 +574 O ? O ? LEU A 93 O ? LEU A 974 0.8566 1.4106 0.7538 -0.0267 0.1319 -0.108 +575 C ? CB ? LEU A 93 CB ? LEU A 974 0.8571 1.3815 0.824 -0.0767 0.1574 -0.1097 +576 C ? CG ? LEU A 93 CG ? LEU A 974 0.9263 1.3928 0.8766 -0.0787 0.1589 -0.09 +577 C ? CD1 ? LEU A 93 CD1 ? LEU A 974 0.9526 1.4 0.9069 -0.0881 0.1762 -0.0673 +578 C ? CD2 ? LEU A 93 CD2 ? LEU A 974 0.9596 1.4101 0.9364 -0.0904 0.1537 -0.1051 +579 N ? N ? GLN A 94 N ? GLN A 975 0.7977 1.2921 0.665 -0.0261 0.1419 -0.0749 +580 C ? CA ? GLN A 94 CA ? GLN A 975 0.7758 1.2494 0.6122 -0.0071 0.1295 -0.0683 +581 C ? C ? GLN A 94 C ? GLN A 975 0.7958 1.2214 0.6197 -0.0092 0.1276 -0.0573 +582 O ? O ? GLN A 94 O ? GLN A 975 0.8113 1.217 0.6326 -0.0144 0.1361 -0.0463 +583 C ? CB ? GLN A 94 CB ? GLN A 975 0.7992 1.2812 0.6135 0.0114 0.1275 -0.0612 +584 C ? CG ? GLN A 94 CG ? GLN A 975 0.9997 1.5294 0.8204 0.0195 0.1265 -0.0723 +585 C ? CD ? GLN A 94 CD ? GLN A 975 1.1731 1.7081 0.9727 0.0394 0.1232 -0.067 +586 O ? OE1 ? GLN A 94 OE1 ? GLN A 975 1.1098 1.6507 0.9062 0.0391 0.1312 -0.0614 +587 N ? NE2 ? GLN A 94 NE2 ? GLN A 975 1.0308 1.5659 0.817 0.0587 0.1115 -0.0681 +588 N ? N ? LEU A 95 N ? LEU A 976 0.7043 1.1147 0.5201 -0.0038 0.117 -0.0591 +589 C ? CA ? LEU A 95 CA ? LEU A 976 0.6835 1.0532 0.4882 -0.0046 0.1137 -0.0519 +590 C ? C ? LEU A 95 C ? LEU A 976 0.704 1.0508 0.4834 0.0111 0.109 -0.0414 +591 O ? O ? LEU A 95 O ? LEU A 976 0.6959 1.0492 0.4671 0.024 0.1018 -0.0414 +592 C ? CB ? LEU A 95 CB ? LEU A 976 0.6685 1.0387 0.4792 -0.0064 0.1052 -0.0599 +593 C ? CG ? LEU A 95 CG ? LEU A 976 0.7222 1.0566 0.5222 -0.0057 0.0998 -0.0552 +594 C ? CD1 ? LEU A 95 CD1 ? LEU A 976 0.7253 1.0335 0.53 -0.0159 0.106 -0.0531 +595 C ? CD2 ? LEU A 95 CD2 ? LEU A 976 0.7472 1.0951 0.5542 -0.0061 0.0923 -0.0633 +596 N ? N ? VAL A 96 N ? VAL A 977 0.651 0.9718 0.4202 0.0116 0.1127 -0.0334 +597 C ? CA ? VAL A 96 CA ? VAL A 977 0.6444 0.9472 0.3926 0.028 0.1071 -0.0284 +598 C ? C ? VAL A 96 C ? VAL A 977 0.6531 0.9251 0.3954 0.0284 0.0999 -0.0291 +599 O ? O ? VAL A 96 O ? VAL A 977 0.6409 0.8972 0.3848 0.0204 0.1041 -0.0265 +600 C ? CB ? VAL A 96 CB ? VAL A 977 0.7049 1.0132 0.442 0.0353 0.1158 -0.02 +601 C ? CG1 ? VAL A 96 CG1 ? VAL A 977 0.7087 1.0023 0.4257 0.055 0.1075 -0.0203 +602 C ? CG2 ? VAL A 96 CG2 ? VAL A 977 0.6998 1.0441 0.4424 0.0372 0.1214 -0.0211 +603 N ? N ? MET A 97 N ? MET A 978 0.5807 0.8448 0.3194 0.0376 0.0893 -0.0326 +604 C ? CA ? MET A 97 CA ? MET A 978 0.5662 0.8067 0.3026 0.0384 0.0819 -0.0351 +605 C ? C ? MET A 97 C ? MET A 978 0.6245 0.8525 0.3528 0.0542 0.0738 -0.0387 +606 O ? O ? MET A 97 O ? MET A 978 0.6313 0.8697 0.3569 0.0654 0.0725 -0.0401 +607 C ? CB ? MET A 97 CB ? MET A 978 0.5726 0.8196 0.321 0.0324 0.0773 -0.0363 +608 C ? CG ? MET A 97 CG ? MET A 978 0.6032 0.8693 0.3627 0.0197 0.0821 -0.0389 +609 S ? SD ? MET A 97 SD ? MET A 978 0.6366 0.9244 0.4062 0.0198 0.0772 -0.0382 +610 C ? CE ? MET A 97 CE ? MET A 978 0.5953 0.8979 0.363 0.0325 0.0768 -0.0318 +611 N ? N ? GLU A 98 N ? GLU A 979 0.5738 0.7825 0.3015 0.0559 0.0673 -0.0433 +612 C ? CA ? GLU A 98 CA ? GLU A 979 0.5688 0.767 0.2968 0.0699 0.0577 -0.0523 +613 C ? C ? GLU A 98 C ? GLU A 979 0.5801 0.7788 0.325 0.0714 0.052 -0.0527 +614 O ? O ? GLU A 98 O ? GLU A 979 0.5668 0.7691 0.3217 0.061 0.054 -0.0451 +615 C ? CB ? GLU A 98 CB ? GLU A 979 0.5859 0.7676 0.3139 0.0694 0.0523 -0.0592 +616 C ? CG ? GLU A 98 CG ? GLU A 979 0.6736 0.8519 0.4144 0.0548 0.0518 -0.0564 +617 C ? CD ? GLU A 98 CD ? GLU A 979 0.8041 0.971 0.5524 0.0547 0.0446 -0.0653 +618 O ? OE1 ? GLU A 98 OE1 ? GLU A 979 0.7718 0.9319 0.5212 0.0665 0.0375 -0.0771 +619 O -1 OE2 ? GLU A 98 OE2 ? GLU A 979 0.5747 0.7442 0.3299 0.0436 0.0454 -0.0625 +620 N ? N ? TYR A 99 N ? TYR A 980 0.3827 1.4309 0.2946 0.3978 -0.0237 -0.1184 +621 C ? CA ? TYR A 99 CA ? TYR A 980 0.3838 1.3975 0.2807 0.4261 -0.0394 -0.1453 +622 C ? C ? TYR A 99 C ? TYR A 980 0.4492 1.3809 0.3367 0.4293 -0.0526 -0.1608 +623 O ? O ? TYR A 99 O ? TYR A 980 0.4752 1.4079 0.3544 0.4397 -0.0565 -0.1661 +624 C ? CB ? TYR A 99 CB ? TYR A 980 0.4077 1.4873 0.2862 0.4701 -0.0466 -0.1636 +625 C ? CG ? TYR A 99 CG ? TYR A 980 0.4406 1.4698 0.2979 0.5028 -0.067 -0.194 +626 C ? CD1 ? TYR A 99 CD1 ? TYR A 980 0.4608 1.4554 0.3199 0.4989 -0.0715 -0.1983 +627 C ? CD2 ? TYR A 99 CD2 ? TYR A 980 0.4767 1.4837 0.3109 0.5349 -0.0835 -0.2179 +628 C ? CE1 ? TYR A 99 CE1 ? TYR A 980 0.5014 1.4408 0.3391 0.5264 -0.0918 -0.2243 +629 C ? CE2 ? TYR A 99 CE2 ? TYR A 980 0.521 1.4712 0.3331 0.5623 -0.1049 -0.245 +630 C ? CZ ? TYR A 99 CZ ? TYR A 980 0.6344 1.5499 0.448 0.5576 -0.1091 -0.2474 +631 O ? OH ? TYR A 99 OH ? TYR A 980 0.708 1.5638 0.498 0.5833 -0.1314 -0.2723 +632 N ? N A VAL A 100 N A VAL A 981 0.4019 1.2647 0.2907 0.4192 -0.06 -0.1674 +633 N ? N B VAL A 100 N B VAL A 981 0.4028 1.2671 0.2911 0.4203 -0.0602 -0.1679 +634 C ? CA A VAL A 100 CA A VAL A 981 0.4124 1.1965 0.2931 0.4182 -0.0736 -0.1808 +635 C ? CA B VAL A 100 CA B VAL A 981 0.4124 1.1962 0.2938 0.4171 -0.0731 -0.1801 +636 C ? C A VAL A 100 C A VAL A 981 0.5005 1.2508 0.3571 0.4512 -0.095 -0.2086 +637 C ? C B VAL A 100 C B VAL A 981 0.501 1.2516 0.3574 0.4515 -0.095 -0.2088 +638 O ? O A VAL A 100 O A VAL A 981 0.505 1.243 0.3596 0.4547 -0.0988 -0.2129 +639 O ? O B VAL A 100 O B VAL A 981 0.5067 1.2453 0.3604 0.4563 -0.0994 -0.2138 +640 C ? CB A VAL A 100 CB A VAL A 981 0.4389 1.1655 0.3375 0.3794 -0.0671 -0.1658 +641 C ? CB B VAL A 100 CB B VAL A 981 0.4372 1.1721 0.3383 0.3775 -0.0647 -0.1632 +642 C ? CG1 A VAL A 100 CG1 A VAL A 981 0.4148 1.157 0.3277 0.356 -0.0535 -0.1457 +643 C ? CG1 B VAL A 100 CG1 B VAL A 981 0.4472 1.1032 0.3412 0.3748 -0.0792 -0.1766 +644 C ? CG2 A VAL A 100 CG2 A VAL A 981 0.4196 1.1441 0.3305 0.3617 -0.0597 -0.1556 +645 C ? CG2 B VAL A 100 CG2 B VAL A 981 0.4133 1.1536 0.3297 0.3508 -0.0516 -0.143 +646 N ? N ? PRO A 101 N ? PRO A 982 0.4888 1.2264 0.325 0.4774 -0.1101 -0.2281 +647 C ? CA ? PRO A 101 CA ? PRO A 982 0.5251 1.2289 0.3336 0.5123 -0.1335 -0.2561 +648 C ? C ? PRO A 101 C ? PRO A 982 0.589 1.2066 0.3895 0.5038 -0.1494 -0.2652 +649 O ? O ? PRO A 101 O ? PRO A 982 0.6318 1.2337 0.4122 0.5302 -0.1648 -0.2827 +650 C ? CB ? PRO A 101 CB ? PRO A 982 0.5642 1.2759 0.3534 0.5388 -0.1453 -0.2729 +651 C ? CG ? PRO A 101 CG ? PRO A 982 0.5869 1.3519 0.394 0.5219 -0.1262 -0.253 +652 C ? CD ? PRO A 101 CD ? PRO A 982 0.495 1.2493 0.3303 0.4785 -0.108 -0.2262 +653 N ? N ? LEU A 102 N ? LEU A 983 0.5126 1.0766 0.3261 0.47 -0.1473 -0.2545 +654 C ? CA ? LEU A 102 CA ? LEU A 983 0.5267 1.0117 0.3321 0.4598 -0.1629 -0.2615 +655 C ? C ? LEU A 102 C ? LEU A 983 0.5846 1.06 0.3994 0.4466 -0.157 -0.2524 +656 O ? O ? LEU A 102 O ? LEU A 983 0.6199 1.036 0.4223 0.446 -0.1725 -0.2605 +657 C ? CB ? LEU A 102 CB ? LEU A 983 0.5166 0.9487 0.3289 0.4321 -0.1665 -0.2564 +658 C ? CG ? LEU A 102 CG ? LEU A 983 0.5865 1.0139 0.3853 0.446 -0.178 -0.2692 +659 C ? CD1 ? LEU A 102 CD1 ? LEU A 983 0.5869 0.9572 0.3916 0.4177 -0.1845 -0.2651 +660 C ? CD2 ? LEU A 102 CD2 ? LEU A 983 0.6405 1.0528 0.4051 0.4871 -0.203 -0.2971 +661 N ? N ? GLY A 103 N ? GLY A 984 0.499 1.033 0.3333 0.4369 -0.1363 -0.2359 +662 C ? CA ? GLY A 103 CA ? GLY A 984 0.4843 1.0199 0.3283 0.4254 -0.1294 -0.227 +663 C ? C ? GLY A 103 C ? GLY A 984 0.5122 1.0043 0.3752 0.3858 -0.1211 -0.2106 +664 O ? O ? GLY A 103 O ? GLY A 984 0.4853 0.9603 0.3598 0.3634 -0.1152 -0.2013 +665 N ? N ? SER A 104 N ? SER A 985 0.4703 0.9472 0.336 0.3787 -0.1208 -0.2073 +666 C ? CA ? SER A 104 CA ? SER A 985 0.4472 0.8872 0.3296 0.3437 -0.1131 -0.1926 +667 C ? C ? SER A 104 C ? SER A 985 0.5425 0.9075 0.414 0.3352 -0.1295 -0.1996 +668 O ? O ? SER A 104 O ? SER A 985 0.5751 0.9078 0.4223 0.3582 -0.1501 -0.217 +669 C ? CB ? SER A 104 CB ? SER A 985 0.4557 0.9141 0.3451 0.3396 -0.1062 -0.1861 +670 O ? OG ? SER A 104 OG ? SER A 985 0.5138 0.9256 0.3867 0.3496 -0.1224 -0.197 +671 N ? N ? LEU A 105 N ? LEU A 986 0.486 0.8239 0.3744 0.3019 -0.1211 -0.1855 +672 C ? CA ? LEU A 105 CA ? LEU A 986 0.5001 0.7744 0.3826 0.2865 -0.1337 -0.1872 +673 C ? C ? LEU A 105 C ? LEU A 986 0.5617 0.7982 0.4286 0.293 -0.1478 -0.1937 +674 O ? O ? LEU A 105 O ? LEU A 986 0.5886 0.7717 0.4381 0.294 -0.1671 -0.202 +675 C ? CB ? LEU A 105 CB ? LEU A 986 0.4724 0.7401 0.3782 0.2516 -0.1187 -0.1697 +676 C ? CG ? LEU A 105 CG ? LEU A 986 0.5236 0.8024 0.4389 0.243 -0.1126 -0.1655 +677 C ? CD1 ? LEU A 105 CD1 ? LEU A 986 0.4938 0.7827 0.4326 0.215 -0.0943 -0.1478 +678 C ? CD2 ? LEU A 105 CD2 ? LEU A 986 0.5797 0.814 0.4822 0.2421 -0.1305 -0.1748 +679 N ? N ? ARG A 106 N ? ARG A 987 0.5088 0.7729 0.3808 0.2973 -0.1394 -0.1896 +680 C ? CA ? ARG A 106 CA ? ARG A 987 0.5372 0.773 0.3947 0.3059 -0.1512 -0.1949 +681 C ? C ? ARG A 106 C ? ARG A 987 0.6459 0.856 0.4717 0.3406 -0.1757 -0.2157 +682 O ? O ? ARG A 106 O ? ARG A 987 0.6896 0.8456 0.4966 0.3432 -0.1939 -0.2214 +683 C ? CB ? ARG A 106 CB ? ARG A 987 0.5602 0.8438 0.43 0.3074 -0.1366 -0.1876 +684 C ? CG ? ARG A 106 CG ? ARG A 987 0.8179 1.073 0.6776 0.3095 -0.1453 -0.1889 +685 C ? CD ? ARG A 106 CD ? ARG A 987 0.9982 1.3041 0.8583 0.3289 -0.1398 -0.1912 +686 N ? NE ? ARG A 106 NE ? ARG A 987 1.1443 1.4715 0.9836 0.3683 -0.1523 -0.2088 +687 C ? CZ ? ARG A 106 CZ ? ARG A 987 1.3225 1.7015 1.1588 0.3922 -0.15 -0.214 +688 N ? NH1 ? ARG A 106 NH1 ? ARG A 987 1.1481 1.5472 0.9639 0.4306 -0.1623 -0.2315 +689 N 1 NH2 ? ARG A 106 NH2 ? ARG A 987 1.1349 1.5486 0.9883 0.3785 -0.1359 -0.2022 +690 N ? N ? ASP A 107 N ? ASP A 988 0.6062 0.8539 0.4245 0.3675 -0.1772 -0.2269 +691 C ? CA ? ASP A 107 CA ? ASP A 988 0.6424 0.869 0.4287 0.4044 -0.201 -0.249 +692 C ? C ? ASP A 107 C ? ASP A 988 0.6708 0.8563 0.445 0.4029 -0.2157 -0.2574 +693 O ? O ? ASP A 107 O ? ASP A 988 0.6938 0.8296 0.4382 0.4227 -0.2413 -0.274 +694 C ? CB ? ASP A 107 CB ? ASP A 988 0.6696 0.9661 0.4521 0.4387 -0.1956 -0.2583 +695 C ? CG ? ASP A 107 CG ? ASP A 988 0.8122 1.1549 0.6058 0.4413 -0.1827 -0.2508 +696 O ? OD1 ? ASP A 107 OD1 ? ASP A 988 0.8463 1.1531 0.6327 0.4386 -0.1905 -0.2505 +697 O -1 OD2 ? ASP A 107 OD2 ? ASP A 988 0.8614 1.2768 0.6704 0.4451 -0.1653 -0.2445 +698 N ? N ? TYR A 108 N ? TYR A 989 0.5882 0.7918 0.3839 0.3791 -0.2008 -0.2459 +699 C ? CA ? TYR A 108 CA ? TYR A 989 0.6008 0.7744 0.3887 0.3754 -0.2124 -0.2524 +700 C ? C ? TYR A 108 C ? TYR A 989 0.6772 0.7766 0.4556 0.3533 -0.2296 -0.2511 +701 O ? O ? TYR A 108 O ? TYR A 989 0.7006 0.7553 0.4539 0.3656 -0.2537 -0.2659 +702 C ? CB ? TYR A 108 CB ? TYR A 989 0.5725 0.7895 0.3862 0.357 -0.1912 -0.2395 +703 C ? CG ? TYR A 108 CG ? TYR A 989 0.6123 0.8153 0.4165 0.3622 -0.2025 -0.2491 +704 C ? CD1 ? TYR A 108 CD1 ? TYR A 989 0.6469 0.8829 0.4369 0.3945 -0.2076 -0.2638 +705 C ? CD2 ? TYR A 108 CD2 ? TYR A 989 0.6262 0.7866 0.4351 0.335 -0.2082 -0.2436 +706 C ? CE1 ? TYR A 108 CE1 ? TYR A 989 0.6774 0.9009 0.4577 0.3998 -0.2187 -0.2735 +707 C ? CE2 ? TYR A 108 CE2 ? TYR A 989 0.6534 0.8022 0.4535 0.339 -0.2195 -0.2528 +708 C ? CZ ? TYR A 108 CZ ? TYR A 989 0.7718 0.9505 0.5574 0.3715 -0.2249 -0.268 +709 O ? OH ? TYR A 108 OH ? TYR A 989 0.8123 0.9798 0.5884 0.3759 -0.2366 -0.2777 +710 N ? N ? LEU A 109 N ? LEU A 990 0.618 0.7057 0.4159 0.3199 -0.2179 -0.2331 +711 C ? CA ? LEU A 109 CA ? LEU A 990 0.6428 0.669 0.4355 0.2936 -0.2314 -0.2277 +712 C ? C ? LEU A 109 C ? LEU A 990 0.7647 0.7273 0.5239 0.307 -0.2605 -0.2397 +713 O ? O ? LEU A 109 O ? LEU A 990 0.8119 0.7242 0.5551 0.2989 -0.2811 -0.2448 +714 C ? CB ? LEU A 109 CB ? LEU A 990 0.6048 0.6394 0.4249 0.2577 -0.2118 -0.2064 +715 C ? CG ? LEU A 109 CG ? LEU A 990 0.6128 0.6924 0.462 0.24 -0.1882 -0.1942 +716 C ? CD1 ? LEU A 109 CD1 ? LEU A 990 0.5815 0.6633 0.4526 0.2089 -0.1726 -0.1762 +717 C ? CD2 ? LEU A 109 CD2 ? LEU A 990 0.6497 0.7183 0.497 0.2346 -0.1961 -0.1984 +718 N ? N ? PRO A 110 N ? PRO A 991 0.7303 0.6928 0.4758 0.3296 -0.2653 -0.2458 +719 C ? CA ? PRO A 110 CA ? PRO A 991 0.792 0.6884 0.5017 0.3452 -0.2959 -0.2582 +720 C ? C ? PRO A 110 C ? PRO A 991 0.9083 0.7792 0.5867 0.3771 -0.321 -0.2813 +721 O ? O ? PRO A 110 O ? PRO A 991 0.976 0.7777 0.6232 0.3823 -0.3503 -0.2907 +722 C ? CB ? PRO A 110 CB ? PRO A 991 0.8089 0.7266 0.5146 0.3662 -0.2912 -0.2597 +723 C ? CG ? PRO A 110 CG ? PRO A 991 0.7896 0.7731 0.5327 0.3476 -0.258 -0.2427 +724 C ? CD ? PRO A 110 CD ? PRO A 991 0.7069 0.727 0.4678 0.3405 -0.2447 -0.2409 +725 N ? N ? ARG A 111 N ? ARG A 992 0.8402 0.7663 0.5258 0.3981 -0.3102 -0.29 +726 C ? CA ? ARG A 111 CA ? ARG A 992 0.8696 0.789 0.5286 0.4327 -0.3295 -0.3131 +727 C ? C ? ARG A 111 C ? ARG A 992 0.9544 0.8348 0.6079 0.4149 -0.3434 -0.3158 +728 O ? O ? ARG A 111 O ? ARG A 992 1.0032 0.8415 0.6241 0.4377 -0.3711 -0.3358 +729 C ? CB ? ARG A 111 CB ? ARG A 992 0.7986 0.8036 0.4719 0.4575 -0.3084 -0.3172 +730 C ? CG ? ARG A 111 CG ? ARG A 992 0.8922 0.9071 0.5358 0.5048 -0.3262 -0.3432 +731 C ? CD ? ARG A 111 CD ? ARG A 992 0.8357 0.9418 0.4977 0.5214 -0.3027 -0.3425 +732 N ? NE ? ARG A 111 NE ? ARG A 992 0.7983 0.9629 0.4765 0.5274 -0.2825 -0.3332 +733 C ? CZ ? ARG A 111 CZ ? ARG A 992 0.8527 1.0808 0.5652 0.506 -0.2526 -0.3135 +734 N ? NH1 ? ARG A 111 NH1 ? ARG A 992 0.724 0.9646 0.4579 0.479 -0.2387 -0.301 +735 N 1 NH2 ? ARG A 111 NH2 ? ARG A 992 0.6074 0.8857 0.3318 0.5115 -0.2375 -0.3062 +736 N ? N ? HIS A 112 N ? HIS A 993 0.8768 0.7722 0.5607 0.3758 -0.3252 -0.2968 +737 C ? CA ? HIS A 112 CA ? HIS A 993 0.8854 0.7551 0.5685 0.357 -0.3354 -0.2977 +738 C ? C ? HIS A 112 C ? HIS A 993 0.9447 0.771 0.6377 0.3121 -0.339 -0.2803 +739 O ? O ? HIS A 112 O ? HIS A 993 0.9159 0.7502 0.6275 0.2902 -0.3236 -0.263 +740 C ? CB ? HIS A 112 CB ? HIS A 993 0.8396 0.7764 0.5486 0.356 -0.3117 -0.2933 +741 C ? CG ? HIS A 112 CG ? HIS A 993 0.8736 0.8609 0.5743 0.397 -0.3073 -0.3083 +742 N ? ND1 ? HIS A 112 ND1 ? HIS A 993 0.9325 0.91 0.6079 0.4254 -0.327 -0.3298 +743 C ? CD2 ? HIS A 112 CD2 ? HIS A 993 0.8546 0.9046 0.5693 0.4123 -0.2857 -0.3039 +744 C ? CE1 ? HIS A 112 CE1 ? HIS A 993 0.9098 0.9471 0.5844 0.4585 -0.3161 -0.3378 +745 N ? NE2 ? HIS A 112 NE2 ? HIS A 993 0.867 0.9502 0.5654 0.4506 -0.2913 -0.322 +746 N ? N ? SER A 113 N ? SER A 994 0.9366 0.7217 0.6177 0.2981 -0.359 -0.2848 +747 C ? CA ? SER A 113 CA ? SER A 994 0.9412 0.6927 0.6318 0.2541 -0.3637 -0.2684 +748 C ? C ? SER A 113 C ? SER A 994 0.942 0.7529 0.6702 0.2328 -0.3354 -0.2544 +749 O ? O ? SER A 113 O ? SER A 994 0.9464 0.7732 0.6762 0.237 -0.3373 -0.2617 +750 C ? CB ? SER A 113 CB ? SER A 994 1.0567 0.7429 0.7172 0.2496 -0.3987 -0.2803 +751 O ? OG ? SER A 113 OG ? SER A 994 1.2497 0.8658 0.8851 0.2384 -0.4235 -0.2779 +752 N ? N ? ILE A 114 N ? ILE A 995 0.8398 0.6844 0.5963 0.2133 -0.3097 -0.2355 +753 C ? CA ? ILE A 114 CA ? ILE A 995 0.7774 0.6761 0.5684 0.1946 -0.2824 -0.2214 +754 C ? C ? ILE A 114 C ? ILE A 995 0.8143 0.6979 0.6202 0.1533 -0.2809 -0.2036 +755 O ? O ? ILE A 114 O ? ILE A 995 0.8209 0.677 0.6233 0.1378 -0.285 -0.1945 +756 C ? CB ? ILE A 114 CB ? ILE A 995 0.7624 0.7171 0.5742 0.2063 -0.2536 -0.2145 +757 C ? CG1 ? ILE A 114 CG1 ? ILE A 995 0.7735 0.7485 0.5696 0.2471 -0.2556 -0.2308 +758 C ? CG2 ? ILE A 114 CG2 ? ILE A 995 0.7046 0.7099 0.5482 0.1898 -0.2279 -0.2011 +759 C ? CD1 ? ILE A 114 CD1 ? ILE A 995 0.8212 0.8324 0.6169 0.2679 -0.2526 -0.2413 +760 N ? N ? GLY A 115 N ? GLY A 996 0.7446 0.6497 0.5663 0.1372 -0.2752 -0.1989 +761 C ? CA ? GLY A 115 CA ? GLY A 996 0.721 0.6255 0.5595 0.0996 -0.2721 -0.1825 +762 C ? C ? GLY A 115 C ? GLY A 996 0.6892 0.6422 0.5587 0.0879 -0.2417 -0.1666 +763 O ? O ? GLY A 115 O ? GLY A 996 0.6387 0.6299 0.5193 0.1066 -0.2224 -0.1679 +764 N ? N ? LEU A 116 N ? LEU A 997 0.635 0.5865 0.5172 0.0563 -0.2386 -0.1512 +765 C ? CA ? LEU A 116 CA ? LEU A 997 0.5876 0.5789 0.4969 0.0416 -0.2133 -0.1359 +766 C ? C ? LEU A 116 C ? LEU A 997 0.5698 0.6123 0.5 0.0516 -0.1919 -0.1355 +767 O ? O ? LEU A 116 O ? LEU A 997 0.5321 0.6026 0.4756 0.0592 -0.1715 -0.1306 +768 C ? CB ? LEU A 116 CB ? LEU A 997 0.6022 0.5855 0.5182 0.0062 -0.2192 -0.1221 +769 C ? CG ? LEU A 116 CG ? LEU A 997 0.6314 0.6494 0.5712 -0.0123 -0.198 -0.106 +770 C ? CD1 ? LEU A 116 CD1 ? LEU A 997 0.6032 0.6259 0.5455 -0.0005 -0.1835 -0.1037 +771 C ? CD2 ? LEU A 116 CD2 ? LEU A 997 0.705 0.7078 0.6435 -0.0454 -0.2097 -0.0935 +772 N ? N ? ALA A 117 N ? ALA A 998 0.5165 0.5687 0.4478 0.0518 -0.1979 -0.1406 +773 C ? CA ? ALA A 117 CA ? ALA A 998 0.4749 0.5717 0.4228 0.0617 -0.1809 -0.1403 +774 C ? C ? ALA A 117 C ? ALA A 998 0.4869 0.6017 0.432 0.0908 -0.1698 -0.1471 +775 O ? O ? ALA A 117 O ? ALA A 998 0.436 0.5852 0.3975 0.0944 -0.1491 -0.1398 +776 C ? CB ? ALA A 117 CB ? ALA A 998 0.4999 0.5979 0.4444 0.0586 -0.1938 -0.1465 +777 N ? N ? GLN A 118 N ? GLN A 999 0.4711 0.5629 0.3943 0.1113 -0.1846 -0.1608 +778 C ? CA ? GLN A 118 CA ? GLN A 999 0.4618 0.5745 0.3801 0.1395 -0.1764 -0.1678 +779 C ? C ? GLN A 118 C ? GLN A 999 0.4811 0.6056 0.4084 0.1393 -0.1602 -0.159 +780 O ? O ? GLN A 118 O ? GLN A 999 0.4506 0.6107 0.3878 0.1503 -0.1431 -0.1555 +781 C ? CB ? GLN A 118 CB ? GLN A 999 0.5235 0.6091 0.414 0.163 -0.1985 -0.1861 +782 C ? CG ? GLN A 118 CG ? GLN A 999 0.6761 0.7911 0.56 0.1947 -0.1915 -0.1947 +783 C ? CD ? GLN A 118 CD ? GLN A 999 0.8548 1.0159 0.7509 0.2029 -0.1771 -0.1924 +784 O ? OE1 ? GLN A 118 OE1 ? GLN A 999 0.7564 0.9535 0.6706 0.1998 -0.1556 -0.1804 +785 N ? NE2 ? GLN A 118 NE2 ? GLN A 999 0.8201 0.9791 0.7047 0.2138 -0.1901 -0.2039 +786 N ? N ? LEU A 119 N ? LEU A 1000 0.433 0.5287 0.3573 0.1247 -0.1657 -0.1542 +787 C ? CA ? LEU A 119 CA ? LEU A 1000 0.4023 0.5076 0.3352 0.1219 -0.1514 -0.1456 +788 C ? C ? LEU A 119 C ? LEU A 1000 0.4019 0.542 0.3596 0.1083 -0.1289 -0.1323 +789 O ? O ? LEU A 119 O ? LEU A 1000 0.3718 0.537 0.3381 0.1153 -0.1133 -0.128 +790 C ? CB ? LEU A 119 CB ? LEU A 1000 0.419 0.4862 0.3433 0.1066 -0.1626 -0.1419 +791 C ? CG ? LEU A 119 CG ? LEU A 1000 0.5132 0.536 0.4095 0.1191 -0.1873 -0.154 +792 C ? CD1 ? LEU A 119 CD1 ? LEU A 1000 0.5325 0.5173 0.4218 0.098 -0.1981 -0.1462 +793 C ? CD2 ? LEU A 119 CD2 ? LEU A 1000 0.5349 0.5677 0.4205 0.1485 -0.1857 -0.1635 +794 N ? N ? LEU A 120 N ? LEU A 1001 0.3531 0.4953 0.3212 0.0896 -0.1285 -0.1262 +795 C ? CA ? LEU A 120 CA ? LEU A 1001 0.3298 0.5024 0.3189 0.0791 -0.1096 -0.1152 +796 C ? C ? LEU A 120 C ? LEU A 1001 0.3653 0.5688 0.3604 0.0943 -0.0985 -0.1161 +797 O ? O ? LEU A 120 O ? LEU A 1001 0.3464 0.5716 0.354 0.0931 -0.0821 -0.108 +798 C ? CB ? LEU A 120 CB ? LEU A 1001 0.3335 0.5054 0.3312 0.0571 -0.1129 -0.109 +799 C ? CG ? LEU A 120 CG ? LEU A 1001 0.4022 0.5515 0.3975 0.037 -0.1201 -0.103 +800 C ? CD1 ? LEU A 120 CD1 ? LEU A 1001 0.42 0.5676 0.4184 0.0162 -0.1299 -0.099 +801 C ? CD2 ? LEU A 120 CD2 ? LEU A 1001 0.3924 0.5557 0.3997 0.0306 -0.1034 -0.0936 +802 N ? N ? LEU A 121 N ? LEU A 1002 0.3338 0.5373 0.3181 0.1089 -0.1087 -0.126 +803 C ? CA ? LEU A 121 CA ? LEU A 1002 0.3207 0.5536 0.3071 0.1251 -0.1004 -0.1272 +804 C ? C ? LEU A 121 C ? LEU A 1002 0.3645 0.6127 0.3491 0.1384 -0.0905 -0.1258 +805 O ? O ? LEU A 121 O ? LEU A 1002 0.3478 0.6228 0.3418 0.1406 -0.076 -0.1178 +806 C ? CB ? LEU A 121 CB ? LEU A 1002 0.3439 0.572 0.3162 0.1385 -0.116 -0.1399 +807 C ? CG ? LEU A 121 CG ? LEU A 1002 0.3904 0.6512 0.3647 0.1536 -0.1089 -0.1405 +808 C ? CD1 ? LEU A 121 CD1 ? LEU A 1002 0.3682 0.6491 0.3599 0.1418 -0.096 -0.1291 +809 C ? CD2 ? LEU A 121 CD2 ? LEU A 1002 0.4178 0.6712 0.3763 0.1671 -0.1263 -0.1548 +810 N ? N ? PHE A 122 N ? PHE A 1003 0.3323 0.5637 0.3044 0.1464 -0.0991 -0.1327 +811 C ? CA ? PHE A 122 CA ? PHE A 1003 0.3216 0.5715 0.2927 0.1578 -0.0903 -0.1311 +812 C ? C ? PHE A 122 C ? PHE A 1003 0.3493 0.6091 0.337 0.1415 -0.0736 -0.1172 +813 O ? O ? PHE A 122 O ? PHE A 1003 0.3314 0.6189 0.326 0.1445 -0.0607 -0.1101 +814 C ? CB ? PHE A 122 CB ? PHE A 1003 0.3664 0.5938 0.3211 0.1684 -0.1035 -0.1409 +815 C ? CG ? PHE A 122 CG ? PHE A 1003 0.4152 0.6303 0.3488 0.19 -0.122 -0.1571 +816 C ? CD1 ? PHE A 122 CD1 ? PHE A 1003 0.4591 0.7015 0.3886 0.2076 -0.1216 -0.163 +817 C ? CD2 ? PHE A 122 CD2 ? PHE A 1003 0.4637 0.6391 0.3792 0.1944 -0.1407 -0.1668 +818 C ? CE1 ? PHE A 122 CE1 ? PHE A 1003 0.4969 0.728 0.4049 0.23 -0.1397 -0.1799 +819 C ? CE2 ? PHE A 122 CE2 ? PHE A 1003 0.5316 0.6907 0.4242 0.2167 -0.1601 -0.1836 +820 C ? CZ ? PHE A 122 CZ ? PHE A 1003 0.5122 0.7004 0.4013 0.2353 -0.1593 -0.1908 +821 N ? N ? ALA A 123 N ? ALA A 1004 0.2954 0.5327 0.2885 0.1234 -0.0746 -0.1129 +822 C ? CA ? ALA A 123 CA ? ALA A 1004 0.2743 0.5169 0.2811 0.1084 -0.0609 -0.1017 +823 C ? C ? ALA A 123 C ? ALA A 1004 0.2926 0.5567 0.3115 0.1048 -0.0484 -0.0937 +824 O ? O ? ALA A 123 O ? ALA A 1004 0.2694 0.5466 0.295 0.1023 -0.0365 -0.086 +825 C ? CB ? ALA A 123 CB ? ALA A 1004 0.2972 0.5159 0.3058 0.0913 -0.0662 -0.0996 +826 N ? N ? GLN A 124 N ? GLN A 1005 0.2581 0.5245 0.2781 0.1051 -0.0524 -0.0956 +827 C ? CA ? GLN A 124 CA ? GLN A 1005 0.2451 0.53 0.2738 0.1048 -0.0431 -0.0891 +828 C ? C ? GLN A 124 C ? GLN A 1005 0.3003 0.6073 0.3268 0.1169 -0.0357 -0.0855 +829 O ? O ? GLN A 124 O ? GLN A 1005 0.2965 0.6131 0.3294 0.113 -0.0249 -0.076 +830 C ? CB ? GLN A 124 CB ? GLN A 1005 0.2654 0.5504 0.2933 0.1054 -0.0518 -0.094 +831 C ? CG ? GLN A 124 CG ? GLN A 1005 0.4112 0.7146 0.447 0.1066 -0.044 -0.088 +832 C ? CD ? GLN A 124 CD ? GLN A 1005 0.5568 0.8662 0.5888 0.1127 -0.0535 -0.0945 +833 O ? OE1 ? GLN A 124 OE1 ? GLN A 1005 0.4663 0.7632 0.4956 0.1062 -0.0655 -0.1008 +834 N ? NE2 ? GLN A 124 NE2 ? GLN A 1005 0.4216 0.75 0.4527 0.1239 -0.0492 -0.0923 +835 N ? N ? GLN A 125 N ? GLN A 1006 0.2643 0.5791 0.2802 0.1314 -0.0425 -0.093 +836 C ? CA ? GLN A 125 CA ? GLN A 1006 0.2537 0.5963 0.2663 0.1432 -0.0366 -0.0896 +837 C ? C ? GLN A 125 C ? GLN A 1006 0.3127 0.664 0.3289 0.1379 -0.0273 -0.0816 +838 O ? O ? GLN A 125 O ? GLN A 1006 0.3108 0.6829 0.3301 0.1366 -0.0182 -0.0713 +839 C ? CB ? GLN A 125 CB ? GLN A 1006 0.2732 0.6243 0.2722 0.1622 -0.0475 -0.1018 +840 C ? CG ? GLN A 125 CG ? GLN A 1006 0.2583 0.6074 0.253 0.1685 -0.0561 -0.1087 +841 C ? CD ? GLN A 125 CD ? GLN A 1006 0.4835 0.8339 0.4619 0.1882 -0.0699 -0.1237 +842 O ? OE1 ? GLN A 125 OE1 ? GLN A 1006 0.4041 0.7652 0.3739 0.2015 -0.0719 -0.1287 +843 N ? NE2 ? GLN A 125 NE2 ? GLN A 1006 0.4946 0.8358 0.4676 0.1918 -0.0807 -0.1319 +844 N ? N ? ILE A 126 N ? ILE A 1007 0.272 0.6065 0.2874 0.1332 -0.0303 -0.0852 +845 C ? CA ? ILE A 126 CA ? ILE A 1007 0.2574 0.5987 0.2768 0.1264 -0.0225 -0.0784 +846 C ? C ? ILE A 126 C ? ILE A 1007 0.3148 0.6523 0.3446 0.111 -0.012 -0.0664 +847 O ? O ? ILE A 126 O ? ILE A 1007 0.3218 0.6756 0.354 0.1072 -0.0042 -0.0569 +848 C ? CB ? ILE A 126 CB ? ILE A 1007 0.293 0.614 0.3086 0.1248 -0.0291 -0.0851 +849 C ? CG1 ? ILE A 126 CG1 ? ILE A 1007 0.303 0.628 0.3047 0.1439 -0.0405 -0.0972 +850 C ? CG2 ? ILE A 126 CG2 ? ILE A 1007 0.29 0.6154 0.3116 0.1144 -0.0206 -0.0775 +851 C ? CD1 ? ILE A 126 CD1 ? ILE A 1007 0.3176 0.6095 0.3105 0.1444 -0.0532 -0.1062 +852 N ? N ? CYS A 127 N ? CYS A 1008 0.2629 0.5803 0.2975 0.1028 -0.0129 -0.067 +853 C ? CA ? CYS A 127 CA ? CYS A 1008 0.2507 0.5618 0.2928 0.0922 -0.0051 -0.0586 +854 C ? C ? CYS A 127 C ? CYS A 1008 0.2811 0.6059 0.323 0.0953 0.0001 -0.0502 +855 O ? O ? CYS A 127 O ? CYS A 1008 0.269 0.5906 0.3129 0.0878 0.0064 -0.0413 +856 C ? CB ? CYS A 127 CB ? CYS A 1008 0.259 0.5547 0.3052 0.0866 -0.0083 -0.0622 +857 S ? SG ? CYS A 127 SG ? CYS A 1008 0.3097 0.5873 0.3573 0.076 -0.0112 -0.0658 +858 N ? N ? GLU A 128 N ? GLU A 1009 0.2295 0.5674 0.2673 0.1061 -0.0037 -0.053 +859 C ? CA ? GLU A 128 CA ? GLU A 1009 0.2218 0.5748 0.2576 0.1104 0 -0.0447 +860 C ? C ? GLU A 128 C ? GLU A 1009 0.2736 0.6451 0.3067 0.1084 0.0053 -0.0352 +861 O ? O ? GLU A 128 O ? GLU A 1009 0.2748 0.6458 0.3078 0.1012 0.0105 -0.023 +862 C ? CB ? GLU A 128 CB ? GLU A 1009 0.2374 0.6033 0.2686 0.1236 -0.0063 -0.0515 +863 C ? CG ? GLU A 128 CG ? GLU A 1009 0.3246 0.6784 0.3592 0.1234 -0.0108 -0.057 +864 C ? CD ? GLU A 128 CD ? GLU A 1009 0.5307 0.8931 0.5601 0.1346 -0.0199 -0.0667 +865 O ? OE1 ? GLU A 128 OE1 ? GLU A 1009 0.4782 0.8592 0.5001 0.146 -0.0216 -0.0682 +866 O -1 OE2 ? GLU A 128 OE2 ? GLU A 1009 0.4648 0.8171 0.4971 0.1318 -0.026 -0.0729 +867 N ? N ? GLY A 129 N ? GLY A 1010 0.2258 0.613 0.2557 0.1143 0.0029 -0.0405 +868 C ? CA ? GLY A 129 CA ? GLY A 1010 0.2151 0.628 0.2433 0.1121 0.0075 -0.032 +869 C ? C ? GLY A 129 C ? GLY A 1010 0.263 0.6632 0.296 0.0952 0.0127 -0.0233 +870 O ? O ? GLY A 129 O ? GLY A 1010 0.2738 0.6862 0.3062 0.086 0.0174 -0.0099 +871 N ? N ? MET A 130 N ? MET A 1011 0.1995 0.5743 0.2362 0.09 0.0111 -0.0303 +872 C ? CA ? MET A 130 CA ? MET A 1011 0.1912 0.551 0.2316 0.0753 0.015 -0.0248 +873 C ? C ? MET A 130 C ? MET A 1011 0.2457 0.5857 0.2866 0.0661 0.0181 -0.016 +874 O ? O ? MET A 130 O ? MET A 1011 0.2542 0.5898 0.2943 0.0541 0.0208 -0.0067 +875 C ? CB ? MET A 130 CB ? MET A 1011 0.2078 0.549 0.2507 0.0741 0.012 -0.0349 +876 C ? CG ? MET A 130 CG ? MET A 1011 0.2408 0.597 0.2808 0.0817 0.0082 -0.0421 +877 S ? SD ? MET A 130 SD ? MET A 1011 0.2822 0.6706 0.3224 0.077 0.0126 -0.0337 +878 C ? CE ? MET A 130 CE ? MET A 1011 0.2272 0.5927 0.2725 0.0576 0.0167 -0.0276 +879 N ? N ? ALA A 131 N ? ALA A 1012 0.202 0.5298 0.2429 0.0721 0.0165 -0.0191 +880 C ? CA ? ALA A 131 CA ? ALA A 1012 0.2134 0.5226 0.2525 0.0684 0.0179 -0.0122 +881 C ? C ? ALA A 131 C ? ALA A 1012 0.2932 0.6122 0.3261 0.0644 0.0196 0.0021 +882 O ? O ? ALA A 131 O ? ALA A 1012 0.318 0.6184 0.3467 0.0547 0.0201 0.0112 +883 C ? CB ? ALA A 131 CB ? ALA A 1012 0.2144 0.5187 0.2548 0.0782 0.0155 -0.0186 +884 N ? N ? TYR A 132 N ? TYR A 1013 0.2401 0.5882 0.2711 0.0715 0.0195 0.0044 +885 C ? CA ? TYR A 132 CA ? TYR A 1013 0.2435 0.6092 0.2685 0.0669 0.0211 0.0197 +886 C ? C ? TYR A 132 C ? TYR A 1013 0.3014 0.6738 0.3263 0.051 0.0232 0.0293 +887 O ? O ? TYR A 132 O ? TYR A 1013 0.3312 0.6948 0.3505 0.0383 0.0232 0.044 +888 C ? CB ? TYR A 132 CB ? TYR A 1013 0.248 0.6499 0.2709 0.0799 0.0207 0.0182 +889 C ? CG ? TYR A 132 CG ? TYR A 1013 0.2842 0.7152 0.3018 0.0733 0.0232 0.035 +890 C ? CD1 ? TYR A 132 CD1 ? TYR A 1013 0.3207 0.7455 0.3313 0.0694 0.0231 0.0492 +891 C ? CD2 ? TYR A 132 CD2 ? TYR A 1013 0.2861 0.7518 0.305 0.0699 0.0253 0.0379 +892 C ? CE1 ? TYR A 132 CE1 ? TYR A 1013 0.336 0.7875 0.3408 0.0598 0.0249 0.0675 +893 C ? CE2 ? TYR A 132 CE2 ? TYR A 1013 0.3036 0.8015 0.3183 0.0609 0.0279 0.0554 +894 C ? CZ ? TYR A 132 CZ ? TYR A 1013 0.4007 0.8909 0.4083 0.0546 0.0276 0.071 +895 O ? OH ? TYR A 132 OH ? TYR A 1013 0.4532 0.9765 0.4558 0.0432 0.0295 0.0905 +896 N ? N ? LEU A 133 N ? LEU A 1014 0.2434 0.6309 0.2735 0.0513 0.0239 0.0214 +897 C ? CA ? LEU A 133 CA ? LEU A 1014 0.2361 0.6354 0.2675 0.0369 0.0256 0.0288 +898 C ? C ? LEU A 133 C ? LEU A 1014 0.308 0.6704 0.3377 0.0209 0.0248 0.0343 +899 O ? O ? LEU A 133 O ? LEU A 1014 0.3208 0.6849 0.3468 0.0046 0.0245 0.0485 +900 C ? CB ? LEU A 133 CB ? LEU A 1014 0.218 0.6343 0.2543 0.044 0.0254 0.0163 +901 C ? CG ? LEU A 133 CG ? LEU A 1014 0.2735 0.715 0.3121 0.0322 0.0272 0.023 +902 C ? CD1 ? LEU A 133 CD1 ? LEU A 1014 0.2747 0.7638 0.3111 0.0318 0.0293 0.0346 +903 C ? CD2 ? LEU A 133 CD2 ? LEU A 1014 0.2708 0.7167 0.313 0.04 0.0257 0.0092 +904 N ? N ? HIS A 134 N ? HIS A 1015 0.2739 0.6035 0.3052 0.0255 0.0234 0.0234 +905 C ? CA ? HIS A 134 CA ? HIS A 1015 0.2832 0.5761 0.3114 0.0152 0.0216 0.0249 +906 C ? C ? HIS A 134 C ? HIS A 1015 0.3522 0.6223 0.3704 0.0106 0.0188 0.0367 +907 O ? O ? HIS A 134 O ? HIS A 1015 0.3649 0.6092 0.3764 -0.0025 0.0155 0.0435 +908 C ? CB ? HIS A 134 CB ? HIS A 1015 0.278 0.5508 0.3105 0.0235 0.0213 0.0098 +909 C ? CG ? HIS A 134 CG ? HIS A 1015 0.3065 0.591 0.3454 0.0228 0.0224 0.0011 +910 N ? ND1 ? HIS A 134 ND1 ? HIS A 1015 0.3253 0.5933 0.3673 0.0255 0.022 -0.0097 +911 C ? CD2 ? HIS A 134 CD2 ? HIS A 1015 0.3222 0.6341 0.3637 0.02 0.0234 0.0025 +912 C ? CE1 ? HIS A 134 CE1 ? HIS A 1015 0.3062 0.5881 0.3519 0.024 0.0223 -0.0141 +913 N ? NE2 ? HIS A 134 NE2 ? HIS A 1015 0.3083 0.6167 0.3538 0.0218 0.023 -0.0078 +914 N ? N ? SER A 135 N ? SER A 1016 0.3047 0.5834 0.3204 0.0214 0.0188 0.0394 +915 C ? CA ? SER A 135 CA ? SER A 1016 0.327 0.5857 0.3317 0.0196 0.0153 0.0514 +916 C ? C ? SER A 135 C ? SER A 1016 0.3967 0.6651 0.3943 0.0014 0.0139 0.071 +917 O ? O ? SER A 135 O ? SER A 1016 0.4288 0.6679 0.4143 -0.0074 0.0085 0.0831 +918 C ? CB ? SER A 135 CB ? SER A 1016 0.3709 0.6421 0.3755 0.0363 0.0159 0.0488 +919 O ? OG ? SER A 135 OG ? SER A 1016 0.4454 0.7554 0.4508 0.0371 0.0182 0.0563 +920 N ? N ? GLN A 136 N ? GLN A 1017 0.3395 0.65 0.3437 -0.004 0.0177 0.0743 +921 C ? CA ? GLN A 136 CA ? GLN A 1017 0.35 0.6841 0.3503 -0.0228 0.0174 0.0933 +922 C ? C ? GLN A 136 C ? GLN A 1017 0.4342 0.7576 0.4354 -0.0427 0.0153 0.0965 +923 O ? O ? GLN A 136 O ? GLN A 1017 0.441 0.7887 0.4408 -0.0613 0.0148 0.1119 +924 C ? CB ? GLN A 136 CB ? GLN A 1017 0.3397 0.7333 0.3466 -0.015 0.0226 0.0939 +925 C ? CG ? GLN A 136 CG ? GLN A 1017 0.3892 0.798 0.3935 0.0029 0.0237 0.0927 +926 C ? CD ? GLN A 136 CD ? GLN A 1017 0.5126 0.8963 0.5049 -0.0032 0.0198 0.1083 +927 O ? OE1 ? GLN A 136 OE1 ? GLN A 1017 0.4765 0.8256 0.4648 0.0076 0.0171 0.1019 +928 N ? NE2 ? GLN A 136 NE2 ? GLN A 1017 0.3866 0.7854 0.3719 -0.0216 0.0186 0.1298 +929 N ? N ? HIS A 137 N ? HIS A 1018 0.4031 0.6937 0.4066 -0.0391 0.014 0.082 +930 C ? CA ? HIS A 137 CA ? HIS A 1018 0.4046 0.6792 0.4085 -0.0546 0.0114 0.0807 +931 C ? C ? HIS A 137 C ? HIS A 1018 0.4076 0.7254 0.4223 -0.06 0.0156 0.0784 +932 O ? O ? HIS A 137 O ? HIS A 1018 0.4013 0.7232 0.4153 -0.0797 0.0131 0.0866 +933 C ? CB ? HIS A 137 CB ? HIS A 1018 0.4579 0.6941 0.4477 -0.0754 0.0029 0.0956 +934 C ? CG ? HIS A 137 CG ? HIS A 1018 0.531 0.7201 0.508 -0.0662 -0.0028 0.0952 +935 N ? ND1 ? HIS A 137 ND1 ? HIS A 1018 0.5938 0.7644 0.5563 -0.0767 -0.0093 0.1134 +936 C ? CD2 ? HIS A 137 CD2 ? HIS A 1018 0.5496 0.7109 0.5259 -0.0469 -0.003 0.0793 +937 C ? CE1 ? HIS A 137 CE1 ? HIS A 1018 0.6022 0.7322 0.5552 -0.0613 -0.0137 0.1068 +938 N ? NE2 ? HIS A 137 NE2 ? HIS A 1018 0.5785 0.7044 0.54 -0.0431 -0.0097 0.0862 +939 N ? N ? TYR A 138 N ? TYR A 1019 0.3396 0.6874 0.3632 -0.0415 0.0207 0.0661 +940 C ? CA ? TYR A 138 CA ? TYR A 1019 0.3214 0.7092 0.3537 -0.0399 0.0239 0.0608 +941 C ? C ? TYR A 138 C ? TYR A 1019 0.3438 0.7197 0.3817 -0.0242 0.0248 0.0412 +942 O ? O ? TYR A 138 O ? TYR A 1019 0.3432 0.697 0.3805 -0.0105 0.0246 0.0317 +943 C ? CB ? TYR A 138 CB ? TYR A 1019 0.3378 0.7786 0.3724 -0.0305 0.0273 0.0652 +944 C ? CG ? TYR A 138 CG ? TYR A 1019 0.3867 0.8518 0.4165 -0.0468 0.027 0.0867 +945 C ? CD1 ? TYR A 138 CD1 ? TYR A 1019 0.4203 0.9093 0.4512 -0.0693 0.0263 0.1002 +946 C ? CD2 ? TYR A 138 CD2 ? TYR A 1019 0.4038 0.8731 0.4278 -0.0406 0.0273 0.0944 +947 C ? CE1 ? TYR A 138 CE1 ? TYR A 1019 0.4464 0.9605 0.4724 -0.0875 0.0254 0.1224 +948 C ? CE2 ? TYR A 138 CE2 ? TYR A 1019 0.4327 0.9261 0.4512 -0.0569 0.0269 0.1162 +949 C ? CZ ? TYR A 138 CZ ? TYR A 1019 0.5203 1.0366 0.5398 -0.0812 0.0258 0.1308 +950 O ? OH ? TYR A 138 OH ? TYR A 1019 0.5454 1.0875 0.559 -0.1004 0.0247 0.1546 +951 N ? N ? ILE A 139 N ? ILE A 1020 0.2824 0.6761 0.3255 -0.0269 0.0255 0.0361 +952 C ? CA ? ILE A 139 CA ? ILE A 1020 0.2513 0.6392 0.2986 -0.0137 0.0256 0.0197 +953 C ? C ? ILE A 139 C ? ILE A 1020 0.2693 0.703 0.3197 -0.0016 0.0266 0.0157 +954 O ? O ? ILE A 139 O ? ILE A 1020 0.2676 0.7389 0.3192 -0.0095 0.0279 0.0257 +955 C ? CB ? ILE A 139 CB ? ILE A 1020 0.2894 0.6534 0.3376 -0.0249 0.0241 0.0158 +956 C ? CG1 ? ILE A 139 CG1 ? ILE A 1020 0.305 0.6855 0.353 -0.0461 0.0231 0.0282 +957 C ? CG2 ? ILE A 139 CG2 ? ILE A 1020 0.2975 0.6144 0.3415 -0.0255 0.0224 0.0119 +958 C ? CD1 ? ILE A 139 CD1 ? ILE A 1020 0.321 0.6951 0.371 -0.0545 0.0216 0.0232 +959 N ? N ? HIS A 140 N ? HIS A 1021 0.206 0.6375 0.2566 0.0177 0.0251 0.0016 +960 C ? CA ? HIS A 140 CA ? HIS A 1021 0.1951 0.664 0.2451 0.0341 0.0238 -0.0051 +961 C ? C ? HIS A 140 C ? HIS A 1021 0.2697 0.751 0.3218 0.0336 0.0225 -0.0102 +962 O ? O ? HIS A 140 O ? HIS A 1021 0.2861 0.8114 0.339 0.0366 0.0231 -0.0073 +963 C ? CB ? HIS A 140 CB ? HIS A 1021 0.194 0.6501 0.2401 0.0547 0.0199 -0.018 +964 C ? CG ? HIS A 140 CG ? HIS A 1021 0.2288 0.7216 0.2706 0.0746 0.0169 -0.0248 +965 N ? ND1 ? HIS A 140 ND1 ? HIS A 1021 0.2449 0.7424 0.2835 0.0875 0.012 -0.0363 +966 C ? CD2 ? HIS A 140 CD2 ? HIS A 1021 0.2495 0.7744 0.288 0.0851 0.0174 -0.0223 +967 C ? CE1 ? HIS A 140 CE1 ? HIS A 1021 0.2399 0.7708 0.2726 0.107 0.0091 -0.0416 +968 N ? NE2 ? HIS A 140 NE2 ? HIS A 1021 0.2452 0.796 0.2781 0.1061 0.0126 -0.0336 +969 N ? N ? ARG A 141 N ? ARG A 1022 0.2183 0.6647 0.2708 0.0311 0.0207 -0.0176 +970 C ? CA ? ARG A 141 CA ? ARG A 1022 0.2096 0.6606 0.2631 0.0307 0.0189 -0.023 +971 C ? C ? ARG A 141 C ? ARG A 1022 0.24 0.712 0.2891 0.0525 0.0141 -0.0338 +972 O ? O ? ARG A 141 O ? ARG A 1022 0.209 0.6913 0.2579 0.0541 0.0123 -0.0374 +973 C ? CB ? ARG A 141 CB ? ARG A 1022 0.2234 0.6963 0.2812 0.0118 0.0215 -0.0125 +974 C ? CG ? ARG A 141 CG ? ARG A 1022 0.3215 0.7689 0.3803 -0.0099 0.0234 -0.0022 +975 C ? CD ? ARG A 141 CD ? ARG A 1022 0.4367 0.9131 0.4982 -0.0292 0.0241 0.0101 +976 N ? NE ? ARG A 141 NE ? ARG A 1022 0.6017 1.085 0.6657 -0.0342 0.0226 0.0058 +977 C ? CZ ? ARG A 141 CZ ? ARG A 1022 0.7837 1.3113 0.8515 -0.0413 0.0227 0.0114 +978 N ? NH1 ? ARG A 141 NH1 ? ARG A 1022 0.5874 1.1597 0.6572 -0.0446 0.0245 0.0222 +979 N 1 NH2 ? ARG A 141 NH2 ? ARG A 1022 0.6617 1.1931 0.7314 -0.0452 0.0209 0.0068 +980 N ? N ? ASN A 142 N ? ASN A 1023 0.2103 0.6862 0.2541 0.0704 0.011 -0.04 +981 C ? CA ? ASN A 142 CA ? ASN A 1023 0.2151 0.705 0.2508 0.0942 0.0039 -0.052 +982 C ? C ? ASN A 142 C ? ASN A 1023 0.2547 0.718 0.2829 0.1088 -0.0023 -0.0613 +983 O ? O ? ASN A 142 O ? ASN A 1023 0.2606 0.7404 0.2803 0.1301 -0.0083 -0.0697 +984 C ? CB ? ASN A 142 CB ? ASN A 1023 0.2328 0.7821 0.2683 0.1035 0.0056 -0.0489 +985 C ? CG ? ASN A 142 CG ? ASN A 1023 0.5294 1.0997 0.5559 0.1289 -0.002 -0.0616 +986 O ? OD1 ? ASN A 142 OD1 ? ASN A 1023 0.4472 0.9887 0.4679 0.136 -0.0086 -0.0708 +987 N ? ND2 ? ASN A 142 ND2 ? ASN A 1023 0.4757 1.098 0.4995 0.144 -0.0017 -0.062 +988 N ? N ? LEU A 143 N ? LEU A 1024 0.2011 0.6245 0.2318 0.0977 -0.0015 -0.0601 +989 C ? CA ? LEU A 143 CA ? LEU A 1024 0.1936 0.5911 0.2188 0.1068 -0.0075 -0.0674 +990 C ? C ? LEU A 143 C ? LEU A 1024 0.2682 0.6376 0.2841 0.1167 -0.0181 -0.0786 +991 O ? O ? LEU A 143 O ? LEU A 1024 0.2621 0.6025 0.2796 0.1058 -0.019 -0.0782 +992 C ? CB ? LEU A 143 CB ? LEU A 1024 0.1797 0.5541 0.2115 0.092 -0.0026 -0.0609 +993 C ? CG ? LEU A 143 CG ? LEU A 1024 0.234 0.5879 0.2619 0.0993 -0.0082 -0.067 +994 C ? CD1 ? LEU A 143 CD1 ? LEU A 1024 0.2321 0.6116 0.2555 0.1135 -0.0096 -0.0685 +995 C ? CD2 ? LEU A 143 CD2 ? LEU A 1024 0.2535 0.5861 0.2882 0.0852 -0.0035 -0.0614 +996 N ? N ? ALA A 144 N ? ALA A 1025 0.2721 0.6512 0.2767 0.1383 -0.0271 -0.0885 +997 C ? CA ? ALA A 144 CA ? ALA A 1025 0.2901 0.6417 0.2807 0.1521 -0.0408 -0.1002 +998 C ? C ? ALA A 144 C ? ALA A 1025 0.3465 0.6989 0.3252 0.1725 -0.0504 -0.1103 +999 O ? O ? ALA A 144 O ? ALA A 1025 0.3335 0.7211 0.3147 0.1799 -0.0453 -0.1088 +1000 C ? CB ? ALA A 144 CB ? ALA A 1025 0.3016 0.6718 0.2874 0.1624 -0.0432 -0.1034 +1001 N ? N ? ALA A 145 N ? ALA A 1026 0.3349 0.6487 0.2996 0.1812 -0.0652 -0.1204 +1002 C ? CA ? ALA A 145 CA ? ALA A 1026 0.3525 0.6582 0.3025 0.201 -0.0778 -0.1323 +1003 C ? C ? ALA A 145 C ? ALA A 1026 0.4048 0.751 0.3455 0.2285 -0.0804 -0.1409 +1004 O ? O ? ALA A 145 O ? ALA A 1026 0.3949 0.7541 0.3299 0.2419 -0.0836 -0.1468 +1005 C ? CB ? ALA A 145 CB ? ALA A 1026 0.3936 0.6468 0.3273 0.2039 -0.0958 -0.141 +1006 N ? N ? ARG A 146 N ? ARG A 1027 0.3775 0.7479 0.3166 0.2375 -0.0788 -0.1416 +1007 C ? CA ? ARG A 146 CA ? ARG A 1027 0.3879 0.806 0.3187 0.2647 -0.0806 -0.1494 +1008 C ? C ? ARG A 146 C ? ARG A 1027 0.3816 0.8572 0.3266 0.2596 -0.0652 -0.1391 +1009 O ? O ? ARG A 146 O ? ARG A 1027 0.3695 0.8866 0.307 0.2824 -0.0671 -0.1456 +1010 C ? CB ? ARG A 146 CB ? ARG A 1027 0.4605 0.8904 0.3853 0.2764 -0.0843 -0.1532 +1011 C ? CG ? ARG A 146 CG ? ARG A 1027 0.6184 1.0859 0.5621 0.2573 -0.0683 -0.1389 +1012 C ? CD ? ARG A 146 CD ? ARG A 1027 0.7246 1.2597 0.6677 0.2767 -0.0647 -0.1409 +1013 N ? NE ? ARG A 146 NE ? ARG A 1027 0.8569 1.4143 0.8069 0.2703 -0.0599 -0.1355 +1014 C ? CZ ? ARG A 146 CZ ? ARG A 1027 0.9549 1.5574 0.9228 0.2507 -0.0455 -0.1212 +1015 N ? NH1 ? ARG A 146 NH1 ? ARG A 1027 0.8075 1.428 0.7802 0.2456 -0.0431 -0.1178 +1016 N 1 NH2 ? ARG A 146 NH2 ? ARG A 1027 0.5773 1.2057 0.5571 0.2353 -0.0345 -0.1097 +1017 N ? N ? ASN A 147 N ? ASN A 1028 0.3052 0.7816 0.2688 0.2302 -0.0512 -0.123 +1018 C ? CA ? ASN A 147 CA ? ASN A 1028 0.2728 0.7941 0.2494 0.2193 -0.0373 -0.1097 +1019 C ? C ? ASN A 147 C ? ASN A 1028 0.332 0.8435 0.3096 0.2163 -0.0362 -0.1079 +1020 O ? O ? ASN A 147 O ? ASN A 1028 0.3154 0.8608 0.3011 0.2084 -0.0262 -0.0965 +1021 C ? CB ? ASN A 147 CB ? ASN A 1028 0.1854 0.7125 0.1783 0.1915 -0.025 -0.094 +1022 C ? CG ? ASN A 147 CG ? ASN A 1028 0.3585 0.9054 0.3509 0.1955 -0.0257 -0.0955 +1023 O ? OD1 ? ASN A 147 OD1 ? ASN A 1028 0.3048 0.8966 0.2917 0.2148 -0.0277 -0.1003 +1024 N ? ND2 ? ASN A 147 ND2 ? ASN A 1028 0.2553 0.7708 0.2524 0.1798 -0.025 -0.0927 +1025 N ? N ? VAL A 148 N ? VAL A 1029 0.3038 0.7696 0.272 0.2221 -0.0474 -0.1185 +1026 C ? CA ? VAL A 148 CA ? VAL A 1029 0.3063 0.761 0.2741 0.221 -0.0486 -0.1189 +1027 C ? C ? VAL A 148 C ? VAL A 1029 0.3906 0.8511 0.3398 0.2509 -0.0622 -0.1358 +1028 O ? O ? VAL A 148 O ? VAL A 1029 0.405 0.8349 0.3393 0.2652 -0.077 -0.1498 +1029 C ? CB ? VAL A 148 CB ? VAL A 1029 0.3504 0.7539 0.3235 0.2013 -0.0504 -0.1165 +1030 C ? CG1 ? VAL A 148 CG1 ? VAL A 1029 0.3441 0.7441 0.318 0.2006 -0.0509 -0.1162 +1031 C ? CG2 ? VAL A 148 CG2 ? VAL A 1029 0.3293 0.7277 0.3182 0.1757 -0.0381 -0.1022 +1032 N ? N ? LEU A 149 N ? LEU A 1030 0.3546 0.8537 0.3032 0.2608 -0.0581 -0.1344 +1033 C ? CA ? LEU A 149 CA ? LEU A 1030 0.3827 0.895 0.3132 0.2912 -0.0702 -0.1507 +1034 C ? C ? LEU A 149 C ? LEU A 1030 0.4526 0.9418 0.3795 0.2906 -0.0758 -0.1548 +1035 O ? O ? LEU A 149 O ? LEU A 1030 0.4203 0.8961 0.361 0.2673 -0.0673 -0.1425 +1036 C ? CB ? LEU A 149 CB ? LEU A 1030 0.3797 0.9631 0.3101 0.3065 -0.0621 -0.1472 +1037 C ? CG ? LEU A 149 CG ? LEU A 1030 0.4314 1.0504 0.3683 0.3043 -0.0546 -0.1404 +1038 C ? CD1 ? LEU A 149 CD1 ? LEU A 1030 0.4188 1.1067 0.3661 0.2988 -0.0401 -0.1249 +1039 C ? CD2 ? LEU A 149 CD2 ? LEU A 1030 0.4717 1.0926 0.3906 0.335 -0.0684 -0.1592 +1040 N ? N ? LEU A 150 N ? LEU A 1031 0.4393 0.9228 0.3465 0.3173 -0.0914 -0.1732 +1041 C ? CA ? LEU A 150 CA ? LEU A 1031 0.4531 0.9164 0.3546 0.3192 -0.0992 -0.1794 +1042 C ? C ? LEU A 150 C ? LEU A 1031 0.5165 1.0252 0.4064 0.3463 -0.1016 -0.188 +1043 O ? O ? LEU A 150 O ? LEU A 1031 0.5231 1.0485 0.3958 0.3752 -0.1114 -0.203 +1044 C ? CB ? LEU A 150 CB ? LEU A 1031 0.4856 0.886 0.3712 0.3232 -0.1204 -0.1953 +1045 C ? CG ? LEU A 150 CG ? LEU A 1031 0.5402 0.8907 0.4333 0.2977 -0.122 -0.1889 +1046 C ? CD1 ? LEU A 150 CD1 ? LEU A 1031 0.5766 0.8703 0.4494 0.3043 -0.1457 -0.2046 +1047 C ? CD2 ? LEU A 150 CD2 ? LEU A 1031 0.5331 0.879 0.4475 0.2675 -0.1087 -0.1724 +1048 N ? N ? ASP A 151 N ? ASP A 1032 0.4594 0.988 0.3568 0.3392 -0.0938 -0.1796 +1049 C ? CA ? ASP A 151 CA ? ASP A 1032 0.4665 1.0386 0.352 0.3645 -0.0963 -0.1874 +1050 C ? C ? ASP A 151 C ? ASP A 1032 0.5569 1.0885 0.422 0.3827 -0.1182 -0.2098 +1051 O ? O ? ASP A 151 O ? ASP A 1032 0.5693 1.0422 0.4309 0.3725 -0.13 -0.2162 +1052 C ? CB ? ASP A 151 CB ? ASP A 1032 0.466 1.0777 0.3659 0.3504 -0.0798 -0.1682 +1053 C ? CG ? ASP A 151 CG ? ASP A 1032 0.5846 1.1656 0.4912 0.3337 -0.0801 -0.1635 +1054 O ? OD1 ? ASP A 151 OD1 ? ASP A 1032 0.6112 1.1395 0.5139 0.3287 -0.0925 -0.1738 +1055 O -1 OD2 ? ASP A 151 OD2 ? ASP A 1032 0.6305 1.2418 0.5457 0.3254 -0.0683 -0.1486 +1056 N ? N ? ASN A 152 N ? ASN A 1033 0.529 1.091 0.3802 0.4075 -0.1241 -0.2208 +1057 C ? CA ? ASN A 152 CA ? ASN A 1033 0.5606 1.087 0.3899 0.4266 -0.1463 -0.2433 +1058 C ? C ? ASN A 152 C ? ASN A 1033 0.6191 1.0876 0.4529 0.4032 -0.1546 -0.2428 +1059 O ? O ? ASN A 152 O ? ASN A 1033 0.6516 1.071 0.4672 0.4113 -0.1764 -0.2607 +1060 C ? CB ? ASN A 152 CB ? ASN A 1033 0.5703 1.147 0.3862 0.4555 -0.1485 -0.2529 +1061 C ? CG ? ASN A 152 CG ? ASN A 1033 0.7325 1.3591 0.5348 0.488 -0.1492 -0.2625 +1062 O ? OD1 ? ASN A 152 OD1 ? ASN A 1033 0.6601 1.3563 0.4667 0.4974 -0.1359 -0.2539 +1063 N ? ND2 ? ASN A 152 ND2 ? ASN A 1033 0.5943 1.1886 0.3795 0.5057 -0.1652 -0.2798 +1064 N ? N ? ASP A 153 N ? ASP A 1034 0.5427 1.0164 0.3994 0.3742 -0.1384 -0.2226 +1065 C ? CA ? ASP A 153 CA ? ASP A 1034 0.5386 0.9676 0.4023 0.3512 -0.1441 -0.2202 +1066 C ? C ? ASP A 153 C ? ASP A 1034 0.5718 0.9589 0.4473 0.3249 -0.1422 -0.2116 +1067 O ? O ? ASP A 153 O ? ASP A 1034 0.5744 0.9355 0.4612 0.3013 -0.1415 -0.2043 +1068 C ? CB ? ASP A 153 CB ? ASP A 1034 0.5355 0.9948 0.4149 0.3388 -0.1294 -0.205 +1069 C ? CG ? ASP A 153 CG ? ASP A 1034 0.6203 1.1243 0.4886 0.3632 -0.1303 -0.2114 +1070 O ? OD1 ? ASP A 153 OD1 ? ASP A 1034 0.6195 1.1703 0.4981 0.3607 -0.1132 -0.1953 +1071 O -1 OD2 ? ASP A 153 OD2 ? ASP A 1034 0.6398 1.1307 0.4876 0.3844 -0.149 -0.2321 +1072 N ? N ? ARG A 154 N ? ARG A 1035 0.5211 0.9047 0.393 0.3303 -0.142 -0.213 +1073 C ? CA ? ARG A 154 CA ? ARG A 1035 0.4995 0.8497 0.3807 0.3087 -0.1394 -0.2048 +1074 C ? C ? ARG A 154 C ? ARG A 1035 0.4953 0.8631 0.4025 0.2816 -0.1176 -0.1825 +1075 O ? O ? ARG A 154 O ? ARG A 1035 0.4869 0.8236 0.4046 0.2582 -0.116 -0.175 +1076 C ? CB ? ARG A 154 CB ? ARG A 1035 0.5247 0.8127 0.3961 0.2978 -0.1591 -0.2138 +1077 C ? CG ? ARG A 154 CG ? ARG A 1035 0.6707 0.9269 0.513 0.3226 -0.1842 -0.236 +1078 C ? CD ? ARG A 154 CD ? ARG A 1035 0.824 1.0208 0.6584 0.3053 -0.2034 -0.2409 +1079 N ? NE ? ARG A 154 NE ? ARG A 1035 1.0408 1.1902 0.8468 0.3216 -0.229 -0.2585 +1080 C ? CZ ? ARG A 154 CZ ? ARG A 1035 1.2956 1.3857 1.0907 0.3051 -0.2485 -0.2614 +1081 N ? NH1 ? ARG A 154 NH1 ? ARG A 1035 1.1688 1.2461 0.9814 0.2715 -0.244 -0.2479 +1082 N 1 NH2 ? ARG A 154 NH2 ? ARG A 1035 1.1615 1.2054 0.9275 0.322 -0.2733 -0.2774 +1083 N ? N ? LEU A 155 N ? LEU A 1036 0.4199 0.837 0.3359 0.2849 -0.102 -0.1718 +1084 C ? CA ? LEU A 155 CA ? LEU A 1036 0.3852 0.8155 0.3222 0.2613 -0.0833 -0.1511 +1085 C ? C ? LEU A 155 C ? LEU A 1036 0.3944 0.8398 0.3386 0.2554 -0.0726 -0.1417 +1086 O ? O ? LEU A 155 O ? LEU A 1036 0.3973 0.8775 0.3346 0.2724 -0.0713 -0.1447 +1087 C ? CB ? LEU A 155 CB ? LEU A 1036 0.3772 0.8456 0.319 0.2634 -0.0735 -0.1416 +1088 C ? CG ? LEU A 155 CG ? LEU A 1036 0.4522 0.9087 0.3905 0.2655 -0.0817 -0.1478 +1089 C ? CD1 ? LEU A 155 CD1 ? LEU A 1036 0.4527 0.9527 0.391 0.2743 -0.0737 -0.1405 +1090 C ? CD2 ? LEU A 155 CD2 ? LEU A 1036 0.4636 0.8871 0.4151 0.2413 -0.0798 -0.1406 +1091 N ? N ? VAL A 156 N ? VAL A 1037 0.2972 0.7186 0.2547 0.2319 -0.0657 -0.1313 +1092 C ? CA ? VAL A 156 CA ? VAL A 1037 0.2626 0.6917 0.2283 0.2219 -0.0561 -0.122 +1093 C ? C ? VAL A 156 C ? VAL A 1037 0.3027 0.7817 0.2742 0.2225 -0.0425 -0.1091 +1094 O ? O ? VAL A 156 O ? VAL A 1037 0.2974 0.7944 0.2739 0.2176 -0.0352 -0.0991 +1095 C ? CB ? VAL A 156 CB ? VAL A 1037 0.2743 0.669 0.2526 0.1967 -0.0514 -0.1134 +1096 C ? CG1 ? VAL A 156 CG1 ? VAL A 1037 0.2406 0.6504 0.2312 0.1815 -0.0371 -0.0985 +1097 C ? CG2 ? VAL A 156 CG2 ? VAL A 1037 0.2831 0.6368 0.2542 0.1955 -0.0644 -0.124 +1098 N ? N ? LYS A 157 N ? LYS A 1038 0.2666 0.7689 0.2365 0.2284 -0.0401 -0.1088 +1099 C ? CA ? LYS A 157 CA ? LYS A 1038 0.2552 0.8082 0.2307 0.226 -0.0283 -0.0955 +1100 C ? C ? LYS A 157 C ? LYS A 1038 0.3064 0.8582 0.2892 0.2134 -0.0232 -0.0894 +1101 O ? O ? LYS A 157 O ? LYS A 1038 0.3147 0.8748 0.2902 0.2278 -0.0291 -0.0995 +1102 C ? CB ? LYS A 157 CB ? LYS A 1038 0.2953 0.8967 0.2582 0.2534 -0.0323 -0.1042 +1103 C ? CG ? LYS A 157 CG ? LYS A 1038 0.3748 0.9858 0.3298 0.2668 -0.0365 -0.1092 +1104 C ? CD ? LYS A 157 CD ? LYS A 1038 0.3661 0.9947 0.3314 0.2491 -0.0243 -0.0895 +1105 C ? CE ? LYS A 157 CE ? LYS A 1038 0.3424 0.9841 0.2995 0.2633 -0.0284 -0.0942 +1106 N 1 NZ ? LYS A 157 NZ ? LYS A 1038 0.3334 0.9955 0.2984 0.2476 -0.017 -0.0734 +1107 N ? N ? ILE A 158 N ? ILE A 1039 0.2451 0.7838 0.2408 0.1878 -0.0135 -0.0741 +1108 C ? CA ? ILE A 158 CA ? ILE A 1039 0.2252 0.7614 0.2283 0.1734 -0.0086 -0.0677 +1109 C ? C ? ILE A 158 C ? ILE A 1039 0.2773 0.87 0.281 0.1771 -0.0031 -0.0606 +1110 O ? O ? ILE A 158 O ? ILE A 1039 0.2774 0.9047 0.2838 0.1715 0.0038 -0.0477 +1111 C ? CB ? ILE A 158 CB ? ILE A 1039 0.2397 0.7456 0.2541 0.1469 -0.0013 -0.0549 +1112 C ? CG1 ? ILE A 158 CG1 ? ILE A 1039 0.2364 0.6926 0.2507 0.1443 -0.0072 -0.0634 +1113 C ? CG2 ? ILE A 158 CG2 ? ILE A 1039 0.2441 0.7543 0.2652 0.1319 0.0039 -0.0475 +1114 C ? CD1 ? ILE A 158 CD1 ? ILE A 1039 0.2181 0.649 0.241 0.1251 -0.0011 -0.0532 +1115 N ? N ? GLY A 159 N ? GLY A 1040 0.2413 0.8446 0.2418 0.1866 -0.0068 -0.0686 +1116 C ? CA ? GLY A 159 CA ? GLY A 1040 0.245 0.9068 0.2465 0.1914 -0.0025 -0.0633 +1117 C ? C ? GLY A 159 C ? GLY A 1040 0.2833 0.945 0.2934 0.1741 0.0018 -0.0562 +1118 O ? O ? GLY A 159 O ? GLY A 1040 0.2589 0.8758 0.2752 0.1554 0.0032 -0.0528 +1119 N ? N ? ASP A 160 N ? ASP A 1041 0.2349 0.951 0.2451 0.1815 0.0036 -0.0546 +1120 C ? CA ? ASP A 160 CA ? ASP A 1041 0.2238 0.9551 0.2419 0.1672 0.0073 -0.0478 +1121 C ? C ? ASP A 160 C ? ASP A 1041 0.2868 0.9942 0.3169 0.1321 0.0149 -0.0306 +1122 O ? O ? ASP A 160 O ? ASP A 1041 0.2915 0.952 0.3244 0.1212 0.0135 -0.0333 +1123 C ? CB ? ASP A 160 CB ? ASP A 1041 0.2529 0.9631 0.2641 0.1839 -0.0014 -0.0642 +1124 C ? CG ? ASP A 160 CG ? ASP A 1041 0.3236 1.0715 0.3404 0.1789 0.0013 -0.06 +1125 O ? OD1 ? ASP A 160 OD1 ? ASP A 1041 0.2903 1.0717 0.3183 0.1555 0.0101 -0.0429 +1126 O -1 OD2 ? ASP A 160 OD2 ? ASP A 1041 0.3666 1.1084 0.3756 0.1975 -0.0064 -0.0734 +1127 N ? N ? PHE A 161 N ? PHE A 1042 0.2514 0.993 0.287 0.115 0.0221 -0.0128 +1128 C ? CA ? PHE A 161 CA ? PHE A 1042 0.2498 0.9727 0.2936 0.0821 0.0275 0.005 +1129 C ? C ? PHE A 161 C ? PHE A 1042 0.2799 1.0385 0.3306 0.0654 0.0302 0.0145 +1130 O ? O ? PHE A 161 O ? PHE A 1042 0.2647 1.0237 0.3206 0.0371 0.0337 0.0319 +1131 C ? CB ? PHE A 161 CB ? PHE A 1042 0.2823 1.0146 0.3254 0.0717 0.0315 0.0202 +1132 C ? CG ? PHE A 161 CG ? PHE A 1042 0.3052 0.9902 0.3434 0.0813 0.0288 0.0123 +1133 C ? CD1 ? PHE A 161 CD1 ? PHE A 1042 0.3514 0.983 0.3917 0.0639 0.0295 0.0178 +1134 C ? CD2 ? PHE A 161 CD2 ? PHE A 1042 0.3254 1.0192 0.3562 0.1089 0.0246 -0.002 +1135 C ? CE1 ? PHE A 161 CE1 ? PHE A 1042 0.3568 0.9502 0.3935 0.0732 0.027 0.0104 +1136 C ? CE2 ? PHE A 161 CE2 ? PHE A 1042 0.3629 1.0145 0.3899 0.1161 0.0213 -0.0095 +1137 C ? CZ ? PHE A 161 CZ ? PHE A 1042 0.3389 0.943 0.3697 0.0978 0.023 -0.0028 +1138 N ? N ? GLY A 162 N ? GLY A 1043 0.2395 1.0247 0.2889 0.0834 0.0271 0.0025 +1139 C ? CA ? GLY A 162 CA ? GLY A 1043 0.2447 1.0681 0.3003 0.0725 0.0285 0.008 +1140 C ? C ? GLY A 162 C ? GLY A 1043 0.3142 1.0944 0.3758 0.0458 0.029 0.0136 +1141 O ? O ? GLY A 162 O ? GLY A 1043 0.2981 1.1066 0.3663 0.0234 0.0313 0.0266 +1142 N ? N ? LEU A 163 N ? LEU A 1044 0.3068 1.02 0.3656 0.0474 0.0262 0.0041 +1143 C ? CA ? LEU A 163 CA ? LEU A 1044 0.3114 0.9791 0.3739 0.0254 0.0261 0.0071 +1144 C ? C ? LEU A 163 C ? LEU A 1044 0.3696 1.0003 0.4325 0.0042 0.0283 0.019 +1145 O ? O ? LEU A 163 O ? LEU A 1044 0.3753 0.9747 0.4401 -0.016 0.0279 0.0237 +1146 C ? CB ? LEU A 163 CB ? LEU A 1044 0.3093 0.9301 0.368 0.0394 0.0217 -0.0096 +1147 C ? CG ? LEU A 163 CG ? LEU A 1044 0.3803 1.0137 0.4387 0.0476 0.0183 -0.0184 +1148 C ? CD1 ? LEU A 163 CD1 ? LEU A 1044 0.406 1.0767 0.4719 0.0268 0.021 -0.0072 +1149 C ? CD2 ? LEU A 163 CD2 ? LEU A 1044 0.39 1.0496 0.4409 0.0789 0.0134 -0.0313 +1150 N ? N ? ALA A 164 N ? ALA A 1045 0.3147 0.9478 0.3743 0.0104 0.0297 0.023 +1151 C ? CA ? ALA A 164 CA ? ALA A 1045 0.3044 0.9012 0.3622 -0.0054 0.0307 0.0336 +1152 C ? C ? ALA A 164 C ? ALA A 1045 0.3419 0.9394 0.4013 -0.0364 0.031 0.0519 +1153 O ? O ? ALA A 164 O ? ALA A 1045 0.3303 0.9771 0.3931 -0.0475 0.0321 0.0623 +1154 C ? CB ? ALA A 164 CB ? ALA A 1045 0.3129 0.9245 0.3667 0.0069 0.0319 0.0363 +1155 N ? N ? LYS A 165 N ? LYS A 1046 0.2847 0.827 0.3406 -0.0501 0.029 0.0552 +1156 C ? CA ? LYS A 165 CA ? LYS A 1046 0.286 0.8126 0.3395 -0.0795 0.0262 0.0709 +1157 C ? C ? LYS A 165 C ? LYS A 1046 0.3589 0.8362 0.404 -0.0861 0.0236 0.0775 +1158 O ? O ? LYS A 165 O ? LYS A 1046 0.3523 0.7964 0.3953 -0.0694 0.024 0.0661 +1159 C ? CB ? LYS A 165 CB ? LYS A 1046 0.2925 0.7953 0.3479 -0.0898 0.0234 0.0641 +1160 C ? CG ? LYS A 165 CG ? LYS A 1046 0.3933 0.9409 0.456 -0.0855 0.0247 0.0582 +1161 C ? CD ? LYS A 165 CD ? LYS A 1046 0.5024 1.1036 0.5688 -0.1066 0.0245 0.0748 +1162 C ? CE ? LYS A 165 CE ? LYS A 1046 0.6319 1.2871 0.7053 -0.095 0.0263 0.0675 +1163 N 1 NZ ? LYS A 165 NZ ? LYS A 1046 0.8069 1.5164 0.8851 -0.1182 0.0258 0.0835 +1164 N ? N ? ALA A 166 N ? ALA A 1047 0.3483 0.8193 0.3877 -0.1113 0.0198 0.0961 +1165 C ? CA ? ALA A 166 CA ? ALA A 1047 0.385 0.8039 0.4134 -0.119 0.0149 0.1035 +1166 C ? C ? ALA A 166 C ? ALA A 1047 0.4933 0.856 0.5169 -0.1255 0.0094 0.0946 +1167 O ? O ? ALA A 166 O ? ALA A 1047 0.5073 0.8734 0.5323 -0.1424 0.0063 0.0966 +1168 C ? CB ? ALA A 166 CB ? ALA A 1047 0.4212 0.8537 0.4428 -0.1448 0.011 0.1282 +1169 N ? N ? VAL A 167 N ? VAL A 1048 0.4692 0.7847 0.4873 -0.111 0.008 0.084 +1170 C ? CA ? VAL A 167 CA ? VAL A 1048 0.4875 0.7519 0.4991 -0.1144 0.0025 0.0749 +1171 C ? C ? VAL A 167 C ? VAL A 1048 0.6084 0.8376 0.6053 -0.1373 -0.0074 0.0909 +1172 O ? O ? VAL A 167 O ? VAL A 1048 0.6274 0.841 0.6156 -0.136 -0.0099 0.1004 +1173 C ? CB ? VAL A 167 CB ? VAL A 1048 0.5254 0.7577 0.536 -0.0909 0.0041 0.0582 +1174 C ? CG1 ? VAL A 167 CG1 ? VAL A 1048 0.536 0.7209 0.5386 -0.0936 -0.0019 0.0492 +1175 C ? CG2 ? VAL A 167 CG2 ? VAL A 1048 0.4878 0.7514 0.511 -0.0716 0.0117 0.0445 +1176 N ? N ? PRO A 168 N ? PRO A 1049 0.6038 0.8203 0.5966 -0.1592 -0.0142 0.095 +1177 C ? CA ? PRO A 168 CA ? PRO A 1049 0.6566 0.8349 0.6327 -0.1836 -0.0263 0.1112 +1178 C ? C ? PRO A 168 C ? PRO A 1049 0.7592 0.8729 0.7183 -0.1726 -0.034 0.1067 +1179 O ? O ? PRO A 168 O ? PRO A 1049 0.7325 0.8217 0.6915 -0.1519 -0.0324 0.0878 +1180 C ? CB ? PRO A 168 CB ? PRO A 1049 0.6913 0.8631 0.6666 -0.2041 -0.0326 0.1098 +1181 C ? CG ? PRO A 168 CG ? PRO A 1049 0.7017 0.9281 0.6957 -0.195 -0.0222 0.0998 +1182 C ? CD ? PRO A 168 CD ? PRO A 1049 0.6099 0.844 0.6115 -0.1633 -0.0126 0.0852 +1183 N ? N ? GLU A 169 N ? GLU A 1050 0.7823 0.8716 0.7264 -0.1855 -0.0423 0.1247 +1184 C ? CA ? GLU A 169 CA ? GLU A 1050 0.8249 0.852 0.7495 -0.1749 -0.0516 0.1229 +1185 C ? C ? GLU A 169 C ? GLU A 1050 0.8996 0.8686 0.8096 -0.1777 -0.0635 0.1113 +1186 O ? O ? GLU A 169 O ? GLU A 1050 0.9156 0.8728 0.8192 -0.2037 -0.0726 0.119 +1187 C ? CB ? GLU A 169 CB ? GLU A 1050 0.8876 0.9021 0.7976 -0.1923 -0.0597 0.1476 +1188 C ? CG ? GLU A 169 CG ? GLU A 1050 1.0806 1.0811 0.9842 -0.1692 -0.0579 0.1474 +1189 C ? CD ? GLU A 169 CD ? GLU A 1050 1.3614 1.4243 1.2836 -0.1537 -0.0428 0.1469 +1190 O ? OE1 ? GLU A 169 OE1 ? GLU A 1050 1.2618 1.3672 1.1882 -0.1692 -0.0398 0.1655 +1191 O -1 OE2 ? GLU A 169 OE2 ? GLU A 1050 1.2878 1.3576 1.2194 -0.1261 -0.0349 0.1281 +1192 N ? N ? GLY A 170 N ? GLY A 1051 0.8546 0.7929 0.7601 -0.1504 -0.0633 0.0923 +1193 C ? CA ? GLY A 170 CA ? GLY A 1051 0.8771 0.7646 0.7686 -0.1454 -0.0734 0.0771 +1194 C ? C ? GLY A 170 C ? GLY A 1051 0.8748 0.7898 0.782 -0.1401 -0.0652 0.0601 +1195 O ? O ? GLY A 170 O ? GLY A 1051 0.8877 0.7692 0.7847 -0.1403 -0.0732 0.0484 +1196 N ? N ? HIS A 171 N ? HIS A 1052 0.77 0.7447 0.7002 -0.1347 -0.0502 0.0585 +1197 C ? CA ? HIS A 171 CA ? HIS A 1052 0.7284 0.7334 0.674 -0.1286 -0.0418 0.0441 +1198 C ? C ? HIS A 171 C ? HIS A 1052 0.7127 0.7481 0.6731 -0.103 -0.029 0.033 +1199 O ? O ? HIS A 171 O ? HIS A 1052 0.6869 0.7423 0.6523 -0.0964 -0.0239 0.0402 +1200 C ? CB ? HIS A 171 CB ? HIS A 1052 0.729 0.7771 0.6863 -0.1516 -0.039 0.0543 +1201 C ? CG ? HIS A 171 CG ? HIS A 1052 0.8185 0.8399 0.7626 -0.1799 -0.0523 0.0644 +1202 N ? ND1 ? HIS A 171 ND1 ? HIS A 1052 0.8752 0.8908 0.8104 -0.203 -0.0599 0.0859 +1203 C ? CD2 ? HIS A 171 CD2 ? HIS A 1052 0.8624 0.8613 0.8002 -0.1892 -0.0599 0.0559 +1204 C ? CE1 ? HIS A 171 CE1 ? HIS A 1052 0.9054 0.8938 0.8291 -0.2271 -0.0726 0.0903 +1205 N ? NE2 ? HIS A 171 NE2 ? HIS A 1052 0.9034 0.8806 0.8282 -0.2192 -0.0732 0.0719 +1206 N ? N ? GLU A 172 N ? GLU A 1053 0.6519 0.6902 0.6181 -0.0893 -0.0247 0.016 +1207 C ? CA ? GLU A 172 CA ? GLU A 1053 0.6094 0.6732 0.5884 -0.0676 -0.0144 0.0057 +1208 C ? C ? GLU A 172 C ? GLU A 1053 0.5835 0.6959 0.5799 -0.0698 -0.0055 0.0054 +1209 O ? O ? GLU A 172 O ? GLU A 1053 0.5474 0.6824 0.5536 -0.055 0.0016 0 +1210 C ? CB ? GLU A 172 CB ? GLU A 1053 0.635 0.6761 0.6091 -0.0507 -0.0153 -0.0112 +1211 C ? CG ? GLU A 172 CG ? GLU A 1053 0.801 0.8529 0.781 -0.029 -0.0091 -0.0179 +1212 C ? CD ? GLU A 172 CD ? GLU A 1053 1.1729 1.1991 1.1433 -0.0112 -0.0123 -0.0305 +1213 O ? OE1 ? GLU A 172 OE1 ? GLU A 1053 1.1738 1.1936 1.1416 -0.0089 -0.0134 -0.0412 +1214 O -1 OE2 ? GLU A 172 OE2 ? GLU A 1053 1.1187 1.1362 1.0845 0.0021 -0.0132 -0.0302 +1215 N ? N ? TYR A 173 N ? TYR A 1054 0.5129 0.641 0.5118 -0.088 -0.0072 0.0115 +1216 C ? CA ? TYR A 173 CA ? TYR A 1054 0.4619 0.6358 0.475 -0.0884 -0.0004 0.0108 +1217 C ? C ? TYR A 173 C ? TYR A 1054 0.4818 0.6847 0.4977 -0.1089 -0.002 0.0248 +1218 O ? O ? TYR A 173 O ? TYR A 1054 0.483 0.6675 0.4896 -0.1278 -0.0095 0.0357 +1219 C ? CB ? TYR A 173 CB ? TYR A 1054 0.4621 0.6356 0.4787 -0.0828 0.0012 -0.003 +1220 C ? CG ? TYR A 173 CG ? TYR A 1054 0.5077 0.6606 0.5164 -0.0983 -0.0061 -0.0041 +1221 C ? CD1 ? TYR A 173 CD1 ? TYR A 1054 0.5593 0.669 0.5552 -0.095 -0.0123 -0.012 +1222 C ? CD2 ? TYR A 173 CD2 ? TYR A 1054 0.5173 0.6957 0.5305 -0.1152 -0.0075 0.0019 +1223 C ? CE1 ? TYR A 173 CE1 ? TYR A 1054 0.5977 0.6854 0.5843 -0.1087 -0.0207 -0.0144 +1224 C ? CE2 ? TYR A 173 CE2 ? TYR A 1054 0.5548 0.7139 0.5602 -0.1311 -0.0154 0.0009 +1225 C ? CZ ? TYR A 173 CZ ? TYR A 1054 0.6895 0.8011 0.681 -0.1279 -0.0224 -0.0076 +1226 O ? OH ? TYR A 173 OH ? TYR A 1054 0.735 0.8252 0.7171 -0.1427 -0.0316 -0.0102 +1227 N ? N ? TYR A 174 N ? TYR A 1055 0.4102 0.6594 0.438 -0.1049 0.0041 0.0243 +1228 C ? CA ? TYR A 174 CA ? TYR A 1055 0.4028 0.693 0.4357 -0.1209 0.004 0.0355 +1229 C ? C ? TYR A 174 C ? TYR A 1055 0.4157 0.7198 0.4537 -0.1232 0.004 0.027 +1230 O ? O ? TYR A 174 O ? TYR A 1055 0.3838 0.692 0.4265 -0.1056 0.008 0.0143 +1231 C ? CB ? TYR A 174 CB ? TYR A 1055 0.4 0.7369 0.4409 -0.1102 0.0102 0.0402 +1232 C ? CG ? TYR A 174 CG ? TYR A 1055 0.3997 0.7917 0.4486 -0.1174 0.0121 0.0457 +1233 C ? CD1 ? TYR A 174 CD1 ? TYR A 1055 0.4336 0.8513 0.4819 -0.1404 0.0094 0.0631 +1234 C ? CD2 ? TYR A 174 CD2 ? TYR A 1055 0.3818 0.8019 0.438 -0.1012 0.0157 0.0342 +1235 C ? CE1 ? TYR A 174 CE1 ? TYR A 1055 0.4143 0.8902 0.4708 -0.1466 0.0112 0.0683 +1236 C ? CE2 ? TYR A 174 CE2 ? TYR A 1055 0.3843 0.8577 0.447 -0.1048 0.0168 0.0381 +1237 C ? CZ ? TYR A 174 CZ ? TYR A 1055 0.4868 0.9914 0.5505 -0.1271 0.0151 0.0549 +1238 O ? OH ? TYR A 174 OH ? TYR A 1055 0.5135 1.0781 0.5844 -0.13 0.0165 0.0588 +1239 N ? N ? ARG A 175 N ? ARG A 1056 0.3821 0.6933 0.4185 -0.1457 -0.0013 0.0347 +1240 C ? CA ? ARG A 175 CA ? ARG A 1056 0.3639 0.6914 0.4047 -0.1499 -0.0021 0.0279 +1241 C ? C ? ARG A 175 C ? ARG A 1056 0.3901 0.7789 0.4426 -0.1424 0.0036 0.0293 +1242 O ? O ? ARG A 175 O ? ARG A 1056 0.3664 0.7943 0.4226 -0.1547 0.0037 0.0426 +1243 C ? CB ? ARG A 175 CB ? ARG A 1056 0.3717 0.6833 0.4056 -0.1778 -0.0114 0.0355 +1244 C ? CG ? ARG A 175 CG ? ARG A 1056 0.4899 0.8288 0.5293 -0.1865 -0.013 0.0315 +1245 C ? CD ? ARG A 175 CD ? ARG A 1056 0.5993 0.9052 0.6287 -0.2098 -0.0239 0.0326 +1246 N ? NE ? ARG A 175 NE ? ARG A 1056 0.8479 1.1283 0.8669 -0.233 -0.0327 0.0476 +1247 C ? CZ ? ARG A 175 CZ ? ARG A 1056 1.0705 1.2905 1.0744 -0.2327 -0.0397 0.0456 +1248 N ? NH1 ? ARG A 175 NH1 ? ARG A 1056 0.8511 1.0356 0.8499 -0.2102 -0.0378 0.0289 +1249 N 1 NH2 ? ARG A 175 NH2 ? ARG A 1056 1.0028 1.1987 0.9955 -0.2546 -0.0491 0.0608 +1250 N ? N ? VAL A 176 N ? VAL A 1057 0.3443 0.7416 0.4012 -0.1216 0.0076 0.0159 +1251 C ? CA ? VAL A 176 CA ? VAL A 1057 0.3311 0.7809 0.3958 -0.1095 0.0112 0.0143 +1252 C ? C ? VAL A 176 C ? VAL A 1057 0.4261 0.9105 0.4952 -0.1219 0.0087 0.0162 +1253 O ? O ? VAL A 176 O ? VAL A 1057 0.4288 0.8912 0.4954 -0.1288 0.0054 0.0102 +1254 C ? CB ? VAL A 176 CB ? VAL A 1057 0.3529 0.8005 0.4184 -0.081 0.0148 0.002 +1255 C ? CG1 ? VAL A 176 CG1 ? VAL A 1057 0.3497 0.7471 0.41 -0.0734 0.0153 -0.0041 +1256 C ? CG2 ? VAL A 176 CG2 ? VAL A 1057 0.3357 0.7987 0.403 -0.0696 0.0141 -0.0081 +1257 N ? N ? ARG A 177 N ? ARG A 1058 0.42 0.9617 0.4953 -0.1256 0.0101 0.0252 +1258 C ? CA ? ARG A 177 CA ? ARG A 1058 0.4374 1.0255 0.5184 -0.1372 0.008 0.0288 +1259 C ? C ? ARG A 177 C ? ARG A 1058 0.4973 1.1145 0.5813 -0.1109 0.0101 0.0162 +1260 O ? O ? ARG A 177 O ? ARG A 1058 0.5147 1.1877 0.6033 -0.1002 0.012 0.0184 +1261 C ? CB ? ARG A 177 CB ? ARG A 1058 0.45 1.0918 0.536 -0.1544 0.0084 0.0462 +1262 C ? CG ? ARG A 177 CG ? ARG A 1058 0.6027 1.2231 0.6848 -0.1894 0.0025 0.0614 +1263 C ? CD ? ARG A 177 CD ? ARG A 1058 0.7006 1.3542 0.784 -0.2027 0.0038 0.08 +1264 N ? NE ? ARG A 177 NE ? ARG A 1058 0.8002 1.5372 0.8933 -0.2006 0.0074 0.0867 +1265 C ? CZ ? ARG A 177 CZ ? ARG A 1058 1.0386 1.8184 1.1348 -0.1792 0.0135 0.0868 +1266 N ? NH1 ? ARG A 177 NH1 ? ARG A 1058 0.8983 1.7577 1.0024 -0.176 0.0161 0.092 +1267 N 1 NH2 ? ARG A 177 NH2 ? ARG A 1058 0.9148 1.6603 1.0056 -0.1601 0.0166 0.0812 +1268 N ? N ? GLU A 178 N ? GLU A 1059 0.4246 1.0039 0.5045 -0.0995 0.0089 0.0031 +1269 C ? CA ? GLU A 178 CA ? GLU A 1059 0.4067 0.9987 0.4858 -0.0747 0.0088 -0.0091 +1270 C ? C ? GLU A 178 C ? GLU A 1059 0.4636 1.0477 0.539 -0.0478 0.0108 -0.0159 +1271 O ? O ? GLU A 178 O ? GLU A 1059 0.4473 1.0445 0.5238 -0.0457 0.0132 -0.0101 +1272 C ? CB ? GLU A 178 CB ? GLU A 1059 0.413 1.0674 0.4975 -0.074 0.0074 -0.0072 +1273 C ? CG ? GLU A 178 CG ? GLU A 1059 0.47 1.1215 0.5526 -0.0673 0.0042 -0.0168 +1274 C ? CD ? GLU A 178 CD ? GLU A 1059 0.5062 1.1127 0.5858 -0.0856 0.0019 -0.0185 +1275 O ? OE1 ? GLU A 178 OE1 ? GLU A 1059 0.3776 0.9403 0.451 -0.0742 0.0018 -0.0275 +1276 O -1 OE2 ? GLU A 178 OE2 ? GLU A 1059 0.331 0.9462 0.4137 -0.1112 -0.0006 -0.0111 +1277 N ? N ? ASP A 179 N ? ASP A 1060 0.4318 0.9936 0.5017 -0.0283 0.0087 -0.0277 +1278 C ? CA ? ASP A 179 CA ? ASP A 1060 0.4315 0.9801 0.4957 -0.0036 0.0079 -0.0353 +1279 C ? C ? ASP A 179 C ? ASP A 1060 0.5004 1.0968 0.5629 0.0188 0.0054 -0.0393 +1280 O ? O ? ASP A 179 O ? ASP A 1060 0.503 1.0888 0.5584 0.0411 0.0024 -0.0468 +1281 C ? CB ? ASP A 179 CB ? ASP A 1060 0.4483 0.9483 0.5056 0.0047 0.0052 -0.0443 +1282 C ? CG ? ASP A 179 CG ? ASP A 1060 0.5277 0.9844 0.5853 -0.0123 0.0074 -0.0426 +1283 O ? OD1 ? ASP A 179 OD1 ? ASP A 1060 0.5134 0.9567 0.5731 -0.0212 0.0103 -0.0374 +1284 O -1 OD2 ? ASP A 179 OD2 ? ASP A 1060 0.5695 1.0061 0.6241 -0.0146 0.0058 -0.047 +1285 N ? N ? GLY A 180 N ? GLY A 1061 0.4719 1.1207 0.5401 0.0127 0.0057 -0.0344 +1286 C ? CA ? GLY A 180 CA ? GLY A 1061 0.4704 1.1771 0.5379 0.0332 0.0036 -0.0375 +1287 C ? C ? GLY A 180 C ? GLY A 1061 0.5279 1.2325 0.5858 0.0649 0 -0.0475 +1288 O ? O ? GLY A 180 O ? GLY A 1061 0.5418 1.2184 0.5895 0.0848 -0.0064 -0.0586 +1289 N ? N ? ASP A 181 N ? ASP A 1062 0.4616 1.1932 0.5211 0.0692 0.0029 -0.0432 +1290 C ? CA ? ASP A 181 CA ? ASP A 1062 0.4614 1.1956 0.5109 0.0996 -0.0013 -0.0531 +1291 C ? C ? ASP A 181 C ? ASP A 1062 0.4759 1.1566 0.522 0.097 -0.0004 -0.0536 +1292 O ? O ? ASP A 181 O ? ASP A 1062 0.4708 1.167 0.5151 0.1069 0.0005 -0.0534 +1293 C ? CB ? ASP A 181 CB ? ASP A 1062 0.4985 1.3081 0.5513 0.1093 0.0012 -0.049 +1294 C ? CG ? ASP A 181 CG ? ASP A 1062 0.7294 1.6059 0.7879 0.1092 0.0015 -0.0462 +1295 O ? OD1 ? ASP A 181 OD1 ? ASP A 1062 0.7546 1.6191 0.8156 0.0987 0 -0.0465 +1296 O -1 OD2 ? ASP A 181 OD2 ? ASP A 1062 0.831 1.7754 0.8917 0.1194 0.0033 -0.0433 +1297 N ? N ? SER A 182 N ? SER A 1063 0.3884 1.0103 0.4339 0.0846 -0.0009 -0.0545 +1298 C ? CA ? SER A 182 CA ? SER A 1063 0.3698 0.9431 0.4135 0.0797 0.0001 -0.0544 +1299 C ? C ? SER A 182 C ? SER A 1063 0.374 0.899 0.4063 0.0962 -0.0077 -0.066 +1300 O ? O ? SER A 182 O ? SER A 1063 0.3685 0.8816 0.3951 0.1027 -0.013 -0.0716 +1301 C ? CB ? SER A 182 CB ? SER A 1063 0.4146 0.9624 0.4665 0.0506 0.0061 -0.0447 +1302 O ? OG ? SER A 182 OG ? SER A 1063 0.5454 1.1301 0.6056 0.0326 0.0113 -0.0325 +1303 N ? N ? PRO A 183 N ? PRO A 1064 0.3095 0.8061 0.3376 0.1018 -0.0094 -0.0688 +1304 C ? CA ? PRO A 183 CA ? PRO A 1064 0.3092 0.7597 0.3261 0.1135 -0.0182 -0.078 +1305 C ? C ? PRO A 183 C ? PRO A 1064 0.3325 0.7423 0.353 0.094 -0.0159 -0.0743 +1306 O ? O ? PRO A 183 O ? PRO A 1064 0.323 0.705 0.3459 0.0849 -0.0138 -0.0722 +1307 C ? CB ? PRO A 183 CB ? PRO A 1064 0.3294 0.7719 0.3423 0.1235 -0.0205 -0.0812 +1308 C ? CG ? PRO A 183 CG ? PRO A 1064 0.3732 0.8368 0.398 0.1069 -0.01 -0.0704 +1309 C ? CD ? PRO A 183 CD ? PRO A 1064 0.3174 0.8226 0.3501 0.0969 -0.0043 -0.063 +1310 N ? N ? VAL A 184 N ? VAL A 1065 0.2791 0.6898 0.2998 0.0889 -0.0164 -0.074 +1311 C ? CA ? VAL A 184 CA ? VAL A 1065 0.2725 0.6532 0.2957 0.0721 -0.0141 -0.071 +1312 C ? C ? VAL A 184 C ? VAL A 1065 0.3033 0.6398 0.319 0.0735 -0.0197 -0.0741 +1313 O ? O ? VAL A 184 O ? VAL A 1065 0.3045 0.6199 0.3246 0.0583 -0.0155 -0.0703 +1314 C ? CB ? VAL A 184 CB ? VAL A 1065 0.3214 0.717 0.3449 0.0685 -0.0144 -0.0706 +1315 C ? CG1 ? VAL A 184 CG1 ? VAL A 1065 0.3065 0.7445 0.3404 0.0579 -0.0077 -0.0646 +1316 C ? CG2 ? VAL A 184 CG2 ? VAL A 1065 0.3317 0.7298 0.3427 0.0903 -0.0246 -0.0782 +1317 N ? N ? PHE A 185 N ? PHE A 1066 0.2456 0.569 0.2489 0.0916 -0.0301 -0.0809 +1318 C ? CA ? PHE A 185 CA ? PHE A 1066 0.2588 0.5405 0.2536 0.0912 -0.0377 -0.0827 +1319 C ? C ? PHE A 185 C ? PHE A 1066 0.2855 0.5553 0.2855 0.0845 -0.0346 -0.0809 +1320 O ? O ? PHE A 185 O ? PHE A 1066 0.2898 0.5291 0.285 0.0803 -0.0401 -0.081 +1321 C ? CB ? PHE A 185 CB ? PHE A 1066 0.3091 0.5737 0.2856 0.1116 -0.0528 -0.0905 +1322 C ? CG ? PHE A 185 CG ? PHE A 1066 0.3494 0.6132 0.3187 0.1154 -0.0574 -0.091 +1323 C ? CD1 ? PHE A 185 CD1 ? PHE A 1066 0.3921 0.631 0.3602 0.1006 -0.0577 -0.0857 +1324 C ? CD2 ? PHE A 185 CD2 ? PHE A 1066 0.3965 0.688 0.36 0.1346 -0.0614 -0.0966 +1325 C ? CE1 ? PHE A 185 CE1 ? PHE A 1066 0.4091 0.6478 0.3698 0.1044 -0.0621 -0.0856 +1326 C ? CE2 ? PHE A 185 CE2 ? PHE A 1066 0.4357 0.7275 0.3921 0.1393 -0.0661 -0.0972 +1327 C ? CZ ? PHE A 185 CZ ? PHE A 1066 0.4033 0.6671 0.3582 0.1238 -0.0665 -0.0915 +1328 N ? N ? TRP A 186 N ? TRP A 1067 0.2198 0.5155 0.2298 0.0821 -0.026 -0.0782 +1329 C ? CA ? TRP A 186 CA ? TRP A 1067 0.2103 0.501 0.2262 0.0764 -0.0216 -0.0756 +1330 C ? C ? TRP A 186 C ? TRP A 1067 0.2711 0.5678 0.2991 0.0582 -0.0104 -0.0679 +1331 O ? O ? TRP A 186 O ? TRP A 1067 0.2739 0.5697 0.3073 0.053 -0.0057 -0.0647 +1332 C ? CB ? TRP A 186 CB ? TRP A 1067 0.1885 0.5043 0.2031 0.0905 -0.0223 -0.0783 +1333 C ? CG ? TRP A 186 CG ? TRP A 1067 0.2175 0.5188 0.2188 0.1089 -0.0345 -0.0874 +1334 C ? CD1 ? TRP A 186 CD1 ? TRP A 1067 0.2563 0.5426 0.2548 0.1121 -0.0385 -0.0902 +1335 C ? CD2 ? TRP A 186 CD2 ? TRP A 1067 0.2326 0.5311 0.2197 0.1277 -0.046 -0.0959 +1336 N ? NE1 ? TRP A 186 NE1 ? TRP A 1067 0.2726 0.5435 0.2553 0.1302 -0.0526 -0.1 +1337 C ? CE2 ? TRP A 186 CE2 ? TRP A 1067 0.3015 0.5786 0.2762 0.1413 -0.0577 -0.104 +1338 C ? CE3 ? TRP A 186 CE3 ? TRP A 1067 0.2523 0.5643 0.2349 0.1354 -0.0484 -0.098 +1339 C ? CZ2 ? TRP A 186 CZ2 ? TRP A 1067 0.3193 0.5841 0.2753 0.1635 -0.0727 -0.1146 +1340 C ? CZ3 ? TRP A 186 CZ3 ? TRP A 1067 0.2935 0.5959 0.2585 0.1582 -0.0624 -0.108 +1341 C ? CH2 ? TRP A 186 CH2 ? TRP A 1067 0.3208 0.5975 0.2718 0.1724 -0.075 -0.1165 +1342 N ? N ? TYR A 187 N ? TYR A 1068 0.2269 0.5277 0.2573 0.0496 -0.0074 -0.0656 +1343 C ? CA ? TYR A 187 CA ? TYR A 1068 0.2275 0.5319 0.2662 0.0337 0.0009 -0.0598 +1344 C ? C ? TYR A 187 C ? TYR A 1068 0.2736 0.5548 0.3132 0.0229 0.0028 -0.0593 +1345 O ? O ? TYR A 187 O ? TYR A 1068 0.2664 0.5373 0.3015 0.0231 -0.0008 -0.0614 +1346 C ? CB ? TYR A 187 CB ? TYR A 1068 0.2501 0.5813 0.2915 0.0299 0.0031 -0.0574 +1347 C ? CG ? TYR A 187 CG ? TYR A 1068 0.2674 0.6307 0.3123 0.0318 0.0056 -0.0532 +1348 C ? CD1 ? TYR A 187 CD1 ? TYR A 1068 0.2852 0.6531 0.3291 0.0409 0.0051 -0.0534 +1349 C ? CD2 ? TYR A 187 CD2 ? TYR A 1068 0.2813 0.6737 0.3304 0.0238 0.008 -0.0485 +1350 C ? CE1 ? TYR A 187 CE1 ? TYR A 1068 0.2927 0.6948 0.3394 0.0426 0.0077 -0.0485 +1351 C ? CE2 ? TYR A 187 CE2 ? TYR A 1068 0.29 0.7176 0.3423 0.0235 0.0103 -0.0427 +1352 C ? CZ ? TYR A 187 CZ ? TYR A 1068 0.3521 0.7851 0.4032 0.0332 0.0104 -0.0424 +1353 O ? OH ? TYR A 187 OH ? TYR A 1068 0.3738 0.8454 0.4277 0.0323 0.0131 -0.0355 +1354 N ? N ? ALA A 188 N ? ALA A 1069 0.2174 0.4925 0.2621 0.0139 0.0084 -0.0561 +1355 C ? CA ? ALA A 188 CA ? ALA A 1069 0.2055 0.4637 0.251 0.0054 0.0112 -0.0562 +1356 C ? C ? ALA A 188 C ? ALA A 1069 0.2487 0.5097 0.2934 -0.0021 0.0122 -0.0566 +1357 O ? O ? ALA A 188 O ? ALA A 1069 0.2543 0.5311 0.3001 -0.0046 0.0124 -0.0548 +1358 C ? CB ? ALA A 188 CB ? ALA A 1069 0.2117 0.4644 0.2605 0.0016 0.0154 -0.0537 +1359 N ? N ? PRO A 189 N ? PRO A 1070 0.2194 0.4689 0.2622 -0.0063 0.0128 -0.0585 +1360 C ? CA ? PRO A 189 CA ? PRO A 1070 0.2276 0.4806 0.2685 -0.0126 0.0131 -0.0598 +1361 C ? C ? PRO A 189 C ? PRO A 1070 0.2819 0.5383 0.3244 -0.0211 0.0151 -0.0586 +1362 O ? O ? PRO A 189 O ? PRO A 1070 0.2785 0.5455 0.3203 -0.0257 0.0137 -0.0588 +1363 C ? CB ? PRO A 189 CB ? PRO A 1070 0.2506 0.4926 0.2889 -0.0147 0.0141 -0.0618 +1364 C ? CG ? PRO A 189 CG ? PRO A 1070 0.2928 0.5274 0.3333 -0.0117 0.0156 -0.0613 +1365 C ? CD ? PRO A 189 CD ? PRO A 1070 0.2294 0.4671 0.2713 -0.0057 0.0129 -0.0594 +1366 N ? N ? GLU A 190 N ? GLU A 1071 0.2421 0.4891 0.2857 -0.0236 0.017 -0.0569 +1367 C ? CA ? GLU A 190 CA ? GLU A 1071 0.2515 0.4949 0.2939 -0.0338 0.0165 -0.0544 +1368 C ? C ? GLU A 190 C ? GLU A 1071 0.3072 0.573 0.3528 -0.0393 0.0154 -0.0484 +1369 O ? O ? GLU A 190 O ? GLU A 1071 0.3286 0.5963 0.373 -0.0514 0.0135 -0.0457 +1370 C ? CB ? GLU A 190 CB ? GLU A 1071 0.2767 0.5001 0.3165 -0.0338 0.0171 -0.0536 +1371 C ? CG ? GLU A 190 CG ? GLU A 1071 0.3507 0.5787 0.3937 -0.0287 0.0184 -0.0486 +1372 C ? CD ? GLU A 190 CD ? GLU A 1071 0.4045 0.6328 0.45 -0.0174 0.0199 -0.0513 +1373 O ? OE1 ? GLU A 190 OE1 ? GLU A 1071 0.3488 0.5756 0.394 -0.0144 0.0201 -0.0558 +1374 O -1 OE2 ? GLU A 190 OE2 ? GLU A 1071 0.3176 0.549 0.365 -0.0127 0.0204 -0.0482 +1375 N ? N ? CYS A 191 N ? CYS A 1072 0.2418 0.5259 0.2907 -0.0305 0.0158 -0.0465 +1376 C ? CA ? CYS A 191 CA ? CYS A 1072 0.2439 0.5581 0.296 -0.0324 0.0152 -0.0413 +1377 C ? C ? CYS A 191 C ? CYS A 1072 0.2886 0.622 0.3409 -0.0335 0.0132 -0.0436 +1378 O ? O ? CYS A 191 O ? CYS A 1072 0.2783 0.6362 0.3333 -0.0423 0.0125 -0.0389 +1379 C ? CB ? CYS A 191 CB ? CYS A 1072 0.2404 0.5684 0.2938 -0.0188 0.0155 -0.0409 +1380 S ? SG ? CYS A 191 SG ? CYS A 1072 0.293 0.5986 0.3458 -0.0143 0.0173 -0.04 +1381 N ? N ? LEU A 192 N ? LEU A 1073 0.2377 0.5614 0.2868 -0.0253 0.0118 -0.05 +1382 C ? CA ? LEU A 192 CA ? LEU A 1073 0.2213 0.5598 0.2688 -0.023 0.0091 -0.0528 +1383 C ? C ? LEU A 192 C ? LEU A 1073 0.2817 0.6133 0.3281 -0.0361 0.0089 -0.054 +1384 O ? O ? LEU A 192 O ? LEU A 1073 0.2866 0.6397 0.3341 -0.0411 0.007 -0.0534 +1385 C ? CB ? LEU A 192 CB ? LEU A 1073 0.2121 0.5381 0.2542 -0.0094 0.0061 -0.0576 +1386 C ? CG ? LEU A 192 CG ? LEU A 1073 0.2564 0.5798 0.2966 0.0043 0.004 -0.0585 +1387 C ? CD1 ? LEU A 192 CD1 ? LEU A 1073 0.2628 0.5648 0.2957 0.0122 -0.0006 -0.0618 +1388 C ? CD2 ? LEU A 192 CD2 ? LEU A 1073 0.2262 0.5807 0.2668 0.0145 0.0017 -0.0583 +1389 N ? N ? LYS A 193 N ? LYS A 1074 0.2311 0.5347 0.2746 -0.0404 0.0102 -0.0564 +1390 C ? CA ? LYS A 193 CA ? LYS A 1074 0.226 0.518 0.2658 -0.0499 0.0092 -0.0598 +1391 C ? C ? LYS A 193 C ? LYS A 1074 0.2758 0.5618 0.3151 -0.0647 0.0074 -0.0567 +1392 O ? O ? LYS A 193 O ? LYS A 1074 0.2474 0.5408 0.2855 -0.0754 0.0042 -0.0572 +1393 C ? CB ? LYS A 193 CB ? LYS A 1074 0.2367 0.5049 0.2721 -0.0446 0.0108 -0.0647 +1394 C ? CG ? LYS A 193 CG ? LYS A 1074 0.3781 0.6367 0.4076 -0.0499 0.0095 -0.0703 +1395 C ? CD ? LYS A 193 CD ? LYS A 1074 0.4664 0.7072 0.4918 -0.044 0.0118 -0.0746 +1396 C ? CE ? LYS A 193 CE ? LYS A 1074 0.593 0.8262 0.611 -0.0465 0.0103 -0.0815 +1397 N 1 NZ ? LYS A 193 NZ ? LYS A 1074 0.7121 0.9588 0.7281 -0.0445 0.0102 -0.0828 +1398 N ? N ? GLU A 194 N ? GLU A 1075 0.2438 0.5141 0.2828 -0.0659 0.0084 -0.0535 +1399 C ? CA ? GLU A 194 CA ? GLU A 1075 0.2501 0.5048 0.2851 -0.08 0.0049 -0.0497 +1400 C ? C ? GLU A 194 C ? GLU A 1075 0.2839 0.5579 0.3234 -0.0894 0.0043 -0.0391 +1401 O ? O ? GLU A 194 O ? GLU A 1075 0.3117 0.5723 0.3467 -0.1041 -0.0001 -0.0337 +1402 C ? CB ? GLU A 194 CB ? GLU A 1075 0.2802 0.501 0.3088 -0.0747 0.0049 -0.0531 +1403 C ? CG ? GLU A 194 CG ? GLU A 1075 0.4342 0.6401 0.4577 -0.0659 0.0055 -0.0633 +1404 C ? CD ? GLU A 194 CD ? GLU A 1075 0.6289 0.8113 0.6475 -0.0564 0.0065 -0.0668 +1405 O ? OE1 ? GLU A 194 OE1 ? GLU A 1075 0.6259 0.784 0.6366 -0.0607 0.0019 -0.0667 +1406 O -1 OE2 ? GLU A 194 OE2 ? GLU A 1075 0.5189 0.7072 0.5409 -0.0449 0.0109 -0.0694 +1407 N ? N ? TYR A 195 N ? TYR A 1076 0.2137 0.5183 0.2602 -0.0807 0.0077 -0.0359 +1408 C ? CA ? TYR A 195 CA ? TYR A 1076 0.211 0.5434 0.2622 -0.0869 0.0081 -0.0256 +1409 C ? C ? TYR A 195 C ? TYR A 1076 0.2613 0.5715 0.309 -0.0916 0.0079 -0.0191 +1410 O ? O ? TYR A 195 O ? TYR A 1076 0.2416 0.5578 0.2884 -0.1074 0.0052 -0.0086 +1411 C ? CB ? TYR A 195 CB ? TYR A 1076 0.2288 0.5902 0.2826 -0.1039 0.0048 -0.0197 +1412 C ? CG ? TYR A 195 CG ? TYR A 1076 0.2337 0.625 0.2914 -0.0949 0.0053 -0.0254 +1413 C ? CD1 ? TYR A 195 CD1 ? TYR A 1076 0.2591 0.6377 0.3135 -0.0963 0.003 -0.0331 +1414 C ? CD2 ? TYR A 195 CD2 ? TYR A 1076 0.2323 0.6636 0.2953 -0.0823 0.0075 -0.024 +1415 C ? CE1 ? TYR A 195 CE1 ? TYR A 1076 0.2511 0.6548 0.3074 -0.0866 0.0028 -0.0379 +1416 C ? CE2 ? TYR A 195 CE2 ? TYR A 1076 0.2396 0.6951 0.3037 -0.0711 0.0066 -0.0299 +1417 C ? CZ ? TYR A 195 CZ ? TYR A 1076 0.2925 0.7336 0.3534 -0.074 0.0042 -0.0362 +1418 O ? OH ? TYR A 195 OH ? TYR A 1076 0.2919 0.755 0.3524 -0.0621 0.0026 -0.0414 +1419 N ? N ? LYS A 196 N ? LYS A 1077 0.2449 0.5289 0.2899 -0.0784 0.01 -0.0249 +1420 C ? CA ? LYS A 196 CA ? LYS A 1077 0.26 0.5196 0.3007 -0.078 0.0097 -0.0211 +1421 C ? C ? LYS A 196 C ? LYS A 1077 0.2911 0.5634 0.3363 -0.0625 0.0141 -0.0212 +1422 O ? O ? LYS A 196 O ? LYS A 1077 0.2721 0.5484 0.32 -0.0491 0.0162 -0.0289 +1423 C ? CB ? LYS A 196 CB ? LYS A 1077 0.3001 0.5203 0.333 -0.0742 0.0077 -0.0295 +1424 C ? CG ? LYS A 196 CG ? LYS A 1077 0.4896 0.6868 0.5136 -0.0891 0.0009 -0.0298 +1425 C ? CD ? LYS A 196 CD ? LYS A 1077 0.6254 0.7876 0.6404 -0.08 -0.0011 -0.0402 +1426 C ? CE ? LYS A 196 CE ? LYS A 1077 0.7687 0.8994 0.7709 -0.0919 -0.0102 -0.042 +1427 N 1 NZ ? LYS A 196 NZ ? LYS A 1077 0.9067 1.0029 0.8978 -0.0789 -0.0129 -0.0517 +1428 N ? N ? PHE A 197 N ? PHE A 1078 0.2469 0.5245 0.2918 -0.065 0.0144 -0.0123 +1429 C ? CA ? PHE A 197 CA ? PHE A 1078 0.2241 0.5119 0.2719 -0.0503 0.0176 -0.0127 +1430 C ? C ? PHE A 197 C ? PHE A 1078 0.2751 0.5363 0.3176 -0.0499 0.0168 -0.0089 +1431 O ? O ? PHE A 197 O ? PHE A 1078 0.2922 0.5527 0.331 -0.061 0.0148 0.0021 +1432 C ? CB ? PHE A 197 CB ? PHE A 1078 0.2322 0.5629 0.2849 -0.0481 0.0192 -0.0066 +1433 C ? CG ? PHE A 197 CG ? PHE A 1078 0.2321 0.5736 0.2868 -0.0284 0.0209 -0.0129 +1434 C ? CD1 ? PHE A 197 CD1 ? PHE A 1078 0.2548 0.6118 0.3112 -0.0166 0.0202 -0.0211 +1435 C ? CD2 ? PHE A 197 CD2 ? PHE A 1078 0.2336 0.5653 0.2867 -0.0213 0.0218 -0.0113 +1436 C ? CE1 ? PHE A 197 CE1 ? PHE A 1078 0.2553 0.6148 0.3107 0.001 0.0192 -0.0276 +1437 C ? CE2 ? PHE A 197 CE2 ? PHE A 1078 0.2548 0.5934 0.3086 -0.0042 0.0218 -0.018 +1438 C ? CZ ? PHE A 197 CZ ? PHE A 1078 0.2284 0.5788 0.2828 0.0064 0.02 -0.0262 +1439 N ? N ? TYR A 198 N ? TYR A 1079 0.2187 0.4588 0.26 -0.038 0.0177 -0.0172 +1440 C ? CA ? TYR A 198 CA ? TYR A 1079 0.2213 0.4378 0.2576 -0.0327 0.0169 -0.0162 +1441 C ? C ? TYR A 198 C ? TYR A 1079 0.2719 0.5061 0.3126 -0.0208 0.0197 -0.0152 +1442 O ? O ? TYR A 198 O ? TYR A 1079 0.2445 0.5024 0.2907 -0.0146 0.0213 -0.0184 +1443 C ? CB ? TYR A 198 CB ? TYR A 1079 0.236 0.4298 0.27 -0.0242 0.0169 -0.027 +1444 C ? CG ? TYR A 198 CG ? TYR A 1079 0.2867 0.4622 0.3151 -0.0314 0.014 -0.0316 +1445 C ? CD1 ? TYR A 198 CD1 ? TYR A 1079 0.3468 0.4919 0.3642 -0.0364 0.0086 -0.0303 +1446 C ? CD2 ? TYR A 198 CD2 ? TYR A 1079 0.2906 0.4759 0.3228 -0.0312 0.0154 -0.0385 +1447 C ? CE1 ? TYR A 198 CE1 ? TYR A 1079 0.3694 0.4954 0.3797 -0.0411 0.0046 -0.0367 +1448 C ? CE2 ? TYR A 198 CE2 ? TYR A 1079 0.311 0.4808 0.3374 -0.0364 0.0126 -0.0438 +1449 C ? CZ ? TYR A 198 CZ ? TYR A 1079 0.4506 0.5912 0.466 -0.041 0.0071 -0.0436 +1450 O ? OH ? TYR A 198 OH ? TYR A 1079 0.5071 0.6312 0.515 -0.0449 0.003 -0.0504 +1451 N ? N ? TYR A 199 N ? TYR A 1080 0.2538 0.4742 0.2907 -0.0156 0.0191 -0.0125 +1452 C ? CA ? TYR A 199 CA ? TYR A 1080 0.2386 0.4731 0.2789 -0.0032 0.0209 -0.0133 +1453 C ? C ? TYR A 199 C ? TYR A 1080 0.2615 0.4973 0.3068 0.0068 0.0219 -0.0248 +1454 O ? O ? TYR A 199 O ? TYR A 1080 0.2635 0.5162 0.3124 0.0146 0.022 -0.0277 +1455 C ? CB ? TYR A 199 CB ? TYR A 1080 0.2625 0.4792 0.2969 0.0011 0.0196 -0.0092 +1456 C ? CG ? TYR A 199 CG ? TYR A 1080 0.2872 0.5 0.3147 -0.0097 0.0172 0.0044 +1457 C ? CD1 ? TYR A 199 CD1 ? TYR A 1080 0.3067 0.5485 0.3361 -0.012 0.0187 0.0135 +1458 C ? CD2 ? TYR A 199 CD2 ? TYR A 1080 0.3222 0.5017 0.3392 -0.0171 0.0124 0.0085 +1459 C ? CE1 ? TYR A 199 CE1 ? TYR A 1080 0.3343 0.5753 0.3568 -0.0242 0.0163 0.0285 +1460 C ? CE2 ? TYR A 199 CE2 ? TYR A 1080 0.3562 0.5277 0.3646 -0.0295 0.0083 0.0229 +1461 C ? CZ ? TYR A 199 CZ ? TYR A 1080 0.4637 0.6676 0.4756 -0.0344 0.0107 0.034 +1462 O ? OH ? TYR A 199 OH ? TYR A 1080 0.5195 0.7182 0.5225 -0.0492 0.0065 0.0506 +1463 N ? N ? ALA A 200 N ? ALA A 1081 0.2029 0.4217 0.2472 0.0055 0.0217 -0.0309 +1464 C ? CA ? ALA A 200 CA ? ALA A 1081 0.1885 0.409 0.2367 0.0109 0.0222 -0.0394 +1465 C ? C ? ALA A 200 C ? ALA A 1081 0.2296 0.465 0.2807 0.0093 0.0215 -0.0416 +1466 O ? O ? ALA A 200 O ? ALA A 1081 0.2414 0.4797 0.2945 0.0143 0.0202 -0.0464 +1467 C ? CB ? ALA A 200 CB ? ALA A 1081 0.1989 0.4027 0.244 0.0096 0.0223 -0.0443 +1468 N ? N ? SER A 201 N ? SER A 1082 0.1811 0.4261 0.2316 0.0024 0.0214 -0.0375 +1469 C ? CA ? SER A 201 CA ? SER A 1082 0.1694 0.4311 0.2214 0.0037 0.0202 -0.0399 +1470 C ? C ? SER A 201 C ? SER A 1082 0.2099 0.4875 0.2625 0.0148 0.0183 -0.041 +1471 O ? O ? SER A 201 O ? SER A 1082 0.211 0.4908 0.2624 0.0215 0.0149 -0.0466 +1472 C ? CB ? SER A 201 CB ? SER A 1082 0.1976 0.4715 0.2494 -0.0063 0.0204 -0.0351 +1473 O ? OG ? SER A 201 OG ? SER A 1082 0.2325 0.4881 0.2817 -0.0168 0.0205 -0.0343 +1474 N ? N ? ASP A 202 N ? ASP A 1083 0.1668 0.4524 0.2193 0.0174 0.0193 -0.036 +1475 C ? CA ? ASP A 202 CA ? ASP A 1083 0.1712 0.4716 0.2228 0.0295 0.0171 -0.0381 +1476 C ? C ? ASP A 202 C ? ASP A 1083 0.2374 0.5223 0.2885 0.037 0.0137 -0.0452 +1477 O ? O ? ASP A 202 O ? ASP A 1083 0.24 0.5305 0.2883 0.047 0.0088 -0.0505 +1478 C ? CB ? ASP A 202 CB ? ASP A 1083 0.1958 0.5084 0.2469 0.0294 0.0193 -0.03 +1479 C ? CG ? ASP A 202 CG ? ASP A 1083 0.3156 0.6595 0.3665 0.0272 0.0205 -0.0233 +1480 O ? OD1 ? ASP A 202 OD1 ? ASP A 1083 0.3155 0.6773 0.3662 0.0326 0.0187 -0.0278 +1481 O -1 OD2 ? ASP A 202 OD2 ? ASP A 1083 0.392 0.7447 0.442 0.0208 0.0226 -0.0132 +1482 N ? N ? VAL A 203 N ? VAL A 1084 0.1935 0.4599 0.2465 0.0321 0.0154 -0.0457 +1483 C ? CA ? VAL A 203 CA ? VAL A 1084 0.1869 0.4433 0.2407 0.0356 0.0125 -0.0507 +1484 C ? C ? VAL A 203 C ? VAL A 1084 0.2409 0.4918 0.2927 0.0347 0.0079 -0.0554 +1485 O ? O ? VAL A 203 O ? VAL A 1084 0.2382 0.4849 0.2876 0.0389 0.0018 -0.0593 +1486 C ? CB ? VAL A 203 CB ? VAL A 1084 0.2174 0.4631 0.2735 0.0322 0.0158 -0.0496 +1487 C ? CG1 ? VAL A 203 CG1 ? VAL A 1084 0.2084 0.4509 0.2666 0.0329 0.013 -0.0538 +1488 C ? CG2 ? VAL A 203 CG2 ? VAL A 1084 0.2065 0.4536 0.2618 0.0356 0.0179 -0.0449 +1489 N ? N ? TRP A 204 N ? TRP A 1085 0.207 0.4565 0.2584 0.0287 0.0096 -0.0548 +1490 C ? CA ? TRP A 204 CA ? TRP A 1085 0.2063 0.4502 0.2543 0.0278 0.0051 -0.0581 +1491 C ? C ? TRP A 204 C ? TRP A 1085 0.2545 0.5037 0.2966 0.0383 -0.0019 -0.0616 +1492 O ? O ? TRP A 204 O ? TRP A 1085 0.2591 0.496 0.2957 0.0412 -0.0096 -0.0652 +1493 C ? CB ? TRP A 204 CB ? TRP A 1085 0.1857 0.4306 0.234 0.0206 0.0084 -0.0568 +1494 C ? CG ? TRP A 204 CG ? TRP A 1085 0.1971 0.4377 0.2406 0.0208 0.0035 -0.0592 +1495 C ? CD1 ? TRP A 204 CD1 ? TRP A 1085 0.2394 0.4848 0.2774 0.0291 -0.0025 -0.0618 +1496 C ? CD2 ? TRP A 204 CD2 ? TRP A 1085 0.1977 0.4293 0.2401 0.0136 0.0034 -0.0591 +1497 N ? NE1 ? TRP A 204 NE1 ? TRP A 1085 0.2459 0.4815 0.2785 0.0274 -0.007 -0.0629 +1498 C ? CE2 ? TRP A 204 CE2 ? TRP A 1085 0.259 0.4872 0.2947 0.0167 -0.0031 -0.0606 +1499 C ? CE3 ? TRP A 204 CE3 ? TRP A 1085 0.2111 0.4391 0.2564 0.0062 0.008 -0.0582 +1500 C ? CZ2 ? TRP A 204 CZ2 ? TRP A 1085 0.2531 0.4733 0.2851 0.0107 -0.005 -0.0595 +1501 C ? CZ3 ? TRP A 204 CZ3 ? TRP A 1085 0.2361 0.4605 0.2786 0.0007 0.0067 -0.0578 +1502 C ? CH2 ? TRP A 204 CH2 ? TRP A 1085 0.2543 0.4743 0.2903 0.0019 0.0004 -0.0577 +1503 N ? N ? SER A 205 N ? SER A 1086 0.2235 0.4914 0.2656 0.0442 -0.0001 -0.0605 +1504 C ? CA ? SER A 205 CA ? SER A 1086 0.2234 0.5029 0.2589 0.0582 -0.0064 -0.0651 +1505 C ? C ? SER A 205 C ? SER A 1086 0.2585 0.5291 0.2899 0.0666 -0.0127 -0.0695 +1506 O ? O ? SER A 205 O ? SER A 1086 0.263 0.5258 0.2851 0.0772 -0.0225 -0.0762 +1507 C ? CB ? SER A 205 CB ? SER A 1086 0.2333 0.5428 0.271 0.0613 -0.0017 -0.0612 +1508 O ? OG ? SER A 205 OG ? SER A 1086 0.2525 0.5702 0.2945 0.0505 0.0034 -0.0564 +1509 N ? N ? PHE A 206 N ? PHE A 1087 0.2067 0.4762 0.2436 0.0621 -0.0083 -0.0662 +1510 C ? CA ? PHE A 206 CA ? PHE A 1087 0.2197 0.482 0.2539 0.0681 -0.0142 -0.0701 +1511 C ? C ? PHE A 206 C ? PHE A 1087 0.2861 0.5246 0.316 0.0637 -0.0227 -0.0737 +1512 O ? O ? PHE A 206 O ? PHE A 1087 0.2964 0.5248 0.318 0.0713 -0.0331 -0.0797 +1513 C ? CB ? PHE A 206 CB ? PHE A 1087 0.2439 0.5107 0.2849 0.0642 -0.0079 -0.0653 +1514 C ? CG ? PHE A 206 CG ? PHE A 1087 0.2749 0.533 0.3145 0.0667 -0.0141 -0.0692 +1515 C ? CD1 ? PHE A 206 CD1 ? PHE A 1087 0.3235 0.5864 0.3565 0.079 -0.0214 -0.0748 +1516 C ? CD2 ? PHE A 206 CD2 ? PHE A 1087 0.2952 0.5424 0.3395 0.057 -0.0139 -0.0679 +1517 C ? CE1 ? PHE A 206 CE1 ? PHE A 1087 0.3435 0.5965 0.3743 0.0799 -0.029 -0.079 +1518 C ? CE2 ? PHE A 206 CE2 ? PHE A 1087 0.3344 0.5765 0.3779 0.0571 -0.0209 -0.071 +1519 C ? CZ ? PHE A 206 CZ ? PHE A 1087 0.3232 0.5663 0.3599 0.0677 -0.0288 -0.0765 +1520 N ? N ? GLY A 207 N ? GLY A 1088 0.2466 0.4767 0.2809 0.0513 -0.019 -0.0699 +1521 C ? CA ? GLY A 207 CA ? GLY A 1088 0.2524 0.4637 0.2831 0.0433 -0.0261 -0.0703 +1522 C ? C ? GLY A 207 C ? GLY A 1088 0.3044 0.5007 0.3226 0.0499 -0.0376 -0.0749 +1523 O ? O ? GLY A 207 O ? GLY A 1088 0.323 0.4994 0.3331 0.0479 -0.049 -0.0769 +1524 N ? N ? VAL A 208 N ? VAL A 1089 0.2549 0.4608 0.2704 0.0579 -0.0356 -0.0765 +1525 C ? CA ? VAL A 208 CA ? VAL A 1089 0.2646 0.4601 0.2668 0.0691 -0.0465 -0.082 +1526 C ? C ? VAL A 208 C ? VAL A 1089 0.3214 0.5155 0.314 0.0859 -0.0561 -0.09 +1527 O ? O ? VAL A 208 O ? VAL A 1089 0.3524 0.5218 0.3303 0.0929 -0.0707 -0.0958 +1528 C ? CB ? VAL A 208 CB ? VAL A 1089 0.3014 0.5151 0.3049 0.0732 -0.0408 -0.0812 +1529 C ? CG1 ? VAL A 208 CG1 ? VAL A 1089 0.3174 0.5196 0.3058 0.0867 -0.053 -0.0874 +1530 C ? CG2 ? VAL A 208 CG2 ? VAL A 1089 0.2755 0.4906 0.2879 0.0571 -0.0316 -0.0744 +1531 N ? N ? THR A 209 N ? THR A 1090 0.2531 0.4717 0.2521 0.0924 -0.0491 -0.0903 +1532 C ? CA ? THR A 209 CA ? THR A 1090 0.2579 0.4806 0.2481 0.1093 -0.057 -0.0983 +1533 C ? C ? THR A 209 C ? THR A 1090 0.3151 0.5097 0.2999 0.1044 -0.0678 -0.1012 +1534 O ? O ? THR A 209 O ? THR A 1090 0.3313 0.5086 0.3011 0.117 -0.0824 -0.1102 +1535 C ? CB ? THR A 209 CB ? THR A 1090 0.3528 0.6101 0.352 0.1137 -0.0459 -0.0951 +1536 O ? OG1 ? THR A 209 OG1 ? THR A 1090 0.3647 0.6473 0.3696 0.1128 -0.0367 -0.0902 +1537 C ? CG2 ? THR A 209 CG2 ? THR A 1090 0.3345 0.6031 0.3239 0.1336 -0.0533 -0.1036 +1538 N ? N ? LEU A 210 N ? LEU A 1091 0.2541 0.4444 0.2499 0.0863 -0.0617 -0.0939 +1539 C ? CA ? LEU A 210 CA ? LEU A 1091 0.2586 0.4286 0.2522 0.0769 -0.0707 -0.0943 +1540 C ? C ? LEU A 210 C ? LEU A 1091 0.3409 0.4771 0.3206 0.0723 -0.0859 -0.096 +1541 O ? O ? LEU A 210 O ? LEU A 1091 0.3479 0.461 0.316 0.0732 -0.1012 -0.101 +1542 C ? CB ? LEU A 210 CB ? LEU A 1091 0.2291 0.4101 0.2385 0.0599 -0.0592 -0.0856 +1543 C ? CG ? LEU A 210 CG ? LEU A 1091 0.283 0.4533 0.2938 0.0467 -0.0662 -0.0836 +1544 C ? CD1 ? LEU A 210 CD1 ? LEU A 1091 0.2963 0.4633 0.3009 0.0556 -0.076 -0.0906 +1545 C ? CD2 ? LEU A 210 CD2 ? LEU A 1091 0.262 0.4517 0.2883 0.0351 -0.0532 -0.0762 +1546 N ? N ? TYR A 211 N ? TYR A 1092 0.3133 0.4452 0.2924 0.0673 -0.083 -0.0919 +1547 C ? CA ? TYR A 211 CA ? TYR A 1092 0.335 0.4344 0.299 0.0639 -0.0975 -0.0921 +1548 C ? C ? TYR A 211 C ? TYR A 1092 0.4094 0.4908 0.3534 0.0862 -0.1134 -0.1038 +1549 O ? O ? TYR A 211 O ? TYR A 1092 0.4416 0.4869 0.3689 0.0851 -0.1318 -0.107 +1550 C ? CB ? TYR A 211 CB ? TYR A 1092 0.3366 0.4411 0.3042 0.0576 -0.0897 -0.086 +1551 C ? CG ? TYR A 211 CG ? TYR A 1092 0.3879 0.4611 0.337 0.0607 -0.1048 -0.0872 +1552 C ? CD1 ? TYR A 211 CD1 ? TYR A 1092 0.4249 0.4699 0.3666 0.0429 -0.115 -0.0801 +1553 C ? CD2 ? TYR A 211 CD2 ? TYR A 1092 0.4084 0.4816 0.3463 0.0815 -0.1096 -0.0948 +1554 C ? CE1 ? TYR A 211 CE1 ? TYR A 1092 0.4522 0.4634 0.3741 0.0455 -0.1308 -0.0802 +1555 C ? CE2 ? TYR A 211 CE2 ? TYR A 1092 0.4496 0.4911 0.3679 0.087 -0.1251 -0.0966 +1556 C ? CZ ? TYR A 211 CZ ? TYR A 1092 0.5636 0.5713 0.4734 0.0686 -0.136 -0.0889 +1557 O ? OH ? TYR A 211 OH ? TYR A 1092 0.642 0.6142 0.5303 0.0733 -0.1527 -0.0893 +1558 N ? N ? GLU A 212 N ? GLU A 1093 0.3549 0.4624 0.2997 0.1061 -0.1072 -0.1101 +1559 C ? CA ? GLU A 212 CA ? GLU A 1093 0.3691 0.4698 0.2954 0.1322 -0.1206 -0.1229 +1560 C ? C ? GLU A 212 C ? GLU A 1093 0.4515 0.5337 0.3671 0.1385 -0.1343 -0.131 +1561 O ? O ? GLU A 212 O ? GLU A 1093 0.5047 0.553 0.398 0.1508 -0.1543 -0.1403 +1562 C ? CB ? GLU A 212 CB ? GLU A 1093 0.3563 0.501 0.2892 0.1497 -0.1087 -0.126 +1563 C ? CG ? GLU A 212 CG ? GLU A 1093 0.3494 0.5104 0.2872 0.1487 -0.1002 -0.1213 +1564 C ? CD ? GLU A 212 CD ? GLU A 1093 0.4506 0.6566 0.3923 0.166 -0.0918 -0.1245 +1565 O ? OE1 ? GLU A 212 OE1 ? GLU A 1093 0.2008 0.4393 0.1594 0.1571 -0.0761 -0.1172 +1566 O -1 OE2 ? GLU A 212 OE2 ? GLU A 1093 0.3969 0.6062 0.3233 0.1893 -0.102 -0.1343 +1567 N ? N ? LEU A 213 N ? LEU A 1094 0.3929 0.4947 0.3225 0.1306 -0.1251 -0.128 +1568 C ? CA ? LEU A 213 CA ? LEU A 1094 0.4098 0.4981 0.3311 0.135 -0.1371 -0.1354 +1569 C ? C ? LEU A 213 C ? LEU A 1094 0.4836 0.5254 0.3927 0.1192 -0.1556 -0.1345 +1570 O ? O ? LEU A 213 O ? LEU A 1094 0.5088 0.5214 0.3985 0.129 -0.1753 -0.1448 +1571 C ? CB ? LEU A 213 CB ? LEU A 1094 0.3876 0.5075 0.3275 0.1277 -0.1227 -0.1304 +1572 C ? CG ? LEU A 213 CG ? LEU A 1094 0.4281 0.5934 0.3802 0.1387 -0.1048 -0.1282 +1573 C ? CD1 ? LEU A 213 CD1 ? LEU A 1094 0.3946 0.5813 0.3642 0.1266 -0.0917 -0.1202 +1574 C ? CD2 ? LEU A 213 CD2 ? LEU A 1094 0.4918 0.6714 0.4305 0.1662 -0.1116 -0.1402 +1575 N ? N ? LEU A 214 N ? LEU A 1095 0.4383 0.474 0.3576 0.0943 -0.15 -0.1219 +1576 C ? CA ? LEU A 214 CA ? LEU A 1095 0.4663 0.4641 0.3763 0.0737 -0.1657 -0.1168 +1577 C ? C ? LEU A 214 C ? LEU A 1095 0.5385 0.4908 0.4232 0.0795 -0.1861 -0.1205 +1578 O ? O ? LEU A 214 O ? LEU A 1095 0.5638 0.4757 0.4333 0.0666 -0.2058 -0.1192 +1579 C ? CB ? LEU A 214 CB ? LEU A 1095 0.4424 0.4576 0.3726 0.0458 -0.1519 -0.1016 +1580 C ? CG ? LEU A 214 CG ? LEU A 1095 0.4839 0.5222 0.4302 0.0327 -0.1449 -0.0977 +1581 C ? CD1 ? LEU A 214 CD1 ? LEU A 1095 0.5185 0.5278 0.4525 0.0218 -0.1656 -0.0997 +1582 C ? CD2 ? LEU A 214 CD2 ? LEU A 1095 0.4627 0.5367 0.4212 0.0494 -0.1301 -0.1029 +1583 N ? N ? THR A 215 N ? THR A 1096 0.4764 0.4345 0.3547 0.0998 -0.1831 -0.1256 +1584 C ? CA ? THR A 215 CA ? THR A 1096 0.521 0.4375 0.3729 0.1124 -0.2031 -0.1315 +1585 C ? C ? THR A 215 C ? THR A 1096 0.6259 0.5278 0.4559 0.1434 -0.2197 -0.1499 +1586 O ? O ? THR A 215 O ? THR A 1096 0.6651 0.5294 0.4689 0.16 -0.2396 -0.1583 +1587 C ? CB ? THR A 215 CB ? THR A 1096 0.6015 0.5361 0.4571 0.1208 -0.192 -0.1285 +1588 O ? OG1 ? THR A 215 OG1 ? THR A 1096 0.5753 0.5568 0.4427 0.141 -0.1763 -0.1349 +1589 C ? CG2 ? THR A 215 CG2 ? THR A 1096 0.5465 0.4912 0.419 0.0932 -0.1783 -0.1121 +1590 N ? N ? HIS A 216 N ? HIS A 1097 0.5611 0.4939 0.401 0.1528 -0.2119 -0.1564 +1591 C ? CA ? HIS A 216 CA ? HIS A 1097 0.5804 0.5137 0.4036 0.1835 -0.2234 -0.1741 +1592 C ? C ? HIS A 216 C ? HIS A 1097 0.6539 0.6111 0.4704 0.2136 -0.2194 -0.1824 +1593 O ? O ? HIS A 216 O ? HIS A 1097 0.6869 0.629 0.4791 0.2433 -0.2364 -0.1984 +1594 C ? CB ? HIS A 216 CB ? HIS A 1097 0.6429 0.516 0.4366 0.1867 -0.2542 -0.1843 +1595 C ? CG ? HIS A 216 CG ? HIS A 1097 0.6858 0.5413 0.4863 0.1566 -0.2591 -0.1762 +1596 N ? ND1 ? HIS A 216 ND1 ? HIS A 1097 0.7098 0.5672 0.5073 0.1617 -0.2662 -0.1853 +1597 C ? CD2 ? HIS A 216 CD2 ? HIS A 1097 0.7006 0.5412 0.5105 0.1221 -0.258 -0.16 +1598 C ? CE1 ? HIS A 216 CE1 ? HIS A 1097 0.7049 0.5484 0.5107 0.1297 -0.2695 -0.1744 +1599 N ? NE2 ? HIS A 216 NE2 ? HIS A 1097 0.7035 0.5388 0.5173 0.105 -0.2643 -0.1587 +1600 N ? N ? CYS A 217 N ? CYS A 1098 0.5927 0.5889 0.4305 0.2058 -0.1973 -0.1716 +1601 C ? CA ? CYS A 217 CA ? CYS A 1098 0.5883 0.6158 0.4255 0.2272 -0.1899 -0.1753 +1602 C ? C ? CYS A 217 C ? CYS A 1098 0.7038 0.6933 0.5128 0.2471 -0.211 -0.1847 +1603 O ? O ? CYS A 217 O ? CYS A 1098 0.7195 0.7288 0.5166 0.2784 -0.215 -0.1967 +1604 C ? CB ? CYS A 217 CB ? CYS A 1098 0.5725 0.6533 0.4168 0.2487 -0.179 -0.1825 +1605 S ? SG ? CYS A 217 SG ? CYS A 1098 0.5648 0.6976 0.4441 0.2253 -0.1498 -0.1671 +1606 N ? N ? ASP A 218 N ? ASP A 1099 0.704 0.6396 0.5013 0.2289 -0.2253 -0.1787 +1607 C ? CA ? ASP A 218 CA ? ASP A 1099 0.7632 0.6523 0.5317 0.2434 -0.2473 -0.1847 +1608 C ? C ? ASP A 218 C ? ASP A 1099 0.8228 0.7413 0.6007 0.2464 -0.2337 -0.1784 +1609 O ? O ? ASP A 218 O ? ASP A 1099 0.7976 0.7343 0.5982 0.2195 -0.216 -0.163 +1610 C ? CB ? ASP A 218 CB ? ASP A 1099 0.8221 0.6471 0.5771 0.2165 -0.2655 -0.1761 +1611 C ? CG ? ASP A 218 CG ? ASP A 1099 1.0013 0.7673 0.7239 0.2257 -0.2909 -0.179 +1612 O ? OD1 ? ASP A 218 OD1 ? ASP A 1099 1.0101 0.7821 0.7179 0.2577 -0.2963 -0.1901 +1613 O -1 OD2 ? ASP A 218 OD2 ? ASP A 1099 1.1139 0.8292 0.8255 0.2006 -0.3057 -0.1693 +1614 N ? N ? SER A 219 N ? SER A 1100 0.8113 0.7377 0.5717 0.2806 -0.2422 -0.191 +1615 C ? CA ? SER A 219 CA ? SER A 1100 0.796 0.7532 0.5623 0.2886 -0.232 -0.1876 +1616 C ? C ? SER A 219 C ? SER A 1100 0.8531 0.7723 0.6152 0.267 -0.2367 -0.1749 +1617 O ? O ? SER A 219 O ? SER A 1100 0.8222 0.7737 0.6017 0.2569 -0.2201 -0.1654 +1618 C ? CB ? SER A 219 CB ? SER A 1100 0.886 0.8532 0.6292 0.3322 -0.2453 -0.2054 +1619 O ? OG ? SER A 219 OG ? SER A 1100 1.0024 1.0386 0.7614 0.3487 -0.229 -0.2111 +1620 N ? N ? SER A 220 N ? SER A 1101 0.863 0.7142 0.6013 0.2587 -0.2599 -0.174 +1621 C ? CA ? SER A 220 CA ? SER A 1101 0.8807 0.6915 0.6118 0.236 -0.2669 -0.1601 +1622 C ? C ? SER A 220 C ? SER A 1101 0.8794 0.7146 0.6414 0.1966 -0.2446 -0.1413 +1623 O ? O ? SER A 220 O ? SER A 1101 0.8871 0.7139 0.6511 0.1796 -0.2417 -0.1289 +1624 C ? CB ? SER A 220 CB ? SER A 1101 0.9928 0.7255 0.6908 0.233 -0.2981 -0.1621 +1625 O ? OG ? SER A 220 OG ? SER A 1101 1.1267 0.8423 0.8317 0.2064 -0.2999 -0.1562 +1626 N ? N ? GLN A 221 N ? GLN A 1102 0.7797 0.6455 0.5642 0.1842 -0.2296 -0.1398 +1627 C ? CA ? GLN A 221 CA ? GLN A 1102 0.719 0.6103 0.5321 0.151 -0.2091 -0.1247 +1628 C ? C ? GLN A 221 C ? GLN A 1102 0.6864 0.6428 0.5281 0.1536 -0.1821 -0.1242 +1629 O ? O ? GLN A 221 O ? GLN A 1102 0.6442 0.6227 0.5086 0.1302 -0.1654 -0.114 +1630 C ? CB ? GLN A 221 CB ? GLN A 1102 0.7419 0.6108 0.5559 0.132 -0.216 -0.1219 +1631 C ? CG ? GLN A 221 CG ? GLN A 1102 0.9659 0.7694 0.7534 0.1202 -0.2427 -0.1184 +1632 C ? CD ? GLN A 221 CD ? GLN A 1102 1.2366 1.0254 1.0272 0.0997 -0.2489 -0.1155 +1633 O ? OE1 ? GLN A 221 OE1 ? GLN A 1102 1.1538 0.9319 0.9506 0.068 -0.2491 -0.1007 +1634 N ? NE2 ? GLN A 221 NE2 ? GLN A 1102 1.1762 0.9676 0.9624 0.1175 -0.2543 -0.1294 +1635 N ? N ? SER A 222 N ? SER A 1103 0.6217 0.6092 0.4617 0.1811 -0.1787 -0.1346 +1636 C ? CA ? SER A 222 CA ? SER A 1103 0.5752 0.6231 0.44 0.1821 -0.1555 -0.1329 +1637 C ? C ? SER A 222 C ? SER A 1103 0.6227 0.6923 0.5073 0.1598 -0.1378 -0.1198 +1638 O ? O ? SER A 222 O ? SER A 1103 0.6423 0.6906 0.5183 0.1546 -0.1437 -0.1152 +1639 C ? CB ? SER A 222 CB ? SER A 1103 0.6206 0.7004 0.4778 0.2147 -0.1571 -0.1452 +1640 O ? OG ? SER A 222 OG ? SER A 1103 0.7688 0.8483 0.6164 0.2256 -0.1617 -0.146 +1641 N ? N ? PRO A 223 N ? PRO A 1104 0.537 0.647 0.4461 0.1474 -0.1173 -0.1141 +1642 C ? CA ? PRO A 223 CA ? PRO A 1104 0.5109 0.6386 0.4365 0.1278 -0.1022 -0.1035 +1643 C ? C ? PRO A 223 C ? PRO A 1104 0.5836 0.7247 0.5057 0.1356 -0.1015 -0.1036 +1644 O ? O ? PRO A 223 O ? PRO A 1104 0.5804 0.7086 0.5037 0.1203 -0.0999 -0.096 +1645 C ? CB ? PRO A 223 CB ? PRO A 1104 0.4937 0.6586 0.4408 0.1195 -0.0844 -0.1002 +1646 C ? CG ? PRO A 223 CG ? PRO A 1104 0.5485 0.7044 0.4917 0.1259 -0.0903 -0.1054 +1647 C ? CD ? PRO A 223 CD ? PRO A 1104 0.5279 0.6655 0.4487 0.1504 -0.1084 -0.1166 +1648 N ? N ? PRO A 224 N ? PRO A 1105 0.5572 0.7261 0.4744 0.1589 -0.1031 -0.1116 +1649 C ? CA ? PRO A 224 CA ? PRO A 1105 0.5558 0.7383 0.4697 0.1653 -0.1032 -0.1113 +1650 C ? C ? PRO A 224 C ? PRO A 1105 0.6352 0.7711 0.5272 0.1697 -0.1205 -0.1118 +1651 O ? O ? PRO A 224 O ? PRO A 1105 0.6452 0.7774 0.5384 0.159 -0.1181 -0.1051 +1652 C ? CB ? PRO A 224 CB ? PRO A 1105 0.577 0.8 0.4879 0.1919 -0.104 -0.1208 +1653 C ? CG ? PRO A 224 CG ? PRO A 1105 0.6143 0.8557 0.5345 0.1921 -0.0975 -0.1225 +1654 C ? CD ? PRO A 224 CD ? PRO A 1105 0.574 0.7677 0.4881 0.1811 -0.1051 -0.1213 +1655 N ? N ? THR A 225 N ? THR A 1106 0.6062 0.7037 0.4773 0.1836 -0.1387 -0.119 +1656 C ? CA ? THR A 225 CA ? THR A 1106 0.6385 0.682 0.4838 0.1884 -0.1596 -0.1194 +1657 C ? C ? THR A 225 C ? THR A 1106 0.6724 0.6859 0.5216 0.1566 -0.1582 -0.1053 +1658 O ? O ? THR A 225 O ? THR A 1106 0.6718 0.6663 0.5112 0.1517 -0.164 -0.0992 +1659 C ? CB ? THR A 225 CB ? THR A 1106 0.7423 0.7522 0.5644 0.2101 -0.1799 -0.1316 +1660 O ? OG1 ? THR A 225 OG1 ? THR A 1106 0.7301 0.7799 0.552 0.2392 -0.1778 -0.1444 +1661 C ? CG2 ? THR A 225 CG2 ? THR A 1106 0.7646 0.7162 0.5549 0.2206 -0.205 -0.134 +1662 N ? N ? LYS A 226 N ? LYS A 1107 0.621 0.6347 0.4845 0.1358 -0.1502 -0.0998 +1663 C ? CA ? LYS A 226 CA ? LYS A 1107 0.618 0.6123 0.4869 0.106 -0.1478 -0.0865 +1664 C ? C ? LYS A 226 C ? LYS A 1107 0.6645 0.6878 0.5506 0.0898 -0.1306 -0.0773 +1665 O ? O ? LYS A 226 O ? LYS A 1107 0.6735 0.6776 0.554 0.0742 -0.1343 -0.0675 +1666 C ? CB ? LYS A 226 CB ? LYS A 1107 0.6338 0.6228 0.5116 0.0912 -0.1458 -0.0844 +1667 C ? CG ? LYS A 226 CG ? LYS A 1107 0.7217 0.661 0.5765 0.0939 -0.169 -0.0876 +1668 C ? CD ? LYS A 226 CD ? LYS A 1107 0.7939 0.6949 0.6374 0.0701 -0.1804 -0.0745 +1669 C ? CE ? LYS A 226 CE ? LYS A 1107 0.9828 0.8287 0.8001 0.0716 -0.2066 -0.0771 +1670 N 1 NZ ? LYS A 226 NZ ? LYS A 1107 1.1217 0.9287 0.9245 0.0484 -0.22 -0.0625 +1671 N ? N ? PHE A 227 N ? PHE A 1108 0.607 0.6757 0.5126 0.093 -0.113 -0.08 +1672 C ? CA ? PHE A 227 CA ? PHE A 1108 0.593 0.6879 0.5134 0.0792 -0.0979 -0.0732 +1673 C ? C ? PHE A 227 C ? PHE A 1108 0.6925 0.7817 0.6008 0.0855 -0.1042 -0.0718 +1674 O ? O ? PHE A 227 O ? PHE A 1108 0.6844 0.7751 0.5965 0.0697 -0.0988 -0.0636 +1675 C ? CB ? PHE A 227 CB ? PHE A 1108 0.579 0.7179 0.5196 0.0803 -0.0809 -0.0761 +1676 C ? CG ? PHE A 227 CG ? PHE A 1108 0.5749 0.7227 0.532 0.0638 -0.0691 -0.072 +1677 C ? CD1 ? PHE A 227 CD1 ? PHE A 1108 0.5992 0.7437 0.5634 0.0438 -0.0624 -0.064 +1678 C ? CD2 ? PHE A 227 CD2 ? PHE A 1108 0.5833 0.7458 0.5481 0.0699 -0.0646 -0.0764 +1679 C ? CE1 ? PHE A 227 CE1 ? PHE A 1108 0.5869 0.7405 0.5648 0.0319 -0.0525 -0.0614 +1680 C ? CE2 ? PHE A 227 CE2 ? PHE A 1108 0.599 0.7686 0.5776 0.0565 -0.0547 -0.0727 +1681 C ? CZ ? PHE A 227 CZ ? PHE A 1108 0.5646 0.7292 0.5494 0.0384 -0.0489 -0.0657 +1682 N ? N ? LEU A 228 N ? LEU A 1109 0.7009 0.7845 0.5933 0.1099 -0.1163 -0.0802 +1683 C ? CA ? LEU A 228 CA ? LEU A 1109 0.7348 0.8105 0.6125 0.1199 -0.1249 -0.0798 +1684 C ? C ? LEU A 228 C ? LEU A 1109 0.874 0.8995 0.7326 0.1088 -0.1399 -0.0711 +1685 O ? O ? LEU A 228 O ? LEU A 1109 0.8717 0.8933 0.7262 0.1006 -0.1401 -0.0635 +1686 C ? CB ? LEU A 228 CB ? LEU A 1109 0.7549 0.8376 0.6185 0.1523 -0.1358 -0.0921 +1687 C ? CG ? LEU A 228 CG ? LEU A 1109 0.7829 0.9218 0.6631 0.1645 -0.1228 -0.0994 +1688 C ? CD1 ? LEU A 228 CD1 ? LEU A 1109 0.8072 0.9506 0.6712 0.1978 -0.1356 -0.1124 +1689 C ? CD2 ? LEU A 228 CD2 ? LEU A 1109 0.7845 0.9617 0.6775 0.1583 -0.1108 -0.0958 +1690 N ? N ? GLU A 229 N ? GLU A 1110 0.9013 0.8896 0.7485 0.1065 -0.1526 -0.0713 +1691 C ? CA ? GLU A 229 CA ? GLU A 1110 0.9584 0.8962 0.7865 0.0922 -0.1691 -0.0616 +1692 C ? C ? GLU A 229 C ? GLU A 1110 1.0433 0.9904 0.8856 0.0604 -0.1573 -0.0467 +1693 O ? O ? GLU A 229 O ? GLU A 1110 1.0646 0.9828 0.8927 0.0468 -0.1675 -0.0353 +1694 C ? CB ? GLU A 229 CB ? GLU A 1110 1.0012 0.9043 0.8177 0.0945 -0.1837 -0.066 +1695 C ? CG ? GLU A 229 CG ? GLU A 1110 1.1584 1.0379 0.9516 0.127 -0.2022 -0.0806 +1696 C ? CD ? GLU A 229 CD ? GLU A 1110 1.4066 1.2586 1.1907 0.1313 -0.2148 -0.0879 +1697 O ? OE1 ? GLU A 229 OE1 ? GLU A 1110 1.2911 1.1445 1.0646 0.1607 -0.2226 -0.1031 +1698 O -1 OE2 ? GLU A 229 OE2 ? GLU A 1110 1.3495 1.1781 1.1346 0.1061 -0.2186 -0.0785 +1699 N ? N ? LEU A 230 N ? LEU A 1111 0.9967 0.984 0.8655 0.0493 -0.1367 -0.0466 +1700 C ? CA ? LEU A 230 CA ? LEU A 1111 0.9896 0.9943 0.8736 0.0233 -0.1235 -0.0352 +1701 C ? C ? LEU A 230 C ? LEU A 1111 1.0655 1.0816 0.9481 0.0174 -0.1188 -0.0283 +1702 O ? O ? LEU A 230 O ? LEU A 1111 1.0576 1.0803 0.9452 -0.0032 -0.1132 -0.0174 +1703 C ? CB ? LEU A 230 CB ? LEU A 1111 0.9507 0.9934 0.8601 0.0188 -0.1044 -0.0394 +1704 C ? CG ? LEU A 230 CG ? LEU A 1111 1.0116 1.047 0.9264 0.0111 -0.1056 -0.0395 +1705 C ? CD1 ? LEU A 230 CD1 ? LEU A 1111 0.9728 1.042 0.908 0.0156 -0.0897 -0.0464 +1706 C ? CD2 ? LEU A 230 CD2 ? LEU A 1111 1.0559 1.0861 0.9728 -0.0143 -0.1056 -0.0267 +1707 N ? N ? ILE A 231 N ? ILE A 1112 1.0499 1.0719 0.9255 0.0363 -0.1213 -0.0347 +1708 C ? CA ? ILE A 231 CA ? ILE A 1112 1.0619 1.0937 0.9338 0.0342 -0.119 -0.0294 +1709 C ? C ? ILE A 231 C ? ILE A 1112 1.1829 1.1789 1.0274 0.0493 -0.1393 -0.0289 +1710 O ? O ? ILE A 231 O ? ILE A 1112 1.1996 1.1843 1.0327 0.0418 -0.1443 -0.0192 +1711 C ? CB ? ILE A 231 CB ? ILE A 1112 1.068 1.1449 0.9573 0.0414 -0.103 -0.0369 +1712 C ? CG1 ? ILE A 231 CG1 ? ILE A 1112 1.0389 1.1437 0.95 0.0392 -0.0884 -0.0433 +1713 C ? CG2 ? ILE A 231 CG2 ? ILE A 1112 1.0724 1.1655 0.9648 0.0284 -0.0953 -0.0294 +1714 C ? CD1 ? ILE A 231 CD1 ? ILE A 1112 1.1051 1.2413 1.0249 0.0541 -0.0818 -0.0528 +1715 N ? N ? GLY A 232 N ? GLY A 1113 1.1728 1.1521 1.0059 0.0718 -0.151 -0.0396 +1716 C ? CA ? GLY A 232 CA ? GLY A 1113 1.2207 1.1639 1.0253 0.0926 -0.1723 -0.0426 +1717 C ? C ? GLY A 232 C ? GLY A 1113 1.2656 1.24 1.071 0.116 -0.1689 -0.0517 +1718 O ? O ? GLY A 232 O ? GLY A 1113 1.2873 1.2476 1.0752 0.125 -0.1792 -0.0489 +1719 N ? N ? ILE A 233 N ? ILE A 1114 1.1866 1.2055 1.0124 0.1248 -0.1545 -0.0618 +1720 C ? CA ? ILE A 233 CA ? ILE A 1114 1.1698 1.2305 1.0014 0.1442 -0.1488 -0.0703 +1721 C ? C ? ILE A 233 C ? ILE A 1114 1.2281 1.2942 1.0509 0.1747 -0.1579 -0.0844 +1722 O ? O ? ILE A 233 O ? ILE A 1114 1.2242 1.2757 1.0463 0.1767 -0.1612 -0.0887 +1723 C ? CB ? ILE A 233 CB ? ILE A 1114 1.1603 1.2723 1.0215 0.1275 -0.1256 -0.0688 +1724 C ? CG1 ? ILE A 233 CG1 ? ILE A 1114 1.1379 1.2645 1.0177 0.1189 -0.1143 -0.0716 +1725 C ? CG2 ? ILE A 233 CG2 ? ILE A 1114 1.1654 1.2738 1.0308 0.1033 -0.1189 -0.057 +1726 C ? CD1 ? ILE A 233 CD1 ? ILE A 1114 1.1923 1.3682 1.0957 0.1125 -0.0964 -0.0739 +1727 N ? N ? ALA A 234 N ? ALA A 1115 1.1893 1.2798 1.0049 0.1993 -0.1621 -0.092 +1728 C ? CA ? ALA A 234 CA ? ALA A 1115 1.1963 1.302 1.002 0.233 -0.1709 -0.1064 +1729 C ? C ? ALA A 234 C ? ALA A 1115 1.1894 1.3388 1.0174 0.2324 -0.1564 -0.1123 +1730 O ? O ? ALA A 234 O ? ALA A 1115 1.1458 1.3202 0.9984 0.2071 -0.1382 -0.1055 +1731 C ? CB ? ALA A 234 CB ? ALA A 1115 1.2124 1.3499 1.0117 0.2554 -0.1742 -0.1115 +1732 N ? N ? GLN A 235 N ? GLN A 1116 1.1395 1.298 0.957 0.2618 -0.1654 -0.125 +1733 C ? CA ? GLN A 235 CA ? GLN A 1116 1.0984 1.2985 0.9324 0.266 -0.1545 -0.1311 +1734 C ? C ? GLN A 235 C ? GLN A 1116 1.0593 1.3279 0.9227 0.2525 -0.1327 -0.1271 +1735 O ? O ? GLN A 235 O ? GLN A 1116 1.0294 1.3307 0.9076 0.2501 -0.1226 -0.1287 +1736 C ? CB ? GLN A 235 CB ? GLN A 1116 1.1507 1.3528 0.964 0.305 -0.17 -0.1466 +1737 C ? CG ? GLN A 235 CG ? GLN A 1116 1.4494 1.5851 1.239 0.3122 -0.1889 -0.1514 +1738 C ? CD ? GLN A 235 CD ? GLN A 1116 1.7395 1.8803 1.5097 0.3512 -0.2031 -0.1686 +1739 O ? OE1 ? GLN A 235 OE1 ? GLN A 1116 1.6568 1.848 1.4407 0.3601 -0.1928 -0.1745 +1740 N ? NE2 ? GLN A 235 NE2 ? GLN A 1116 1.6952 1.7814 1.4313 0.3754 -0.2284 -0.1769 +1741 N ? N ? GLY A 236 N ? GLY A 1117 0.9725 1.2595 0.8427 0.2425 -0.1269 -0.1212 +1742 C ? CA ? GLY A 236 CA ? GLY A 1117 0.9151 1.2605 0.8104 0.2269 -0.1091 -0.1167 +1743 C ? C ? GLY A 236 C ? GLY A 1117 0.9138 1.2571 0.8158 0.2059 -0.1032 -0.1082 +1744 O ? O ? GLY A 236 O ? GLY A 1117 0.9165 1.2998 0.8232 0.2102 -0.1006 -0.109 +1745 N ? N ? GLN A 237 N ? GLN A 1118 0.8138 1.1135 0.7159 0.1834 -0.1016 -0.1002 +1746 C ? CA ? GLN A 237 CA ? GLN A 1118 0.7709 1.0662 0.6785 0.1623 -0.0956 -0.092 +1747 C ? C ? GLN A 237 C ? GLN A 1118 0.6989 0.991 0.6252 0.1327 -0.0812 -0.0851 +1748 O ? O ? GLN A 237 O ? GLN A 1118 0.6726 0.9605 0.6043 0.1139 -0.075 -0.079 +1749 C ? CB ? GLN A 237 CB ? GLN A 1118 0.8233 1.0706 0.7081 0.1669 -0.1098 -0.0885 +1750 C ? CG ? GLN A 237 CG ? GLN A 1118 0.985 1.2454 0.8698 0.16 -0.1077 -0.0839 +1751 C ? CD ? GLN A 237 CD ? GLN A 1118 1.2466 1.4599 1.1084 0.1621 -0.1215 -0.078 +1752 O ? OE1 ? GLN A 237 OE1 ? GLN A 1118 1.2252 1.4096 1.064 0.1844 -0.1386 -0.0816 +1753 N ? NE2 ? GLN A 237 NE2 ? GLN A 1118 1.1237 1.3289 0.9896 0.1396 -0.1153 -0.0687 +1754 N ? N ? MET A 238 N ? MET A 1119 0.5739 0.8696 0.5089 0.1308 -0.0763 -0.0869 +1755 C ? CA ? MET A 238 CA ? MET A 1119 0.5117 0.8059 0.4632 0.1069 -0.0637 -0.0816 +1756 C ? C ? MET A 238 C ? MET A 1119 0.4606 0.8002 0.4303 0.0966 -0.0514 -0.0809 +1757 O ? O ? MET A 238 O ? MET A 1119 0.444 0.8166 0.4196 0.1054 -0.0493 -0.0841 +1758 C ? CB ? MET A 238 CB ? MET A 1119 0.537 0.8124 0.4882 0.1091 -0.065 -0.0831 +1759 C ? CG ? MET A 238 CG ? MET A 1119 0.5589 0.826 0.5239 0.0863 -0.054 -0.0774 +1760 S ? SD ? MET A 238 SD ? MET A 1119 0.6208 0.8461 0.5789 0.07 -0.0569 -0.0701 +1761 C ? CE ? MET A 238 CE ? MET A 1119 0.601 0.7898 0.5462 0.0786 -0.0692 -0.0717 +1762 N ? N ? THR A 239 N ? THR A 1120 0.3527 0.6941 0.3299 0.0778 -0.0443 -0.0765 +1763 C ? CA ? THR A 239 CA ? THR A 1120 0.3149 0.6901 0.3073 0.0634 -0.0345 -0.0751 +1764 C ? C ? THR A 239 C ? THR A 1120 0.342 0.7047 0.345 0.0461 -0.0258 -0.0718 +1765 O ? O ? THR A 239 O ? THR A 1120 0.3437 0.6745 0.3428 0.0444 -0.0266 -0.0706 +1766 C ? CB ? THR A 239 CB ? THR A 1120 0.326 0.7085 0.3175 0.0552 -0.0341 -0.0741 +1767 O ? OG1 ? THR A 239 OG1 ? THR A 1120 0.3282 0.6806 0.3182 0.0414 -0.0313 -0.0709 +1768 C ? CG2 ? THR A 239 CG2 ? THR A 1120 0.2736 0.6625 0.252 0.0739 -0.0441 -0.0769 +1769 N ? N ? VAL A 240 N ? VAL A 1121 0.2602 0.6477 0.2755 0.0331 -0.0185 -0.07 +1770 C ? CA ? VAL A 240 CA ? VAL A 1121 0.228 0.6027 0.2514 0.0179 -0.0114 -0.067 +1771 C ? C ? VAL A 240 C ? VAL A 1121 0.2892 0.6355 0.3105 0.0069 -0.0092 -0.0666 +1772 O ? O ? VAL A 240 O ? VAL A 1121 0.2715 0.5972 0.2946 0.0014 -0.0058 -0.0654 +1773 C ? CB ? VAL A 240 CB ? VAL A 1121 0.2516 0.6559 0.2858 0.0055 -0.0065 -0.0639 +1774 C ? CG1 ? VAL A 240 CG1 ? VAL A 1121 0.2438 0.6614 0.2804 -0.0079 -0.0061 -0.0637 +1775 C ? CG2 ? VAL A 240 CG2 ? VAL A 1121 0.24 0.6283 0.2795 -0.0052 -0.0013 -0.0606 +1776 N ? N ? LEU A 241 N ? LEU A 1122 0.2792 0.6276 0.2958 0.0053 -0.0114 -0.0677 +1777 C ? CA ? LEU A 241 CA ? LEU A 1122 0.2876 0.6164 0.3009 -0.0035 -0.0096 -0.0676 +1778 C ? C ? LEU A 241 C ? LEU A 1122 0.3223 0.6253 0.327 0.0025 -0.0129 -0.0655 +1779 O ? O ? LEU A 241 O ? LEU A 1122 0.292 0.5791 0.2976 -0.0049 -0.0093 -0.0642 +1780 C ? CB ? LEU A 241 CB ? LEU A 1122 0.298 0.6421 0.3089 -0.0074 -0.0111 -0.0693 +1781 C ? CG ? LEU A 241 CG ? LEU A 1122 0.3852 0.7164 0.3922 -0.0161 -0.0091 -0.0703 +1782 C ? CD1 ? LEU A 241 CD1 ? LEU A 1122 0.3966 0.7152 0.4087 -0.0268 -0.0034 -0.0718 +1783 C ? CD2 ? LEU A 241 CD2 ? LEU A 1122 0.4315 0.782 0.4366 -0.0196 -0.0112 -0.0729 +1784 N ? N A ARG A 242 N A ARG A 1123 0.2948 0.594 0.2904 0.0156 -0.0208 -0.065 +1785 N ? N B ARG A 242 N B ARG A 1123 0.2962 0.5951 0.2916 0.0156 -0.0209 -0.065 +1786 C ? CA A ARG A 242 CA A ARG A 1123 0.3086 0.5801 0.2935 0.0196 -0.0271 -0.0616 +1787 C ? CA B ARG A 242 CA B ARG A 1123 0.3107 0.5817 0.2955 0.0196 -0.0271 -0.0616 +1788 C ? C A ARG A 242 C A ARG A 1123 0.3523 0.6091 0.3414 0.0176 -0.0251 -0.0607 +1789 C ? C B ARG A 242 C B ARG A 1123 0.3534 0.6091 0.3418 0.0184 -0.0257 -0.0607 +1790 O ? O A ARG A 242 O A ARG A 1123 0.3516 0.5922 0.3398 0.0092 -0.0237 -0.057 +1791 O ? O B ARG A 242 O B ARG A 1123 0.3539 0.5909 0.3396 0.0113 -0.0259 -0.0567 +1792 C ? CB A ARG A 242 CB A ARG A 1123 0.3396 0.6065 0.3114 0.0365 -0.0384 -0.0626 +1793 C ? CB B ARG A 242 CB B ARG A 1123 0.3475 0.6133 0.3186 0.0358 -0.0386 -0.0622 +1794 C ? CG A ARG A 242 CG A ARG A 1123 0.5121 0.7466 0.4686 0.0376 -0.0477 -0.0573 +1795 C ? CG B ARG A 242 CG B ARG A 1123 0.5466 0.779 0.5027 0.0364 -0.0477 -0.0567 +1796 C ? CD A ARG A 242 CD A ARG A 1123 0.6726 0.8995 0.6132 0.0561 -0.0607 -0.0592 +1797 C ? CD B ARG A 242 CD B ARG A 1123 0.7455 0.9763 0.6953 0.0287 -0.0481 -0.0519 +1798 N ? NE A ARG A 242 NE A ARG A 1123 0.7834 0.9934 0.7101 0.0538 -0.0676 -0.0532 +1799 N ? NE B ARG A 242 NE B ARG A 1123 0.8922 1.0997 0.8363 0.0169 -0.0496 -0.0438 +1800 C ? CZ A ARG A 242 CZ A ARG A 1123 1.0052 1.2085 0.9162 0.0691 -0.0791 -0.0539 +1801 C ? CZ B ARG A 242 CZ B ARG A 1123 1.1187 1.301 1.0462 0.0177 -0.0607 -0.0367 +1802 N ? NH1 A ARG A 242 NH1 A ARG A 1123 0.8551 1.0706 0.7626 0.0897 -0.0848 -0.0617 +1803 N ? NH1 B ARG A 242 NH1 B ARG A 1123 0.9635 1.1309 0.8877 0.0035 -0.0613 -0.0278 +1804 N 1 NH2 A ARG A 242 NH2 A ARG A 1123 0.8904 1.0771 0.7881 0.065 -0.0852 -0.0468 +1805 N 1 NH2 B ARG A 242 NH2 B ARG A 1123 0.9887 1.1613 0.9019 0.0327 -0.0722 -0.0379 +1806 N ? N ? LEU A 243 N ? LEU A 1124 0.2869 0.5545 0.2816 0.0246 -0.0242 -0.0638 +1807 C ? CA ? LEU A 243 CA ? LEU A 1124 0.2651 0.5221 0.2639 0.0244 -0.0226 -0.0635 +1808 C ? C ? LEU A 243 C ? LEU A 1124 0.3173 0.5731 0.3258 0.0102 -0.0133 -0.0618 +1809 O ? O ? LEU A 243 O ? LEU A 1124 0.3138 0.5542 0.3225 0.0068 -0.013 -0.0599 +1810 C ? CB ? LEU A 243 CB ? LEU A 1124 0.2526 0.5271 0.2545 0.0357 -0.0234 -0.067 +1811 C ? CG ? LEU A 243 CG ? LEU A 1124 0.2908 0.5557 0.295 0.0386 -0.0233 -0.0674 +1812 C ? CD1 ? LEU A 243 CD1 ? LEU A 1124 0.3026 0.5362 0.2957 0.0426 -0.0325 -0.067 +1813 C ? CD2 ? LEU A 243 CD2 ? LEU A 1124 0.287 0.5755 0.2929 0.0514 -0.0242 -0.0708 +1814 N ? N ? THR A 244 N ? THR A 1125 0.2702 0.5415 0.2854 0.0024 -0.007 -0.0629 +1815 C ? CA ? THR A 244 CA ? THR A 1125 0.2637 0.5312 0.285 -0.0085 0 -0.063 +1816 C ? C ? THR A 244 C ? THR A 1125 0.3256 0.5807 0.3425 -0.0132 0.0006 -0.0616 +1817 O ? O ? THR A 244 O ? THR A 1125 0.3149 0.5624 0.3345 -0.0162 0.0039 -0.061 +1818 C ? CB ? THR A 244 CB ? THR A 1125 0.2915 0.5737 0.317 -0.0159 0.0031 -0.0648 +1819 O ? OG1 ? THR A 244 OG1 ? THR A 1125 0.3306 0.6262 0.3616 -0.0146 0.0037 -0.0637 +1820 C ? CG2 ? THR A 244 CG2 ? THR A 1125 0.2422 0.5149 0.2691 -0.025 0.0076 -0.0667 +1821 N ? N ? GLU A 245 N ? GLU A 1126 0.2977 0.5543 0.3076 -0.0132 -0.0027 -0.0607 +1822 C ? CA ? GLU A 245 CA ? GLU A 1126 0.2956 0.5462 0.3002 -0.0184 -0.0025 -0.0577 +1823 C ? C ? GLU A 245 C ? GLU A 1126 0.3469 0.5834 0.3482 -0.0188 -0.0061 -0.0522 +1824 O ? O ? GLU A 245 O ? GLU A 1126 0.3437 0.5809 0.346 -0.0252 -0.0027 -0.0498 +1825 C ? CB ? GLU A 245 CB ? GLU A 1126 0.3193 0.5751 0.3158 -0.0178 -0.0063 -0.0567 +1826 C ? CG ? GLU A 245 CG ? GLU A 1126 0.4379 0.7087 0.4371 -0.0209 -0.0028 -0.062 +1827 C ? CD ? GLU A 245 CD ? GLU A 1126 0.619 0.8983 0.6107 -0.0189 -0.0072 -0.0615 +1828 O ? OE1 ? GLU A 245 OE1 ? GLU A 1126 0.3676 0.6595 0.3607 -0.0227 -0.0052 -0.066 +1829 O -1 OE2 ? GLU A 245 OE2 ? GLU A 1126 0.5361 0.8077 0.5193 -0.0134 -0.0137 -0.0567 +1830 N ? N A LEU A 246 N A LEU A 1127 0.3037 0.5288 0.3003 -0.0117 -0.0138 -0.0507 +1831 N ? N B LEU A 246 N B LEU A 1127 0.3131 0.5383 0.3096 -0.0117 -0.0138 -0.0508 +1832 C ? CA A LEU A 246 CA A LEU A 1127 0.3088 0.5163 0.3004 -0.0134 -0.0199 -0.0457 +1833 C ? CA B LEU A 246 CA B LEU A 1127 0.3225 0.5298 0.3138 -0.0126 -0.0203 -0.046 +1834 C ? C A LEU A 246 C A LEU A 1127 0.3391 0.5485 0.3403 -0.0167 -0.0144 -0.0466 +1835 C ? C B LEU A 246 C B LEU A 1127 0.3463 0.555 0.3471 -0.0162 -0.0149 -0.0467 +1836 O ? O A LEU A 246 O A LEU A 1127 0.3268 0.5327 0.3279 -0.0245 -0.0147 -0.0418 +1837 O ? O B LEU A 246 O B LEU A 1127 0.3361 0.5403 0.3363 -0.0239 -0.0157 -0.0417 +1838 C ? CB A LEU A 246 CB A LEU A 1127 0.3241 0.5158 0.3064 -0.0022 -0.0311 -0.0466 +1839 C ? CB B LEU A 246 CB B LEU A 1127 0.3407 0.5345 0.323 -0.0003 -0.031 -0.0476 +1840 C ? CG A LEU A 246 CG A LEU A 1127 0.3961 0.5818 0.3658 0.005 -0.0396 -0.0459 +1841 C ? CG B LEU A 246 CG B LEU A 1127 0.424 0.5935 0.3984 0.0004 -0.0409 -0.0445 +1842 C ? CD1 A LEU A 246 CD1 A LEU A 1127 0.4045 0.5874 0.3689 0.022 -0.047 -0.0518 +1843 C ? CD1 B LEU A 246 CD1 B LEU A 1127 0.4626 0.6093 0.4191 0.0058 -0.055 -0.0415 +1844 C ? CD2 A LEU A 246 CD2 A LEU A 1127 0.4438 0.6075 0.4001 -0.0022 -0.0486 -0.0372 +1845 C ? CD2 B LEU A 246 CD2 B LEU A 1127 0.4362 0.6065 0.4151 0.0103 -0.0414 -0.0505 +1846 N ? N ? LEU A 247 N ? LEU A 1128 0.2904 0.5075 0.2995 -0.0111 -0.0098 -0.052 +1847 C ? CA ? LEU A 247 CA ? LEU A 1128 0.2868 0.5055 0.3042 -0.0123 -0.0048 -0.0531 +1848 C ? C ? LEU A 247 C ? LEU A 1128 0.3551 0.5824 0.3772 -0.0194 0.0029 -0.0533 +1849 O ? O ? LEU A 247 O ? LEU A 1128 0.3539 0.5819 0.3791 -0.0222 0.0045 -0.0515 +1850 C ? CB ? LEU A 247 CB ? LEU A 1128 0.2755 0.5012 0.2984 -0.0057 -0.0022 -0.0571 +1851 C ? CG ? LEU A 247 CG ? LEU A 1128 0.3319 0.5563 0.3505 0.0049 -0.0091 -0.0587 +1852 C ? CD1 ? LEU A 247 CD1 ? LEU A 1128 0.3195 0.5594 0.3447 0.0089 -0.0047 -0.0608 +1853 C ? CD2 ? LEU A 247 CD2 ? LEU A 1128 0.3783 0.5866 0.392 0.0083 -0.0164 -0.0577 +1854 N ? N ? GLU A 248 N ? GLU A 1129 0.3183 0.5535 0.3398 -0.0213 0.0066 -0.056 +1855 C ? CA ? GLU A 248 CA ? GLU A 1129 0.3202 0.5632 0.3429 -0.0248 0.0125 -0.0583 +1856 C ? C ? GLU A 248 C ? GLU A 1129 0.3713 0.6203 0.3904 -0.0301 0.0119 -0.053 +1857 O ? O ? GLU A 248 O ? GLU A 1129 0.3467 0.6061 0.3682 -0.0311 0.0164 -0.054 +1858 C ? CB ? GLU A 248 CB ? GLU A 1129 0.341 0.5886 0.3615 -0.0255 0.0142 -0.0631 +1859 C ? CG ? GLU A 248 CG ? GLU A 1129 0.4671 0.7116 0.4916 -0.0244 0.0158 -0.0674 +1860 C ? CD ? GLU A 248 CD ? GLU A 1129 0.8273 1.0746 0.8492 -0.0278 0.0156 -0.0719 +1861 O ? OE1 ? GLU A 248 OE1 ? GLU A 1129 0.998 1.2387 1.0197 -0.0293 0.0169 -0.0761 +1862 O -1 OE2 ? GLU A 248 OE2 ? GLU A 1129 0.6511 0.9054 0.6698 -0.0291 0.013 -0.0712 +1863 N ? N ? ARG A 249 N ? ARG A 1130 0.3432 0.5864 0.3556 -0.0333 0.0054 -0.0469 +1864 C ? CA ? ARG A 249 CA ? ARG A 1130 0.3532 0.6002 0.3603 -0.0416 0.0026 -0.0385 +1865 C ? C ? ARG A 249 C ? ARG A 1130 0.4139 0.6566 0.4236 -0.0463 -0.0005 -0.0332 +1866 O ? O ? ARG A 249 O ? ARG A 1130 0.429 0.6757 0.4349 -0.0563 -0.0038 -0.0244 +1867 C ? CB ? ARG A 249 CB ? ARG A 1130 0.3916 0.6269 0.3878 -0.0429 -0.0057 -0.0332 +1868 C ? CG ? ARG A 249 CG ? ARG A 1130 0.6046 0.8526 0.5945 -0.0489 -0.0044 -0.0288 +1869 C ? CD ? ARG A 249 CD ? ARG A 1130 0.7824 1.0149 0.7594 -0.0518 -0.0147 -0.0204 +1870 N ? NE ? ARG A 249 NE ? ARG A 1130 0.9602 1.1842 0.9332 -0.0415 -0.0185 -0.0259 +1871 C ? CZ ? ARG A 249 CZ ? ARG A 1130 1.1634 1.3663 1.1276 -0.0355 -0.029 -0.0242 +1872 N ? NH1 ? ARG A 249 NH1 ? ARG A 1130 1.025 1.2069 0.9822 -0.0397 -0.038 -0.0172 +1873 N 1 NH2 ? ARG A 249 NH2 ? ARG A 1130 0.9781 1.1811 0.9395 -0.0246 -0.0315 -0.0298 +1874 N ? N ? GLY A 250 N ? GLY A 1131 0.3524 0.5879 0.368 -0.0403 -0.0002 -0.0376 +1875 C ? CA ? GLY A 250 CA ? GLY A 1131 0.3486 0.5806 0.3672 -0.0436 -0.0034 -0.0342 +1876 C ? C ? GLY A 250 C ? GLY A 1131 0.4045 0.614 0.4148 -0.0461 -0.0155 -0.0294 +1877 O ? O ? GLY A 250 O ? GLY A 1131 0.4064 0.612 0.4174 -0.0522 -0.0203 -0.0253 +1878 N ? N ? GLU A 251 N ? GLU A 1132 0.3688 0.5629 0.3702 -0.0405 -0.0218 -0.0304 +1879 C ? CA ? GLU A 251 CA ? GLU A 1132 0.3771 0.5447 0.3669 -0.0388 -0.0356 -0.0278 +1880 C ? C ? GLU A 251 C ? GLU A 1132 0.3854 0.5459 0.3781 -0.0273 -0.0376 -0.0352 +1881 O ? O ? GLU A 251 O ? GLU A 1132 0.3605 0.5331 0.3604 -0.0178 -0.0303 -0.0421 +1882 C ? CB ? GLU A 251 CB ? GLU A 1132 0.4109 0.5651 0.3876 -0.0352 -0.0431 -0.026 +1883 C ? CG ? GLU A 251 CG ? GLU A 1132 0.5806 0.7337 0.5498 -0.05 -0.0465 -0.0148 +1884 C ? CD ? GLU A 251 CD ? GLU A 1132 1.0585 1.1961 1.0124 -0.0485 -0.0553 -0.0104 +1885 O ? OE1 ? GLU A 251 OE1 ? GLU A 1132 1.1209 1.2516 1.0701 -0.0336 -0.0584 -0.0175 +1886 O -1 OE2 ? GLU A 251 OE2 ? GLU A 1132 1.1191 1.2543 1.0653 -0.0623 -0.0593 0.0009 +1887 N ? N ? ARG A 252 N ? ARG A 1133 0.3329 0.4763 0.3206 -0.0303 -0.0474 -0.033 +1888 C ? CA ? ARG A 252 CA ? ARG A 1133 0.3229 0.461 0.3126 -0.0198 -0.05 -0.0399 +1889 C ? C ? ARG A 252 C ? ARG A 1133 0.3883 0.495 0.362 -0.0147 -0.0673 -0.041 +1890 O ? O ? ARG A 252 O ? ARG A 1133 0.408 0.4935 0.369 -0.0233 -0.0783 -0.0343 +1891 C ? CB ? ARG A 252 CB ? ARG A 1133 0.2726 0.425 0.2742 -0.0271 -0.0437 -0.0387 +1892 C ? CG ? ARG A 252 CG ? ARG A 1133 0.3183 0.4985 0.3339 -0.0285 -0.0282 -0.0397 +1893 C ? CD ? ARG A 252 CD ? ARG A 1133 0.2995 0.4877 0.3201 -0.0159 -0.0209 -0.0469 +1894 N ? NE ? ARG A 252 NE ? ARG A 1133 0.3262 0.533 0.3567 -0.0173 -0.009 -0.0481 +1895 C ? CZ ? ARG A 252 CZ ? ARG A 1133 0.4544 0.6692 0.4855 -0.019 -0.0031 -0.0486 +1896 N ? NH1 ? ARG A 252 NH1 ? ARG A 1133 0.2354 0.4447 0.2592 -0.0202 -0.007 -0.0472 +1897 N 1 NH2 ? ARG A 252 NH2 ? ARG A 1133 0.287 0.5136 0.3243 -0.0184 0.0054 -0.0512 +1898 N ? N ? LEU A 253 N ? LEU A 1134 0.3431 0.446 0.3159 -0.0008 -0.0707 -0.0492 +1899 C ? CA ? LEU A 253 CA ? LEU A 1134 0.367 0.4391 0.323 0.0079 -0.0883 -0.0533 +1900 C ? C ? LEU A 253 C ? LEU A 1134 0.4169 0.4689 0.3678 -0.0102 -0.0987 -0.0458 +1901 O ? O ? LEU A 253 O ? LEU A 1134 0.3827 0.4548 0.3474 -0.024 -0.0894 -0.0406 +1902 C ? CB ? LEU A 253 CB ? LEU A 1134 0.3588 0.4397 0.3173 0.026 -0.0874 -0.0638 +1903 C ? CG ? LEU A 253 CG ? LEU A 1134 0.4014 0.5035 0.3622 0.0437 -0.0803 -0.0704 +1904 C ? CD1 ? LEU A 253 CD1 ? LEU A 1134 0.3782 0.5028 0.348 0.0547 -0.0732 -0.0765 +1905 C ? CD2 ? LEU A 253 CD2 ? LEU A 1134 0.4366 0.5185 0.378 0.0598 -0.0947 -0.0756 +1906 N ? N ? PRO A 254 N ? PRO A 1135 0.4181 0.4313 0.3485 -0.0116 -0.1185 -0.0442 +1907 C ? CA ? PRO A 254 CA ? PRO A 1135 0.4364 0.4316 0.3619 -0.0336 -0.1292 -0.0347 +1908 C ? C ? PRO A 254 C ? PRO A 1135 0.4813 0.4763 0.411 -0.0334 -0.133 -0.0399 +1909 O ? O ? PRO A 254 O ? PRO A 1135 0.4777 0.4827 0.4114 -0.0141 -0.1285 -0.0513 +1910 C ? CB ? PRO A 254 CB ? PRO A 1135 0.5072 0.455 0.4061 -0.0331 -0.1513 -0.0322 +1911 C ? CG ? PRO A 254 CG ? PRO A 1135 0.5708 0.5083 0.4596 -0.0035 -0.1561 -0.0466 +1912 C ? CD ? PRO A 254 CD ? PRO A 1135 0.471 0.454 0.3802 0.0066 -0.1335 -0.0508 +1913 N ? N A ARG A 255 N A ARG A 1136 0.45 0.4365 0.3786 -0.0554 -0.1414 -0.0311 +1914 N ? N B ARG A 255 N B ARG A 1136 0.4425 0.4292 0.3712 -0.0556 -0.1413 -0.031 +1915 C ? CA A ARG A 255 CA A ARG A 1136 0.4533 0.439 0.3849 -0.0579 -0.1469 -0.0352 +1916 C ? CA B ARG A 255 CA B ARG A 1136 0.4419 0.4279 0.3736 -0.0572 -0.1468 -0.0356 +1917 C ? C A ARG A 255 C A ARG A 1136 0.5568 0.4959 0.4644 -0.0439 -0.1696 -0.045 +1918 C ? C B ARG A 255 C B ARG A 1136 0.5516 0.4907 0.4592 -0.0435 -0.1695 -0.0451 +1919 O ? O A ARG A 255 O A ARG A 1136 0.5885 0.4865 0.4752 -0.0526 -0.1888 -0.0397 +1920 O ? O B ARG A 255 O B ARG A 1136 0.5831 0.4814 0.4699 -0.0524 -0.1886 -0.0397 +1921 C ? CB A ARG A 255 CB A ARG A 1136 0.4459 0.441 0.3836 -0.0879 -0.1498 -0.0215 +1922 C ? CB B ARG A 255 CB B ARG A 1136 0.414 0.4107 0.3527 -0.0864 -0.1491 -0.0226 +1923 C ? CG A ARG A 255 CG A ARG A 1136 0.5362 0.5362 0.479 -0.0933 -0.1551 -0.0246 +1924 C ? CG B ARG A 255 CG B ARG A 1136 0.4295 0.4347 0.375 -0.0881 -0.1519 -0.0275 +1925 C ? CD A ARG A 255 CD A ARG A 1136 0.6498 0.664 0.5985 -0.1248 -0.1586 -0.0096 +1926 C ? CD B ARG A 255 CD B ARG A 1136 0.4546 0.4784 0.4087 -0.1173 -0.1537 -0.0143 +1927 N ? NE A ARG A 255 NE A ARG A 1136 0.8291 0.8199 0.7684 -0.1362 -0.1778 -0.01 +1928 N ? NE B ARG A 255 NE B ARG A 1136 0.6069 0.5884 0.5409 -0.1366 -0.1787 -0.0073 +1929 C ? CZ A ARG A 255 CZ A ARG A 1136 1.042 0.9839 0.9581 -0.1495 -0.2025 -0.0052 +1930 C ? CZ B ARG A 255 CZ B ARG A 1136 0.7833 0.7636 0.7136 -0.1654 -0.1857 0.0096 +1931 N ? NH1 A ARG A 255 NH1 A ARG A 1136 0.8762 0.7973 0.7841 -0.1603 -0.2204 -0.0066 +1932 N ? NH1 B ARG A 255 NH1 B ARG A 1136 0.6515 0.5877 0.5612 -0.1839 -0.2109 0.0163 +1933 N 1 NH2 A ARG A 255 NH2 A ARG A 1136 0.9159 0.8271 0.8155 -0.1521 -0.2107 0.001 +1934 N 1 NH2 B ARG A 255 NH2 B ARG A 1136 0.6131 0.6361 0.5591 -0.1764 -0.1686 0.0202 +1935 N ? N ? PRO A 256 N ? PRO A 1137 0.5193 0.4629 0.4273 -0.021 -0.1686 -0.0592 +1936 C ? CA ? PRO A 256 CA ? PRO A 1137 0.5665 0.4678 0.4498 -0.0037 -0.1909 -0.0708 +1937 C ? C ? PRO A 256 C ? PRO A 1137 0.685 0.5481 0.5534 -0.0226 -0.2134 -0.0669 +1938 O ? O ? PRO A 256 O ? PRO A 1137 0.6683 0.5502 0.5508 -0.0457 -0.2087 -0.0579 +1939 C ? CB ? PRO A 256 CB ? PRO A 1137 0.5634 0.4914 0.4556 0.0197 -0.1814 -0.0843 +1940 C ? CG ? PRO A 256 CG ? PRO A 1137 0.5635 0.5401 0.4807 0.0193 -0.1551 -0.08 +1941 C ? CD ? PRO A 256 CD ? PRO A 1137 0.4995 0.4863 0.4285 -0.0092 -0.1486 -0.0652 +1942 N ? N ? ASP A 257 N ? ASP A 1138 0.7161 0.5255 0.555 -0.0135 -0.2388 -0.073 +1943 C ? CA ? ASP A 257 CA ? ASP A 1138 0.7694 0.533 0.5893 -0.0324 -0.2645 -0.0694 +1944 C ? C ? ASP A 257 C ? ASP A 1138 0.8067 0.5872 0.637 -0.0354 -0.2641 -0.0755 +1945 O ? O ? ASP A 257 O ? ASP A 1138 0.7839 0.5841 0.6192 -0.0097 -0.2566 -0.09 +1946 C ? CB ? ASP A 257 CB ? ASP A 1138 0.8603 0.5593 0.6434 -0.0148 -0.2933 -0.079 +1947 C ? CG ? ASP A 257 CG ? ASP A 1138 1.1282 0.7701 0.8877 -0.0399 -0.3228 -0.0714 +1948 O ? OD1 ? ASP A 257 OD1 ? ASP A 1138 1.1882 0.7951 0.9288 -0.03 -0.3437 -0.0841 +1949 O -1 OD2 ? ASP A 257 OD2 ? ASP A 1138 1.2503 0.8839 1.0098 -0.0708 -0.3255 -0.0522 +1950 N ? N ? LYS A 258 N ? LYS A 1139 0.7674 0.548 0.6033 -0.0682 -0.2699 -0.0628 +1951 C ? CA ? LYS A 258 CA ? LYS A 1139 0.7477 0.5473 0.5948 -0.0772 -0.2702 -0.0655 +1952 C ? C ? LYS A 258 C ? LYS A 1139 0.7184 0.5843 0.5977 -0.0697 -0.2404 -0.067 +1953 O ? O ? LYS A 258 O ? LYS A 1139 0.709 0.5941 0.598 -0.0723 -0.2393 -0.0707 +1954 C ? CB ? LYS A 258 CB ? LYS A 1139 0.8203 0.5747 0.6424 -0.0613 -0.2957 -0.0819 +1955 C ? CG ? LYS A 258 CG ? LYS A 1139 1.0613 0.7473 0.8519 -0.0795 -0.329 -0.0771 +1956 C ? CD ? LYS A 258 CD ? LYS A 1139 1.2395 0.8697 0.9968 -0.0499 -0.3547 -0.0974 +1957 C ? CE ? LYS A 258 CE ? LYS A 1139 1.395 1.0029 1.1414 -0.0557 -0.375 -0.106 +1958 N 1 NZ ? LYS A 258 NZ ? LYS A 1139 1.5846 1.1323 1.2942 -0.0263 -0.4033 -0.1264 +1959 N ? N ? CYS A 259 N ? CYS A 1140 0.6205 0.5196 0.5155 -0.0617 -0.2176 -0.0634 +1960 C ? CA ? CYS A 259 CA ? CYS A 1140 0.5568 0.5124 0.4794 -0.0554 -0.1911 -0.0637 +1961 C ? C ? CYS A 259 C ? CYS A 1140 0.5829 0.5713 0.524 -0.0841 -0.1826 -0.0493 +1962 O ? O ? CYS A 259 O ? CYS A 1140 0.574 0.5603 0.5144 -0.1043 -0.1834 -0.0362 +1963 C ? CB ? CYS A 259 CB ? CYS A 1140 0.5224 0.4976 0.4525 -0.0379 -0.1727 -0.0656 +1964 S ? SG ? CYS A 259 SG ? CYS A 1140 0.5094 0.5456 0.4699 -0.0329 -0.1425 -0.0642 +1965 N ? N ? PRO A 260 N ? PRO A 1141 0.5085 0.5305 0.4658 -0.0853 -0.1743 -0.0512 +1966 C ? CA ? PRO A 260 CA ? PRO A 1141 0.4887 0.549 0.464 -0.1098 -0.1658 -0.0384 +1967 C ? C ? PRO A 260 C ? PRO A 1141 0.4948 0.5912 0.4862 -0.1081 -0.1433 -0.0321 +1968 O ? O ? PRO A 260 O ? PRO A 1141 0.4612 0.5692 0.4587 -0.0858 -0.1288 -0.0399 +1969 C ? CB ? PRO A 260 CB ? PRO A 1141 0.4948 0.5815 0.4816 -0.1035 -0.1621 -0.0451 +1970 C ? CG ? PRO A 260 CG ? PRO A 1141 0.5665 0.6215 0.5379 -0.081 -0.1734 -0.0602 +1971 C ? CD ? PRO A 260 CD ? PRO A 1141 0.5117 0.5427 0.4715 -0.0634 -0.1719 -0.0648 +1972 N ? N ? CYS A 261 N ? CYS A 1142 0.455 0.5688 0.452 -0.1322 -0.1415 -0.0179 +1973 C ? CA ? CYS A 261 CA ? CYS A 1142 0.4306 0.579 0.4408 -0.1328 -0.1223 -0.0115 +1974 C ? C ? CYS A 261 C ? CYS A 1142 0.4083 0.5943 0.4361 -0.1128 -0.1017 -0.0194 +1975 O ? O ? CYS A 261 O ? CYS A 1142 0.3811 0.572 0.4118 -0.0988 -0.0889 -0.0226 +1976 C ? CB ? CYS A 261 CB ? CYS A 1142 0.4477 0.6213 0.4632 -0.1622 -0.1237 0.0048 +1977 S ? SG ? CYS A 261 SG ? CYS A 1142 0.5483 0.6754 0.5408 -0.1872 -0.146 0.018 +1978 N ? N ? GLU A 262 N ? GLU A 1143 0.3384 0.5464 0.3759 -0.1108 -0.1002 -0.0229 +1979 C ? CA ? GLU A 262 CA ? GLU A 1143 0.2943 0.5334 0.3459 -0.0916 -0.0832 -0.0298 +1980 C ? C ? GLU A 262 C ? GLU A 1143 0.3265 0.5454 0.3729 -0.0665 -0.0787 -0.0409 +1981 O ? O ? GLU A 262 O ? GLU A 1143 0.2956 0.5332 0.3507 -0.0527 -0.0635 -0.0438 +1982 C ? CB ? GLU A 262 CB ? GLU A 1143 0.3001 0.5686 0.3621 -0.0957 -0.084 -0.03 +1983 C ? CG ? GLU A 262 CG ? GLU A 1143 0.4139 0.6628 0.4695 -0.085 -0.0939 -0.0394 +1984 C ? CD ? GLU A 262 CD ? GLU A 1143 0.6297 0.9095 0.6957 -0.0875 -0.0942 -0.0401 +1985 O ? OE1 ? GLU A 262 OE1 ? GLU A 1143 0.4292 0.7403 0.5073 -0.0735 -0.0798 -0.0426 +1986 O -1 OE2 ? GLU A 262 OE2 ? GLU A 1143 0.5201 0.7905 0.5809 -0.1028 -0.1104 -0.0385 +1987 N ? N ? VAL A 263 N ? VAL A 1144 0.3044 0.4865 0.3357 -0.0605 -0.0928 -0.047 +1988 C ? CA ? VAL A 263 CA ? VAL A 1144 0.2953 0.4636 0.3208 -0.0372 -0.0896 -0.0569 +1989 C ? C ? VAL A 263 C ? VAL A 1144 0.3228 0.484 0.3455 -0.0343 -0.0827 -0.0546 +1990 O ? O ? VAL A 263 O ? VAL A 1144 0.3035 0.4755 0.3311 -0.0198 -0.0704 -0.0582 +1991 C ? CB ? VAL A 263 CB ? VAL A 1144 0.3727 0.5089 0.3817 -0.0283 -0.1072 -0.0658 +1992 C ? CG1 ? VAL A 263 CG1 ? VAL A 1144 0.362 0.4912 0.3647 -0.0038 -0.1034 -0.0751 +1993 C ? CG2 ? VAL A 263 CG2 ? VAL A 1144 0.3721 0.5186 0.3846 -0.0302 -0.1131 -0.0689 +1994 N ? N ? TYR A 264 N ? TYR A 1145 0.2868 0.4318 0.3019 -0.0499 -0.0908 -0.0474 +1995 C ? CA ? TYR A 264 CA ? TYR A 1145 0.2765 0.4169 0.2888 -0.0492 -0.0851 -0.0443 +1996 C ? C ? TYR A 264 C ? TYR A 1145 0.2965 0.4721 0.3246 -0.0503 -0.0663 -0.0405 +1997 O ? O ? TYR A 264 O ? TYR A 1145 0.2605 0.439 0.29 -0.0398 -0.0569 -0.0432 +1998 C ? CB ? TYR A 264 CB ? TYR A 1145 0.3177 0.4328 0.3171 -0.0668 -0.0991 -0.0359 +1999 C ? CG ? TYR A 264 CG ? TYR A 1145 0.3448 0.4551 0.3401 -0.0655 -0.0942 -0.0325 +2000 C ? CD1 ? TYR A 264 CD1 ? TYR A 1145 0.3626 0.4632 0.3528 -0.0455 -0.0911 -0.0408 +2001 C ? CD2 ? TYR A 264 CD2 ? TYR A 1145 0.3552 0.4736 0.3512 -0.0846 -0.0932 -0.0207 +2002 C ? CE1 ? TYR A 264 CE1 ? TYR A 1145 0.3703 0.4683 0.3568 -0.0444 -0.0871 -0.038 +2003 C ? CE2 ? TYR A 264 CE2 ? TYR A 1145 0.3616 0.4763 0.3531 -0.083 -0.0891 -0.0178 +2004 C ? CZ ? TYR A 264 CZ ? TYR A 1145 0.4346 0.5376 0.4212 -0.0628 -0.0865 -0.0268 +2005 O ? OH ? TYR A 264 OH ? TYR A 1145 0.4062 0.5071 0.3884 -0.0611 -0.0831 -0.0244 +2006 N ? N ? HIS A 265 N ? HIS A 1146 0.2492 0.4526 0.2884 -0.0622 -0.0617 -0.0349 +2007 C ? CA ? HIS A 265 CA ? HIS A 1146 0.2251 0.462 0.2771 -0.0604 -0.0455 -0.033 +2008 C ? C ? HIS A 265 C ? HIS A 1146 0.2868 0.5312 0.3447 -0.0406 -0.0344 -0.0412 +2009 O ? O ? HIS A 265 O ? HIS A 1146 0.2759 0.5323 0.3383 -0.0346 -0.0231 -0.042 +2010 C ? CB ? HIS A 265 CB ? HIS A 1146 0.2273 0.4965 0.2887 -0.0749 -0.0444 -0.0261 +2011 C ? CG ? HIS A 265 CG ? HIS A 1146 0.2726 0.5397 0.3286 -0.0982 -0.0542 -0.0149 +2012 N ? ND1 ? HIS A 265 ND1 ? HIS A 1146 0.2971 0.5828 0.3572 -0.116 -0.0612 -0.0077 +2013 C ? CD2 ? HIS A 265 CD2 ? HIS A 1146 0.2934 0.5408 0.3392 -0.107 -0.0593 -0.0091 +2014 C ? CE1 ? HIS A 265 CE1 ? HIS A 1146 0.3036 0.5803 0.3558 -0.1367 -0.0702 0.0034 +2015 N ? NE2 ? HIS A 265 NE2 ? HIS A 1146 0.3077 0.5598 0.3505 -0.1312 -0.0695 0.0028 +2016 N ? N ? LEU A 266 N ? LEU A 1147 0.2737 0.5088 0.3297 -0.0308 -0.039 -0.0469 +2017 C ? CA ? LEU A 266 CA ? LEU A 1147 0.2687 0.5085 0.3281 -0.0135 -0.0305 -0.0528 +2018 C ? C ? LEU A 266 C ? LEU A 1147 0.2831 0.5081 0.3365 -0.005 -0.0277 -0.0555 +2019 O ? O ? LEU A 266 O ? LEU A 1147 0.2717 0.505 0.3293 0.0026 -0.0175 -0.0565 +2020 C ? CB ? LEU A 266 CB ? LEU A 1147 0.2869 0.523 0.3444 -0.0063 -0.0373 -0.0574 +2021 C ? CG ? LEU A 266 CG ? LEU A 1147 0.3596 0.6076 0.422 0.0086 -0.0285 -0.0608 +2022 C ? CD1 ? LEU A 266 CD1 ? LEU A 1147 0.3589 0.6318 0.4316 0.0081 -0.0198 -0.0582 +2023 C ? CD2 ? LEU A 266 CD2 ? LEU A 1147 0.4094 0.6516 0.4669 0.017 -0.0366 -0.0658 +2024 N ? N ? MET A 267 N ? MET A 1148 0.229 0.4319 0.2716 -0.0065 -0.0378 -0.0563 +2025 C ? CA ? MET A 267 CA ? MET A 1148 0.2141 0.4068 0.2506 0.0016 -0.0365 -0.0588 +2026 C ? C ? MET A 267 C ? MET A 1148 0.2629 0.4654 0.3044 -0.0046 -0.0268 -0.0547 +2027 O ? O ? MET A 267 O ? MET A 1148 0.2704 0.479 0.3144 0.0022 -0.0186 -0.0564 +2028 C ? CB ? MET A 267 CB ? MET A 1148 0.2564 0.4228 0.2786 0.0011 -0.051 -0.0602 +2029 C ? CG ? MET A 267 CG ? MET A 1148 0.2999 0.4518 0.3134 0.0086 -0.0635 -0.0661 +2030 S ? SD ? MET A 267 SD ? MET A 1148 0.3781 0.4917 0.3707 0.0084 -0.0833 -0.068 +2031 C ? CE ? MET A 267 CE ? MET A 1148 0.3521 0.4492 0.3355 0.0134 -0.0988 -0.075 +2032 N ? N ? LYS A 268 N ? LYS A 1149 0.2138 0.4198 0.2562 -0.0184 -0.0283 -0.049 +2033 C ? CA ? LYS A 268 CA ? LYS A 1149 0.1991 0.4173 0.2452 -0.0241 -0.0199 -0.0455 +2034 C ? C ? LYS A 268 C ? LYS A 1149 0.2553 0.4925 0.3105 -0.0169 -0.0075 -0.0483 +2035 O ? O ? LYS A 268 O ? LYS A 1149 0.2532 0.4923 0.3084 -0.0142 -0.001 -0.0496 +2036 C ? CB ? LYS A 268 CB ? LYS A 1149 0.2182 0.4424 0.2634 -0.0406 -0.0242 -0.0378 +2037 C ? CG ? LYS A 268 CG ? LYS A 1149 0.2506 0.4509 0.2833 -0.0482 -0.0356 -0.0336 +2038 C ? CD ? LYS A 268 CD ? LYS A 1149 0.2539 0.4603 0.2847 -0.068 -0.0411 -0.023 +2039 C ? CE ? LYS A 268 CE ? LYS A 1149 0.2963 0.5193 0.3284 -0.0734 -0.0331 -0.0183 +2040 N 1 NZ ? LYS A 268 NZ ? LYS A 1149 0.3072 0.5348 0.3345 -0.0939 -0.04 -0.006 +2041 N ? N ? ASN A 269 N ? ASN A 1150 0.2085 0.4568 0.2698 -0.013 -0.0056 -0.0496 +2042 C ? CA ? ASN A 269 CA ? ASN A 1150 0.1889 0.4494 0.2557 -0.004 0.0037 -0.0525 +2043 C ? C ? ASN A 269 C ? ASN A 1150 0.2502 0.4983 0.314 0.005 0.0065 -0.0554 +2044 O ? O ? ASN A 269 O ? ASN A 1150 0.2389 0.4877 0.3029 0.0083 0.0128 -0.0567 +2045 C ? CB ? ASN A 269 CB ? ASN A 1150 0.1789 0.4517 0.251 -0.0003 0.0031 -0.053 +2046 C ? CG ? ASN A 269 CG ? ASN A 1150 0.3479 0.6427 0.4252 -0.0092 0.0019 -0.0496 +2047 O ? OD1 ? ASN A 269 OD1 ? ASN A 1150 0.2649 0.5722 0.343 -0.0163 0.0045 -0.0468 +2048 N ? ND2 ? ASN A 269 ND2 ? ASN A 1150 0.2324 0.5367 0.3135 -0.0091 -0.0019 -0.0495 +2049 N ? N ? CYS A 270 N ? CYS A 1151 0.2143 0.4519 0.2743 0.0087 0.0009 -0.0565 +2050 C ? CA ? CYS A 270 CA ? CYS A 1151 0.2105 0.4435 0.2679 0.0158 0.0031 -0.0579 +2051 C ? C ? CYS A 270 C ? CYS A 1151 0.2472 0.4757 0.3015 0.0122 0.0044 -0.0576 +2052 O ? O ? CYS A 270 O ? CYS A 1151 0.2613 0.491 0.3152 0.0147 0.0082 -0.0576 +2053 C ? CB ? CYS A 270 CB ? CYS A 1151 0.2188 0.4482 0.2722 0.0227 -0.0035 -0.06 +2054 S ? SG ? CYS A 270 SG ? CYS A 1151 0.2632 0.4995 0.3199 0.0281 -0.0051 -0.0609 +2055 N ? N ? TRP A 271 N ? TRP A 1152 0.1925 0.4168 0.2439 0.0051 0.0005 -0.0564 +2056 C ? CA ? TRP A 271 CA ? TRP A 1152 0.1865 0.4074 0.2341 0.0015 0.001 -0.0559 +2057 C ? C ? TRP A 271 C ? TRP A 1152 0.2506 0.4789 0.3008 -0.004 0.0074 -0.0551 +2058 O ? O ? TRP A 271 O ? TRP A 1152 0.2658 0.4929 0.3125 -0.0089 0.0066 -0.0539 +2059 C ? CB ? TRP A 271 CB ? TRP A 1152 0.1744 0.3836 0.2144 -0.002 -0.0086 -0.0545 +2060 C ? CG ? TRP A 271 CG ? TRP A 1152 0.1804 0.3795 0.214 0.0066 -0.017 -0.0575 +2061 C ? CD1 ? TRP A 271 CD1 ? TRP A 1152 0.2104 0.4152 0.2441 0.0174 -0.0155 -0.061 +2062 C ? CD2 ? TRP A 271 CD2 ? TRP A 1152 0.1939 0.3755 0.2183 0.0057 -0.0295 -0.0575 +2063 N ? NE1 ? TRP A 271 NE1 ? TRP A 1152 0.2187 0.4137 0.2441 0.026 -0.0256 -0.0647 +2064 C ? CE2 ? TRP A 271 CE2 ? TRP A 1152 0.2509 0.4279 0.2695 0.0193 -0.0353 -0.0632 +2065 C ? CE3 ? TRP A 271 CE3 ? TRP A 1152 0.2185 0.3878 0.2378 -0.006 -0.0374 -0.0528 +2066 C ? CZ2 ? TRP A 271 CZ2 ? TRP A 1152 0.2599 0.4158 0.2659 0.024 -0.0497 -0.0663 +2067 C ? CZ3 ? TRP A 271 CZ3 ? TRP A 1152 0.2579 0.4039 0.2651 -0.0046 -0.0522 -0.054 +2068 C ? CH2 ? TRP A 271 CH2 ? TRP A 1152 0.2745 0.4118 0.2744 0.0114 -0.0587 -0.0617 +2069 N ? N ? GLU A 272 N ? GLU A 1153 0.2093 0.4453 0.2642 -0.0015 0.0131 -0.0563 +2070 C ? CA ? GLU A 272 CA ? GLU A 1153 0.2135 0.4567 0.2687 -0.0031 0.0183 -0.0577 +2071 C ? C ? GLU A 272 C ? GLU A 1153 0.2689 0.5049 0.3204 -0.003 0.0202 -0.0599 +2072 O ? O ? GLU A 272 O ? GLU A 1153 0.2622 0.4917 0.3134 -0.0002 0.0202 -0.0602 +2073 C ? CB ? GLU A 272 CB ? GLU A 1153 0.2271 0.4778 0.2855 0.0034 0.0223 -0.0601 +2074 C ? CG ? GLU A 272 CG ? GLU A 1153 0.2702 0.5384 0.3327 0.001 0.0218 -0.0581 +2075 C ? CD ? GLU A 272 CD ? GLU A 1153 0.4858 0.7696 0.5477 -0.0059 0.0229 -0.0563 +2076 O ? OE1 ? GLU A 272 OE1 ? GLU A 1153 0.3415 0.6389 0.4062 -0.014 0.02 -0.0513 +2077 O -1 OE2 ? GLU A 272 OE2 ? GLU A 1153 0.4748 0.758 0.5328 -0.0045 0.026 -0.0592 +2078 N ? N ? THR A 273 N ? THR A 1154 0.2313 0.4711 0.2798 -0.0071 0.0214 -0.0606 +2079 C ? CA ? THR A 273 CA ? THR A 1154 0.2271 0.4618 0.2718 -0.0083 0.0223 -0.063 +2080 C ? C ? THR A 273 C ? THR A 1154 0.288 0.5148 0.3318 -0.0045 0.0245 -0.0665 +2081 O ? O ? THR A 273 O ? THR A 1154 0.2956 0.5161 0.3385 -0.0064 0.0234 -0.0656 +2082 C ? CB ? THR A 273 CB ? THR A 1154 0.3147 0.557 0.3558 -0.0124 0.0232 -0.0637 +2083 O ? OG1 ? THR A 273 OG1 ? THR A 1154 0.356 0.6019 0.3964 -0.0177 0.0194 -0.0582 +2084 C ? CG2 ? THR A 273 CG2 ? THR A 1154 0.2961 0.534 0.3329 -0.0143 0.023 -0.0664 +2085 N ? N ? GLU A 274 N ? GLU A 1155 0.2495 0.4771 0.2926 0.001 0.0268 -0.0697 +2086 C ? CA ? GLU A 274 CA ? GLU A 1155 0.2507 0.4647 0.2897 0.0059 0.0268 -0.0728 +2087 C ? C ? GLU A 274 C ? GLU A 1155 0.2886 0.4978 0.3309 0.0079 0.026 -0.0686 +2088 O ? O ? GLU A 274 O ? GLU A 1155 0.2797 0.498 0.3268 0.0111 0.0264 -0.0668 +2089 C ? CB ? GLU A 274 CB ? GLU A 1155 0.2736 0.4909 0.3087 0.0149 0.0282 -0.079 +2090 C ? CG ? GLU A 274 CG ? GLU A 1155 0.4783 0.7002 0.5076 0.0148 0.0286 -0.0845 +2091 C ? CD ? GLU A 274 CD ? GLU A 1155 0.9012 1.1056 0.9237 0.0098 0.0257 -0.0872 +2092 O ? OE1 ? GLU A 274 OE1 ? GLU A 1155 0.861 1.0445 0.8787 0.0099 0.0224 -0.0878 +2093 O -1 OE2 ? GLU A 274 OE2 ? GLU A 1155 0.8926 1.1047 0.914 0.0045 0.0259 -0.088 +2094 N ? N ? ALA A 275 N ? ALA A 1156 0.245 0.4421 0.2845 0.0045 0.0243 -0.0662 +2095 C ? CA ? ALA A 275 CA ? ALA A 1156 0.2436 0.4385 0.2849 0.0052 0.0236 -0.0608 +2096 C ? C ? ALA A 275 C ? ALA A 1156 0.2941 0.4824 0.3336 0.014 0.0236 -0.0615 +2097 O ? O ? ALA A 275 O ? ALA A 1156 0.2903 0.4864 0.3341 0.0179 0.0241 -0.0587 +2098 C ? CB ? ALA A 275 CB ? ALA A 1156 0.2551 0.4419 0.2928 -0.0031 0.0215 -0.0567 +2099 N ? N ? SER A 276 N ? SER A 1157 0.2548 0.4293 0.2867 0.0189 0.0224 -0.0664 +2100 C ? CA ? SER A 276 CA ? SER A 1157 0.2546 0.4214 0.282 0.0305 0.0214 -0.0685 +2101 C ? C ? SER A 276 C ? SER A 1157 0.2754 0.4651 0.3102 0.0384 0.0244 -0.0709 +2102 O ? O ? SER A 276 O ? SER A 1157 0.2837 0.4741 0.3176 0.0482 0.0239 -0.0714 +2103 C ? CB ? SER A 276 CB ? SER A 1157 0.2948 0.441 0.3099 0.0363 0.0178 -0.0755 +2104 O ? OG ? SER A 276 OG ? SER A 1157 0.3736 0.5327 0.3893 0.0376 0.0198 -0.0824 +2105 N ? N ? PHE A 277 N ? PHE A 1158 0.1984 0.4068 0.2397 0.0333 0.0267 -0.0717 +2106 C ? CA ? PHE A 277 CA ? PHE A 1158 0.1884 0.4203 0.2367 0.0361 0.0285 -0.0722 +2107 C ? C ? PHE A 277 C ? PHE A 1158 0.2456 0.4857 0.3013 0.0312 0.0274 -0.0667 +2108 O ? O ? PHE A 277 O ? PHE A 1158 0.2277 0.4854 0.2889 0.0314 0.0273 -0.066 +2109 C ? CB ? PHE A 277 CB ? PHE A 1158 0.1977 0.445 0.2466 0.0322 0.0303 -0.0747 +2110 C ? CG ? PHE A 277 CG ? PHE A 1158 0.2021 0.4777 0.2559 0.0354 0.0322 -0.0754 +2111 C ? CD1 ? PHE A 277 CD1 ? PHE A 1158 0.239 0.524 0.2908 0.0492 0.033 -0.0803 +2112 C ? CD2 ? PHE A 277 CD2 ? PHE A 1158 0.2079 0.502 0.2671 0.0246 0.0323 -0.0709 +2113 C ? CE1 ? PHE A 277 CE1 ? PHE A 1158 0.242 0.5611 0.2992 0.0519 0.035 -0.0805 +2114 C ? CE2 ? PHE A 277 CE2 ? PHE A 1158 0.2353 0.5603 0.2991 0.0244 0.0337 -0.0698 +2115 C ? CZ ? PHE A 277 CZ ? PHE A 1158 0.2184 0.559 0.2823 0.0381 0.0356 -0.0746 +2116 N ? N ? ARG A 278 N ? ARG A 1159 0.2098 0.4387 0.265 0.0271 0.0258 -0.0631 +2117 C ? CA ? ARG A 278 CA ? ARG A 1159 0.187 0.4219 0.2466 0.0255 0.0235 -0.0598 +2118 C ? C ? ARG A 278 C ? ARG A 1159 0.2266 0.4633 0.2872 0.0336 0.0232 -0.0588 +2119 O ? O ? ARG A 278 O ? ARG A 1159 0.2217 0.4482 0.2776 0.0391 0.0242 -0.0587 +2120 C ? CB ? ARG A 278 CB ? ARG A 1159 0.1746 0.4029 0.2324 0.0214 0.022 -0.0572 +2121 C ? CG ? ARG A 278 CG ? ARG A 1159 0.2465 0.4749 0.3033 0.0146 0.0211 -0.058 +2122 C ? CD ? ARG A 278 CD ? ARG A 1159 0.1984 0.4251 0.2533 0.0124 0.0199 -0.0561 +2123 N ? NE ? ARG A 278 NE ? ARG A 1159 0.1831 0.4085 0.2358 0.0068 0.0199 -0.0574 +2124 C ? CZ ? ARG A 278 CZ ? ARG A 1159 0.2665 0.4909 0.3172 0.003 0.0206 -0.0565 +2125 N ? NH1 ? ARG A 278 NH1 ? ARG A 1159 0.1361 0.3612 0.1866 0.0026 0.0211 -0.0531 +2126 N 1 NH2 ? ARG A 278 NH2 ? ARG A 1159 0.1874 0.4119 0.2361 -0.0016 0.0203 -0.0582 +2127 N ? N ? PRO A 279 N ? PRO A 1160 0.1888 0.4357 0.2536 0.0345 0.0206 -0.058 +2128 C ? CA ? PRO A 279 CA ? PRO A 1160 0.1876 0.4374 0.2528 0.0428 0.0202 -0.057 +2129 C ? C ? PRO A 279 C ? PRO A 1160 0.2646 0.5043 0.3256 0.0445 0.0201 -0.0531 +2130 O ? O ? PRO A 279 O ? PRO A 1160 0.26 0.4956 0.3194 0.0391 0.02 -0.0516 +2131 C ? CB ? PRO A 279 CB ? PRO A 1160 0.2006 0.4622 0.2704 0.0408 0.0158 -0.0574 +2132 C ? CG ? PRO A 279 CG ? PRO A 1160 0.2565 0.5207 0.3279 0.0309 0.0138 -0.058 +2133 C ? CD ? PRO A 279 CD ? PRO A 1160 0.201 0.4539 0.2686 0.0279 0.0164 -0.0579 +2134 N ? N ? THR A 280 N ? THR A 1161 0.2521 0.4907 0.3109 0.052 0.0201 -0.0506 +2135 C ? CA ? THR A 280 CA ? THR A 1161 0.2546 0.4881 0.309 0.0521 0.02 -0.0447 +2136 C ? C ? THR A 280 C ? THR A 1161 0.2961 0.5438 0.3533 0.0557 0.0175 -0.0448 +2137 O ? O ? THR A 280 O ? THR A 1161 0.2939 0.5501 0.3554 0.0576 0.0151 -0.0492 +2138 C ? CB ? THR A 280 CB ? THR A 1161 0.3461 0.5667 0.3936 0.0577 0.02 -0.0406 +2139 O ? OG1 ? THR A 280 OG1 ? THR A 1161 0.415 0.6435 0.464 0.0678 0.0191 -0.0426 +2140 C ? CG2 ? THR A 280 CG2 ? THR A 1161 0.2727 0.4741 0.3141 0.0557 0.0202 -0.0422 +2141 N ? N ? PHE A 281 N ? PHE A 1162 0.2399 0.4922 0.2941 0.0561 0.0173 -0.0401 +2142 C ? CA ? PHE A 281 CA ? PHE A 1162 0.2201 0.4868 0.2748 0.0623 0.0142 -0.0414 +2143 C ? C ? PHE A 281 C ? PHE A 1162 0.3046 0.5752 0.3592 0.0702 0.0133 -0.0408 +2144 O ? O ? PHE A 281 O ? PHE A 1162 0.2912 0.5709 0.348 0.0747 0.0094 -0.0457 +2145 C ? CB ? PHE A 281 CB ? PHE A 1162 0.2278 0.5052 0.2788 0.0624 0.0149 -0.0361 +2146 C ? CG ? PHE A 281 CG ? PHE A 1162 0.2253 0.507 0.2765 0.0588 0.0139 -0.0392 +2147 C ? CD1 ? PHE A 281 CD1 ? PHE A 1162 0.2465 0.5299 0.2978 0.0631 0.0087 -0.0474 +2148 C ? CD2 ? PHE A 281 CD2 ? PHE A 1162 0.2368 0.5199 0.2869 0.051 0.0169 -0.0337 +2149 C ? CE1 ? PHE A 281 CE1 ? PHE A 1162 0.2575 0.543 0.307 0.0622 0.0066 -0.0505 +2150 C ? CE2 ? PHE A 281 CE2 ? PHE A 1162 0.2654 0.5557 0.3158 0.0493 0.0158 -0.0369 +2151 C ? CZ ? PHE A 281 CZ ? PHE A 1162 0.2454 0.5365 0.2951 0.0562 0.0107 -0.0455 +2152 N ? N A GLU A 282 N A GLU A 1163 0.2834 0.5452 0.3342 0.0721 0.0156 -0.035 +2153 N ? N B GLU A 282 N B GLU A 1163 0.2835 0.5452 0.3343 0.072 0.0156 -0.035 +2154 C ? CA A GLU A 282 CA A GLU A 1163 0.2936 0.5578 0.3428 0.0813 0.0146 -0.0337 +2155 C ? CA B GLU A 282 CA B GLU A 1163 0.2943 0.5579 0.3434 0.0812 0.0147 -0.0336 +2156 C ? C A GLU A 282 C A GLU A 1163 0.3414 0.6131 0.397 0.0848 0.013 -0.0415 +2157 C ? C B GLU A 282 C B GLU A 1163 0.3409 0.6125 0.3965 0.0848 0.013 -0.0415 +2158 O ? O A GLU A 282 O A GLU A 1163 0.343 0.6273 0.4004 0.0915 0.0105 -0.0432 +2159 O ? O B GLU A 282 O B GLU A 1163 0.3414 0.6256 0.3987 0.0913 0.0104 -0.0432 +2160 C ? CB A GLU A 282 CB A GLU A 1163 0.3289 0.5746 0.3699 0.0826 0.0156 -0.0266 +2161 C ? CB B GLU A 282 CB B GLU A 1163 0.3298 0.5741 0.3709 0.0822 0.0157 -0.0271 +2162 C ? CG A GLU A 282 CG A GLU A 1163 0.4741 0.7216 0.5094 0.092 0.0139 -0.0209 +2163 C ? CG B GLU A 282 CG B GLU A 1163 0.4805 0.7241 0.5168 0.0935 0.0138 -0.024 +2164 C ? CD A GLU A 282 CD A GLU A 1163 0.6724 0.9315 0.7041 0.0906 0.0139 -0.0125 +2165 C ? CD B GLU A 282 CD B GLU A 1163 0.8102 1.0277 0.8354 0.0963 0.0123 -0.0189 +2166 O ? OE1 A GLU A 282 OE1 A GLU A 1163 0.4664 0.72 0.4936 0.0813 0.015 -0.0042 +2167 O ? OE1 B GLU A 282 OE1 B GLU A 1163 0.7957 0.9991 0.8125 0.0894 0.0113 -0.0089 +2168 O -1 OE2 A GLU A 282 OE2 A GLU A 1163 0.545 0.8215 0.5781 0.0987 0.0125 -0.0139 +2169 O -1 OE2 B GLU A 282 OE2 B GLU A 1163 0.7184 0.93 0.7422 0.1056 0.011 -0.0248 +2170 N ? N ? ASN A 283 N ? ASN A 1164 0.2948 0.5622 0.3538 0.0794 0.0142 -0.0457 +2171 C ? CA ? ASN A 283 CA ? ASN A 1164 0.2999 0.5801 0.3656 0.0796 0.0129 -0.0513 +2172 C ? C ? ASN A 283 C ? ASN A 1164 0.3354 0.6247 0.4062 0.0719 0.0086 -0.055 +2173 O ? O ? ASN A 283 O ? ASN A 1164 0.3326 0.6356 0.4085 0.0704 0.0057 -0.0578 +2174 C ? CB ? ASN A 283 CB ? ASN A 1164 0.351 0.6266 0.4167 0.079 0.0159 -0.0535 +2175 C ? CG ? ASN A 283 CG ? ASN A 1164 0.6985 0.9607 0.7561 0.0891 0.0171 -0.0516 +2176 O ? OD1 ? ASN A 283 OD1 ? ASN A 1164 0.6182 0.8836 0.6731 0.0995 0.0156 -0.0501 +2177 N ? ND2 ? ASN A 283 ND2 ? ASN A 1164 0.6087 0.8528 0.6605 0.0867 0.0185 -0.0517 +2178 N ? N ? LEU A 284 N ? LEU A 1165 0.2849 0.5663 0.3529 0.0672 0.0071 -0.0548 +2179 C ? CA ? LEU A 284 CA ? LEU A 1165 0.2776 0.5601 0.3463 0.0618 0.0006 -0.0588 +2180 C ? C ? LEU A 284 C ? LEU A 1165 0.3137 0.6039 0.3809 0.0678 -0.0057 -0.0615 +2181 O ? O ? LEU A 284 O ? LEU A 1165 0.3133 0.6037 0.3808 0.063 -0.0133 -0.0654 +2182 C ? CB ? LEU A 284 CB ? LEU A 1165 0.2763 0.5484 0.3407 0.0584 0.0001 -0.0589 +2183 C ? CG ? LEU A 284 CG ? LEU A 1165 0.3234 0.588 0.3892 0.0493 0.0024 -0.0587 +2184 C ? CD1 ? LEU A 284 CD1 ? LEU A 1165 0.3191 0.5768 0.3807 0.0484 0.004 -0.0576 +2185 C ? CD2 ? LEU A 284 CD2 ? LEU A 1165 0.3326 0.5961 0.3996 0.041 -0.0042 -0.0612 +2186 N ? N ? ILE A 285 N ? ILE A 1166 0.2672 0.5625 0.3313 0.0774 -0.0035 -0.0589 +2187 C ? CA ? ILE A 285 CA ? ILE A 1166 0.2711 0.5761 0.3326 0.0853 -0.0089 -0.0615 +2188 C ? C ? ILE A 285 C ? ILE A 1166 0.3206 0.6355 0.3872 0.0839 -0.0138 -0.0649 +2189 O ? O ? ILE A 285 O ? ILE A 1166 0.3228 0.6375 0.3875 0.0817 -0.0227 -0.0703 +2190 C ? CB ? ILE A 285 CB ? ILE A 1166 0.3116 0.6233 0.3685 0.0949 -0.0048 -0.0559 +2191 C ? CG1 ? ILE A 285 CG1 ? ILE A 1166 0.3052 0.6136 0.3577 0.0937 -0.001 -0.0516 +2192 C ? CG2 ? ILE A 285 CG2 ? ILE A 1166 0.3114 0.6363 0.3651 0.1044 -0.0104 -0.0592 +2193 C ? CD1 ? ILE A 285 CD1 ? ILE A 1166 0.3144 0.624 0.3635 0.0956 0.0049 -0.0415 +2194 N ? N ? PRO A 286 N ? PRO A 1167 0.2851 0.6089 0.357 0.0851 -0.0093 -0.0622 +2195 C ? CA ? PRO A 286 CA ? PRO A 1167 0.2873 0.6279 0.3652 0.083 -0.0141 -0.0651 +2196 C ? C ? PRO A 286 C ? PRO A 1167 0.3338 0.6739 0.4155 0.0681 -0.0201 -0.0677 +2197 O ? O ? PRO A 286 O ? PRO A 1167 0.3339 0.6833 0.4176 0.063 -0.0284 -0.0704 +2198 C ? CB ? PRO A 286 CB ? PRO A 1167 0.3078 0.6586 0.3894 0.0891 -0.0074 -0.0621 +2199 C ? CG ? PRO A 286 CG ? PRO A 1167 0.3645 0.6994 0.4394 0.0964 -0.0012 -0.0575 +2200 C ? CD ? PRO A 286 CD ? PRO A 1167 0.307 0.6263 0.3782 0.0894 -0.0013 -0.0572 +2201 N ? N ? ILE A 287 N ? ILE A 1168 0.2883 0.617 0.37 0.0601 -0.017 -0.066 +2202 C ? CA ? ILE A 287 CA ? ILE A 1168 0.2998 0.6253 0.3832 0.0447 -0.0227 -0.0663 +2203 C ? C ? ILE A 287 C ? ILE A 1168 0.3708 0.6791 0.4464 0.0409 -0.0344 -0.0703 +2204 O ? O ? ILE A 287 O ? ILE A 1168 0.3863 0.6958 0.4621 0.03 -0.0443 -0.0713 +2205 C ? CB ? ILE A 287 CB ? ILE A 1168 0.3402 0.6586 0.4243 0.039 -0.016 -0.0634 +2206 C ? CG1 ? ILE A 287 CG1 ? ILE A 1168 0.3457 0.6859 0.4373 0.0387 -0.0092 -0.0612 +2207 C ? CG2 ? ILE A 287 CG2 ? ILE A 1168 0.3515 0.6563 0.4323 0.0248 -0.0233 -0.063 +2208 C ? CD1 ? ILE A 287 CD1 ? ILE A 1168 0.4869 0.8324 0.5784 0.054 -0.0018 -0.0614 +2209 N ? N ? LEU A 288 N ? LEU A 1169 0.3234 0.6169 0.3911 0.0504 -0.0342 -0.0728 +2210 C ? CA ? LEU A 288 CA ? LEU A 1169 0.3338 0.6109 0.3913 0.0522 -0.0461 -0.0788 +2211 C ? C ? LEU A 288 C ? LEU A 1169 0.3824 0.6667 0.4376 0.0575 -0.0545 -0.0836 +2212 O ? O ? LEU A 288 O ? LEU A 1169 0.3902 0.6601 0.4373 0.054 -0.0682 -0.0892 +2213 C ? CB ? LEU A 288 CB ? LEU A 1169 0.3345 0.6019 0.3845 0.0628 -0.0433 -0.0805 +2214 C ? CG ? LEU A 288 CG ? LEU A 1169 0.397 0.6513 0.4458 0.0554 -0.041 -0.0782 +2215 C ? CD1 ? LEU A 288 CD1 ? LEU A 1169 0.3914 0.6499 0.4399 0.0633 -0.0312 -0.0756 +2216 C ? CD2 ? LEU A 288 CD2 ? LEU A 1169 0.446 0.678 0.484 0.0523 -0.0547 -0.0833 +2217 N ? N ? LYS A 289 N ? LYS A 1170 0.3342 0.6389 0.3952 0.0657 -0.0475 -0.0815 +2218 C ? CA ? LYS A 289 CA ? LYS A 1170 0.3395 0.656 0.3997 0.0709 -0.0545 -0.0855 +2219 C ? C ? LYS A 289 C ? LYS A 1170 0.3855 0.708 0.4509 0.0551 -0.0634 -0.0858 +2220 O ? O ? LYS A 289 O ? LYS A 1170 0.4021 0.7186 0.4616 0.0525 -0.0767 -0.0916 +2221 C ? CB ? LYS A 289 CB ? LYS A 1170 0.3697 0.7063 0.4343 0.0832 -0.0446 -0.0816 +2222 C ? CG ? LYS A 289 CG ? LYS A 1170 0.4911 0.8267 0.5478 0.098 -0.0412 -0.0817 +2223 C ? CD ? LYS A 289 CD ? LYS A 1170 0.5074 0.8588 0.5663 0.1083 -0.0328 -0.0757 +2224 C ? CE ? LYS A 289 CE ? LYS A 1170 0.5302 0.8841 0.5809 0.1201 -0.0299 -0.0735 +2225 N 1 NZ ? LYS A 289 NZ ? LYS A 1170 0.5863 0.9493 0.6371 0.1275 -0.0218 -0.0646 +2226 N ? N A THR A 290 N A THR A 1171 0.3258 0.661 0.4013 0.0445 -0.0568 -0.0796 +2227 N ? N B THR A 290 N B THR A 1171 0.3281 0.6636 0.4037 0.0444 -0.0569 -0.0796 +2228 C ? CA A THR A 290 CA A THR A 1171 0.3299 0.6796 0.4124 0.0271 -0.0631 -0.0771 +2229 C ? CA B THR A 290 CA B THR A 1171 0.3343 0.6836 0.4164 0.0269 -0.0642 -0.0775 +2230 C ? C A THR A 290 C A THR A 1171 0.4078 0.7324 0.4824 0.0101 -0.0771 -0.0779 +2231 C ? C B THR A 290 C B THR A 1171 0.4095 0.7344 0.4843 0.0093 -0.0773 -0.0777 +2232 O ? O A THR A 290 O A THR A 1171 0.4212 0.747 0.4946 -0.0027 -0.0903 -0.0789 +2233 O ? O B THR A 290 O B THR A 1171 0.4225 0.7494 0.4967 -0.0048 -0.0901 -0.078 +2234 C ? CB A THR A 290 CB A THR A 1171 0.4021 0.7756 0.4958 0.0239 -0.0511 -0.0706 +2235 C ? CB B THR A 290 CB B THR A 1171 0.4218 0.8026 0.5168 0.0246 -0.0534 -0.0715 +2236 O ? OG1 A THR A 290 OG1 A THR A 1171 0.393 0.783 0.4903 0.0415 -0.0412 -0.0707 +2237 O ? OG1 B THR A 290 OG1 B THR A 1171 0.3961 0.8001 0.4979 0.0092 -0.0612 -0.0695 +2238 C ? CG2 A THR A 290 CG2 A THR A 1171 0.359 0.758 0.4614 0.0057 -0.0562 -0.0665 +2239 C ? CG2 B THR A 290 CG2 B THR A 1171 0.4064 0.7817 0.5032 0.0199 -0.0445 -0.067 +2240 N ? N ? VAL A 291 N ? VAL A 1172 0.3635 0.6642 0.4317 0.0095 -0.0753 -0.0772 +2241 C ? CA ? VAL A 291 CA ? VAL A 1172 0.3773 0.6485 0.4352 -0.0044 -0.0886 -0.0772 +2242 C ? C ? VAL A 291 C ? VAL A 1172 0.4298 0.6754 0.4728 0.0026 -0.1048 -0.0867 +2243 O ? O ? VAL A 291 O ? VAL A 1172 0.4449 0.6716 0.4798 -0.0119 -0.1216 -0.0876 +2244 C ? CB ? VAL A 291 CB ? VAL A 1172 0.4259 0.6817 0.481 -0.0043 -0.0816 -0.0741 +2245 C ? CG1 ? VAL A 291 CG1 ? VAL A 1172 0.4496 0.673 0.4921 -0.0177 -0.0966 -0.0735 +2246 C ? CG2 ? VAL A 291 CG2 ? VAL A 1172 0.4095 0.6909 0.4776 -0.0107 -0.0674 -0.0662 +2247 N ? N ? HIS A 292 N ? HIS A 1173 0.3892 0.636 0.4279 0.0244 -0.1007 -0.0936 +2248 C ? CA ? HIS A 292 CA ? HIS A 1173 0.4276 0.6561 0.4514 0.0361 -0.115 -0.1044 +2249 C ? C ? HIS A 292 C ? HIS A 1173 0.5171 0.7516 0.5407 0.0277 -0.128 -0.1076 +2250 O ? O ? HIS A 292 O ? HIS A 1173 0.5497 0.7575 0.5584 0.0259 -0.1469 -0.1154 +2251 C ? CB ? HIS A 292 CB ? HIS A 1173 0.429 0.6691 0.4505 0.0605 -0.1053 -0.1089 +2252 C ? CG ? HIS A 292 CG ? HIS A 1173 0.4944 0.7295 0.5032 0.075 -0.1176 -0.12 +2253 N ? ND1 ? HIS A 292 ND1 ? HIS A 1173 0.5121 0.7718 0.5256 0.0833 -0.1145 -0.1213 +2254 C ? CD2 ? HIS A 292 CD2 ? HIS A 1173 0.5428 0.7505 0.5331 0.0833 -0.1338 -0.1308 +2255 C ? CE1 ? HIS A 292 CE1 ? HIS A 1173 0.5256 0.7745 0.5242 0.0959 -0.1281 -0.1328 +2256 N ? NE2 ? HIS A 292 NE2 ? HIS A 1173 0.55 0.767 0.5337 0.0972 -0.1405 -0.1395 +2257 N ? N ? GLU A 293 N ? GLU A 1174 0.4649 0.7337 0.5038 0.0234 -0.1188 -0.1021 +2258 C ? CA ? GLU A 293 CA ? GLU A 1174 0.4766 0.7604 0.5187 0.0147 -0.129 -0.1038 +2259 C ? C ? GLU A 293 C ? GLU A 1174 0.5365 0.8089 0.5775 -0.0132 -0.1437 -0.0993 +2260 O ? O ? GLU A 293 O ? GLU A 1174 0.5609 0.8231 0.5943 -0.0219 -0.1614 -0.1042 +2261 C ? CB ? GLU A 293 CB ? GLU A 1174 0.4727 0.7994 0.5314 0.0197 -0.1143 -0.0985 +2262 C ? CG ? GLU A 293 CG ? GLU A 1174 0.6452 0.9826 0.7023 0.0449 -0.105 -0.1025 +2263 C ? CD ? GLU A 293 CD ? GLU A 1174 1.0305 1.3602 1.0754 0.0562 -0.1177 -0.113 +2264 O ? OE1 ? GLU A 293 OE1 ? GLU A 1174 0.9509 1.297 0.9988 0.0517 -0.1257 -0.1153 +2265 O -1 OE2 ? GLU A 293 OE2 ? GLU A 1174 1.0364 1.3464 1.0686 0.0703 -0.1201 -0.1193 +2266 N ? N ? LYS A 294 N ? LYS A 1175 0.4811 0.7556 0.5287 -0.028 -0.1371 -0.0895 +2267 C ? CA ? LYS A 294 CA ? LYS A 1175 0.4972 0.7647 0.5444 -0.0572 -0.149 -0.0815 +2268 C ? C ? LYS A 294 C ? LYS A 1175 0.5958 0.8113 0.621 -0.0649 -0.1722 -0.0869 +2269 O ? O ? LYS A 294 O ? LYS A 1175 0.6169 0.8226 0.6372 -0.0877 -0.1901 -0.0841 +2270 C ? CB ? LYS A 294 CB ? LYS A 1175 0.5079 0.7873 0.5643 -0.0656 -0.135 -0.0708 +2271 C ? CG ? LYS A 294 CG ? LYS A 1175 0.5809 0.8632 0.6391 -0.0971 -0.1441 -0.0593 +2272 C ? CD ? LYS A 294 CD ? LYS A 1175 0.6327 0.9228 0.6965 -0.1012 -0.1305 -0.0506 +2273 C ? CE ? LYS A 294 CE ? LYS A 1175 0.7538 1.0502 0.8187 -0.1329 -0.139 -0.0374 +2274 N 1 NZ ? LYS A 294 NZ ? LYS A 1175 0.852 1.2071 0.9365 -0.1406 -0.1247 -0.0286 +2275 N ? N ? TYR A 295 N ? TYR A 1176 0.571 0.7539 0.5821 -0.0458 -0.1729 -0.0947 +2276 C ? CA ? TYR A 295 CA ? TYR A 1176 0.6138 0.7441 0.601 -0.0465 -0.1948 -0.1018 +2277 C ? C ? TYR A 295 C ? TYR A 1176 0.7248 0.8355 0.6957 -0.0268 -0.2091 -0.1177 +2278 O ? O ? TYR A 295 O ? TYR A 1176 0.7622 0.8267 0.7105 -0.0264 -0.2307 -0.1254 +2279 C ? CB ? TYR A 295 CB ? TYR A 1176 0.6161 0.7232 0.5958 -0.0386 -0.1894 -0.1003 +2280 C ? CG ? TYR A 295 CG ? TYR A 1176 0.6119 0.7327 0.6036 -0.0595 -0.1792 -0.0853 +2281 C ? CD1 ? TYR A 295 CD1 ? TYR A 1176 0.6634 0.7629 0.6479 -0.0877 -0.1946 -0.076 +2282 C ? CD2 ? TYR A 295 CD2 ? TYR A 1176 0.5775 0.7323 0.5862 -0.0516 -0.1553 -0.0801 +2283 C ? CE1 ? TYR A 295 CE1 ? TYR A 1176 0.6514 0.7686 0.6465 -0.1065 -0.1848 -0.0617 +2284 C ? CE2 ? TYR A 295 CE2 ? TYR A 1176 0.575 0.7451 0.5937 -0.0688 -0.1462 -0.0677 +2285 C ? CZ ? TYR A 295 CZ ? TYR A 1176 0.6936 0.8473 0.706 -0.0957 -0.1604 -0.0584 +2286 O ? OH ? TYR A 295 OH ? TYR A 1176 0.7088 0.882 0.7305 -0.1121 -0.151 -0.0458 +2287 N ? N ? ARG A 296 N ? ARG A 1177 0.6826 0.8269 0.6631 -0.0102 -0.1986 -0.1228 +2288 C ? CA ? ARG A 296 CA ? ARG A 1177 0.7128 0.8454 0.6785 0.0099 -0.2109 -0.138 +2289 C ? C ? ARG A 296 C ? ARG A 1177 0.8224 0.9283 0.7744 -0.0069 -0.2379 -0.1434 +2290 O ? O ? ARG A 296 O ? ARG A 1177 0.8222 0.9414 0.785 -0.0345 -0.2416 -0.1334 +2291 C ? CB ? ARG A 296 CB ? ARG A 1177 0.6916 0.8677 0.6702 0.0299 -0.1936 -0.1402 +2292 C ? CG ? ARG A 296 CG ? ARG A 1177 0.8528 1.0625 0.8456 0.0178 -0.1929 -0.1363 +2293 C ? CD ? ARG A 296 CD ? ARG A 1177 1.0522 1.2916 1.0485 0.0412 -0.1839 -0.1422 +2294 N ? NE ? ARG A 296 NE ? ARG A 1177 1.2503 1.5157 1.255 0.0315 -0.1892 -0.1419 +2295 C ? CZ ? ARG A 296 CZ ? ARG A 1177 1.4932 1.7876 1.5018 0.0481 -0.1833 -0.1456 +2296 N ? NH1 ? ARG A 296 NH1 ? ARG A 1177 1.3606 1.6621 1.3655 0.0739 -0.1717 -0.1488 +2297 N 1 NH2 ? ARG A 296 NH2 ? ARG A 1177 1.3467 1.6655 1.363 0.0383 -0.1893 -0.1452 +2298 N ? N ? HIS A 297 N ? HIS A 1178 0.8238 0.8924 0.7511 0.0097 -0.2576 -0.1591 +2299 C ? CA ? HIS A 297 CA ? HIS A 1178 1.3953 1.4278 1.303 -0.0016 -0.2874 -0.168 +2300 C ? C ? HIS A 297 C ? HIS A 1178 1.8112 1.8144 1.7151 -0.0389 -0.3042 -0.1566 +2301 O ? O ? HIS A 297 O ? HIS A 1178 1.3589 1.3056 1.2369 -0.0436 -0.3294 -0.1627 +2302 C ? CB ? HIS A 297 CB ? HIS A 1178 1.3997 1.4642 1.3147 0.0019 -0.2887 -0.1739 +2303 C ? CG ? HIS A 297 CG ? HIS A 1178 1.4336 1.5124 1.342 0.0387 -0.2819 -0.188 +2304 N ? ND1 ? HIS A 297 ND1 ? HIS A 1178 1.4981 1.5427 1.3793 0.058 -0.3038 -0.2068 +2305 C ? CD2 ? HIS A 297 CD2 ? HIS A 1178 1.4141 1.5376 1.3384 0.0583 -0.2567 -0.1851 +2306 C ? CE1 ? HIS A 297 CE1 ? HIS A 1178 1.4689 1.5441 1.3518 0.0886 -0.2899 -0.2142 +2307 N ? NE2 ? HIS A 297 NE2 ? HIS A 1178 1.4228 1.5444 1.3311 0.0885 -0.2618 -0.2007 +2332 C ? C4 ? 0X2 G 1 C4 ? 0X2 A 1206 0.4859 1.2512 0.4276 0.3307 -0.0459 -0.1382 +2333 C ? C5 ? 0X2 G 1 C5 ? 0X2 A 1206 0.4972 1.2905 0.4311 0.3523 -0.0516 -0.1476 +2334 C ? C6 ? 0X2 G 1 C6 ? 0X2 A 1206 0.4841 1.2567 0.4242 0.3384 -0.0508 -0.1438 +2335 C ? C11 ? 0X2 G 1 C11 ? 0X2 A 1206 0.4333 1.2938 0.3432 0.3932 -0.0514 -0.1553 +2336 C ? C7 ? 0X2 G 1 C7 ? 0X2 A 1206 0.4996 1.2851 0.4326 0.348 -0.0482 -0.1438 +2337 C ? C8 ? 0X2 G 1 C8 ? 0X2 A 1206 0.4517 1.3069 0.3891 0.3474 -0.036 -0.1304 +2338 C ? C9 ? 0X2 G 1 C9 ? 0X2 A 1206 0.4202 1.3095 0.3709 0.3244 -0.0223 -0.1095 +2339 C ? C10 ? 0X2 G 1 C10 ? 0X2 A 1206 0.3946 1.3049 0.3382 0.3368 -0.0228 -0.1111 +2340 C ? C12 ? 0X2 G 1 C12 ? 0X2 A 1206 0.459 1.2977 0.3752 0.3818 -0.0512 -0.1531 +2341 N ? N1 ? 0X2 G 1 N1 ? 0X2 A 1206 0.4619 1.2944 0.4063 0.3338 -0.0354 -0.1277 +2342 N ? N2 ? 0X2 G 1 N2 ? 0X2 A 1206 0.4002 1.2983 0.3244 0.3708 -0.0367 -0.134 +2343 C ? C3 ? 0X2 G 1 C3 ? 0X2 A 1206 0.4779 1.1919 0.4325 0.2973 -0.0404 -0.1265 +2344 O ? O2 ? 0X2 G 1 O2 ? 0X2 A 1206 0.4357 1.2781 0.3253 0.4239 -0.0665 -0.1768 +2345 O ? O1 ? 0X2 G 1 O1 ? 0X2 A 1206 0.5452 1.3004 0.4588 0.3752 -0.0635 -0.1636 +2346 CL ? CL2 ? 0X2 G 1 CL2 ? 0X2 A 1206 0.4858 1.1652 0.4493 0.273 -0.0341 -0.1157 +2347 C ? C2 ? 0X2 G 1 C2 ? 0X2 A 1206 0.4533 1.147 0.414 0.2836 -0.0395 -0.1232 +2348 CL ? CL1 ? 0X2 G 1 CL1 ? 0X2 A 1206 0.5352 1.3966 0.45 0.4004 -0.0599 -0.1652 +2349 C ? C1 ? 0X2 G 1 C1 ? 0X2 A 1206 0.4537 1.176 0.4072 0.3036 -0.0447 -0.1315