From 542ab9991ef3bf5a3e89ebc8610b94878779e343 Mon Sep 17 00:00:00 2001 From: Dawid Jagiela Date: Tue, 28 Feb 2012 14:35:40 +0100 Subject: [PATCH] added Genetic Algorythm code in branch feature-ga --- .gitignore | 2 + doc/unresga.1 | 70 + source/ga/GA.f | 1663 ++++ source/ga/GA.inc | 55 + source/ga/Makefile | 33 + source/ga/TEST.inc | 19 + source/ga/TODO | 11 + source/ga/cluster.inc | 389 + source/ga/common.inc | 29 + source/ga/input-templates/1L2Y.pdb |11812 +++++++++++++++++++++++ source/ga/input-templates/1LE1.pdb | 4612 +++++++++ source/ga/input-templates/galera/1L2Y_mremd.tpl | 13 + source/ga/input-templates/galera/1L2Y_wham.tpl | 53 + source/ga/input-templates/galera/1LE1_mremd.tpl | 14 + source/ga/input-templates/galera/1LE1_wham.tpl | 46 + source/ga/input-templates/galera/opt.csh | 73 + source/ga/input-templates/galera/start_all.pbs | 25 + source/ga/input-templates/galera/unres.csh | 26 + source/ga/input-templates/galera/unresga.inp | 7 + source/ga/input-templates/galera/wham.csh | 67 + source/ga/input-templates/galera/zscore.tpl | 82 + source/ga/input-templates/matrix/1LE1_mremd.tpl | 14 + source/ga/input-templates/matrix/1LE1_wham.tpl | 46 + source/ga/input-templates/matrix/opt.csh | 69 + source/ga/input-templates/matrix/start_all.pbs | 25 + source/ga/input-templates/matrix/unres.csh | 26 + source/ga/input-templates/matrix/unresga.inp | 7 + source/ga/input-templates/matrix/wham.csh | 66 + source/ga/input-templates/matrix/zscore.tpl | 82 + source/ga/input-templates/piasek/1L2Y_mremd.tpl | 13 + source/ga/input-templates/piasek/1L2Y_wham.tpl | 53 + source/ga/input-templates/piasek/1LE1_mremd.tpl | 13 + source/ga/input-templates/piasek/1LE1_wham.tpl | 53 + source/ga/input-templates/piasek/startmremd.mat | 11 + source/ga/input-templates/piasek/startwham.mat | 10 + source/ga/input-templates/piasek/unresga.inp | 8 + source/ga/input-templates/piasek/zscore.tpl | 135 + source/ga/io.inc | 33 + source/ga/tester.sh | 14 + 39 files changed, 19779 insertions(+) create mode 100644 .gitignore create mode 100644 doc/unresga.1 create mode 100644 source/ga/GA.f create mode 100644 source/ga/GA.inc create mode 100644 source/ga/Makefile create mode 100644 source/ga/TEST.inc create mode 100644 source/ga/TODO create mode 100644 source/ga/cluster.inc create mode 100644 source/ga/common.inc create mode 100644 source/ga/input-templates/1L2Y.pdb create mode 100644 source/ga/input-templates/1LE1.pdb create mode 100644 source/ga/input-templates/galera/1L2Y_mremd.tpl create mode 100644 source/ga/input-templates/galera/1L2Y_wham.tpl create mode 100644 source/ga/input-templates/galera/1LE1_mremd.tpl create mode 100644 source/ga/input-templates/galera/1LE1_wham.tpl create mode 100755 source/ga/input-templates/galera/opt.csh create mode 100755 source/ga/input-templates/galera/start_all.pbs create mode 100755 source/ga/input-templates/galera/unres.csh create mode 100644 source/ga/input-templates/galera/unresga.inp create mode 100755 source/ga/input-templates/galera/wham.csh create mode 100644 source/ga/input-templates/galera/zscore.tpl create mode 100644 source/ga/input-templates/matrix/1LE1_mremd.tpl create mode 100644 source/ga/input-templates/matrix/1LE1_wham.tpl create mode 100755 source/ga/input-templates/matrix/opt.csh create mode 100755 source/ga/input-templates/matrix/start_all.pbs create mode 100755 source/ga/input-templates/matrix/unres.csh create mode 100644 source/ga/input-templates/matrix/unresga.inp create mode 100755 source/ga/input-templates/matrix/wham.csh create mode 100644 source/ga/input-templates/matrix/zscore.tpl create mode 100644 source/ga/input-templates/piasek/1L2Y_mremd.tpl create mode 100644 source/ga/input-templates/piasek/1L2Y_wham.tpl create mode 100644 source/ga/input-templates/piasek/1LE1_mremd.tpl create mode 100644 source/ga/input-templates/piasek/1LE1_wham.tpl create mode 100755 source/ga/input-templates/piasek/startmremd.mat create mode 100755 source/ga/input-templates/piasek/startwham.mat create mode 100644 source/ga/input-templates/piasek/unresga.inp create mode 100644 source/ga/input-templates/piasek/zscore.tpl create mode 100644 source/ga/io.inc create mode 100755 source/ga/tester.sh diff --git a/.gitignore b/.gitignore new file mode 100644 index 0000000..b2a5628 --- /dev/null +++ b/.gitignore @@ -0,0 +1,2 @@ +*.swp +source/ga/build diff --git a/doc/unresga.1 b/doc/unresga.1 new file mode 100644 index 0000000..295dca6 --- /dev/null +++ b/doc/unresga.1 @@ -0,0 +1,70 @@ +.TH unresga 1 "September 26, 2011" "version 0.1" "USER COMMANDS" +.SH NAME +unresga \- finds optimal parameters for UNRES force-field by using genetic algorithm (GA) +.SH SYNOPSIS +.B unresga +.SH DESCRIPTION +This utility optimizes UNRES force-fields parameters (weights) by using genetic algorithm. +Curentely there are 19 parameters that can be optimized, altough not all of them are used (WLONG for instance). +These paremeters are defined in thó MD inputs as WLONG, WSCP, WELEC, WBOND, WANG, WSCLOC, WTOR, WTORD, WCORRH, WCORR4, WCORR5, WCORR6, WEL_LOC, WTURN3, WTURN4, WTURN6, WVDWPP, WHPB, WSCCOR. +The min and max boundries for these parameters are defined in the +.I src/GA.inc +file. + + +.SH FILES +.IP unresga.inp +This is the main configuration file +.IP unresga.log +This is the automaticly generated log file. Use it for troubleshooting. +.IP unresga.state +state file used by the main program to manage input generation between MREMD, WHAM, ZSCORE steps. You shouldn't modify it unless something went terrible wrong and you realy know what you are doing... + +.SH unresga.inp structure +The +.I unresga.inp +file consists of +.B key=value1 value2 ... valueX +entries. Key entries must be uppercase or lowercase, but not mixed-type. An example input file should look like this: + +.nf +pdb=1LE1.pdb 1L2Y.pdb +.br +alg=csa +.br +generations=50 +.br +cicutoff=5.0 +.br +population=4 +.br +whamtemplate=1LE1_wham.tpl 1L2Y_wham.tpl +.br +mremdtemplate=1LE1_mremd.tpl 1L2Y_mremd.tpl +.br +scripts=startwham.mat startmremd.mat +.fi + +.IP PDB= +Posible values are the reference PDB files used for calculations. At least one file should be specified. Maximum number of PDB files is set by variable maxnpdb in +.I src/common.inc +(default 10) +.IP ALG= +Value defines witch algoritm should be used in genetic part. Values are: simple, better, betterv2, csa, cluster. +.IP GENERATIONS= +Value sets maximum number of iterations for the genetic algorithm part. +.IP POPULATION= +Sets the size of bank population. Actual size of population is this value multiplied by value of the BANK_MULTIPLIER constant set in +.I src/GA.inc +(default 4) +.IP WHAMTEMPLATE= +Set the input template for generationg WHAM inputs. Number of templates should be equal to the number of PDB files. +.IP MREMDTEMPLATE= +Same as above but for MREMD inputs. + +.IP SCRIPTS= +Copy aditional files (shell scripts) for current input. This is obsolete and curentely disabled. + + +.SH AUTHOR +Dawid Jagiela (lightnir (at) chem.univ.gda.pl) diff --git a/source/ga/GA.f b/source/ga/GA.f new file mode 100644 index 0000000..8e2225d --- /dev/null +++ b/source/ga/GA.f @@ -0,0 +1,1663 @@ + program unresag + + implicit none + include 'GA.inc' + include 'common.inc' + include 'io.inc' + real*16 :: WEIGHTS(18) + integer*4 :: i,j,m,n,iloc,pos,iter,maxiter,numarg,tmplen + integer*4 :: WybierzOsobnika,Najlepszy,ZnajdzPodobnego,FindWorst + integer*4 :: status + integer*4 :: mnoznik = 10 + character*16 :: mode,argn,argi,dir_nam + character*15 :: filename + real*8 :: loc,fc,sumfitness,sump,avrp,maxfc + real :: rand, r + real*8 :: maxfcever + real*8 :: FunkcjaCeluB, FunkcjaCeluB2, FunkcjaCeluR +c character*500 :: Weights2Str + character(80),dimension(5) :: wagi + logical :: searching = .false. + logical :: logdata = .true. + logical :: fileex = .false. + logical :: retry = .false. + logical :: dir_ex = .false. + logical :: debug = .true. + character*200 :: text, tmptext,tmptext2 + character(len=*), parameter :: FMT = "(19F10.5,E15.7,F10.5)" +c character(len=*), parameter :: FMT = "(F10.5,F10.5,F10.5,F10.5,F10& +c &.5,F10.5,F10.5,F10.5,F10.5,F10.5,F10.5,F10.5,F10.5,F10.5,F10.5,F10& +c &.5,F10.5,F10.5,F10.5,F10.5,F10.5)" + +c ======================================================================= +c Main program +c ======================================================================= + + + call ReadInput(status) + if ((maxminstep.gt.0).and.(generation.eq.1)) then +c Do first score + do_fs=.true. + endif +c Is everything OK? + if (status.gt.0) then + write(*,*) "There ware input file errors - check log." + goto 2010 + endif + + call itime(timeArray) + r = rand(timeArray(1)*10000+timeArray(2)*100+timeArray(3)) +c Fair enough? +c r = 527865426 + + +c------------------------------------------------------- +c bank & populacja arrays store this +c 1-19 - weights +c 20 - energy obtained from zscore +c 21 - fittness +c------------------------------------------------------- + allocate (bank(banksize,21)) + allocate (populacja(BANK_MULTIPLIER*banksize,21)) + allocate (pairs(BANK_MULTIPLIER*banksize)) +c +c Zero the arrays +c + do i=1,BANK_MULTIPLIER*banksize + do j=1,21 + populacja(i,j)=0 + enddo + pairs(i)=0 + enddo + do i=1,banksize + do j=1,21 + bank(i,j)=0 + enddo + enddo + +c First time here? + inquire(FILE=ostatefn,EXIST=fileex) +c No. Prepere next generation + if (fileex) then + open(ostate,file=ostatefn) + read(ostate,'(I4)') generation + read(ostate,'(L2)') do_optima + read(ostate,'(L2)') do_ga + close(ostate) + if (do_ga) then + call write2log("Doing GA in this step") + endif + if (.not.do_optima) then + maxminstep=0 + call write2log("ZSCORE weights minimalization disabled for now") + generation=generation+1 + endif + + call ReadOptimaW(BANK_MULTIPLIER*banksize,populacja) + +c Yes. Generate random zero-population + else + call GenPopulation(BANK_MULTIPLIER*banksize,populacja) + if (do_optima) then + do_ga=.false. + endif + +c End of "fisrst time here?" code + endif + +c +c Do we actual use a Genetic Algorithm? +c + + if (do_ga.eq..true.) then + +c Yes. This is only done when doing second pass with ZSCORE (without weight minimalizaton) +c or with weight minimalization disabled (maxmin=0) just to obtain final score) + +c \\---//================================================================ +c \\-// +c "// Genetic Algorithm code starts here +c //-\\ +c =//---\\=============================================================== + + call ReadZEnergy(BANK_MULTIPLIER*banksize,populacja) + do i=1,BANK_MULTIPLIER*banksize +c populacja(i,20)=FunkcjaCeluR(populacja(i,20)) + write(*,*) "Ind ",i,populacja(i,20) + enddo + + call write2log("==[ Doing GA now ]=============================") + +c +c Populate bank depending on algorithm +c + select case(alg) + case('simple') + call GetNBest(populacja,bank,banksize) + case('better') + call GetNBest(populacja,bank,banksize) + case('betterv2') + call GetNBest(populacja,bank,banksize) + case('csa') +c --- debug begin --- + if (debug) then + write(*,*) "generation: ",generation + write(*,*) "maxminstep: ",maxminstep + write(*,*) "do_ga: ",do_ga + write(*,*) "do_optima: ",do_optima + write(*,*) "do_fs: ",do_fs + write(*,*) "cicutoff: ", cicutoff + endif +c --- debug end --- + + csacutoff=cicutoff + +c +c Fill the bank just after the first time we get the score +c + if (((generation.eq.2).and.(maxminstep.eq.0)).or.((generation.eq& + &.2).and.(maxminstep.gt.0))) then + +c --- debug begin --- + if (debug) then + write(*,*) "Calling GetNBest..." + endif +c --- debug end --- + call GetNBest(populacja,bank,banksize) +c --- debug begin --- + if (debug) then + do i=1,banksize + write(*,FMT) bank(i,:) + enddo + endif +c --- debug end --- + + call CalcFitness(bank,sumfitness) + call WriteBank(bank) + +c +c Do normal CSA +c + else + +c --- debug begin --- + if (debug) then + write(*,*) "Szukam podobnego" + endif +c --- debug end --- + + call ReadBank(bank) + + do i=1,BANK_MULTIPLIER*banksize + write(tmptext,'(I4)') i + call write2log("Checking ind "//tmptext) + j=ZnajdzPodobnego(banksize,bank,populacja(i,:),csacutoff) + if (j.gt.0) then + if (populacja(i,20).lt.bank(j,20)) then + write(tmptext,'(I4)') j + write(tmptext2,'(I4)') i + call write2log("Swaping ind"//trim(tmptext)//" from bank to & + &ind "//trim(tmptext2)//" from population") + bank(j,:)=populacja(i,:) + endif + else + j=FindWorst(banksize,bank) + write(tmptext,'(I4)') j + write(tmptext2,'(I4)') i + if (populacja(i,20).lt.bank(j,20)) then + call write2log("Worst in bank is "//trim(tmptext)) + call write2log("Swaping worst ind in bank to "//trim(tmptext& + &2)) + bank(j,:)=populacja(i,:) + endif + endif + enddo + +c ----------------------------------------------------------------------- +c Calculate fitness for reproduction +c ----------------------------------------------------------------------- + call CalcFitness(bank,sumfitness) + +c --- debug begin --- + if (debug) then + write (*,*) "Dumping bank: " + do i=1,banksize + write(*,FMT) bank(i,:) + enddo + write (*,*) "Sumfitness: ", sumfitness + endif +c --- debug end --- + + call WriteBank(bank) + csacutoff=csacutoff-(cicutoff/maxgen) +c csacutoff=cicutoff*(0.8**(iter-1)) + + write(tmptext,'(F7.5)') csacutoff + + call write2log("CSA cutoff is now set to "//tmptext) + endif + case('cluster') + write(*,*) "Some stuff here in the future" + goto 2010 + end select + +c call WritePopSum() + + +c Have we done last generation ? + if (generation.eq.maxgen) then + call write2log("Maximum number of genarations reached. QUITING.") + goto 2010 + endif +c Prapering for next generation so increase counter + iter=iter+1 + +c ----------------------------------------------------------------------- +c Reproduction +c ----------------------------------------------------------------------- + call write2log("==[ Reproducting ]============================") + select case(alg) + case('simple','csa') + do i=1,BANK_MULTIPLIER*banksize + m=WybierzOsobnika(banksize,bank) + write(tmptext,'(I4)') m + write(tmptext2,'(I4)') i + call write2log("Reproducting individual "//trim(tmptext)//" from& + & bank as new individual "//trim(tmptext2)) + populacja(i,:)=bank(m,:) + end do + case('better','betterv2') + populacja(1,:)=bank(1,:) + call write2log("Reproducting first (best) individual") + do i=2,BANK_MULTIPLIER*banksize + m=WybierzOsobnika(banksize,bank) + write(tmptext,'(I4)') m + write(tmptext2,'(I4)') i + call write2log("Reproducting individual "//trim(tmptext)//" from& + & bank as new individual "//trim(tmptext2)) + populacja(i,:)=bank(m,:) + end do + end select + +c ----------------------------------------------------------------------- +c Pairing +c ----------------------------------------------------------------------- + do i=1,BANK_MULTIPLIER*banksize + pairs(i)=0 + end do + + do i=1,BANK_MULTIPLIER*banksize + if (pairs(i).eq.0) then +210 pos=1+int(rand(0)/(1/real(BANK_MULTIPLIER*banksize))) + if (pos.le.i) then + goto 210 + endif + do j=1,(i-1) + if (pairs(j).eq.pos) then + goto 210 + endif + end do + pairs(i) = pos + pairs(pos) = i + endif + end do + call write2log("==[ Pairing ]==============================") + do i=1,BANK_MULTIPLIER*banksize + write(tmptext,'(A11,I3.3,A5,I3.3,A21)') "Individual ",i," and ",p& + &airs(i)," will be crossed over" + call write2log(trim(tmptext)) + end do + +c ----------------------------------------------------------------------- +c Crossover +c ----------------------------------------------------------------------- + call write2log("==[ Crossing ]==============================") + do i=1,BANK_MULTIPLIER*banksize + if (pairs(i) .gt. i) then + call CrossoverS(populacja(i,:),populacja(pairs(i),:)) + endif + end do + + + call write2log(" WLONG WSCP WELEC WBOND WANG & + &WSCLOC WTOR WTORD WCORRH WCORR4 WCORR5 WCORR6 WEL_LOC WT& + &URN3 WTURN4 WTURN6 WVDWPP WHPB WSCCOR") + do i=1,BANK_MULTIPLIER*banksize + tmplen = 9 + text = "" + write(text,'(A4,I3.3,A2)') "Ind",i,": " + do j=1,19 + write(tmptext,'(F7.5)') populacja(i,j) + text = text(1:tmplen) // tmptext + tmplen = tmplen + 8 + end do + call write2log(trim(text)) + end do + +c ----------------------------------------------------------------------- +c Mutation +c ----------------------------------------------------------------------- + + call write2log("==[ Mutating ]==============================") + do i = 1,19 + if (IGNORE_WEIGHT(i).eq.1) then + write(tmptext,'(I2)') i + call write2log("Parameter "//trim(WNAME(i))//" will be ignored") + endif + end do + do i=1,BANK_MULTIPLIER*banksize + call MutationV(populacja(i,:),i,MUTRATIO) + end do +c for betterv2 and csa restore best individual + select case(alg) + case('betterv2','csa') + populacja(1,:)=bank(1,:) + end select + +c +c Genetic Algorithm blokcode stops here +c + endif + +c --------------------------------- +c Do some final stuff +c --------------------------------- +c +c Set the variables before writing to state file +c + if ((.not.do_ga).and.(.not.do_optima)) then + if (do_fs) then + do_ga=.false. + do_optima=.true. + else + do_ga=.true. + do_optima=.false. + endif + else + if (do_fs) then + do_optima=.not.do_optima + if (generation.eq.1) then + do_ga=.false. + else + do_ga=.not.do_ga + endif + else + do_ga=.true. + do_optima=.false. + endif + endif + + +c +c Write te current state and population +c + call WriteState() +c call WritePopSum() +c +c Create the inputs +c + write(tmptext,'(I)') generation + call write2log("Preparing inputs for generation "//trim(adjustl(tm& + &ptext))) + call CreateInputs(BANK_MULTIPLIER*banksize,populacja) +c +c All done? Then let's quit. +c + goto 2010 + + + +c ====================================================================== +c +c MAIN CODE ENDS HERE +c +c ====================================================================== + + + +2000 deallocate(populacja) + deallocate(pairs) +2010 end program + + +c ====================================================================== +c Clustering subroutines +c ====================================================================== + + include 'cluster.inc' + + +c ====================================================================== +c Write2log subroutine +c ====================================================================== +c Creates logs +c ---------------------------------------------------------------------- + + subroutine Write2log(text) + include 'common.inc' + include 'io.inc' + character*200 :: tmptext + character(len=*) :: text + logical :: ex + call itime(timeArray) + inquire(file=ologfn,exist=ex) + if (.not.ex) then + open(olog, file=ologfn, access="append") + write(olog,"(A)") "==============================================& + &==========" + tmptext = "= UNRES weights optimizer version "//version + write(olog,"(A)") tmptext + write(olog,"(A)") info + write(olog,"(A)") "==============================================& + &==========" + close(olog) + endif + open(olog, file = ologfn , access = "append") + write(olog,"(I2.2,A1,I2.2,A1,I2.2,A2,A)") timeArray(1),":",timeAr& + &ray(2),":",timeArray(3),": ",text + close(olog) + end subroutine Write2log + +c ====================================================================== +c GetNBest subroutine +c ====================================================================== +c Fills up the bank population up to banksize with individuals from +c inputpop heving the best(lowest) score +c ---------------------------------------------------------------------- + + subroutine GetNBest(inputpop,bank,banksize) + integer*4 :: banksize, i,j,idx + real*8 :: inputpop, bank, best, last + include 'GA.inc' + dimension inputpop(banksize*BANK_MULTIPLIER,21) + dimension bank(banksize,21) + + last=0.0 + idx=1 + do j=1,banksize + best=100000000000000000.0 + do i=1,banksize*BANK_MULTIPLIER + if ((inputpop(i,20).lt.best).and.(inputpop(i,20).gt.last)) then + best=inputpop(i,20) + idx=i + endif + end do + bank(j,:)=inputpop(idx,:) + last=best + end do + end subroutine GetNBest + +c ====================================================================== +c FindWorst subroutine +c ====================================================================== +c Finds the worst (highest score) individual in population +c ---------------------------------------------------------------------- + + integer*4 function FindWorst(rozmiar,pop) + integer*4 :: rozmiar, i, idx + real*16 :: pop,last + dimension pop(rozmiar,21) + + last=0.0 + idx = 0 + do i=1,rozmiar + if (pop(i,20).gt.last) then + idx = i + last=pop(i,20) + endif + end do + FindWorst=idx + return + end function + +c ====================================================================== +c GenPopulation subroutine +c ====================================================================== +c Generates a population (pop) of nind individuals with 19 random +c wights from a set of ranges (see GA.inc). +c ---------------------------------------------------------------------- + + subroutine GenPopulation(nind,pop) + integer*4 :: i,j,nind + real*8 :: pop + dimension pop(nind,21) + include 'GA.inc' + do j=1,nind + do i=1,19 + select case(i) + case (1) + pop(j,1)=WLONG_LOW+(rand(0)*(WLONG_HI-WLONG_LOW)) + case (2) + pop(j,2)=WSCP_LOW+(rand(0)*(WSCP_HI-WSCP_LOW)) + case (3) + pop(j,3)=WELEC_LOW+(rand(0)*(WELEC_HI-WELEC_LOW)) + case (4) + pop(j,4)=WBOND_LOW+(rand(0)*(WBOND_HI-WBOND_LOW)) + case (5) + pop(j,5)=WANG_LOW+(rand(0)*(WANG_HI-WANG_LOW)) + case (6) + pop(j,6)=WSCLOC_LOW+(rand(0)*(WSCLOC_HI-WSCLOC_LOW)) + case (7) + pop(j,7)=WTOR_LOW+(rand(0)*(WTOR_HI-WTOR_LOW)) + case (8) + pop(j,8)=WTORD_LOW+(rand(0)*(WTORD_HI-WTORD_LOW)) + case (9) + pop(j,9)=WCORRH_LOW+(rand(0)*(WCORRH_HI-WCORRH_LOW)) + case (10) + pop(j,10)=WCORR4_LOW+(rand(0)*(WCORR4_HI-WCORR4_LOW)) + case (11) + pop(j,11)=WCORR5_LOW+(rand(0)*(WCORR5_HI-WCORR5_LOW)) + case (12) + pop(j,12)=WCORR6_LOW+(rand(0)*(WCORR6_HI-WCORR6_LOW)) + case (13) + pop(j,13)=WEL_LOC_LOW+(rand(0)*(WEL_LOC_HI-WEL_LOC_LOW)) + case (14) + pop(j,14)=WTURN3_LOW+(rand(0)*(WTURN3_HI-WTURN3_LOW)) + case (15) + pop(j,15)=WTURN4_LOW+(rand(0)*(WTURN4_HI-WTURN4_LOW)) + case (16) + pop(j,16)=WTURN6_LOW+(rand(0)*(WTURN6_HI-WTURN6_LOW)) + case (17) + pop(j,17)=WVDWPP_LOW+(rand(0)*(WVDWPP_HI-WVDWPP_LOW)) + case (18) + pop(j,18)=WHPB_LOW+(rand(0)*(WHPB_HI-WHPB_LOW)) + case (19) + pop(j,19)=WSCCOR_LOW+(rand(0)*(WSCCOR_HI-WSCCOR_LOW)) + end select + end do + end do + end subroutine GenPopulation + +c ====================================================================== +c CrossoverS subroutine +c ====================================================================== +c Does a simple value crossing-over on a pair +c of two given individuals, giving two new individuals. +c ---------------------------------------------------------------------- + + subroutine CrossoverS(ind1,ind2) + real*8 :: ind1(19),ind2(19),temp(19) + integer*4 :: loc + loc = 1 + int(rand(0)/(1/18.0)) +c write (*,*) "Krzyzowanie pomiedzy pozycja ",(loc-1),"a",loc + temp = ind2 + do i=(loc),19 + ind2(i)=ind1(i) + ind1(i)=temp(i) + end do + end subroutine CrossoverS + +c ====================================================================== +c MutationV subroutine +c ====================================================================== +c Does a value mutation for the given individual (ind) with the +c given mutation ratio (mratio). +c ---------------------------------------------------------------------- + + subroutine MutationV(ind,id,mratio) + include 'GA.inc' +c real*8 :: rand + real :: mratio + real*8 :: ind(19),ti + integer*4 :: i,id + character*100 :: tmptext + character*150 :: logtext + + do i = 1,19 + if (IGNORE_WEIGHT(i).eq.1) then +c write(tmptext,'(I2)') i +c call write2log("Skipping weight "//trim(tmptext)) + goto 2300 + endif + if (rand(0)= LIVE(L1), then L1 is not in the live set. If this is +C true, we only need to consider clusters that are in the live set +C for possible transfer of point I. Otherwise, we need to consider +C all possible clusters. +C + IF (I .GE. LIVE(L1) .AND. I .GE. LIVE(L) .OR. L .EQ. L1 .OR. + * L .EQ. LL) GO TO 60 + RR = R2 / AN2(L) + DC = ZERO + DO 50 J = 1, N + DD = A(I,J) - C(L,J) + DC = DC + DD*DD + IF (DC .GE. RR) GO TO 60 + 50 CONTINUE + R2 = DC * AN2(L) + L2 = L + 60 CONTINUE + IF (R2 .LT. D(I)) GO TO 70 +C +C If no transfer is necessary, L2 is the new IC2(I). +C + IC2(I) = L2 + GO TO 90 +C +C Update cluster centres, LIVE, NCP, AN1 & AN2 for clusters L1 and +C L2, and update IC1(I) & IC2(I). +C + 70 INDX = 0 + LIVE(L1) = M + I + LIVE(L2) = M + I + NCP(L1) = I + NCP(L2) = I + AL1 = NC(L1) + ALW = AL1 - ONE + AL2 = NC(L2) + ALT = AL2 + ONE + DO 80 J = 1, N + C(L1,J) = (C(L1,J) * AL1 - A(I,J)) / ALW + C(L2,J) = (C(L2,J) * AL2 + A(I,J)) / ALT + 80 CONTINUE + NC(L1) = NC(L1) - 1 + NC(L2) = NC(L2) + 1 + AN2(L1) = ALW / AL1 + AN1(L1) = BIG + IF (ALW .GT. ONE) AN1(L1) = ALW / (ALW - ONE) + AN1(L2) = ALT / AL2 + AN2(L2) = ALT / (ALT + ONE) + IC1(I) = L2 + IC2(I) = L1 + 90 CONTINUE + IF (INDX .EQ. M) RETURN + 100 CONTINUE + DO 110 L = 1, K +C +C ITRAN(L) = 0 before entering QTRAN. Also, LIVE(L) has to be +C decreased by M before re-entering OPTRA. +C + ITRAN(L) = 0 + LIVE(L) = LIVE(L) - M + 110 CONTINUE +C + RETURN + END +C +C + SUBROUTINE QTRAN(A, M, N, C, K, IC1, IC2, NC, AN1, AN2, NCP, D, + * ITRAN, INDX) +C +C ALGORITHM AS 136.2 APPL. STATIST. (1979) VOL.28, NO.1 +C +C This is the quick transfer stage. +C IC1(I) is the cluster which point I belongs to. +C IC2(I) is the cluster which point I is most likely to be +C transferred to. +C For each point I, IC1(I) & IC2(I) are switched, if necessary, to +C reduce within-cluster sum of squares. The cluster centres are +C updated after each step. +C + INTEGER IC1(M), IC2(M), NC(K), NCP(K), ITRAN(K) + REAL A(M,N), D(M), C(K,N), AN1(K), AN2(K), ZERO, ONE +C +C Define BIG to be a very large positive number +C + DATA BIG /1.0E30/, ZERO /0.0/, ONE /1.0/ +C +C In the optimal transfer stage, NCP(L) indicates the step at which +C cluster L is last updated. In the quick transfer stage, NCP(L) +C is equal to the step at which cluster L is last updated plus M. +C + ICOUN = 0 + ISTEP = 0 + 10 DO 70 I = 1, M + ICOUN = ICOUN + 1 + ISTEP = ISTEP + 1 + L1 = IC1(I) + L2 = IC2(I) +C +C If point I is the only member of cluster L1, no transfer. +C + IF (NC(L1) .EQ. 1) GO TO 60 +C +C If ISTEP > NCP(L1), no need to re-compute distance from point I to +C cluster L1. Note that if cluster L1 is last updated exactly M +C steps ago, we still need to compute the distance from point I to +C cluster L1. +C + IF (ISTEP .GT. NCP(L1)) GO TO 30 + DA = ZERO + DO 20 J = 1, N + DB = A(I,J) - C(L1,J) + DA = DA + DB*DB + 20 CONTINUE + D(I) = DA * AN1(L1) +C +C If ISTEP >= both NCP(L1) & NCP(L2) there will be no transfer of +C point I at this step. +C + 30 IF (ISTEP .GE. NCP(L1) .AND. ISTEP .GE. NCP(L2)) GO TO 60 + R2 = D(I) / AN2(L2) + DD = ZERO + DO 40 J = 1, N + DE = A(I,J) - C(L2,J) + DD = DD + DE*DE + IF (DD .GE. R2) GO TO 60 + 40 CONTINUE +C +C Update cluster centres, NCP, NC, ITRAN, AN1 & AN2 for clusters +C L1 & L2. Also update IC1(I) & IC2(I). Note that if any +C updating occurs in this stage, INDX is set back to 0. +C + ICOUN = 0 + INDX = 0 + ITRAN(L1) = 1 + ITRAN(L2) = 1 + NCP(L1) = ISTEP + M + NCP(L2) = ISTEP + M + AL1 = NC(L1) + ALW = AL1 - ONE + AL2 = NC(L2) + ALT = AL2 + ONE + DO 50 J = 1, N + C(L1,J) = (C(L1,J) * AL1 - A(I,J)) / ALW + C(L2,J) = (C(L2,J) * AL2 + A(I,J)) / ALT + 50 CONTINUE + NC(L1) = NC(L1) - 1 + NC(L2) = NC(L2) + 1 + AN2(L1) = ALW / AL1 + AN1(L1) = BIG + IF (ALW .GT. ONE) AN1(L1) = ALW / (ALW - ONE) + AN1(L2) = ALT / AL2 + AN2(L2) = ALT / (ALT + ONE) + IC1(I) = L2 + IC2(I) = L1 +C +C If no re-allocation took place in the last M steps, return. +C + 60 IF (ICOUN .EQ. M) RETURN + 70 CONTINUE + GO TO 10 + END diff --git a/source/ga/common.inc b/source/ga/common.inc new file mode 100644 index 0000000..11f004a --- /dev/null +++ b/source/ga/common.inc @@ -0,0 +1,29 @@ + integer*4 :: timeArray(4) ! used for random seed + integer*4 :: npdb = 0 ! number of pdb files + integer*4 :: ntwham = 0 ! number of WHAM template files + integer*4 :: ntmremd = 0 ! number of MREMD template files + integer*4 :: nscripts = 0 ! number of shell scripts to copy + integer*4 :: maxgen = 0 ! maximum number of generations + integer*4 :: banksize = 0 ! size of bank + integer*4 :: generation = 1 ! current generation + integer*4 :: maxminstep = 0 ! max minimalization to be done by zscore + integer*4,parameter :: maxnpdb = 10 ! hard limit for maximum number of proteins + integer*4,parameter :: maxscripts = 10 + real*8 :: cicutoff = 5.0 ! CSA initial cutoff + real*8 :: csacutoff = 0.0 ! CSA cutoff + logical :: do_optima = .false. + logical :: do_ga = .false. + logical :: do_fs = .false. + character*32 :: pdbfiles(maxnpdb) + character*32 :: scripts(maxscripts) + character*32 :: whamtemplate(maxnpdb) + character*32 :: mremdtemplate(maxnpdb) + character*16 :: alg + + common /inputy/ npdb,nscripts,ntwham,ntmremd,maxgen,banksize,cicut& + &off,csacutoff,alg,pdbfiles,scripts,whamtemplate,mremdtemplate,gene& + &ration,maxminstep,do_optima, do_ga + character*7 :: version = "1.1.1" + character*50 :: info = "= Last modified by Lightnir 09/01/2012" + real*8,allocatable :: bank(:,:),populacja(:,:),temppopulacja(:,:) + integer*4, allocatable :: pairs(:) diff --git a/source/ga/input-templates/1L2Y.pdb b/source/ga/input-templates/1L2Y.pdb new file mode 100644 index 0000000..aa15c9c --- /dev/null +++ b/source/ga/input-templates/1L2Y.pdb @@ -0,0 +1,11812 @@ +HEADER DE NOVO PROTEIN 25-FEB-02 1L2Y +TITLE NMR STRUCTURE OF TRP-CAGE MINIPROTEIN CONSTRUCT TC5B +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: TC5B; +COMPND 3 CHAIN: A; +COMPND 4 ENGINEERED: YES +SOURCE MOL_ID: 1; +SOURCE 2 SYNTHETIC: YES; +SOURCE 3 OTHER_DETAILS: THE PROTEIN WAS SYNTHESIZED USING STANDARD +SOURCE 4 FMOC SOLID-PHASE SYNTHESIS METHODS ON AN APPLIED +SOURCE 5 BIOSYSTEMS 433A PEPTIDE SYNTHESIZER. +KEYWDS MINIPROTEIN, TWO-STATE FOLDING, TRP-CAGE, DE NOVO PROTEIN +EXPDTA SOLUTION NMR +NUMMDL 38 +AUTHOR J.W.NEIDIGH,R.M.FESINMEYER,N.H.ANDERSEN +REVDAT 2 24-FEB-09 1L2Y 1 VERSN +REVDAT 1 29-MAY-02 1L2Y 0 +JRNL AUTH J.W.NEIDIGH,R.M.FESINMEYER,N.H.ANDERSEN +JRNL TITL DESIGNING A 20-RESIDUE PROTEIN. +JRNL REF NAT.STRUCT.BIOL. V. 9 425 2002 +JRNL REFN ISSN 1072-8368 +JRNL PMID 11979279 +JRNL DOI 10.1038/NSB798 +REMARK 1 +REMARK 2 +REMARK 2 RESOLUTION. NOT APPLICABLE. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : AMBER 6.0 +REMARK 3 AUTHORS : KOLLMAN +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: 169 NOE DISTANCE CONSTRAINTS WERE +REMARK 3 EMPLOYED. CNS WAS EMPLOYED FOR S.A., FOLLOWED BY MINIMIZATION +REMARK 3 USING THE SANDER MODULE OF AMBER. +REMARK 4 +REMARK 4 1L2Y COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 28-FEB-02. +REMARK 100 THE RCSB ID CODE IS RCSB015598. +REMARK 210 +REMARK 210 EXPERIMENTAL DETAILS +REMARK 210 EXPERIMENT TYPE : NMR +REMARK 210 TEMPERATURE (KELVIN) : 282 +REMARK 210 PH : 7 +REMARK 210 IONIC STRENGTH : NULL +REMARK 210 PRESSURE : AMBIENT +REMARK 210 SAMPLE CONTENTS : 1.0-1.8 MM TC5B +REMARK 210 +REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY +REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ +REMARK 210 SPECTROMETER MODEL : DRX +REMARK 210 SPECTROMETER MANUFACTURER : BRUKER +REMARK 210 +REMARK 210 STRUCTURE DETERMINATION. +REMARK 210 SOFTWARE USED : XWINNMR 2.6, FELIX 95, CNS +REMARK 210 1.0, AMBER 6.0 +REMARK 210 METHOD USED : SIMULATED ANNEALING FROM +REMARK 210 RANDOM STRUCTURES FOLLOWED BY +REMARK 210 STEEPEST DESCENT MINIMIZATION +REMARK 210 +REMARK 210 CONFORMERS, NUMBER CALCULATED : 50 +REMARK 210 CONFORMERS, NUMBER SUBMITTED : 38 +REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH ACCEPTABLE +REMARK 210 COVALENT GEOMETRY, STRUCTURES +REMARK 210 WITH THE LEAST RESTRAINT +REMARK 210 VIOLATIONS +REMARK 210 +REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL +REMARK 210 +REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING STANDARD 2D +REMARK 210 HOMONUCLEAR TECHNIQUES. +REMARK 215 +REMARK 215 NMR STUDY +REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION +REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT +REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON +REMARK 215 THESE RECORDS ARE MEANINGLESS. +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: COVALENT BOND ANGLES +REMARK 500 +REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES +REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE +REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) +REMARK 500 +REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 +REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 +REMARK 500 +REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 +REMARK 500 2 ARG A 16 NE - CZ - NH1 ANGL. DEV. = 3.6 DEGREES +REMARK 500 13 ARG A 16 NE - CZ - NH1 ANGL. DEV. = 4.7 DEGREES +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 5 LEU A 2 -34.83 72.95 +REMARK 500 6 LEU A 2 -33.93 63.45 +REMARK 500 9 LEU A 2 -18.34 57.13 +REMARK 500 13 LEU A 2 -33.72 66.32 +REMARK 500 18 LEU A 2 -3.11 60.50 +REMARK 500 19 LEU A 2 -1.16 58.98 +REMARK 500 20 LEU A 2 -32.96 68.39 +REMARK 500 23 LEU A 2 -47.12 63.92 +REMARK 500 28 LEU A 2 -2.46 61.26 +REMARK 500 29 LEU A 2 -42.02 66.43 +REMARK 500 34 PRO A 12 11.15 -66.86 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 900 +REMARK 900 RELATED ENTRIES +REMARK 900 RELATED ID: 5292 RELATED DB: BMRB +REMARK 900 BMRB 5292 IS CHEMICAL SHIFTS FOR TC5B IN BUFFER AND BUFFER +REMARK 900 CONTAINING 30 VOL-% TFE. +REMARK 900 RELATED ID: 1JRJ RELATED DB: PDB +REMARK 900 1JRJ IS AN ANALAGOUS C-TERMINAL STRUCTURE. +DBREF 1L2Y A 1 20 PDB 1L2Y 1L2Y 1 20 +SEQRES 1 A 20 ASN LEU TYR ILE GLN TRP LEU LYS ASP GLY GLY PRO SER +SEQRES 2 A 20 SER GLY ARG PRO PRO PRO SER +HELIX 1 1 ASN A 1 ASP A 9 1 9 +HELIX 2 2 GLY A 10 GLY A 15 5 6 +CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 1.000000 0.000000 0.000000 0.00000 +SCALE2 0.000000 1.000000 0.000000 0.00000 +SCALE3 0.000000 0.000000 1.000000 0.00000 +MODEL 1 +ATOM 1 N ASN A 1 -8.901 4.127 -0.555 1.00 0.00 N +ATOM 2 CA ASN A 1 -8.608 3.135 -1.618 1.00 0.00 C +ATOM 3 C ASN A 1 -7.117 2.964 -1.897 1.00 0.00 C +ATOM 4 O ASN A 1 -6.634 1.849 -1.758 1.00 0.00 O +ATOM 5 CB ASN A 1 -9.437 3.396 -2.889 1.00 0.00 C +ATOM 6 CG ASN A 1 -10.915 3.130 -2.611 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -11.269 2.700 -1.524 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -11.806 3.406 -3.543 1.00 0.00 N +ATOM 9 H1 ASN A 1 -8.330 3.957 0.261 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.740 5.068 -0.889 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.877 4.041 -0.293 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.930 2.162 -1.239 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -9.310 4.417 -3.193 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -9.108 2.719 -3.679 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -11.572 3.791 -4.444 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -12.757 3.183 -3.294 1.00 0.00 H +ATOM 17 N LEU A 2 -6.379 4.031 -2.228 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.923 4.002 -2.452 1.00 0.00 C +ATOM 19 C LEU A 2 -4.136 3.187 -1.404 1.00 0.00 C +ATOM 20 O LEU A 2 -3.391 2.274 -1.760 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.411 5.450 -2.619 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.795 6.450 -1.495 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.612 6.803 -0.599 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -5.351 7.748 -2.084 1.00 0.00 C +ATOM 25 H LEU A 2 -6.821 4.923 -2.394 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.750 3.494 -3.403 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.340 5.414 -2.672 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -4.813 5.817 -3.564 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.568 6.022 -0.858 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -3.207 5.905 -0.146 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.841 7.304 -1.183 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.929 7.477 0.197 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -4.607 8.209 -2.736 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -6.255 7.544 -2.657 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -5.592 8.445 -1.281 1.00 0.00 H +ATOM 36 N TYR A 3 -4.354 3.455 -0.111 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.690 2.738 0.981 1.00 0.00 C +ATOM 38 C TYR A 3 -4.102 1.256 1.074 1.00 0.00 C +ATOM 39 O TYR A 3 -3.291 0.409 1.442 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.964 3.472 2.302 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.824 3.339 3.290 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.746 2.217 4.138 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.820 4.326 3.332 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.657 2.076 5.018 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.725 4.185 4.205 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.639 3.053 5.043 1.00 0.00 C +ATOM 47 OH TYR A 3 0.433 2.881 5.861 1.00 0.00 O +ATOM 48 H TYR A 3 -4.934 4.245 0.120 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.615 2.768 0.796 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.117 4.513 2.091 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.886 3.096 2.750 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.513 1.456 4.101 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.877 5.200 2.695 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.576 1.221 5.669 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.033 4.952 4.233 1.00 0.00 H +ATOM 56 HH TYR A 3 1.187 3.395 5.567 1.00 0.00 H +ATOM 57 N ILE A 4 -5.342 0.925 0.689 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.857 -0.449 0.613 1.00 0.00 C +ATOM 59 C ILE A 4 -5.089 -1.221 -0.470 1.00 0.00 C +ATOM 60 O ILE A 4 -4.621 -2.334 -0.226 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.386 -0.466 0.343 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.197 0.540 1.197 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.959 -1.884 0.501 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.019 0.412 2.715 1.00 0.00 C +ATOM 65 H ILE A 4 -5.906 1.656 0.283 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.670 -0.941 1.568 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.554 -0.192 -0.697 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -7.900 1.531 0.912 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -9.257 0.424 0.964 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.509 -2.555 -0.232 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.759 -2.271 1.501 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.036 -1.871 0.332 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -8.306 -0.585 3.049 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -6.983 0.606 2.995 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.656 1.144 3.213 1.00 0.00 H +ATOM 76 N GLN A 5 -4.907 -0.601 -1.645 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.122 -1.167 -2.743 1.00 0.00 C +ATOM 78 C GLN A 5 -2.629 -1.321 -2.390 1.00 0.00 C +ATOM 79 O GLN A 5 -1.986 -2.240 -2.884 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.292 -0.313 -4.013 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.244 -1.171 -5.290 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.576 -1.860 -5.585 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.769 -3.044 -5.335 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.532 -1.146 -6.152 1.00 0.00 N +ATOM 85 H GLN A 5 -5.327 0.318 -1.763 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.517 -2.162 -2.940 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.238 0.191 -3.969 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.492 0.429 -4.053 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -3.993 -0.539 -6.120 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -3.458 -1.923 -5.205 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -6.389 -0.184 -6.408 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -7.392 -1.635 -6.335 1.00 0.00 H +ATOM 93 N TRP A 6 -2.074 -0.459 -1.528 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.716 -0.631 -0.993 1.00 0.00 C +ATOM 95 C TRP A 6 -0.631 -1.766 0.044 1.00 0.00 C +ATOM 96 O TRP A 6 0.295 -2.579 -0.004 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.221 0.703 -0.417 1.00 0.00 C +ATOM 98 CG TRP A 6 1.148 0.652 0.194 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.319 0.664 -0.482 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.508 0.564 1.606 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.371 0.560 0.411 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.928 0.515 1.710 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.779 0.524 2.812 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.599 0.445 2.938 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.439 0.433 4.053 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.842 0.407 4.120 1.00 0.00 C +ATOM 107 H TRP A 6 -2.624 0.343 -1.242 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.052 -0.908 -1.813 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.206 1.425 -1.211 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.921 1.044 0.344 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.412 0.733 -1.558 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.360 0.536 0.156 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.299 0.571 2.773 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.679 0.418 2.961 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 0.862 0.400 4.966 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.334 0.360 5.081 1.00 0.00 H +ATOM 117 N LEU A 7 -1.600 -1.860 0.967 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.641 -2.932 1.963 1.00 0.00 C +ATOM 119 C LEU A 7 -1.847 -4.319 1.342 1.00 0.00 C +ATOM 120 O LEU A 7 -1.144 -5.248 1.742 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.710 -2.645 3.033 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.301 -1.579 4.069 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.475 -1.323 5.018 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.093 -2.007 4.914 1.00 0.00 C +ATOM 125 H LEU A 7 -2.316 -1.137 0.994 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.666 -2.978 2.445 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.600 -2.308 2.537 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.921 -3.571 3.572 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.061 -0.649 3.560 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.343 -0.992 4.449 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.725 -2.237 5.560 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.211 -0.549 5.739 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.270 -2.989 5.354 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.195 -2.045 4.300 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.922 -1.286 5.712 1.00 0.00 H +ATOM 136 N LYS A 8 -2.753 -4.481 0.360 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.024 -5.791 -0.269 1.00 0.00 C +ATOM 138 C LYS A 8 -1.796 -6.427 -0.937 1.00 0.00 C +ATOM 139 O LYS A 8 -1.719 -7.648 -1.030 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.224 -5.697 -1.232 1.00 0.00 C +ATOM 141 CG LYS A 8 -3.930 -5.009 -2.577 1.00 0.00 C +ATOM 142 CD LYS A 8 -3.682 -5.986 -3.736 1.00 0.00 C +ATOM 143 CE LYS A 8 -3.494 -5.199 -5.039 1.00 0.00 C +ATOM 144 NZ LYS A 8 -4.563 -5.483 -6.023 1.00 0.00 N +ATOM 145 H LYS A 8 -3.321 -3.675 0.097 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.309 -6.478 0.529 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.565 -6.694 -1.436 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -5.019 -5.143 -0.731 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.769 -4.390 -2.830 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -3.062 -4.368 -2.469 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -2.799 -6.562 -3.536 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -4.524 -6.674 -3.818 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -3.502 -4.150 -4.813 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -2.511 -5.439 -5.457 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -4.621 -6.474 -6.211 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -5.442 -5.124 -5.657 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -4.382 -4.983 -6.881 1.00 0.00 H +ATOM 158 N ASP A 9 -0.828 -5.607 -1.355 1.00 0.00 N +ATOM 159 CA ASP A 9 0.466 -6.016 -1.905 1.00 0.00 C +ATOM 160 C ASP A 9 1.481 -6.464 -0.832 1.00 0.00 C +ATOM 161 O ASP A 9 2.545 -6.971 -1.194 1.00 0.00 O +ATOM 162 CB ASP A 9 1.033 -4.839 -2.724 1.00 0.00 C +ATOM 163 CG ASP A 9 0.672 -4.906 -4.210 1.00 0.00 C +ATOM 164 OD1 ASP A 9 -0.532 -5.051 -4.522 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.627 -4.815 -5.017 1.00 0.00 O +ATOM 166 H ASP A 9 -1.010 -4.616 -1.291 1.00 0.00 H +ATOM 167 HA ASP A 9 0.319 -6.867 -2.574 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.644 -3.924 -2.320 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.116 -4.837 -2.650 1.00 0.00 H +ATOM 170 N GLY A 10 1.185 -6.278 0.464 1.00 0.00 N +ATOM 171 CA GLY A 10 2.060 -6.618 1.593 1.00 0.00 C +ATOM 172 C GLY A 10 2.628 -5.412 2.353 1.00 0.00 C +ATOM 173 O GLY A 10 3.496 -5.594 3.208 1.00 0.00 O +ATOM 174 H GLY A 10 0.265 -5.908 0.693 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.486 -7.214 2.304 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.897 -7.228 1.252 1.00 0.00 H +ATOM 177 N GLY A 11 2.172 -4.187 2.055 1.00 0.00 N +ATOM 178 CA GLY A 11 2.626 -2.967 2.723 1.00 0.00 C +ATOM 179 C GLY A 11 4.157 -2.802 2.654 1.00 0.00 C +ATOM 180 O GLY A 11 4.710 -2.829 1.551 1.00 0.00 O +ATOM 181 H GLY A 11 1.481 -4.089 1.319 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.164 -2.109 2.237 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.280 -2.997 3.753 1.00 0.00 H +ATOM 184 N PRO A 12 4.871 -2.651 3.794 1.00 0.00 N +ATOM 185 CA PRO A 12 6.333 -2.533 3.806 1.00 0.00 C +ATOM 186 C PRO A 12 7.058 -3.729 3.165 1.00 0.00 C +ATOM 187 O PRO A 12 8.139 -3.562 2.601 1.00 0.00 O +ATOM 188 CB PRO A 12 6.740 -2.387 5.279 1.00 0.00 C +ATOM 189 CG PRO A 12 5.460 -1.952 5.987 1.00 0.00 C +ATOM 190 CD PRO A 12 4.362 -2.615 5.160 1.00 0.00 C +ATOM 191 HA PRO A 12 6.611 -1.626 3.267 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.091 -3.323 5.670 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.531 -1.647 5.403 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.443 -2.302 7.001 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.358 -0.867 5.929 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.173 -3.609 5.516 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.440 -2.042 5.246 1.00 0.00 H +ATOM 198 N SER A 13 6.463 -4.929 3.205 1.00 0.00 N +ATOM 199 CA SER A 13 7.049 -6.179 2.704 1.00 0.00 C +ATOM 200 C SER A 13 6.897 -6.369 1.185 1.00 0.00 C +ATOM 201 O SER A 13 7.025 -7.488 0.697 1.00 0.00 O +ATOM 202 CB SER A 13 6.458 -7.371 3.472 1.00 0.00 C +ATOM 203 OG SER A 13 6.763 -7.264 4.850 1.00 0.00 O +ATOM 204 H SER A 13 5.535 -4.999 3.613 1.00 0.00 H +ATOM 205 HA SER A 13 8.121 -6.159 2.903 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.393 -7.382 3.344 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.880 -8.302 3.093 1.00 0.00 H +ATOM 208 HG SER A 13 7.707 -7.394 4.970 1.00 0.00 H +ATOM 209 N SER A 14 6.637 -5.290 0.434 1.00 0.00 N +ATOM 210 CA SER A 14 6.389 -5.315 -1.015 1.00 0.00 C +ATOM 211 C SER A 14 7.332 -4.405 -1.823 1.00 0.00 C +ATOM 212 O SER A 14 7.082 -4.123 -2.993 1.00 0.00 O +ATOM 213 CB SER A 14 4.914 -4.993 -1.265 1.00 0.00 C +ATOM 214 OG SER A 14 4.431 -5.743 -2.358 1.00 0.00 O +ATOM 215 H SER A 14 6.509 -4.415 0.930 1.00 0.00 H +ATOM 216 HA SER A 14 6.562 -6.329 -1.378 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.344 -5.236 -0.389 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.778 -3.934 -1.457 1.00 0.00 H +ATOM 219 HG SER A 14 3.714 -6.324 -1.987 1.00 0.00 H +ATOM 220 N GLY A 15 8.419 -3.920 -1.202 1.00 0.00 N +ATOM 221 CA GLY A 15 9.451 -3.116 -1.870 1.00 0.00 C +ATOM 222 C GLY A 15 8.984 -1.725 -2.316 1.00 0.00 C +ATOM 223 O GLY A 15 9.539 -1.177 -3.267 1.00 0.00 O +ATOM 224 H GLY A 15 8.573 -4.210 -0.246 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.297 -2.987 -1.194 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.805 -3.652 -2.752 1.00 0.00 H +ATOM 227 N ARG A 16 7.956 -1.164 -1.660 1.00 0.00 N +ATOM 228 CA ARG A 16 7.289 0.084 -2.054 1.00 0.00 C +ATOM 229 C ARG A 16 6.855 0.916 -0.829 1.00 0.00 C +ATOM 230 O ARG A 16 6.222 0.366 0.076 1.00 0.00 O +ATOM 231 CB ARG A 16 6.110 -0.243 -2.994 1.00 0.00 C +ATOM 232 CG ARG A 16 5.046 -1.171 -2.378 1.00 0.00 C +ATOM 233 CD ARG A 16 3.923 -1.592 -3.338 1.00 0.00 C +ATOM 234 NE ARG A 16 4.251 -2.811 -4.100 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.859 -2.914 -5.274 1.00 0.00 C +ATOM 236 NH1 ARG A 16 5.289 -1.864 -5.937 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.035 -4.095 -5.809 1.00 0.00 N +ATOM 238 H ARG A 16 7.579 -1.676 -0.874 1.00 0.00 H +ATOM 239 HA ARG A 16 8.009 0.663 -2.630 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.634 0.678 -3.269 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.524 -0.720 -3.880 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.538 -2.059 -2.031 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.579 -0.652 -1.549 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.033 -1.774 -2.766 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.669 -0.765 -4.003 1.00 0.00 H +ATOM 246 HE ARG A 16 3.963 -3.694 -3.698 1.00 0.00 H +ATOM 247 HH11 ARG A 16 5.150 -0.962 -5.521 1.00 0.00 H +ATOM 248 HH12 ARG A 16 5.761 -1.962 -6.815 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.649 -4.894 -5.327 1.00 0.00 H +ATOM 250 HH22 ARG A 16 5.508 -4.205 -6.684 1.00 0.00 H +ATOM 251 N PRO A 17 7.156 2.230 -0.780 1.00 0.00 N +ATOM 252 CA PRO A 17 6.782 3.088 0.345 1.00 0.00 C +ATOM 253 C PRO A 17 5.261 3.331 0.395 1.00 0.00 C +ATOM 254 O PRO A 17 4.586 3.165 -0.624 1.00 0.00 O +ATOM 255 CB PRO A 17 7.554 4.394 0.119 1.00 0.00 C +ATOM 256 CG PRO A 17 7.677 4.474 -1.401 1.00 0.00 C +ATOM 257 CD PRO A 17 7.820 3.010 -1.816 1.00 0.00 C +ATOM 258 HA PRO A 17 7.107 2.628 1.279 1.00 0.00 H +ATOM 259 HB2 PRO A 17 7.009 5.234 0.505 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.548 4.308 0.561 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.800 4.914 -1.836 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.540 5.066 -1.707 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.349 2.844 -2.766 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.876 2.739 -1.855 1.00 0.00 H +ATOM 265 N PRO A 18 4.710 3.739 1.555 1.00 0.00 N +ATOM 266 CA PRO A 18 3.287 4.031 1.686 1.00 0.00 C +ATOM 267 C PRO A 18 2.901 5.305 0.913 1.00 0.00 C +ATOM 268 O PRO A 18 3.684 6.256 0.871 1.00 0.00 O +ATOM 269 CB PRO A 18 3.035 4.190 3.187 1.00 0.00 C +ATOM 270 CG PRO A 18 4.385 4.655 3.729 1.00 0.00 C +ATOM 271 CD PRO A 18 5.393 3.949 2.823 1.00 0.00 C +ATOM 272 HA PRO A 18 2.719 3.181 1.316 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.274 4.924 3.372 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.781 3.223 3.618 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.482 5.721 3.654 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.518 4.377 4.775 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.262 4.562 2.682 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.662 2.983 3.253 1.00 0.00 H +ATOM 279 N PRO A 19 1.688 5.360 0.336 1.00 0.00 N +ATOM 280 CA PRO A 19 1.185 6.543 -0.353 1.00 0.00 C +ATOM 281 C PRO A 19 0.715 7.607 0.655 1.00 0.00 C +ATOM 282 O PRO A 19 -0.124 7.324 1.513 1.00 0.00 O +ATOM 283 CB PRO A 19 0.048 6.014 -1.229 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.519 4.852 -0.412 1.00 0.00 C +ATOM 285 CD PRO A 19 0.716 4.275 0.272 1.00 0.00 C +ATOM 286 HA PRO A 19 1.961 6.966 -0.991 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.697 6.770 -1.389 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.463 5.630 -2.162 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.232 5.201 0.310 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.019 4.114 -1.041 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.470 3.937 1.260 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.121 3.461 -0.329 1.00 0.00 H +ATOM 293 N SER A 20 1.271 8.822 0.549 1.00 0.00 N +ATOM 294 CA SER A 20 0.852 10.027 1.285 1.00 0.00 C +ATOM 295 C SER A 20 -0.406 10.657 0.683 1.00 0.00 C +ATOM 296 O SER A 20 -0.387 10.916 -0.540 1.00 0.00 O +ATOM 297 CB SER A 20 1.972 11.071 1.284 1.00 0.00 C +ATOM 298 OG SER A 20 3.120 10.541 1.911 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.341 10.903 1.473 1.00 0.00 O +ATOM 300 H SER A 20 1.969 8.961 -0.165 1.00 0.00 H +ATOM 301 HA SER A 20 0.601 9.760 2.310 1.00 0.00 H +ATOM 302 HB2 SER A 20 2.210 11.338 0.272 1.00 0.00 H +ATOM 303 HB3 SER A 20 1.636 11.959 1.824 1.00 0.00 H +ATOM 304 HG SER A 20 2.831 10.040 2.676 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 2 +ATOM 1 N ASN A 1 -6.919 6.901 0.917 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.682 6.025 -0.010 1.00 0.00 C +ATOM 3 C ASN A 1 -6.840 4.889 -0.589 1.00 0.00 C +ATOM 4 O ASN A 1 -7.106 3.741 -0.253 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.428 6.847 -1.072 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.504 7.659 -0.362 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -9.180 8.568 0.382 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.768 7.290 -0.468 1.00 0.00 N +ATOM 9 H1 ASN A 1 -6.513 6.358 1.667 1.00 0.00 H +ATOM 10 H2 ASN A 1 -6.191 7.398 0.422 1.00 0.00 H +ATOM 11 H3 ASN A 1 -7.553 7.592 1.308 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.451 5.523 0.581 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -7.743 7.506 -1.571 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.886 6.189 -1.811 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -11.078 6.519 -1.037 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -11.417 7.848 0.064 1.00 0.00 H +ATOM 17 N LEU A 2 -5.819 5.175 -1.412 1.00 0.00 N +ATOM 18 CA LEU A 2 -5.020 4.162 -2.130 1.00 0.00 C +ATOM 19 C LEU A 2 -4.244 3.179 -1.224 1.00 0.00 C +ATOM 20 O LEU A 2 -3.761 2.148 -1.693 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.073 4.863 -3.128 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.831 5.608 -4.250 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -5.010 7.109 -3.963 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -4.110 5.465 -5.592 1.00 0.00 C +ATOM 25 H LEU A 2 -5.631 6.133 -1.665 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.709 3.545 -2.710 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.472 5.572 -2.591 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.451 4.089 -3.583 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.820 5.160 -4.359 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.173 7.303 -2.907 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -4.124 7.663 -4.273 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -5.867 7.480 -4.526 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -3.114 5.904 -5.535 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -4.023 4.410 -5.855 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.683 5.969 -6.371 1.00 0.00 H +ATOM 36 N TYR A 3 -4.181 3.456 0.082 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.537 2.636 1.105 1.00 0.00 C +ATOM 38 C TYR A 3 -4.038 1.181 1.139 1.00 0.00 C +ATOM 39 O TYR A 3 -3.259 0.273 1.413 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.727 3.313 2.471 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.520 3.154 3.365 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.382 2.007 4.169 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.514 4.139 3.357 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.233 1.840 4.963 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.365 3.977 4.149 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.218 2.820 4.947 1.00 0.00 C +ATOM 47 OH TYR A 3 0.909 2.639 5.687 1.00 0.00 O +ATOM 48 H TYR A 3 -4.618 4.309 0.378 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.470 2.610 0.881 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.905 4.360 2.315 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.610 2.907 2.968 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.154 1.253 4.165 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.614 5.025 2.743 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.110 0.964 5.579 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.390 4.746 4.148 1.00 0.00 H +ATOM 56 HH TYR A 3 1.602 3.248 5.433 1.00 0.00 H +ATOM 57 N ILE A 4 -5.316 0.947 0.804 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.914 -0.393 0.686 1.00 0.00 C +ATOM 59 C ILE A 4 -5.157 -1.200 -0.382 1.00 0.00 C +ATOM 60 O ILE A 4 -4.755 -2.338 -0.140 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.421 -0.283 0.330 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.214 0.632 1.300 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.099 -1.670 0.270 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.489 1.191 0.662 1.00 0.00 C +ATOM 65 H ILE A 4 -5.889 1.753 0.580 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.814 -0.911 1.639 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.477 0.157 -0.667 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.484 0.062 2.168 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.616 1.489 1.603 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.421 -2.428 -0.112 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -8.432 -1.979 1.263 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.967 -1.620 -0.389 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -9.235 1.742 -0.245 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -10.180 0.385 0.416 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.973 1.875 1.360 1.00 0.00 H +ATOM 76 N GLN A 5 -4.948 -0.605 -1.564 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.253 -1.225 -2.692 1.00 0.00 C +ATOM 78 C GLN A 5 -2.763 -1.444 -2.393 1.00 0.00 C +ATOM 79 O GLN A 5 -2.186 -2.435 -2.832 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.443 -0.345 -3.944 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.608 -1.157 -5.242 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.950 -0.859 -5.909 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -6.138 0.164 -6.544 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.941 -1.718 -5.770 1.00 0.00 N +ATOM 85 H GLN A 5 -5.217 0.365 -1.657 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.707 -2.201 -2.864 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.320 0.258 -3.806 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.591 0.328 -4.050 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -3.816 -0.901 -5.919 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -4.525 -2.228 -5.051 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -6.847 -2.590 -5.280 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -7.781 -1.439 -6.247 1.00 0.00 H +ATOM 93 N TRP A 6 -2.145 -0.549 -1.610 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.791 -0.749 -1.090 1.00 0.00 C +ATOM 95 C TRP A 6 -0.713 -1.909 -0.084 1.00 0.00 C +ATOM 96 O TRP A 6 0.161 -2.766 -0.210 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.266 0.564 -0.501 1.00 0.00 C +ATOM 98 CG TRP A 6 1.149 0.501 -0.014 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.254 0.539 -0.795 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.637 0.388 1.358 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.382 0.433 -0.006 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.062 0.366 1.327 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.023 0.313 2.627 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.844 0.308 2.487 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.800 0.231 3.799 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.205 0.246 3.733 1.00 0.00 C +ATOM 107 H TRP A 6 -2.669 0.277 -1.341 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.144 -1.024 -1.920 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.327 1.320 -1.260 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.903 0.868 0.329 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.260 0.636 -1.868 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.347 0.425 -0.348 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.055 0.327 2.692 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.922 0.297 2.403 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.315 0.170 4.763 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.791 0.201 4.639 1.00 0.00 H +ATOM 117 N LEU A 7 -1.646 -1.992 0.877 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.701 -3.105 1.831 1.00 0.00 C +ATOM 119 C LEU A 7 -1.917 -4.465 1.152 1.00 0.00 C +ATOM 120 O LEU A 7 -1.290 -5.437 1.570 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.777 -2.856 2.905 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.370 -1.808 3.958 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.595 -1.444 4.805 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.255 -2.296 4.897 1.00 0.00 C +ATOM 125 H LEU A 7 -2.325 -1.238 0.964 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.726 -3.167 2.315 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.670 -2.517 2.417 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.988 -3.793 3.422 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.023 -0.911 3.448 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.368 -1.013 4.171 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.990 -2.337 5.292 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.314 -0.721 5.570 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.674 -2.706 5.816 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.651 -3.072 4.431 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.606 -1.459 5.148 1.00 0.00 H +ATOM 136 N LYS A 8 -2.727 -4.538 0.081 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.916 -5.759 -0.732 1.00 0.00 C +ATOM 138 C LYS A 8 -1.597 -6.366 -1.231 1.00 0.00 C +ATOM 139 O LYS A 8 -1.499 -7.582 -1.342 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.803 -5.459 -1.952 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.289 -5.218 -1.653 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.117 -6.512 -1.588 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.591 -6.248 -1.927 1.00 0.00 C +ATOM 144 NZ LYS A 8 -8.242 -5.337 -0.956 1.00 0.00 N +ATOM 145 H LYS A 8 -3.244 -3.695 -0.159 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.390 -6.527 -0.119 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.417 -4.581 -2.432 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.718 -6.282 -2.665 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.369 -4.715 -0.708 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.682 -4.593 -2.456 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.718 -7.218 -2.290 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.028 -6.959 -0.595 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.646 -5.806 -2.903 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -8.119 -7.204 -1.955 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.219 -5.741 -0.030 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.756 -4.452 -0.934 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -9.207 -5.176 -1.217 1.00 0.00 H +ATOM 158 N ASP A 9 -0.598 -5.528 -1.520 1.00 0.00 N +ATOM 159 CA ASP A 9 0.739 -5.926 -1.971 1.00 0.00 C +ATOM 160 C ASP A 9 1.608 -6.494 -0.823 1.00 0.00 C +ATOM 161 O ASP A 9 2.705 -7.002 -1.069 1.00 0.00 O +ATOM 162 CB ASP A 9 1.387 -4.675 -2.604 1.00 0.00 C +ATOM 163 CG ASP A 9 2.379 -4.929 -3.745 1.00 0.00 C +ATOM 164 OD1 ASP A 9 2.947 -6.037 -3.844 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.565 -3.967 -4.523 1.00 0.00 O +ATOM 166 H ASP A 9 -0.766 -4.537 -1.399 1.00 0.00 H +ATOM 167 HA ASP A 9 0.643 -6.697 -2.737 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.598 -4.057 -2.988 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.882 -4.089 -1.828 1.00 0.00 H +ATOM 170 N GLY A 10 1.186 -6.365 0.446 1.00 0.00 N +ATOM 171 CA GLY A 10 1.973 -6.740 1.632 1.00 0.00 C +ATOM 172 C GLY A 10 2.532 -5.564 2.451 1.00 0.00 C +ATOM 173 O GLY A 10 3.354 -5.783 3.347 1.00 0.00 O +ATOM 174 H GLY A 10 0.256 -5.985 0.605 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.333 -7.328 2.291 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.812 -7.373 1.342 1.00 0.00 H +ATOM 177 N GLY A 11 2.105 -4.325 2.171 1.00 0.00 N +ATOM 178 CA GLY A 11 2.505 -3.133 2.918 1.00 0.00 C +ATOM 179 C GLY A 11 4.031 -2.908 2.926 1.00 0.00 C +ATOM 180 O GLY A 11 4.638 -2.849 1.855 1.00 0.00 O +ATOM 181 H GLY A 11 1.516 -4.204 1.357 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.038 -2.263 2.459 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.123 -3.226 3.932 1.00 0.00 H +ATOM 184 N PRO A 12 4.693 -2.777 4.097 1.00 0.00 N +ATOM 185 CA PRO A 12 6.148 -2.595 4.163 1.00 0.00 C +ATOM 186 C PRO A 12 6.957 -3.724 3.506 1.00 0.00 C +ATOM 187 O PRO A 12 8.099 -3.504 3.110 1.00 0.00 O +ATOM 188 CB PRO A 12 6.499 -2.497 5.652 1.00 0.00 C +ATOM 189 CG PRO A 12 5.185 -2.111 6.326 1.00 0.00 C +ATOM 190 CD PRO A 12 4.127 -2.769 5.441 1.00 0.00 C +ATOM 191 HA PRO A 12 6.400 -1.655 3.673 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.853 -3.440 6.022 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.273 -1.749 5.829 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.140 -2.494 7.327 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.066 -1.027 6.297 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.932 -3.771 5.772 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.200 -2.199 5.491 1.00 0.00 H +ATOM 198 N SER A 13 6.381 -4.927 3.375 1.00 0.00 N +ATOM 199 CA SER A 13 7.056 -6.106 2.818 1.00 0.00 C +ATOM 200 C SER A 13 7.017 -6.159 1.275 1.00 0.00 C +ATOM 201 O SER A 13 7.448 -7.142 0.680 1.00 0.00 O +ATOM 202 CB SER A 13 6.474 -7.366 3.479 1.00 0.00 C +ATOM 203 OG SER A 13 7.471 -8.354 3.649 1.00 0.00 O +ATOM 204 H SER A 13 5.406 -5.030 3.647 1.00 0.00 H +ATOM 205 HA SER A 13 8.108 -6.044 3.095 1.00 0.00 H +ATOM 206 HB2 SER A 13 6.071 -7.105 4.439 1.00 0.00 H +ATOM 207 HB3 SER A 13 5.651 -7.761 2.885 1.00 0.00 H +ATOM 208 HG SER A 13 8.161 -8.011 4.225 1.00 0.00 H +ATOM 209 N SER A 14 6.529 -5.095 0.619 1.00 0.00 N +ATOM 210 CA SER A 14 6.302 -5.007 -0.834 1.00 0.00 C +ATOM 211 C SER A 14 7.350 -4.180 -1.591 1.00 0.00 C +ATOM 212 O SER A 14 7.202 -3.947 -2.792 1.00 0.00 O +ATOM 213 CB SER A 14 4.935 -4.369 -1.091 1.00 0.00 C +ATOM 214 OG SER A 14 3.965 -4.957 -0.265 1.00 0.00 O +ATOM 215 H SER A 14 6.105 -4.361 1.178 1.00 0.00 H +ATOM 216 HA SER A 14 6.289 -6.011 -1.260 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.989 -3.318 -0.882 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.656 -4.489 -2.138 1.00 0.00 H +ATOM 219 HG SER A 14 3.647 -5.806 -0.666 1.00 0.00 H +ATOM 220 N GLY A 15 8.373 -3.654 -0.908 1.00 0.00 N +ATOM 221 CA GLY A 15 9.445 -2.839 -1.497 1.00 0.00 C +ATOM 222 C GLY A 15 9.049 -1.393 -1.840 1.00 0.00 C +ATOM 223 O GLY A 15 9.855 -0.483 -1.659 1.00 0.00 O +ATOM 224 H GLY A 15 8.407 -3.857 0.081 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.287 -2.809 -0.807 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.786 -3.320 -2.417 1.00 0.00 H +ATOM 227 N ARG A 16 7.819 -1.163 -2.323 1.00 0.00 N +ATOM 228 CA ARG A 16 7.267 0.167 -2.623 1.00 0.00 C +ATOM 229 C ARG A 16 6.861 0.912 -1.332 1.00 0.00 C +ATOM 230 O ARG A 16 6.127 0.334 -0.526 1.00 0.00 O +ATOM 231 CB ARG A 16 6.068 -0.003 -3.571 1.00 0.00 C +ATOM 232 CG ARG A 16 5.414 1.333 -3.977 1.00 0.00 C +ATOM 233 CD ARG A 16 4.325 1.183 -5.049 1.00 0.00 C +ATOM 234 NE ARG A 16 3.153 0.425 -4.574 1.00 0.00 N +ATOM 235 CZ ARG A 16 2.950 -0.885 -4.652 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.781 -1.719 -5.224 1.00 0.00 N +ATOM 237 NH2 ARG A 16 1.882 -1.432 -4.137 1.00 0.00 N +ATOM 238 H ARG A 16 7.253 -1.991 -2.486 1.00 0.00 H +ATOM 239 HA ARG A 16 8.044 0.730 -3.139 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.405 -0.501 -4.460 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.323 -0.632 -3.081 1.00 0.00 H +ATOM 242 HG2 ARG A 16 4.972 1.774 -3.104 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.184 1.994 -4.374 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.002 2.161 -5.348 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.750 0.718 -5.940 1.00 0.00 H +ATOM 246 HE ARG A 16 2.420 0.960 -4.143 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.628 -1.423 -5.666 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.523 -2.718 -5.142 1.00 0.00 H +ATOM 249 HH21 ARG A 16 1.142 -0.941 -3.681 1.00 0.00 H +ATOM 250 HH22 ARG A 16 1.880 -2.460 -4.219 1.00 0.00 H +ATOM 251 N PRO A 17 7.251 2.191 -1.139 1.00 0.00 N +ATOM 252 CA PRO A 17 6.871 2.981 0.038 1.00 0.00 C +ATOM 253 C PRO A 17 5.351 3.255 0.119 1.00 0.00 C +ATOM 254 O PRO A 17 4.652 3.132 -0.890 1.00 0.00 O +ATOM 255 CB PRO A 17 7.673 4.286 -0.077 1.00 0.00 C +ATOM 256 CG PRO A 17 7.906 4.435 -1.577 1.00 0.00 C +ATOM 257 CD PRO A 17 8.086 2.989 -2.028 1.00 0.00 C +ATOM 258 HA PRO A 17 7.180 2.447 0.936 1.00 0.00 H +ATOM 259 HB2 PRO A 17 7.111 5.116 0.307 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.633 4.169 0.430 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.061 4.889 -2.058 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.783 5.042 -1.795 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.767 2.872 -3.046 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.129 2.692 -1.905 1.00 0.00 H +ATOM 265 N PRO A 18 4.829 3.643 1.300 1.00 0.00 N +ATOM 266 CA PRO A 18 3.403 3.904 1.495 1.00 0.00 C +ATOM 267 C PRO A 18 2.923 5.149 0.722 1.00 0.00 C +ATOM 268 O PRO A 18 3.644 6.147 0.672 1.00 0.00 O +ATOM 269 CB PRO A 18 3.222 4.081 3.006 1.00 0.00 C +ATOM 270 CG PRO A 18 4.595 4.541 3.490 1.00 0.00 C +ATOM 271 CD PRO A 18 5.551 3.810 2.554 1.00 0.00 C +ATOM 272 HA PRO A 18 2.843 3.030 1.174 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.475 4.822 3.217 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.979 3.120 3.459 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.701 5.605 3.396 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.768 4.278 4.535 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.440 4.391 2.399 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.790 2.828 2.968 1.00 0.00 H +ATOM 279 N PRO A 19 1.700 5.129 0.152 1.00 0.00 N +ATOM 280 CA PRO A 19 1.125 6.268 -0.557 1.00 0.00 C +ATOM 281 C PRO A 19 0.575 7.306 0.435 1.00 0.00 C +ATOM 282 O PRO A 19 -0.344 7.009 1.205 1.00 0.00 O +ATOM 283 CB PRO A 19 0.028 5.669 -1.440 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.475 4.478 -0.625 1.00 0.00 C +ATOM 285 CD PRO A 19 0.782 3.998 0.106 1.00 0.00 C +ATOM 286 HA PRO A 19 1.879 6.738 -1.190 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.759 6.379 -1.608 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.474 5.307 -2.369 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.233 4.781 0.071 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.891 3.701 -1.265 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.533 3.683 1.101 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.245 3.191 -0.461 1.00 0.00 H +ATOM 293 N SER A 20 1.145 8.513 0.410 1.00 0.00 N +ATOM 294 CA SER A 20 0.696 9.699 1.148 1.00 0.00 C +ATOM 295 C SER A 20 -0.231 10.590 0.317 1.00 0.00 C +ATOM 296 O SER A 20 -1.174 11.122 0.943 1.00 0.00 O +ATOM 297 CB SER A 20 1.911 10.475 1.671 1.00 0.00 C +ATOM 298 OG SER A 20 2.908 10.615 0.673 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.010 10.716 -0.908 1.00 0.00 O +ATOM 300 H SER A 20 1.907 8.704 -0.228 1.00 0.00 H +ATOM 301 HA SER A 20 0.105 9.384 2.006 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.593 11.450 1.985 1.00 0.00 H +ATOM 303 HB3 SER A 20 2.334 9.927 2.515 1.00 0.00 H +ATOM 304 HG SER A 20 3.569 11.243 0.968 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 3 +ATOM 1 N ASN A 1 -6.589 7.754 -0.571 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.389 6.514 -0.405 1.00 0.00 C +ATOM 3 C ASN A 1 -6.780 5.255 -1.052 1.00 0.00 C +ATOM 4 O ASN A 1 -7.487 4.266 -1.200 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.845 6.767 -0.857 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.521 7.797 0.047 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -8.922 8.257 1.009 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.737 8.213 -0.242 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.686 7.665 -0.127 1.00 0.00 H +ATOM 10 H2 ASN A 1 -6.476 7.977 -1.550 1.00 0.00 H +ATOM 11 H3 ASN A 1 -7.086 8.512 -0.117 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.439 6.298 0.664 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.842 7.132 -1.866 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -9.424 5.843 -0.797 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -11.261 7.891 -1.039 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -11.125 8.874 0.414 1.00 0.00 H +ATOM 17 N LEU A 2 -5.480 5.231 -1.392 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.832 4.056 -2.001 1.00 0.00 C +ATOM 19 C LEU A 2 -4.184 3.091 -0.988 1.00 0.00 C +ATOM 20 O LEU A 2 -3.640 2.061 -1.389 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.822 4.536 -3.062 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.511 4.943 -4.385 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.400 6.448 -4.640 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.900 4.181 -5.563 1.00 0.00 C +ATOM 25 H LEU A 2 -4.873 6.022 -1.250 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.585 3.455 -2.516 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.291 5.384 -2.674 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.120 3.726 -3.266 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.571 4.692 -4.345 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.890 6.998 -3.839 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.352 6.744 -4.701 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.890 6.694 -5.582 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.824 4.351 -5.605 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -4.093 3.114 -5.443 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.353 4.513 -6.498 1.00 0.00 H +ATOM 36 N TYR A 3 -4.252 3.387 0.316 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.584 2.609 1.367 1.00 0.00 C +ATOM 38 C TYR A 3 -4.003 1.131 1.375 1.00 0.00 C +ATOM 39 O TYR A 3 -3.167 0.257 1.584 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.828 3.261 2.737 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.625 3.147 3.649 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.431 2.000 4.441 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.668 4.180 3.663 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.274 1.880 5.234 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.512 4.070 4.456 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.306 2.910 5.235 1.00 0.00 C +ATOM 47 OH TYR A 3 0.828 2.769 5.969 1.00 0.00 O +ATOM 48 H TYR A 3 -4.725 4.233 0.586 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.512 2.640 1.167 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.053 4.300 2.590 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.698 2.806 3.217 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.165 1.208 4.426 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.819 5.061 3.058 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.103 1.003 5.839 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.213 4.873 4.463 1.00 0.00 H +ATOM 56 HH TYR A 3 1.448 3.481 5.798 1.00 0.00 H +ATOM 57 N ILE A 4 -5.279 0.849 1.085 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.832 -0.507 0.951 1.00 0.00 C +ATOM 59 C ILE A 4 -5.162 -1.250 -0.218 1.00 0.00 C +ATOM 60 O ILE A 4 -4.774 -2.406 -0.080 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.364 -0.433 0.749 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.090 0.338 1.884 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.975 -1.842 0.631 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.163 1.282 1.326 1.00 0.00 C +ATOM 65 H ILE A 4 -5.896 1.633 0.934 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.625 -1.065 1.865 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.545 0.087 -0.194 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.556 -0.369 2.543 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.392 0.938 2.466 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.611 -2.347 -0.263 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.710 -2.438 1.506 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.061 -1.773 0.565 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -8.695 2.037 0.690 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.891 0.720 0.741 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.673 1.781 2.148 1.00 0.00 H +ATOM 76 N GLN A 5 -5.009 -0.575 -1.365 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.335 -1.103 -2.553 1.00 0.00 C +ATOM 78 C GLN A 5 -2.863 -1.419 -2.249 1.00 0.00 C +ATOM 79 O GLN A 5 -2.395 -2.511 -2.553 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.497 -0.107 -3.724 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.929 -0.785 -5.036 1.00 0.00 C +ATOM 82 CD GLN A 5 -3.943 -1.843 -5.517 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.193 -3.032 -5.373 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -2.824 -1.457 -6.094 1.00 0.00 N +ATOM 85 H GLN A 5 -5.260 0.403 -1.368 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.818 -2.043 -2.816 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.239 0.620 -3.454 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.566 0.435 -3.888 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.882 -1.252 -4.881 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.049 -0.026 -5.809 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -2.586 -0.491 -6.238 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -2.170 -2.206 -6.277 1.00 0.00 H +ATOM 93 N TRP A 6 -2.154 -0.497 -1.588 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.771 -0.717 -1.152 1.00 0.00 C +ATOM 95 C TRP A 6 -0.632 -1.844 -0.111 1.00 0.00 C +ATOM 96 O TRP A 6 0.256 -2.687 -0.229 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.212 0.604 -0.620 1.00 0.00 C +ATOM 98 CG TRP A 6 1.197 0.514 -0.129 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.296 0.452 -0.915 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.679 0.425 1.247 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.420 0.332 -0.121 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.101 0.324 1.215 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.066 0.422 2.519 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.882 0.249 2.375 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.839 0.334 3.694 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.243 0.260 3.625 1.00 0.00 C +ATOM 107 H TRP A 6 -2.607 0.391 -1.386 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.178 -1.016 -2.020 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.248 1.329 -1.411 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.841 0.958 0.197 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.289 0.483 -1.998 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.387 0.296 -0.451 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.010 0.498 2.586 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.957 0.179 2.290 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.352 0.341 4.659 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.829 0.212 4.531 1.00 0.00 H +ATOM 117 N LEU A 7 -1.520 -1.904 0.893 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.537 -3.007 1.858 1.00 0.00 C +ATOM 119 C LEU A 7 -1.844 -4.359 1.198 1.00 0.00 C +ATOM 120 O LEU A 7 -1.228 -5.350 1.586 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.520 -2.723 3.008 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.010 -1.728 4.070 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.122 -1.497 5.096 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.775 -2.236 4.826 1.00 0.00 C +ATOM 125 H LEU A 7 -2.201 -1.155 0.992 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.534 -3.107 2.271 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.422 -2.325 2.584 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.740 -3.665 3.514 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.763 -0.780 3.597 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.006 -1.098 4.599 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.380 -2.437 5.585 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.791 -0.787 5.854 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -0.973 -3.222 5.249 1.00 0.00 H +ATOM 134 HD22 LEU A 7 0.080 -2.296 4.155 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.521 -1.546 5.630 1.00 0.00 H +ATOM 136 N LYS A 8 -2.716 -4.413 0.176 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.930 -5.631 -0.629 1.00 0.00 C +ATOM 138 C LYS A 8 -1.639 -6.169 -1.261 1.00 0.00 C +ATOM 139 O LYS A 8 -1.492 -7.384 -1.349 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.989 -5.413 -1.725 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.424 -5.638 -1.230 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.411 -5.713 -2.404 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.685 -4.341 -3.038 1.00 0.00 C +ATOM 144 NZ LYS A 8 -6.352 -4.311 -4.482 1.00 0.00 N +ATOM 145 H LYS A 8 -3.241 -3.572 -0.051 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.274 -6.422 0.036 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.906 -4.405 -2.084 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.797 -6.130 -2.525 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.464 -6.558 -0.680 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.719 -4.846 -0.542 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.003 -6.362 -3.154 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -7.356 -6.108 -2.033 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.726 -4.108 -2.919 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.117 -3.577 -2.500 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -5.352 -4.135 -4.636 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -6.602 -5.176 -4.938 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -6.827 -3.549 -4.942 1.00 0.00 H +ATOM 158 N ASP A 9 -0.694 -5.301 -1.644 1.00 0.00 N +ATOM 159 CA ASP A 9 0.627 -5.715 -2.141 1.00 0.00 C +ATOM 160 C ASP A 9 1.545 -6.280 -1.027 1.00 0.00 C +ATOM 161 O ASP A 9 2.653 -6.733 -1.322 1.00 0.00 O +ATOM 162 CB ASP A 9 1.362 -4.545 -2.833 1.00 0.00 C +ATOM 163 CG ASP A 9 0.631 -3.826 -3.974 1.00 0.00 C +ATOM 164 OD1 ASP A 9 -0.157 -4.486 -4.688 1.00 0.00 O +ATOM 165 OD2 ASP A 9 0.959 -2.631 -4.185 1.00 0.00 O +ATOM 166 H ASP A 9 -0.905 -4.313 -1.586 1.00 0.00 H +ATOM 167 HA ASP A 9 0.482 -6.505 -2.880 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.582 -3.813 -2.080 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.279 -4.946 -3.266 1.00 0.00 H +ATOM 170 N GLY A 10 1.135 -6.232 0.250 1.00 0.00 N +ATOM 171 CA GLY A 10 1.917 -6.656 1.417 1.00 0.00 C +ATOM 172 C GLY A 10 2.414 -5.500 2.294 1.00 0.00 C +ATOM 173 O GLY A 10 3.054 -5.736 3.320 1.00 0.00 O +ATOM 174 H GLY A 10 0.200 -5.879 0.438 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.298 -7.304 2.035 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.784 -7.233 1.096 1.00 0.00 H +ATOM 177 N GLY A 11 2.142 -4.244 1.916 1.00 0.00 N +ATOM 178 CA GLY A 11 2.643 -3.083 2.643 1.00 0.00 C +ATOM 179 C GLY A 11 4.182 -3.056 2.660 1.00 0.00 C +ATOM 180 O GLY A 11 4.791 -3.197 1.594 1.00 0.00 O +ATOM 181 H GLY A 11 1.623 -4.089 1.059 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.286 -2.178 2.156 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.244 -3.115 3.654 1.00 0.00 H +ATOM 184 N PRO A 12 4.842 -2.900 3.832 1.00 0.00 N +ATOM 185 CA PRO A 12 6.302 -2.829 3.917 1.00 0.00 C +ATOM 186 C PRO A 12 7.030 -4.020 3.276 1.00 0.00 C +ATOM 187 O PRO A 12 8.132 -3.843 2.757 1.00 0.00 O +ATOM 188 CB PRO A 12 6.642 -2.717 5.411 1.00 0.00 C +ATOM 189 CG PRO A 12 5.352 -2.223 6.059 1.00 0.00 C +ATOM 190 CD PRO A 12 4.260 -2.809 5.166 1.00 0.00 C +ATOM 191 HA PRO A 12 6.628 -1.916 3.416 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.925 -3.673 5.809 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.463 -2.016 5.581 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.263 -2.588 7.064 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.314 -1.133 6.017 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.974 -3.782 5.516 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.381 -2.165 5.191 1.00 0.00 H +ATOM 198 N SER A 13 6.424 -5.220 3.257 1.00 0.00 N +ATOM 199 CA SER A 13 7.055 -6.413 2.675 1.00 0.00 C +ATOM 200 C SER A 13 7.230 -6.327 1.155 1.00 0.00 C +ATOM 201 O SER A 13 8.109 -6.992 0.615 1.00 0.00 O +ATOM 202 CB SER A 13 6.276 -7.683 3.042 1.00 0.00 C +ATOM 203 OG SER A 13 5.083 -7.810 2.296 1.00 0.00 O +ATOM 204 H SER A 13 5.479 -5.307 3.613 1.00 0.00 H +ATOM 205 HA SER A 13 8.051 -6.506 3.109 1.00 0.00 H +ATOM 206 HB2 SER A 13 6.897 -8.537 2.850 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.031 -7.660 4.105 1.00 0.00 H +ATOM 208 HG SER A 13 5.284 -8.181 1.431 1.00 0.00 H +ATOM 209 N SER A 14 6.424 -5.506 0.464 1.00 0.00 N +ATOM 210 CA SER A 14 6.562 -5.254 -0.977 1.00 0.00 C +ATOM 211 C SER A 14 7.683 -4.260 -1.316 1.00 0.00 C +ATOM 212 O SER A 14 7.958 -4.028 -2.492 1.00 0.00 O +ATOM 213 CB SER A 14 5.232 -4.754 -1.561 1.00 0.00 C +ATOM 214 OG SER A 14 4.689 -5.759 -2.390 1.00 0.00 O +ATOM 215 H SER A 14 5.730 -4.974 0.980 1.00 0.00 H +ATOM 216 HA SER A 14 6.816 -6.193 -1.471 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.548 -4.536 -0.764 1.00 0.00 H +ATOM 218 HB3 SER A 14 5.400 -3.866 -2.170 1.00 0.00 H +ATOM 219 HG SER A 14 3.898 -6.171 -1.941 1.00 0.00 H +ATOM 220 N GLY A 15 8.320 -3.632 -0.318 1.00 0.00 N +ATOM 221 CA GLY A 15 9.452 -2.715 -0.493 1.00 0.00 C +ATOM 222 C GLY A 15 9.088 -1.324 -1.031 1.00 0.00 C +ATOM 223 O GLY A 15 9.745 -0.349 -0.674 1.00 0.00 O +ATOM 224 H GLY A 15 8.043 -3.844 0.636 1.00 0.00 H +ATOM 225 HA2 GLY A 15 9.948 -2.591 0.468 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.165 -3.167 -1.183 1.00 0.00 H +ATOM 227 N ARG A 16 8.043 -1.206 -1.866 1.00 0.00 N +ATOM 228 CA ARG A 16 7.509 0.078 -2.349 1.00 0.00 C +ATOM 229 C ARG A 16 6.942 0.905 -1.177 1.00 0.00 C +ATOM 230 O ARG A 16 6.183 0.348 -0.380 1.00 0.00 O +ATOM 231 CB ARG A 16 6.426 -0.188 -3.413 1.00 0.00 C +ATOM 232 CG ARG A 16 5.953 1.107 -4.102 1.00 0.00 C +ATOM 233 CD ARG A 16 4.797 0.884 -5.083 1.00 0.00 C +ATOM 234 NE ARG A 16 5.176 -0.019 -6.186 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.649 -1.200 -6.493 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.626 -1.720 -5.848 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.165 -1.891 -7.482 1.00 0.00 N +ATOM 238 H ARG A 16 7.615 -2.078 -2.159 1.00 0.00 H +ATOM 239 HA ARG A 16 8.337 0.615 -2.807 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.828 -0.848 -4.157 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.573 -0.680 -2.944 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.630 1.797 -3.346 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.793 1.555 -4.637 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.970 0.454 -4.552 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.515 1.851 -5.503 1.00 0.00 H +ATOM 246 HE ARG A 16 5.943 0.289 -6.761 1.00 0.00 H +ATOM 247 HH11 ARG A 16 3.180 -1.223 -5.093 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.231 -2.612 -6.088 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.951 -1.541 -8.001 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.778 -2.789 -7.706 1.00 0.00 H +ATOM 251 N PRO A 17 7.224 2.222 -1.082 1.00 0.00 N +ATOM 252 CA PRO A 17 6.670 3.081 -0.030 1.00 0.00 C +ATOM 253 C PRO A 17 5.138 3.240 -0.131 1.00 0.00 C +ATOM 254 O PRO A 17 4.571 3.021 -1.206 1.00 0.00 O +ATOM 255 CB PRO A 17 7.384 4.430 -0.195 1.00 0.00 C +ATOM 256 CG PRO A 17 7.755 4.460 -1.675 1.00 0.00 C +ATOM 257 CD PRO A 17 8.084 2.998 -1.964 1.00 0.00 C +ATOM 258 HA PRO A 17 6.923 2.656 0.942 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.729 5.243 0.053 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.293 4.437 0.408 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.932 4.798 -2.274 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.607 5.114 -1.870 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.877 2.763 -2.990 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.127 2.798 -1.720 1.00 0.00 H +ATOM 265 N PRO A 18 4.461 3.639 0.965 1.00 0.00 N +ATOM 266 CA PRO A 18 3.015 3.863 0.981 1.00 0.00 C +ATOM 267 C PRO A 18 2.598 5.121 0.193 1.00 0.00 C +ATOM 268 O PRO A 18 3.428 5.993 -0.068 1.00 0.00 O +ATOM 269 CB PRO A 18 2.645 3.981 2.465 1.00 0.00 C +ATOM 270 CG PRO A 18 3.916 4.525 3.112 1.00 0.00 C +ATOM 271 CD PRO A 18 5.026 3.878 2.287 1.00 0.00 C +ATOM 272 HA PRO A 18 2.518 2.995 0.551 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.825 4.659 2.602 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.430 2.993 2.869 1.00 0.00 H +ATOM 275 HG2 PRO A 18 3.957 5.595 3.042 1.00 0.00 H +ATOM 276 HG3 PRO A 18 3.983 4.249 4.165 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.870 4.536 2.218 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.309 2.925 2.736 1.00 0.00 H +ATOM 279 N PRO A 19 1.304 5.247 -0.167 1.00 0.00 N +ATOM 280 CA PRO A 19 0.774 6.401 -0.902 1.00 0.00 C +ATOM 281 C PRO A 19 0.569 7.659 -0.043 1.00 0.00 C +ATOM 282 O PRO A 19 0.515 8.755 -0.597 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.568 5.927 -1.467 1.00 0.00 C +ATOM 284 CG PRO A 19 -1.027 4.877 -0.459 1.00 0.00 C +ATOM 285 CD PRO A 19 0.279 4.224 -0.018 1.00 0.00 C +ATOM 286 HA PRO A 19 1.443 6.655 -1.727 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.269 6.738 -1.523 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.411 5.458 -2.438 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.528 5.334 0.372 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.691 4.148 -0.918 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.212 3.908 1.005 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.512 3.395 -0.684 1.00 0.00 H +ATOM 293 N SER A 20 0.445 7.509 1.283 1.00 0.00 N +ATOM 294 CA SER A 20 0.349 8.586 2.279 1.00 0.00 C +ATOM 295 C SER A 20 1.387 8.402 3.380 1.00 0.00 C +ATOM 296 O SER A 20 1.887 9.446 3.847 1.00 0.00 O +ATOM 297 CB SER A 20 -1.064 8.699 2.867 1.00 0.00 C +ATOM 298 OG SER A 20 -1.468 7.515 3.527 1.00 0.00 O +ATOM 299 OXT SER A 20 1.609 7.229 3.761 1.00 0.00 O +ATOM 300 H SER A 20 0.533 6.584 1.677 1.00 0.00 H +ATOM 301 HA SER A 20 0.581 9.535 1.797 1.00 0.00 H +ATOM 302 HB2 SER A 20 -1.081 9.509 3.570 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.771 8.923 2.068 1.00 0.00 H +ATOM 304 HG SER A 20 -0.877 7.386 4.279 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 4 +ATOM 1 N ASN A 1 -7.996 5.298 -0.779 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.990 4.067 -1.611 1.00 0.00 C +ATOM 3 C ASN A 1 -6.595 3.515 -1.890 1.00 0.00 C +ATOM 4 O ASN A 1 -6.409 2.326 -1.667 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.817 4.236 -2.891 1.00 0.00 C +ATOM 6 CG ASN A 1 -10.260 4.485 -2.482 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.595 5.590 -2.090 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -11.097 3.465 -2.420 1.00 0.00 N +ATOM 9 H1 ASN A 1 -7.499 5.145 0.089 1.00 0.00 H +ATOM 10 H2 ASN A 1 -7.580 6.071 -1.279 1.00 0.00 H +ATOM 11 H3 ASN A 1 -8.957 5.549 -0.571 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.483 3.285 -1.032 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.449 5.070 -3.456 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.756 3.334 -3.502 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -10.855 2.524 -2.688 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -12.028 3.700 -2.110 1.00 0.00 H +ATOM 17 N LEU A 2 -5.616 4.322 -2.330 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.255 3.853 -2.649 1.00 0.00 C +ATOM 19 C LEU A 2 -3.609 2.984 -1.550 1.00 0.00 C +ATOM 20 O LEU A 2 -2.969 1.976 -1.846 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.364 5.074 -2.976 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.035 5.287 -4.464 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -2.298 4.086 -5.067 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -4.283 5.609 -5.288 1.00 0.00 C +ATOM 25 H LEU A 2 -5.808 5.284 -2.567 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.324 3.212 -3.525 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.868 5.953 -2.622 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.413 4.965 -2.461 1.00 0.00 H +ATOM 29 HG LEU A 2 -2.366 6.146 -4.524 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -1.513 3.750 -4.388 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.985 3.262 -5.255 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -1.840 4.380 -6.010 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -4.988 4.779 -5.260 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -4.758 6.509 -4.897 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.993 5.793 -6.323 1.00 0.00 H +ATOM 36 N TYR A 3 -3.829 3.342 -0.280 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.352 2.587 0.881 1.00 0.00 C +ATOM 38 C TYR A 3 -3.885 1.142 0.933 1.00 0.00 C +ATOM 39 O TYR A 3 -3.182 0.255 1.410 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.714 3.350 2.166 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.571 3.426 3.153 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.238 2.307 3.939 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.826 4.614 3.277 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.172 2.377 4.854 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.758 4.692 4.190 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.434 3.573 4.988 1.00 0.00 C +ATOM 47 OH TYR A 3 0.564 3.651 5.909 1.00 0.00 O +ATOM 48 H TYR A 3 -4.312 4.211 -0.115 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.266 2.531 0.815 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.003 4.349 1.900 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.571 2.877 2.649 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -2.810 1.398 3.838 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.070 5.479 2.676 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -0.916 1.531 5.472 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.198 5.613 4.266 1.00 0.00 H +ATOM 56 HH TYR A 3 0.792 4.562 6.104 1.00 0.00 H +ATOM 57 N ILE A 4 -5.099 0.891 0.414 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.705 -0.444 0.348 1.00 0.00 C +ATOM 59 C ILE A 4 -4.882 -1.332 -0.589 1.00 0.00 C +ATOM 60 O ILE A 4 -4.466 -2.411 -0.181 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.191 -0.380 -0.086 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.038 0.622 0.737 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.836 -1.778 -0.048 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.051 0.390 2.254 1.00 0.00 C +ATOM 65 H ILE A 4 -5.574 1.642 -0.074 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.657 -0.892 1.341 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.230 -0.049 -1.125 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -7.652 1.607 0.557 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -9.066 0.590 0.375 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.351 -2.438 -0.767 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.744 -2.214 0.948 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.891 -1.708 -0.312 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -8.463 -0.592 2.485 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -7.043 0.470 2.659 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.674 1.150 2.725 1.00 0.00 H +ATOM 76 N GLN A 5 -4.600 -0.857 -1.811 1.00 0.00 N +ATOM 77 CA GLN A 5 -3.712 -1.519 -2.775 1.00 0.00 C +ATOM 78 C GLN A 5 -2.314 -1.759 -2.183 1.00 0.00 C +ATOM 79 O GLN A 5 -1.803 -2.878 -2.255 1.00 0.00 O +ATOM 80 CB GLN A 5 -3.634 -0.674 -4.062 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.792 -0.953 -5.031 1.00 0.00 C +ATOM 82 CD GLN A 5 -4.542 -2.214 -5.853 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.848 -3.320 -5.436 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -3.968 -2.093 -7.036 1.00 0.00 N +ATOM 85 H GLN A 5 -4.948 0.063 -2.038 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.122 -2.500 -3.019 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -3.656 0.364 -3.792 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -2.694 -0.880 -4.579 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.696 -1.078 -4.467 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -4.898 -0.106 -5.710 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -3.693 -1.205 -7.419 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -3.810 -2.965 -7.512 1.00 0.00 H +ATOM 93 N TRP A 6 -1.713 -0.734 -1.561 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.400 -0.841 -0.917 1.00 0.00 C +ATOM 95 C TRP A 6 -0.353 -1.931 0.171 1.00 0.00 C +ATOM 96 O TRP A 6 0.567 -2.757 0.175 1.00 0.00 O +ATOM 97 CB TRP A 6 0.005 0.531 -0.361 1.00 0.00 C +ATOM 98 CG TRP A 6 1.372 0.565 0.247 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.532 0.625 -0.442 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.747 0.483 1.657 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.594 0.565 0.438 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.169 0.480 1.743 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.032 0.393 2.872 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.853 0.395 2.965 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.707 0.293 4.104 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.112 0.296 4.154 1.00 0.00 C +ATOM 107 H TRP A 6 -2.186 0.167 -1.566 1.00 0.00 H +ATOM 108 HA TRP A 6 0.329 -1.126 -1.676 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.024 1.242 -1.164 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.716 0.838 0.395 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.616 0.684 -1.518 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.579 0.565 0.164 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.046 0.398 2.841 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.933 0.389 2.975 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.142 0.218 5.022 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.621 0.223 5.106 1.00 0.00 H +ATOM 117 N LEU A 7 -1.360 -1.961 1.060 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.529 -3.019 2.059 1.00 0.00 C +ATOM 119 C LEU A 7 -1.819 -4.386 1.425 1.00 0.00 C +ATOM 120 O LEU A 7 -1.263 -5.376 1.896 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.645 -2.652 3.058 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.265 -1.546 4.060 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.504 -1.129 4.860 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.186 -1.989 5.054 1.00 0.00 C +ATOM 125 H LEU A 7 -2.062 -1.224 1.020 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.594 -3.131 2.603 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.499 -2.320 2.500 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.915 -3.543 3.627 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.898 -0.680 3.518 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.273 -0.762 4.181 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.892 -1.977 5.422 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.243 -0.331 5.557 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.516 -2.875 5.597 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.258 -2.212 4.531 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.990 -1.188 5.767 1.00 0.00 H +ATOM 136 N LYS A 8 -2.636 -4.457 0.360 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.000 -5.710 -0.323 1.00 0.00 C +ATOM 138 C LYS A 8 -1.774 -6.506 -0.772 1.00 0.00 C +ATOM 139 O LYS A 8 -1.764 -7.728 -0.650 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.907 -5.437 -1.541 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.842 -6.624 -1.830 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.265 -6.337 -1.328 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.114 -7.612 -1.287 1.00 0.00 C +ATOM 144 NZ LYS A 8 -6.875 -8.381 -0.042 1.00 0.00 N +ATOM 145 H LYS A 8 -3.089 -3.595 0.056 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.534 -6.330 0.396 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.501 -4.566 -1.344 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.287 -5.248 -2.418 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.871 -6.798 -2.888 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -4.454 -7.529 -1.364 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.209 -5.923 -0.340 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.730 -5.625 -2.013 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -8.151 -7.343 -1.337 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.877 -8.220 -2.164 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -5.889 -8.591 0.053 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.168 -7.840 0.762 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -7.394 -9.248 -0.055 1.00 0.00 H +ATOM 158 N ASP A 9 -0.756 -5.802 -1.272 1.00 0.00 N +ATOM 159 CA ASP A 9 0.519 -6.369 -1.719 1.00 0.00 C +ATOM 160 C ASP A 9 1.466 -6.750 -0.552 1.00 0.00 C +ATOM 161 O ASP A 9 2.432 -7.481 -0.764 1.00 0.00 O +ATOM 162 CB ASP A 9 1.147 -5.356 -2.691 1.00 0.00 C +ATOM 163 CG ASP A 9 2.157 -5.999 -3.643 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.687 -6.708 -4.559 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.367 -5.733 -3.478 1.00 0.00 O +ATOM 166 H ASP A 9 -0.906 -4.806 -1.394 1.00 0.00 H +ATOM 167 HA ASP A 9 0.309 -7.281 -2.280 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.365 -4.908 -3.272 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.602 -4.539 -2.136 1.00 0.00 H +ATOM 170 N GLY A 10 1.166 -6.322 0.686 1.00 0.00 N +ATOM 171 CA GLY A 10 1.940 -6.628 1.899 1.00 0.00 C +ATOM 172 C GLY A 10 2.455 -5.411 2.687 1.00 0.00 C +ATOM 173 O GLY A 10 3.258 -5.576 3.605 1.00 0.00 O +ATOM 174 H GLY A 10 0.283 -5.838 0.808 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.308 -7.208 2.569 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.799 -7.243 1.641 1.00 0.00 H +ATOM 177 N GLY A 11 2.025 -4.190 2.349 1.00 0.00 N +ATOM 178 CA GLY A 11 2.501 -2.933 2.929 1.00 0.00 C +ATOM 179 C GLY A 11 4.035 -2.809 2.947 1.00 0.00 C +ATOM 180 O GLY A 11 4.636 -2.640 1.883 1.00 0.00 O +ATOM 181 H GLY A 11 1.426 -4.116 1.535 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.113 -2.118 2.323 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.088 -2.828 3.930 1.00 0.00 H +ATOM 184 N PRO A 12 4.714 -2.887 4.112 1.00 0.00 N +ATOM 185 CA PRO A 12 6.177 -2.830 4.177 1.00 0.00 C +ATOM 186 C PRO A 12 6.894 -3.885 3.322 1.00 0.00 C +ATOM 187 O PRO A 12 8.009 -3.632 2.870 1.00 0.00 O +ATOM 188 CB PRO A 12 6.543 -2.996 5.656 1.00 0.00 C +ATOM 189 CG PRO A 12 5.275 -2.581 6.397 1.00 0.00 C +ATOM 190 CD PRO A 12 4.158 -3.015 5.451 1.00 0.00 C +ATOM 191 HA PRO A 12 6.493 -1.842 3.843 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.796 -4.015 5.874 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.390 -2.365 5.930 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.198 -3.086 7.340 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.255 -1.495 6.510 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.876 -4.032 5.645 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.286 -2.377 5.597 1.00 0.00 H +ATOM 198 N SER A 13 6.272 -5.048 3.067 1.00 0.00 N +ATOM 199 CA SER A 13 6.859 -6.106 2.234 1.00 0.00 C +ATOM 200 C SER A 13 6.522 -5.983 0.737 1.00 0.00 C +ATOM 201 O SER A 13 6.868 -6.883 -0.022 1.00 0.00 O +ATOM 202 CB SER A 13 6.517 -7.490 2.809 1.00 0.00 C +ATOM 203 OG SER A 13 5.152 -7.809 2.665 1.00 0.00 O +ATOM 204 H SER A 13 5.336 -5.211 3.432 1.00 0.00 H +ATOM 205 HA SER A 13 7.945 -6.021 2.301 1.00 0.00 H +ATOM 206 HB2 SER A 13 7.100 -8.230 2.296 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.776 -7.504 3.869 1.00 0.00 H +ATOM 208 HG SER A 13 4.960 -7.945 1.731 1.00 0.00 H +ATOM 209 N SER A 14 5.879 -4.888 0.300 1.00 0.00 N +ATOM 210 CA SER A 14 5.483 -4.641 -1.100 1.00 0.00 C +ATOM 211 C SER A 14 6.594 -4.035 -1.979 1.00 0.00 C +ATOM 212 O SER A 14 6.388 -3.818 -3.171 1.00 0.00 O +ATOM 213 CB SER A 14 4.291 -3.674 -1.143 1.00 0.00 C +ATOM 214 OG SER A 14 3.244 -4.095 -0.294 1.00 0.00 O +ATOM 215 H SER A 14 5.551 -4.209 0.982 1.00 0.00 H +ATOM 216 HA SER A 14 5.168 -5.582 -1.554 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.621 -2.702 -0.832 1.00 0.00 H +ATOM 218 HB3 SER A 14 3.920 -3.612 -2.167 1.00 0.00 H +ATOM 219 HG SER A 14 2.497 -3.486 -0.373 1.00 0.00 H +ATOM 220 N GLY A 15 7.760 -3.685 -1.413 1.00 0.00 N +ATOM 221 CA GLY A 15 8.865 -3.074 -2.168 1.00 0.00 C +ATOM 222 C GLY A 15 8.636 -1.615 -2.597 1.00 0.00 C +ATOM 223 O GLY A 15 9.329 -1.131 -3.490 1.00 0.00 O +ATOM 224 H GLY A 15 7.882 -3.900 -0.435 1.00 0.00 H +ATOM 225 HA2 GLY A 15 9.772 -3.108 -1.566 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.044 -3.662 -3.070 1.00 0.00 H +ATOM 227 N ARG A 16 7.674 -0.910 -1.982 1.00 0.00 N +ATOM 228 CA ARG A 16 7.291 0.476 -2.303 1.00 0.00 C +ATOM 229 C ARG A 16 6.926 1.243 -1.019 1.00 0.00 C +ATOM 230 O ARG A 16 6.299 0.641 -0.143 1.00 0.00 O +ATOM 231 CB ARG A 16 6.095 0.409 -3.275 1.00 0.00 C +ATOM 232 CG ARG A 16 5.718 1.773 -3.872 1.00 0.00 C +ATOM 233 CD ARG A 16 4.496 1.668 -4.787 1.00 0.00 C +ATOM 234 NE ARG A 16 4.170 2.979 -5.381 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.620 3.482 -6.525 1.00 0.00 C +ATOM 236 NH1 ARG A 16 5.433 2.811 -7.310 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.260 4.687 -6.902 1.00 0.00 N +ATOM 238 H ARG A 16 7.165 -1.374 -1.242 1.00 0.00 H +ATOM 239 HA ARG A 16 8.134 0.962 -2.796 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.346 -0.256 -4.078 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.232 -0.006 -2.753 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.497 2.454 -3.073 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.563 2.153 -4.447 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.704 0.968 -5.573 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.644 1.325 -4.197 1.00 0.00 H +ATOM 246 HE ARG A 16 3.562 3.570 -4.839 1.00 0.00 H +ATOM 247 HH11 ARG A 16 5.714 1.890 -7.023 1.00 0.00 H +ATOM 248 HH12 ARG A 16 5.768 3.197 -8.173 1.00 0.00 H +ATOM 249 HH21 ARG A 16 3.648 5.240 -6.327 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.602 5.065 -7.766 1.00 0.00 H +ATOM 251 N PRO A 17 7.244 2.550 -0.887 1.00 0.00 N +ATOM 252 CA PRO A 17 6.834 3.351 0.272 1.00 0.00 C +ATOM 253 C PRO A 17 5.302 3.529 0.364 1.00 0.00 C +ATOM 254 O PRO A 17 4.613 3.423 -0.657 1.00 0.00 O +ATOM 255 CB PRO A 17 7.546 4.701 0.109 1.00 0.00 C +ATOM 256 CG PRO A 17 7.773 4.807 -1.398 1.00 0.00 C +ATOM 257 CD PRO A 17 8.043 3.359 -1.797 1.00 0.00 C +ATOM 258 HA PRO A 17 7.191 2.864 1.180 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.929 5.505 0.461 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.509 4.667 0.619 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.902 5.190 -1.895 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.614 5.459 -1.638 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.743 3.188 -2.813 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.099 3.130 -1.650 1.00 0.00 H +ATOM 265 N PRO A 18 4.761 3.830 1.562 1.00 0.00 N +ATOM 266 CA PRO A 18 3.330 4.041 1.763 1.00 0.00 C +ATOM 267 C PRO A 18 2.857 5.363 1.124 1.00 0.00 C +ATOM 268 O PRO A 18 3.561 6.372 1.215 1.00 0.00 O +ATOM 269 CB PRO A 18 3.122 4.052 3.280 1.00 0.00 C +ATOM 270 CG PRO A 18 4.467 4.528 3.826 1.00 0.00 C +ATOM 271 CD PRO A 18 5.475 3.963 2.826 1.00 0.00 C +ATOM 272 HA PRO A 18 2.789 3.199 1.338 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.336 4.730 3.554 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.928 3.039 3.629 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.513 5.600 3.853 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.649 4.156 4.834 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.306 4.633 2.716 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.808 2.979 3.157 1.00 0.00 H +ATOM 279 N PRO A 19 1.664 5.391 0.501 1.00 0.00 N +ATOM 280 CA PRO A 19 1.089 6.605 -0.071 1.00 0.00 C +ATOM 281 C PRO A 19 0.480 7.494 1.027 1.00 0.00 C +ATOM 282 O PRO A 19 -0.248 6.998 1.889 1.00 0.00 O +ATOM 283 CB PRO A 19 0.030 6.099 -1.056 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.452 4.787 -0.431 1.00 0.00 C +ATOM 285 CD PRO A 19 0.776 4.254 0.301 1.00 0.00 C +ATOM 286 HA PRO A 19 1.850 7.167 -0.612 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.777 6.800 -1.143 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.507 5.887 -2.015 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.258 4.965 0.255 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.783 4.076 -1.188 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.491 3.835 1.247 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.276 3.508 -0.318 1.00 0.00 H +ATOM 293 N SER A 20 0.773 8.801 0.994 1.00 0.00 N +ATOM 294 CA SER A 20 0.156 9.787 1.896 1.00 0.00 C +ATOM 295 C SER A 20 -1.215 10.283 1.430 1.00 0.00 C +ATOM 296 O SER A 20 -1.579 10.082 0.257 1.00 0.00 O +ATOM 297 CB SER A 20 1.058 11.002 2.110 1.00 0.00 C +ATOM 298 OG SER A 20 0.393 11.759 3.099 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.809 10.968 2.306 1.00 0.00 O +ATOM 300 H SER A 20 1.346 9.144 0.240 1.00 0.00 H +ATOM 301 HA SER A 20 -0.001 9.315 2.867 1.00 0.00 H +ATOM 302 HB2 SER A 20 2.029 10.699 2.452 1.00 0.00 H +ATOM 303 HB3 SER A 20 1.131 11.580 1.186 1.00 0.00 H +ATOM 304 HG SER A 20 -0.584 11.562 2.923 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 5 +ATOM 1 N ASN A 1 -8.175 6.595 -1.658 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.203 6.342 -0.567 1.00 0.00 C +ATOM 3 C ASN A 1 -5.868 5.761 -1.012 1.00 0.00 C +ATOM 4 O ASN A 1 -4.867 6.207 -0.471 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.789 5.475 0.551 1.00 0.00 C +ATOM 6 CG ASN A 1 -8.492 6.367 1.553 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -9.561 6.874 1.264 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -7.884 6.637 2.695 1.00 0.00 N +ATOM 9 H1 ASN A 1 -7.762 7.177 -2.374 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.486 5.725 -2.069 1.00 0.00 H +ATOM 11 H3 ASN A 1 -8.985 7.069 -1.275 1.00 0.00 H +ATOM 12 HA ASN A 1 -6.948 7.307 -0.124 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.491 4.779 0.135 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -6.995 4.925 1.061 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -6.974 6.276 2.941 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -8.390 7.244 3.321 1.00 0.00 H +ATOM 17 N LEU A 2 -5.828 4.741 -1.887 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.612 4.045 -2.368 1.00 0.00 C +ATOM 19 C LEU A 2 -3.979 3.125 -1.303 1.00 0.00 C +ATOM 20 O LEU A 2 -3.517 2.035 -1.641 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.580 5.040 -2.959 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.147 5.962 -4.067 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.532 7.367 -4.057 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.954 5.329 -5.447 1.00 0.00 C +ATOM 25 H LEU A 2 -6.690 4.354 -2.239 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.915 3.389 -3.185 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.214 5.658 -2.162 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.734 4.477 -3.358 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.216 6.098 -3.915 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -3.212 7.650 -3.053 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.676 7.423 -4.729 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.283 8.087 -4.385 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.891 5.203 -5.654 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -4.442 4.355 -5.483 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.390 5.972 -6.210 1.00 0.00 H +ATOM 36 N TYR A 3 -4.034 3.507 -0.022 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.488 2.754 1.113 1.00 0.00 C +ATOM 38 C TYR A 3 -3.999 1.304 1.197 1.00 0.00 C +ATOM 39 O TYR A 3 -3.219 0.398 1.481 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.764 3.518 2.421 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.555 3.588 3.333 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.195 2.479 4.123 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.776 4.762 3.370 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.050 2.538 4.942 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.643 4.831 4.199 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.268 3.716 4.975 1.00 0.00 C +ATOM 47 OH TYR A 3 0.867 3.769 5.724 1.00 0.00 O +ATOM 48 H TYR A 3 -4.320 4.468 0.138 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.408 2.707 0.979 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.066 4.518 2.176 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.590 3.050 2.959 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -2.793 1.578 4.096 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.027 5.621 2.759 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -0.776 1.690 5.552 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.044 5.734 4.228 1.00 0.00 H +ATOM 56 HH TYR A 3 1.327 2.931 5.742 1.00 0.00 H +ATOM 57 N ILE A 4 -5.288 1.067 0.907 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.894 -0.275 0.884 1.00 0.00 C +ATOM 59 C ILE A 4 -5.214 -1.162 -0.172 1.00 0.00 C +ATOM 60 O ILE A 4 -4.782 -2.273 0.130 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.430 -0.201 0.663 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.116 0.772 1.655 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.062 -1.596 0.813 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.454 2.122 1.015 1.00 0.00 C +ATOM 65 H ILE A 4 -5.869 1.867 0.710 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.718 -0.740 1.855 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.627 0.135 -0.357 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.024 0.321 2.007 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.470 0.935 2.519 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.644 -2.289 0.083 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.885 -1.983 1.817 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.137 -1.535 0.640 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.676 2.427 0.316 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.403 2.047 0.483 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.550 2.876 1.798 1.00 0.00 H +ATOM 76 N GLN A 5 -5.080 -0.655 -1.404 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.405 -1.359 -2.496 1.00 0.00 C +ATOM 78 C GLN A 5 -2.908 -1.559 -2.203 1.00 0.00 C +ATOM 79 O GLN A 5 -2.368 -2.623 -2.496 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.637 -0.594 -3.811 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.176 -1.352 -5.070 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.080 -2.517 -5.485 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.806 -3.119 -4.707 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -5.067 -2.886 -6.751 1.00 0.00 N +ATOM 85 H GLN A 5 -5.392 0.289 -1.566 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.856 -2.348 -2.581 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.687 -0.394 -3.904 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -4.096 0.353 -3.763 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -4.136 -0.654 -5.884 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -3.160 -1.723 -4.932 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.471 -2.439 -7.427 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -5.746 -3.581 -7.000 1.00 0.00 H +ATOM 93 N TRP A 6 -2.243 -0.575 -1.581 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.858 -0.716 -1.118 1.00 0.00 C +ATOM 95 C TRP A 6 -0.699 -1.828 -0.069 1.00 0.00 C +ATOM 96 O TRP A 6 0.195 -2.668 -0.194 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.351 0.624 -0.585 1.00 0.00 C +ATOM 98 CG TRP A 6 1.048 0.578 -0.054 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.171 0.607 -0.807 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.497 0.476 1.333 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.277 0.517 0.018 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.921 0.430 1.339 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.854 0.427 2.590 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.676 0.352 2.517 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.600 0.338 3.783 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.006 0.310 3.748 1.00 0.00 C +ATOM 107 H TRP A 6 -2.729 0.304 -1.422 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.238 -0.999 -1.969 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.385 1.340 -1.384 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -1.007 0.967 0.214 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.193 0.693 -1.885 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.245 0.568 -0.288 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.224 0.468 2.624 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.754 0.329 2.457 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.091 0.294 4.733 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.573 0.259 4.666 1.00 0.00 H +ATOM 117 N LEU A 7 -1.582 -1.882 0.939 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.603 -2.983 1.905 1.00 0.00 C +ATOM 119 C LEU A 7 -1.840 -4.339 1.225 1.00 0.00 C +ATOM 120 O LEU A 7 -1.195 -5.312 1.611 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.648 -2.725 3.008 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.246 -1.632 4.018 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.417 -1.351 4.965 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.033 -2.033 4.868 1.00 0.00 C +ATOM 125 H LEU A 7 -2.278 -1.141 1.019 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.618 -3.051 2.362 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.566 -2.428 2.539 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.811 -3.653 3.557 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.009 -0.713 3.490 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.299 -1.072 4.387 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.642 -2.240 5.555 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.161 -0.532 5.635 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.219 -2.989 5.358 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.146 -2.116 4.244 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.847 -1.273 5.626 1.00 0.00 H +ATOM 136 N LYS A 8 -2.685 -4.402 0.182 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.936 -5.625 -0.601 1.00 0.00 C +ATOM 138 C LYS A 8 -1.667 -6.232 -1.217 1.00 0.00 C +ATOM 139 O LYS A 8 -1.582 -7.450 -1.336 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.985 -5.346 -1.693 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.692 -6.641 -2.114 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.718 -6.428 -3.232 1.00 0.00 C +ATOM 143 CE LYS A 8 -5.032 -6.294 -4.599 1.00 0.00 C +ATOM 144 NZ LYS A 8 -5.771 -7.040 -5.645 1.00 0.00 N +ATOM 145 H LYS A 8 -3.211 -3.559 -0.040 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.336 -6.373 0.084 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.713 -4.655 -1.313 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.500 -4.897 -2.560 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -3.952 -7.338 -2.457 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.210 -7.046 -1.244 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.387 -7.266 -3.257 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.315 -5.536 -3.029 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -4.993 -5.257 -4.871 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -4.012 -6.679 -4.526 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -5.793 -8.024 -5.407 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -6.721 -6.700 -5.709 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -5.316 -6.938 -6.542 1.00 0.00 H +ATOM 158 N ASP A 9 -0.684 -5.400 -1.577 1.00 0.00 N +ATOM 159 CA ASP A 9 0.625 -5.836 -2.086 1.00 0.00 C +ATOM 160 C ASP A 9 1.499 -6.498 -0.998 1.00 0.00 C +ATOM 161 O ASP A 9 2.414 -7.249 -1.327 1.00 0.00 O +ATOM 162 CB ASP A 9 1.344 -4.617 -2.703 1.00 0.00 C +ATOM 163 CG ASP A 9 2.032 -4.934 -4.036 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.293 -5.094 -5.034 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.282 -4.935 -4.072 1.00 0.00 O +ATOM 166 H ASP A 9 -0.848 -4.407 -1.477 1.00 0.00 H +ATOM 167 HA ASP A 9 0.459 -6.576 -2.871 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.621 -3.842 -2.868 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.073 -4.222 -1.993 1.00 0.00 H +ATOM 170 N GLY A 10 1.197 -6.249 0.290 1.00 0.00 N +ATOM 171 CA GLY A 10 1.964 -6.697 1.458 1.00 0.00 C +ATOM 172 C GLY A 10 2.454 -5.562 2.375 1.00 0.00 C +ATOM 173 O GLY A 10 3.219 -5.821 3.307 1.00 0.00 O +ATOM 174 H GLY A 10 0.340 -5.733 0.471 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.338 -7.359 2.052 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.839 -7.260 1.131 1.00 0.00 H +ATOM 177 N GLY A 11 2.062 -4.303 2.120 1.00 0.00 N +ATOM 178 CA GLY A 11 2.530 -3.141 2.879 1.00 0.00 C +ATOM 179 C GLY A 11 4.060 -2.973 2.802 1.00 0.00 C +ATOM 180 O GLY A 11 4.611 -3.075 1.699 1.00 0.00 O +ATOM 181 H GLY A 11 1.492 -4.143 1.300 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.070 -2.244 2.466 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.200 -3.255 3.909 1.00 0.00 H +ATOM 184 N PRO A 12 4.771 -2.727 3.926 1.00 0.00 N +ATOM 185 CA PRO A 12 6.226 -2.519 3.940 1.00 0.00 C +ATOM 186 C PRO A 12 7.037 -3.646 3.278 1.00 0.00 C +ATOM 187 O PRO A 12 8.097 -3.395 2.709 1.00 0.00 O +ATOM 188 CB PRO A 12 6.621 -2.378 5.418 1.00 0.00 C +ATOM 189 CG PRO A 12 5.327 -1.974 6.119 1.00 0.00 C +ATOM 190 CD PRO A 12 4.247 -2.658 5.284 1.00 0.00 C +ATOM 191 HA PRO A 12 6.447 -1.585 3.423 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.987 -3.310 5.804 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.399 -1.626 5.554 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.312 -2.328 7.132 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.205 -0.892 6.065 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.054 -3.644 5.660 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.323 -2.082 5.337 1.00 0.00 H +ATOM 198 N SER A 13 6.521 -4.880 3.304 1.00 0.00 N +ATOM 199 CA SER A 13 7.176 -6.096 2.804 1.00 0.00 C +ATOM 200 C SER A 13 7.053 -6.286 1.281 1.00 0.00 C +ATOM 201 O SER A 13 7.203 -7.401 0.787 1.00 0.00 O +ATOM 202 CB SER A 13 6.621 -7.302 3.574 1.00 0.00 C +ATOM 203 OG SER A 13 6.881 -7.134 4.956 1.00 0.00 O +ATOM 204 H SER A 13 5.621 -5.007 3.748 1.00 0.00 H +ATOM 205 HA SER A 13 8.242 -6.031 3.029 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.562 -7.373 3.414 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.106 -8.216 3.229 1.00 0.00 H +ATOM 208 HG SER A 13 6.464 -7.849 5.442 1.00 0.00 H +ATOM 209 N SER A 14 6.792 -5.202 0.538 1.00 0.00 N +ATOM 210 CA SER A 14 6.428 -5.207 -0.894 1.00 0.00 C +ATOM 211 C SER A 14 7.386 -4.379 -1.769 1.00 0.00 C +ATOM 212 O SER A 14 7.101 -4.123 -2.941 1.00 0.00 O +ATOM 213 CB SER A 14 4.978 -4.731 -1.093 1.00 0.00 C +ATOM 214 OG SER A 14 4.172 -4.953 0.037 1.00 0.00 O +ATOM 215 H SER A 14 6.675 -4.342 1.057 1.00 0.00 H +ATOM 216 HA SER A 14 6.470 -6.235 -1.257 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.988 -3.679 -1.305 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.551 -5.239 -1.956 1.00 0.00 H +ATOM 219 HG SER A 14 4.342 -4.220 0.679 1.00 0.00 H +ATOM 220 N GLY A 15 8.502 -3.913 -1.182 1.00 0.00 N +ATOM 221 CA GLY A 15 9.546 -3.129 -1.849 1.00 0.00 C +ATOM 222 C GLY A 15 9.114 -1.724 -2.287 1.00 0.00 C +ATOM 223 O GLY A 15 9.680 -1.186 -3.235 1.00 0.00 O +ATOM 224 H GLY A 15 8.649 -4.194 -0.222 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.391 -3.019 -1.170 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.893 -3.670 -2.730 1.00 0.00 H +ATOM 227 N ARG A 16 8.100 -1.139 -1.630 1.00 0.00 N +ATOM 228 CA ARG A 16 7.450 0.119 -2.030 1.00 0.00 C +ATOM 229 C ARG A 16 6.928 0.911 -0.816 1.00 0.00 C +ATOM 230 O ARG A 16 6.269 0.321 0.044 1.00 0.00 O +ATOM 231 CB ARG A 16 6.317 -0.179 -3.034 1.00 0.00 C +ATOM 232 CG ARG A 16 5.288 -1.191 -2.504 1.00 0.00 C +ATOM 233 CD ARG A 16 4.285 -1.659 -3.553 1.00 0.00 C +ATOM 234 NE ARG A 16 4.933 -2.527 -4.549 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.527 -2.735 -5.794 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.493 -2.100 -6.302 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.167 -3.578 -6.566 1.00 0.00 N +ATOM 238 H ARG A 16 7.708 -1.640 -0.844 1.00 0.00 H +ATOM 239 HA ARG A 16 8.196 0.717 -2.550 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.809 0.739 -3.257 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.768 -0.575 -3.945 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.817 -2.049 -2.135 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.734 -0.757 -1.678 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.499 -2.206 -3.068 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.837 -0.783 -4.024 1.00 0.00 H +ATOM 246 HE ARG A 16 5.648 -3.155 -4.195 1.00 0.00 H +ATOM 247 HH11 ARG A 16 2.947 -1.544 -5.671 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.153 -2.320 -7.218 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.883 -4.149 -6.152 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.831 -3.768 -7.490 1.00 0.00 H +ATOM 251 N PRO A 17 7.167 2.235 -0.738 1.00 0.00 N +ATOM 252 CA PRO A 17 6.698 3.071 0.368 1.00 0.00 C +ATOM 253 C PRO A 17 5.171 3.287 0.323 1.00 0.00 C +ATOM 254 O PRO A 17 4.562 3.090 -0.732 1.00 0.00 O +ATOM 255 CB PRO A 17 7.457 4.393 0.202 1.00 0.00 C +ATOM 256 CG PRO A 17 7.658 4.498 -1.308 1.00 0.00 C +ATOM 257 CD PRO A 17 7.864 3.045 -1.729 1.00 0.00 C +ATOM 258 HA PRO A 17 6.972 2.607 1.317 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.878 5.217 0.571 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.428 4.317 0.695 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.793 4.919 -1.784 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.520 5.115 -1.561 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.450 2.878 -2.705 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.927 2.802 -1.714 1.00 0.00 H +ATOM 265 N PRO A 18 4.543 3.703 1.441 1.00 0.00 N +ATOM 266 CA PRO A 18 3.105 3.956 1.499 1.00 0.00 C +ATOM 267 C PRO A 18 2.686 5.190 0.673 1.00 0.00 C +ATOM 268 O PRO A 18 3.440 6.163 0.597 1.00 0.00 O +ATOM 269 CB PRO A 18 2.777 4.132 2.983 1.00 0.00 C +ATOM 270 CG PRO A 18 4.091 4.608 3.598 1.00 0.00 C +ATOM 271 CD PRO A 18 5.149 3.902 2.752 1.00 0.00 C +ATOM 272 HA PRO A 18 2.585 3.075 1.131 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.005 4.865 3.119 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.506 3.167 3.411 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.187 5.674 3.523 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.169 4.334 4.651 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.028 4.511 2.668 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.384 2.932 3.191 1.00 0.00 H +ATOM 279 N PRO A 19 1.485 5.179 0.063 1.00 0.00 N +ATOM 280 CA PRO A 19 0.959 6.296 -0.711 1.00 0.00 C +ATOM 281 C PRO A 19 0.308 7.346 0.205 1.00 0.00 C +ATOM 282 O PRO A 19 -0.866 7.217 0.563 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.038 5.662 -1.685 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.611 4.494 -0.880 1.00 0.00 C +ATOM 285 CD PRO A 19 0.571 4.046 -0.020 1.00 0.00 C +ATOM 286 HA PRO A 19 1.758 6.771 -1.284 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.808 6.358 -1.956 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.500 5.276 -2.551 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.432 4.815 -0.268 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.960 3.695 -1.533 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.232 3.772 0.961 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.080 3.221 -0.514 1.00 0.00 H +ATOM 293 N SER A 20 1.081 8.389 0.531 1.00 0.00 N +ATOM 294 CA SER A 20 0.712 9.526 1.401 1.00 0.00 C +ATOM 295 C SER A 20 0.588 9.160 2.890 1.00 0.00 C +ATOM 296 O SER A 20 0.262 10.095 3.652 1.00 0.00 O +ATOM 297 CB SER A 20 -0.566 10.221 0.907 1.00 0.00 C +ATOM 298 OG SER A 20 -0.448 10.583 -0.457 1.00 0.00 O +ATOM 299 OXT SER A 20 0.841 7.989 3.253 1.00 0.00 O +ATOM 300 H SER A 20 2.044 8.336 0.235 1.00 0.00 H +ATOM 301 HA SER A 20 1.510 10.263 1.347 1.00 0.00 H +ATOM 302 HB2 SER A 20 -1.397 9.552 1.023 1.00 0.00 H +ATOM 303 HB3 SER A 20 -0.739 11.118 1.507 1.00 0.00 H +ATOM 304 HG SER A 20 -1.325 10.595 -0.845 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 6 +ATOM 1 N ASN A 1 -8.386 5.528 0.323 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.252 6.475 0.201 1.00 0.00 C +ATOM 3 C ASN A 1 -5.976 5.793 -0.320 1.00 0.00 C +ATOM 4 O ASN A 1 -4.928 5.981 0.279 1.00 0.00 O +ATOM 5 CB ASN A 1 -6.989 7.168 1.563 1.00 0.00 C +ATOM 6 CG ASN A 1 -8.182 7.971 2.069 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -9.321 7.671 1.737 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -7.956 8.989 2.877 1.00 0.00 N +ATOM 9 H1 ASN A 1 -8.680 5.191 -0.583 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.133 4.750 0.917 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.162 6.024 0.757 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.519 7.256 -0.513 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -6.753 6.414 2.289 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -6.141 7.847 1.464 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -7.025 9.245 3.168 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -8.768 9.497 3.186 1.00 0.00 H +ATOM 17 N LEU A 2 -6.033 4.992 -1.399 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.893 4.279 -2.026 1.00 0.00 C +ATOM 19 C LEU A 2 -4.189 3.209 -1.150 1.00 0.00 C +ATOM 20 O LEU A 2 -3.787 2.161 -1.653 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.898 5.323 -2.592 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.403 5.048 -4.026 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.520 5.284 -5.049 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.245 5.991 -4.373 1.00 0.00 C +ATOM 25 H LEU A 2 -6.896 4.918 -1.915 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.303 3.724 -2.868 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.382 6.281 -2.586 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.041 5.381 -1.923 1.00 0.00 H +ATOM 29 HG LEU A 2 -3.055 4.018 -4.106 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.356 4.614 -4.868 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -4.864 6.318 -4.993 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.141 5.093 -6.053 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.447 7.000 -4.006 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -1.330 5.621 -3.919 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -2.089 6.031 -5.450 1.00 0.00 H +ATOM 36 N TYR A 3 -4.112 3.429 0.165 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.496 2.595 1.193 1.00 0.00 C +ATOM 38 C TYR A 3 -4.014 1.148 1.203 1.00 0.00 C +ATOM 39 O TYR A 3 -3.249 0.231 1.485 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.710 3.279 2.555 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.553 3.084 3.510 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.456 1.903 4.268 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.561 4.078 3.620 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.355 1.701 5.120 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.454 3.878 4.467 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.345 2.682 5.210 1.00 0.00 C +ATOM 47 OH TYR A 3 0.737 2.459 6.003 1.00 0.00 O +ATOM 48 H TYR A 3 -4.356 4.372 0.451 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.424 2.563 0.995 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.843 4.331 2.391 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.629 2.908 3.015 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.225 1.149 4.184 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.654 5.000 3.056 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.263 0.796 5.701 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.299 4.646 4.556 1.00 0.00 H +ATOM 56 HH TYR A 3 1.435 3.096 5.844 1.00 0.00 H +ATOM 57 N ILE A 4 -5.288 0.927 0.844 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.882 -0.413 0.700 1.00 0.00 C +ATOM 59 C ILE A 4 -5.155 -1.216 -0.392 1.00 0.00 C +ATOM 60 O ILE A 4 -4.783 -2.368 -0.166 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.403 -0.333 0.415 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.165 0.597 1.397 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.025 -1.739 0.474 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.569 1.925 0.742 1.00 0.00 C +ATOM 65 H ILE A 4 -5.849 1.736 0.639 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.742 -0.945 1.643 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.545 0.041 -0.602 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.051 0.094 1.733 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.558 0.797 2.280 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.561 -2.398 -0.261 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.892 -2.168 1.469 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.091 -1.683 0.250 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.690 2.447 0.367 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.256 1.730 -0.083 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.076 2.550 1.478 1.00 0.00 H +ATOM 76 N GLN A 5 -4.919 -0.602 -1.563 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.148 -1.213 -2.650 1.00 0.00 C +ATOM 78 C GLN A 5 -2.698 -1.477 -2.220 1.00 0.00 C +ATOM 79 O GLN A 5 -2.176 -2.563 -2.456 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.189 -0.338 -3.923 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.048 -0.952 -5.043 1.00 0.00 C +ATOM 82 CD GLN A 5 -4.557 -0.530 -6.426 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -3.843 -1.254 -7.098 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -4.900 0.648 -6.907 1.00 0.00 N +ATOM 85 H GLN A 5 -5.147 0.379 -1.642 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.590 -2.184 -2.870 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.595 0.621 -3.666 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.171 -0.226 -4.301 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.003 -2.022 -4.969 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.090 -0.657 -4.912 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -5.491 1.299 -6.420 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -4.516 0.824 -7.820 1.00 0.00 H +ATOM 93 N TRP A 6 -2.058 -0.514 -1.548 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.698 -0.699 -1.033 1.00 0.00 C +ATOM 95 C TRP A 6 -0.598 -1.819 0.024 1.00 0.00 C +ATOM 96 O TRP A 6 0.351 -2.603 0.007 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.182 0.633 -0.487 1.00 0.00 C +ATOM 98 CG TRP A 6 1.208 0.559 0.054 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.340 0.584 -0.684 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.636 0.399 1.441 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.434 0.426 0.145 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.060 0.338 1.464 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.968 0.306 2.680 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.793 0.231 2.652 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.692 0.176 3.881 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.098 0.160 3.871 1.00 0.00 C +ATOM 107 H TRP A 6 -2.537 0.370 -1.411 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.056 -0.999 -1.865 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.199 1.355 -1.281 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.845 0.977 0.306 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.372 0.691 -1.760 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.406 0.397 -0.171 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.111 0.343 2.699 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.871 0.201 2.617 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.165 0.101 4.820 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.644 0.086 4.800 1.00 0.00 H +ATOM 117 N LEU A 7 -1.583 -1.947 0.921 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.656 -3.076 1.851 1.00 0.00 C +ATOM 119 C LEU A 7 -1.870 -4.413 1.124 1.00 0.00 C +ATOM 120 O LEU A 7 -1.239 -5.396 1.507 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.744 -2.838 2.914 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.336 -1.840 4.014 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.558 -1.525 4.882 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.236 -2.386 4.934 1.00 0.00 C +ATOM 125 H LEU A 7 -2.308 -1.232 0.953 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.691 -3.164 2.348 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.619 -2.459 2.422 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.984 -3.790 3.391 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.981 -0.918 3.559 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.336 -1.072 4.269 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.942 -2.440 5.333 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.281 -0.829 5.675 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.580 -3.296 5.429 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.333 -2.606 4.369 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.987 -1.645 5.691 1.00 0.00 H +ATOM 136 N LYS A 8 -2.686 -4.452 0.056 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.868 -5.634 -0.809 1.00 0.00 C +ATOM 138 C LYS A 8 -1.553 -6.182 -1.385 1.00 0.00 C +ATOM 139 O LYS A 8 -1.446 -7.398 -1.524 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.855 -5.315 -1.947 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.312 -5.718 -1.691 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.595 -7.194 -2.011 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.083 -7.358 -2.351 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.467 -8.781 -2.499 1.00 0.00 N +ATOM 145 H LYS A 8 -3.201 -3.604 -0.166 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.277 -6.443 -0.202 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.830 -4.256 -2.119 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.518 -5.782 -2.874 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.538 -5.544 -0.657 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.933 -5.099 -2.340 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -4.999 -7.501 -2.849 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.322 -7.812 -1.153 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.668 -6.922 -1.564 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.274 -6.823 -3.286 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -6.831 -9.251 -3.130 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.436 -9.244 -1.601 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -8.406 -8.854 -2.869 1.00 0.00 H +ATOM 158 N ASP A 9 -0.560 -5.331 -1.687 1.00 0.00 N +ATOM 159 CA ASP A 9 0.784 -5.780 -2.096 1.00 0.00 C +ATOM 160 C ASP A 9 1.568 -6.488 -0.965 1.00 0.00 C +ATOM 161 O ASP A 9 2.503 -7.234 -1.258 1.00 0.00 O +ATOM 162 CB ASP A 9 1.632 -4.594 -2.600 1.00 0.00 C +ATOM 163 CG ASP A 9 1.231 -4.011 -3.959 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.430 -4.722 -4.969 1.00 0.00 O +ATOM 165 OD2 ASP A 9 0.856 -2.815 -4.003 1.00 0.00 O +ATOM 166 H ASP A 9 -0.747 -4.339 -1.618 1.00 0.00 H +ATOM 167 HA ASP A 9 0.686 -6.498 -2.912 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.563 -3.808 -1.872 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.656 -4.948 -2.713 1.00 0.00 H +ATOM 170 N GLY A 10 1.199 -6.278 0.311 1.00 0.00 N +ATOM 171 CA GLY A 10 1.937 -6.750 1.490 1.00 0.00 C +ATOM 172 C GLY A 10 2.431 -5.639 2.432 1.00 0.00 C +ATOM 173 O GLY A 10 3.200 -5.926 3.352 1.00 0.00 O +ATOM 174 H GLY A 10 0.336 -5.769 0.474 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.286 -7.408 2.066 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.807 -7.329 1.179 1.00 0.00 H +ATOM 177 N GLY A 11 2.031 -4.376 2.219 1.00 0.00 N +ATOM 178 CA GLY A 11 2.470 -3.241 3.034 1.00 0.00 C +ATOM 179 C GLY A 11 4.000 -3.062 3.006 1.00 0.00 C +ATOM 180 O GLY A 11 4.575 -3.113 1.914 1.00 0.00 O +ATOM 181 H GLY A 11 1.469 -4.186 1.397 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.015 -2.334 2.636 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.114 -3.391 4.051 1.00 0.00 H +ATOM 184 N PRO A 12 4.686 -2.853 4.152 1.00 0.00 N +ATOM 185 CA PRO A 12 6.138 -2.627 4.199 1.00 0.00 C +ATOM 186 C PRO A 12 6.979 -3.705 3.499 1.00 0.00 C +ATOM 187 O PRO A 12 8.023 -3.398 2.928 1.00 0.00 O +ATOM 188 CB PRO A 12 6.504 -2.546 5.686 1.00 0.00 C +ATOM 189 CG PRO A 12 5.198 -2.156 6.370 1.00 0.00 C +ATOM 190 CD PRO A 12 4.133 -2.817 5.498 1.00 0.00 C +ATOM 191 HA PRO A 12 6.351 -1.666 3.730 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.853 -3.495 6.045 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.286 -1.807 5.866 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.162 -2.534 7.374 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.079 -1.073 6.340 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.931 -3.812 5.845 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.207 -2.241 5.544 1.00 0.00 H +ATOM 198 N SER A 13 6.508 -4.958 3.493 1.00 0.00 N +ATOM 199 CA SER A 13 7.189 -6.103 2.872 1.00 0.00 C +ATOM 200 C SER A 13 7.058 -6.147 1.336 1.00 0.00 C +ATOM 201 O SER A 13 7.435 -7.142 0.722 1.00 0.00 O +ATOM 202 CB SER A 13 6.693 -7.403 3.522 1.00 0.00 C +ATOM 203 OG SER A 13 7.056 -7.403 4.891 1.00 0.00 O +ATOM 204 H SER A 13 5.629 -5.143 3.955 1.00 0.00 H +ATOM 205 HA SER A 13 8.255 -6.026 3.087 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.625 -7.465 3.433 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.159 -8.260 3.034 1.00 0.00 H +ATOM 208 HG SER A 13 6.918 -8.284 5.253 1.00 0.00 H +ATOM 209 N SER A 14 6.545 -5.077 0.709 1.00 0.00 N +ATOM 210 CA SER A 14 6.283 -4.978 -0.737 1.00 0.00 C +ATOM 211 C SER A 14 7.371 -4.237 -1.526 1.00 0.00 C +ATOM 212 O SER A 14 7.218 -4.034 -2.732 1.00 0.00 O +ATOM 213 CB SER A 14 4.974 -4.222 -0.999 1.00 0.00 C +ATOM 214 OG SER A 14 3.964 -4.544 -0.082 1.00 0.00 O +ATOM 215 H SER A 14 6.237 -4.313 1.299 1.00 0.00 H +ATOM 216 HA SER A 14 6.178 -5.981 -1.151 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.169 -3.169 -0.937 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.638 -4.447 -2.011 1.00 0.00 H +ATOM 219 HG SER A 14 4.139 -4.000 0.726 1.00 0.00 H +ATOM 220 N GLY A 15 8.414 -3.725 -0.859 1.00 0.00 N +ATOM 221 CA GLY A 15 9.471 -2.894 -1.454 1.00 0.00 C +ATOM 222 C GLY A 15 9.041 -1.455 -1.795 1.00 0.00 C +ATOM 223 O GLY A 15 9.819 -0.525 -1.599 1.00 0.00 O +ATOM 224 H GLY A 15 8.450 -3.903 0.136 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.311 -2.842 -0.764 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.822 -3.367 -2.372 1.00 0.00 H +ATOM 227 N ARG A 16 7.814 -1.262 -2.297 1.00 0.00 N +ATOM 228 CA ARG A 16 7.226 0.051 -2.611 1.00 0.00 C +ATOM 229 C ARG A 16 6.816 0.830 -1.338 1.00 0.00 C +ATOM 230 O ARG A 16 6.195 0.243 -0.447 1.00 0.00 O +ATOM 231 CB ARG A 16 6.050 -0.120 -3.595 1.00 0.00 C +ATOM 232 CG ARG A 16 4.880 -0.960 -3.052 1.00 0.00 C +ATOM 233 CD ARG A 16 3.737 -1.115 -4.058 1.00 0.00 C +ATOM 234 NE ARG A 16 4.012 -2.181 -5.038 1.00 0.00 N +ATOM 235 CZ ARG A 16 3.322 -2.423 -6.147 1.00 0.00 C +ATOM 236 NH1 ARG A 16 2.338 -1.649 -6.533 1.00 0.00 N +ATOM 237 NH2 ARG A 16 3.618 -3.461 -6.892 1.00 0.00 N +ATOM 238 H ARG A 16 7.281 -2.107 -2.474 1.00 0.00 H +ATOM 239 HA ARG A 16 8.002 0.620 -3.123 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.676 0.855 -3.843 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.426 -0.587 -4.506 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.248 -1.936 -2.800 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.474 -0.469 -2.174 1.00 0.00 H +ATOM 244 HD2 ARG A 16 2.836 -1.356 -3.526 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.570 -0.162 -4.563 1.00 0.00 H +ATOM 246 HE ARG A 16 4.727 -2.848 -4.801 1.00 0.00 H +ATOM 247 HH11 ARG A 16 1.964 -1.052 -5.816 1.00 0.00 H +ATOM 248 HH12 ARG A 16 1.772 -1.893 -7.322 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.226 -4.165 -6.517 1.00 0.00 H +ATOM 250 HH22 ARG A 16 3.002 -3.699 -7.645 1.00 0.00 H +ATOM 251 N PRO A 17 7.097 2.147 -1.240 1.00 0.00 N +ATOM 252 CA PRO A 17 6.733 2.965 -0.077 1.00 0.00 C +ATOM 253 C PRO A 17 5.211 3.205 0.012 1.00 0.00 C +ATOM 254 O PRO A 17 4.514 3.057 -0.995 1.00 0.00 O +ATOM 255 CB PRO A 17 7.499 4.279 -0.266 1.00 0.00 C +ATOM 256 CG PRO A 17 7.601 4.413 -1.783 1.00 0.00 C +ATOM 257 CD PRO A 17 7.764 2.966 -2.245 1.00 0.00 C +ATOM 258 HA PRO A 17 7.073 2.472 0.834 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.958 5.103 0.157 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.500 4.183 0.158 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.711 4.851 -2.192 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.451 5.031 -2.080 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.305 2.827 -3.205 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.823 2.707 -2.277 1.00 0.00 H +ATOM 265 N PRO A 18 4.682 3.595 1.190 1.00 0.00 N +ATOM 266 CA PRO A 18 3.257 3.860 1.368 1.00 0.00 C +ATOM 267 C PRO A 18 2.815 5.129 0.616 1.00 0.00 C +ATOM 268 O PRO A 18 3.586 6.086 0.526 1.00 0.00 O +ATOM 269 CB PRO A 18 3.049 4.007 2.879 1.00 0.00 C +ATOM 270 CG PRO A 18 4.407 4.496 3.377 1.00 0.00 C +ATOM 271 CD PRO A 18 5.393 3.792 2.447 1.00 0.00 C +ATOM 272 HA PRO A 18 2.691 3.004 1.010 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.280 4.725 3.093 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.830 3.031 3.313 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.488 5.562 3.288 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.575 4.231 4.423 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.262 4.402 2.293 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.666 2.823 2.864 1.00 0.00 H +ATOM 279 N PRO A 19 1.564 5.179 0.116 1.00 0.00 N +ATOM 280 CA PRO A 19 1.048 6.326 -0.630 1.00 0.00 C +ATOM 281 C PRO A 19 0.603 7.495 0.262 1.00 0.00 C +ATOM 282 O PRO A 19 0.510 8.619 -0.227 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.136 5.763 -1.415 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.683 4.666 -0.501 1.00 0.00 C +ATOM 285 CD PRO A 19 0.585 4.100 0.134 1.00 0.00 C +ATOM 286 HA PRO A 19 1.801 6.695 -1.328 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.875 6.521 -1.589 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.239 5.311 -2.333 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.340 5.073 0.243 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.221 3.904 -1.064 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.390 3.791 1.143 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.959 3.279 -0.477 1.00 0.00 H +ATOM 293 N SER A 20 0.367 7.228 1.556 1.00 0.00 N +ATOM 294 CA SER A 20 -0.233 8.139 2.544 1.00 0.00 C +ATOM 295 C SER A 20 -1.656 8.585 2.160 1.00 0.00 C +ATOM 296 O SER A 20 -2.384 7.708 1.628 1.00 0.00 O +ATOM 297 CB SER A 20 0.737 9.297 2.810 1.00 0.00 C +ATOM 298 OG SER A 20 0.750 9.605 4.190 1.00 0.00 O +ATOM 299 OXT SER A 20 -2.026 9.739 2.451 1.00 0.00 O +ATOM 300 H SER A 20 0.453 6.262 1.817 1.00 0.00 H +ATOM 301 HA SER A 20 -0.350 7.592 3.476 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.724 9.013 2.499 1.00 0.00 H +ATOM 303 HB3 SER A 20 0.448 10.165 2.214 1.00 0.00 H +ATOM 304 HG SER A 20 0.692 10.559 4.282 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 7 +ATOM 1 N ASN A 1 -8.903 5.528 -0.196 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.549 5.998 -0.581 1.00 0.00 C +ATOM 3 C ASN A 1 -6.760 4.831 -1.189 1.00 0.00 C +ATOM 4 O ASN A 1 -7.247 3.705 -1.144 1.00 0.00 O +ATOM 5 CB ASN A 1 -6.831 6.647 0.620 1.00 0.00 C +ATOM 6 CG ASN A 1 -5.684 7.538 0.154 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -4.583 7.063 -0.078 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -5.924 8.815 -0.078 1.00 0.00 N +ATOM 9 H1 ASN A 1 -9.364 5.129 -1.005 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.821 4.800 0.502 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.457 6.290 0.168 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.661 6.757 -1.358 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -7.535 7.240 1.171 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -6.437 5.876 1.282 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -6.803 9.269 0.111 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -5.123 9.345 -0.388 1.00 0.00 H +ATOM 17 N LEU A 2 -5.566 5.065 -1.745 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.705 4.017 -2.308 1.00 0.00 C +ATOM 19 C LEU A 2 -4.063 3.108 -1.244 1.00 0.00 C +ATOM 20 O LEU A 2 -3.570 2.036 -1.587 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.636 4.665 -3.218 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.984 4.537 -4.715 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.137 5.490 -5.557 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.737 3.110 -5.216 1.00 0.00 C +ATOM 25 H LEU A 2 -5.153 5.991 -1.653 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.332 3.363 -2.913 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.557 5.706 -2.970 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.666 4.195 -3.051 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.035 4.787 -4.864 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -3.377 6.522 -5.297 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.077 5.308 -5.382 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.356 5.339 -6.615 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.687 2.842 -5.096 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -4.350 2.412 -4.658 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.007 3.032 -6.270 1.00 0.00 H +ATOM 36 N TYR A 3 -4.102 3.487 0.042 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.503 2.730 1.149 1.00 0.00 C +ATOM 38 C TYR A 3 -3.977 1.265 1.216 1.00 0.00 C +ATOM 39 O TYR A 3 -3.168 0.369 1.448 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.768 3.466 2.474 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.672 3.279 3.509 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.536 2.057 4.196 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.783 4.339 3.784 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.523 1.895 5.162 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.765 4.177 4.741 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.640 2.961 5.441 1.00 0.00 C +ATOM 47 OH TYR A 3 0.309 2.837 6.407 1.00 0.00 O +ATOM 48 H TYR A 3 -4.453 4.414 0.232 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.424 2.713 0.990 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.861 4.514 2.266 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.720 3.136 2.894 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.211 1.241 3.988 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.890 5.287 3.275 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.418 0.959 5.689 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.083 4.982 4.975 1.00 0.00 H +ATOM 56 HH TYR A 3 0.037 2.243 7.107 1.00 0.00 H +ATOM 57 N ILE A 4 -5.269 1.004 0.959 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.833 -0.356 0.888 1.00 0.00 C +ATOM 59 C ILE A 4 -5.161 -1.164 -0.238 1.00 0.00 C +ATOM 60 O ILE A 4 -4.772 -2.318 -0.049 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.371 -0.313 0.696 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.110 0.552 1.752 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.954 -1.737 0.753 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.509 1.938 1.232 1.00 0.00 C +ATOM 65 H ILE A 4 -5.872 1.790 0.762 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.619 -0.864 1.831 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.587 0.085 -0.297 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.999 0.033 2.055 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.496 0.664 2.647 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.517 -2.368 -0.021 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.761 -2.183 1.729 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.031 -1.704 0.581 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.626 2.563 1.121 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.024 1.846 0.274 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.188 2.410 1.945 1.00 0.00 H +ATOM 76 N GLN A 5 -5.003 -0.544 -1.411 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.375 -1.125 -2.597 1.00 0.00 C +ATOM 78 C GLN A 5 -2.869 -1.353 -2.405 1.00 0.00 C +ATOM 79 O GLN A 5 -2.354 -2.357 -2.886 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.661 -0.216 -3.809 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.379 -0.927 -4.966 1.00 0.00 C +ATOM 82 CD GLN A 5 -4.417 -1.485 -6.011 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.226 -0.906 -7.068 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -3.781 -2.614 -5.772 1.00 0.00 N +ATOM 85 H GLN A 5 -5.256 0.433 -1.455 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.826 -2.102 -2.768 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.275 0.600 -3.481 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.731 0.222 -4.174 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.955 -1.738 -4.564 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.017 -0.197 -5.466 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -3.799 -3.091 -4.886 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -3.166 -2.885 -6.520 1.00 0.00 H +ATOM 93 N TRP A 6 -2.181 -0.471 -1.666 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.803 -0.688 -1.216 1.00 0.00 C +ATOM 95 C TRP A 6 -0.702 -1.871 -0.236 1.00 0.00 C +ATOM 96 O TRP A 6 0.137 -2.753 -0.420 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.253 0.612 -0.609 1.00 0.00 C +ATOM 98 CG TRP A 6 1.148 0.524 -0.079 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.275 0.502 -0.828 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.590 0.428 1.311 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.377 0.391 0.000 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.013 0.346 1.324 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.937 0.410 2.563 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.756 0.265 2.509 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.672 0.321 3.762 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.077 0.254 3.738 1.00 0.00 C +ATOM 107 H TRP A 6 -2.666 0.378 -1.389 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.189 -0.942 -2.080 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.274 1.369 -1.369 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.902 0.932 0.205 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.303 0.552 -1.909 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.354 0.366 -0.301 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.141 0.482 2.594 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.833 0.212 2.461 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.154 0.320 4.711 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.633 0.202 4.663 1.00 0.00 H +ATOM 117 N LEU A 7 -1.584 -1.939 0.773 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.618 -3.061 1.719 1.00 0.00 C +ATOM 119 C LEU A 7 -1.896 -4.418 1.055 1.00 0.00 C +ATOM 120 O LEU A 7 -1.383 -5.420 1.551 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.638 -2.803 2.843 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.158 -1.828 3.935 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.332 -1.509 4.865 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.029 -2.411 4.793 1.00 0.00 C +ATOM 125 H LEU A 7 -2.238 -1.169 0.902 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.625 -3.152 2.159 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.528 -2.398 2.401 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.875 -3.753 3.326 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.813 -0.903 3.475 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.138 -1.046 4.295 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.701 -2.424 5.328 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.014 -0.822 5.647 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.366 -3.322 5.290 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.162 -2.644 4.181 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.726 -1.685 5.547 1.00 0.00 H +ATOM 136 N LYS A 8 -2.649 -4.469 -0.060 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.926 -5.712 -0.805 1.00 0.00 C +ATOM 138 C LYS A 8 -1.673 -6.493 -1.213 1.00 0.00 C +ATOM 139 O LYS A 8 -1.747 -7.718 -1.261 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.745 -5.435 -2.077 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.245 -5.187 -1.834 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.112 -6.160 -2.652 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.013 -7.607 -2.144 1.00 0.00 C +ATOM 144 NZ LYS A 8 -6.775 -7.803 -0.889 1.00 0.00 N +ATOM 145 H LYS A 8 -3.091 -3.603 -0.351 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.486 -6.385 -0.157 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.336 -4.566 -2.556 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.629 -6.287 -2.748 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.457 -5.322 -0.791 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.483 -4.171 -2.145 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -7.135 -5.843 -2.591 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.787 -6.129 -3.694 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.405 -8.266 -2.895 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -4.957 -7.857 -1.989 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -6.431 -7.175 -0.174 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.755 -7.610 -1.046 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -6.676 -8.755 -0.564 1.00 0.00 H +ATOM 158 N ASP A 9 -0.575 -5.806 -1.542 1.00 0.00 N +ATOM 159 CA ASP A 9 0.679 -6.439 -1.960 1.00 0.00 C +ATOM 160 C ASP A 9 1.407 -7.073 -0.759 1.00 0.00 C +ATOM 161 O ASP A 9 1.771 -8.246 -0.798 1.00 0.00 O +ATOM 162 CB ASP A 9 1.529 -5.384 -2.684 1.00 0.00 C +ATOM 163 CG ASP A 9 2.629 -6.016 -3.539 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.661 -6.415 -2.960 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.415 -6.083 -4.770 1.00 0.00 O +ATOM 166 H ASP A 9 -0.608 -4.796 -1.483 1.00 0.00 H +ATOM 167 HA ASP A 9 0.451 -7.236 -2.670 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.890 -4.801 -3.319 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.960 -4.694 -1.962 1.00 0.00 H +ATOM 170 N GLY A 10 1.538 -6.316 0.338 1.00 0.00 N +ATOM 171 CA GLY A 10 2.154 -6.771 1.590 1.00 0.00 C +ATOM 172 C GLY A 10 2.656 -5.655 2.516 1.00 0.00 C +ATOM 173 O GLY A 10 3.600 -5.875 3.278 1.00 0.00 O +ATOM 174 H GLY A 10 1.219 -5.364 0.236 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.421 -7.360 2.140 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.998 -7.420 1.354 1.00 0.00 H +ATOM 177 N GLY A 11 2.069 -4.451 2.456 1.00 0.00 N +ATOM 178 CA GLY A 11 2.511 -3.295 3.240 1.00 0.00 C +ATOM 179 C GLY A 11 4.009 -2.997 3.049 1.00 0.00 C +ATOM 180 O GLY A 11 4.473 -2.994 1.904 1.00 0.00 O +ATOM 181 H GLY A 11 1.299 -4.330 1.814 1.00 0.00 H +ATOM 182 HA2 GLY A 11 1.950 -2.415 2.922 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.285 -3.490 4.287 1.00 0.00 H +ATOM 184 N PRO A 12 4.798 -2.757 4.119 1.00 0.00 N +ATOM 185 CA PRO A 12 6.237 -2.490 4.008 1.00 0.00 C +ATOM 186 C PRO A 12 7.033 -3.579 3.271 1.00 0.00 C +ATOM 187 O PRO A 12 8.035 -3.275 2.626 1.00 0.00 O +ATOM 188 CB PRO A 12 6.745 -2.333 5.447 1.00 0.00 C +ATOM 189 CG PRO A 12 5.496 -1.973 6.248 1.00 0.00 C +ATOM 190 CD PRO A 12 4.382 -2.715 5.512 1.00 0.00 C +ATOM 191 HA PRO A 12 6.371 -1.546 3.479 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.173 -3.251 5.802 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.505 -1.553 5.517 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.579 -2.312 7.263 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.320 -0.898 6.189 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.273 -3.709 5.901 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.437 -2.188 5.641 1.00 0.00 H +ATOM 198 N SER A 13 6.580 -4.841 3.318 1.00 0.00 N +ATOM 199 CA SER A 13 7.226 -5.980 2.655 1.00 0.00 C +ATOM 200 C SER A 13 6.995 -6.022 1.132 1.00 0.00 C +ATOM 201 O SER A 13 7.473 -6.945 0.480 1.00 0.00 O +ATOM 202 CB SER A 13 6.775 -7.286 3.323 1.00 0.00 C +ATOM 203 OG SER A 13 7.214 -7.315 4.671 1.00 0.00 O +ATOM 204 H SER A 13 5.719 -5.035 3.818 1.00 0.00 H +ATOM 205 HA SER A 13 8.303 -5.894 2.797 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.704 -7.348 3.296 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.200 -8.143 2.797 1.00 0.00 H +ATOM 208 HG SER A 13 8.172 -7.390 4.683 1.00 0.00 H +ATOM 209 N SER A 14 6.312 -5.020 0.559 1.00 0.00 N +ATOM 210 CA SER A 14 6.003 -4.909 -0.880 1.00 0.00 C +ATOM 211 C SER A 14 7.153 -4.342 -1.729 1.00 0.00 C +ATOM 212 O SER A 14 7.036 -4.271 -2.950 1.00 0.00 O +ATOM 213 CB SER A 14 4.797 -3.981 -1.103 1.00 0.00 C +ATOM 214 OG SER A 14 3.761 -4.194 -0.169 1.00 0.00 O +ATOM 215 H SER A 14 5.943 -4.308 1.175 1.00 0.00 H +ATOM 216 HA SER A 14 5.743 -5.896 -1.266 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.128 -2.964 -1.021 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.414 -4.137 -2.112 1.00 0.00 H +ATOM 219 HG SER A 14 4.006 -3.709 0.659 1.00 0.00 H +ATOM 220 N GLY A 15 8.240 -3.857 -1.110 1.00 0.00 N +ATOM 221 CA GLY A 15 9.347 -3.207 -1.825 1.00 0.00 C +ATOM 222 C GLY A 15 9.072 -1.761 -2.273 1.00 0.00 C +ATOM 223 O GLY A 15 9.838 -1.222 -3.067 1.00 0.00 O +ATOM 224 H GLY A 15 8.290 -3.959 -0.106 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.231 -3.198 -1.187 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.588 -3.789 -2.715 1.00 0.00 H +ATOM 227 N ARG A 16 7.994 -1.127 -1.781 1.00 0.00 N +ATOM 228 CA ARG A 16 7.572 0.231 -2.153 1.00 0.00 C +ATOM 229 C ARG A 16 6.983 0.981 -0.944 1.00 0.00 C +ATOM 230 O ARG A 16 6.181 0.382 -0.224 1.00 0.00 O +ATOM 231 CB ARG A 16 6.533 0.117 -3.285 1.00 0.00 C +ATOM 232 CG ARG A 16 6.200 1.481 -3.901 1.00 0.00 C +ATOM 233 CD ARG A 16 5.147 1.363 -5.008 1.00 0.00 C +ATOM 234 NE ARG A 16 5.045 2.615 -5.780 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.495 3.765 -5.404 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.939 3.937 -4.225 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.510 4.784 -6.232 1.00 0.00 N +ATOM 238 H ARG A 16 7.425 -1.634 -1.117 1.00 0.00 H +ATOM 239 HA ARG A 16 8.445 0.765 -2.527 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.925 -0.523 -4.052 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.621 -0.343 -2.899 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.824 2.127 -3.131 1.00 0.00 H +ATOM 243 HG3 ARG A 16 7.111 1.904 -4.324 1.00 0.00 H +ATOM 244 HD2 ARG A 16 5.422 0.565 -5.670 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.180 1.105 -4.573 1.00 0.00 H +ATOM 246 HE ARG A 16 5.452 2.594 -6.699 1.00 0.00 H +ATOM 247 HH11 ARG A 16 3.987 3.199 -3.541 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.537 4.819 -3.965 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.943 4.701 -7.136 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.103 5.659 -5.956 1.00 0.00 H +ATOM 251 N PRO A 17 7.298 2.279 -0.734 1.00 0.00 N +ATOM 252 CA PRO A 17 6.723 3.073 0.357 1.00 0.00 C +ATOM 253 C PRO A 17 5.203 3.301 0.202 1.00 0.00 C +ATOM 254 O PRO A 17 4.670 3.166 -0.908 1.00 0.00 O +ATOM 255 CB PRO A 17 7.497 4.399 0.343 1.00 0.00 C +ATOM 256 CG PRO A 17 7.943 4.539 -1.109 1.00 0.00 C +ATOM 257 CD PRO A 17 8.231 3.093 -1.505 1.00 0.00 C +ATOM 258 HA PRO A 17 6.912 2.560 1.300 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.863 5.216 0.629 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.374 4.317 0.985 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.164 4.960 -1.715 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.827 5.172 -1.206 1.00 0.00 H +ATOM 263 HD2 PRO A 17 8.069 2.954 -2.556 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.253 2.834 -1.225 1.00 0.00 H +ATOM 265 N PRO A 18 4.505 3.662 1.301 1.00 0.00 N +ATOM 266 CA PRO A 18 3.065 3.925 1.293 1.00 0.00 C +ATOM 267 C PRO A 18 2.700 5.218 0.535 1.00 0.00 C +ATOM 268 O PRO A 18 3.563 6.066 0.303 1.00 0.00 O +ATOM 269 CB PRO A 18 2.661 4.003 2.774 1.00 0.00 C +ATOM 270 CG PRO A 18 3.933 4.476 3.472 1.00 0.00 C +ATOM 271 CD PRO A 18 5.039 3.819 2.649 1.00 0.00 C +ATOM 272 HA PRO A 18 2.557 3.083 0.827 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.863 4.706 2.916 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.402 3.008 3.132 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.014 5.546 3.443 1.00 0.00 H +ATOM 276 HG3 PRO A 18 3.962 4.161 4.516 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.912 4.443 2.633 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.271 2.838 3.065 1.00 0.00 H +ATOM 279 N PRO A 19 1.420 5.389 0.147 1.00 0.00 N +ATOM 280 CA PRO A 19 0.934 6.590 -0.541 1.00 0.00 C +ATOM 281 C PRO A 19 0.630 7.773 0.396 1.00 0.00 C +ATOM 282 O PRO A 19 0.546 8.904 -0.075 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.347 6.136 -1.247 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.893 5.051 -0.317 1.00 0.00 C +ATOM 285 CD PRO A 19 0.371 4.378 0.209 1.00 0.00 C +ATOM 286 HA PRO A 19 1.659 6.921 -1.282 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.043 6.948 -1.342 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.093 5.696 -2.212 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.462 5.481 0.484 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.521 4.344 -0.854 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.226 4.052 1.221 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.641 3.547 -0.443 1.00 0.00 H +ATOM 293 N SER A 20 0.436 7.512 1.697 1.00 0.00 N +ATOM 294 CA SER A 20 0.332 8.504 2.776 1.00 0.00 C +ATOM 295 C SER A 20 1.687 8.700 3.451 1.00 0.00 C +ATOM 296 O SER A 20 2.070 9.878 3.606 1.00 0.00 O +ATOM 297 CB SER A 20 -0.673 8.043 3.830 1.00 0.00 C +ATOM 298 OG SER A 20 -1.935 7.948 3.212 1.00 0.00 O +ATOM 299 OXT SER A 20 2.277 7.664 3.828 1.00 0.00 O +ATOM 300 H SER A 20 0.578 6.559 1.993 1.00 0.00 H +ATOM 301 HA SER A 20 0.032 9.475 2.381 1.00 0.00 H +ATOM 302 HB2 SER A 20 -0.383 7.085 4.216 1.00 0.00 H +ATOM 303 HB3 SER A 20 -0.705 8.762 4.652 1.00 0.00 H +ATOM 304 HG SER A 20 -1.800 8.230 2.302 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 8 +ATOM 1 N ASN A 1 -8.769 4.941 0.058 1.00 0.00 N +ATOM 2 CA ASN A 1 -8.628 3.743 -0.810 1.00 0.00 C +ATOM 3 C ASN A 1 -7.194 3.417 -1.223 1.00 0.00 C +ATOM 4 O ASN A 1 -6.825 2.255 -1.104 1.00 0.00 O +ATOM 5 CB ASN A 1 -9.576 3.798 -2.012 1.00 0.00 C +ATOM 6 CG ASN A 1 -10.980 3.563 -1.485 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -11.581 4.475 -0.943 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -11.465 2.335 -1.495 1.00 0.00 N +ATOM 9 H1 ASN A 1 -8.177 4.864 0.873 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.539 5.782 -0.450 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.736 5.016 0.359 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.940 2.881 -0.218 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -9.516 4.760 -2.484 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -9.322 3.021 -2.735 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -10.980 1.548 -1.895 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -12.387 2.236 -1.101 1.00 0.00 H +ATOM 17 N LEU A 2 -6.386 4.385 -1.677 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.979 4.182 -2.071 1.00 0.00 C +ATOM 19 C LEU A 2 -4.170 3.301 -1.091 1.00 0.00 C +ATOM 20 O LEU A 2 -3.510 2.351 -1.513 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.298 5.547 -2.330 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.562 6.652 -1.277 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.311 7.480 -1.001 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -5.661 7.624 -1.728 1.00 0.00 C +ATOM 25 H LEU A 2 -6.742 5.314 -1.830 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.973 3.640 -3.018 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.239 5.382 -2.373 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -4.613 5.914 -3.308 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.870 6.194 -0.336 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -2.556 6.855 -0.534 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.907 7.891 -1.928 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.544 8.302 -0.323 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -5.277 8.270 -2.519 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -6.532 7.099 -2.108 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -5.957 8.251 -0.887 1.00 0.00 H +ATOM 36 N TYR A 3 -4.272 3.566 0.214 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.591 2.791 1.257 1.00 0.00 C +ATOM 38 C TYR A 3 -4.035 1.316 1.320 1.00 0.00 C +ATOM 39 O TYR A 3 -3.216 0.439 1.587 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.809 3.489 2.607 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.680 3.265 3.592 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.635 2.094 4.373 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.676 4.243 3.732 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.601 1.916 5.312 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.650 4.078 4.679 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.618 2.916 5.478 1.00 0.00 C +ATOM 47 OH TYR A 3 0.344 2.765 6.428 1.00 0.00 O +ATOM 48 H TYR A 3 -4.793 4.381 0.493 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.522 2.805 1.039 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.904 4.544 2.433 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.748 3.153 3.047 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.397 1.337 4.260 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.691 5.139 3.130 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.558 1.031 5.929 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.099 4.851 4.791 1.00 0.00 H +ATOM 56 HH TYR A 3 0.794 3.595 6.593 1.00 0.00 H +ATOM 57 N ILE A 4 -5.312 1.025 1.029 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.855 -0.341 0.979 1.00 0.00 C +ATOM 59 C ILE A 4 -5.188 -1.123 -0.163 1.00 0.00 C +ATOM 60 O ILE A 4 -4.740 -2.254 0.031 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.398 -0.328 0.820 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.143 0.621 1.794 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.976 -1.749 0.938 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -7.792 0.462 3.281 1.00 0.00 C +ATOM 65 H ILE A 4 -5.901 1.775 0.693 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.609 -0.846 1.915 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.635 0.015 -0.186 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -7.917 1.630 1.508 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -9.215 0.465 1.676 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.579 -2.387 0.147 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.724 -2.190 1.903 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.062 -1.721 0.834 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.711 -0.590 3.551 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -6.848 0.965 3.496 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.578 0.918 3.885 1.00 0.00 H +ATOM 76 N GLN A 5 -5.075 -0.498 -1.343 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.362 -1.071 -2.489 1.00 0.00 C +ATOM 78 C GLN A 5 -2.867 -1.283 -2.198 1.00 0.00 C +ATOM 79 O GLN A 5 -2.320 -2.311 -2.590 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.555 -0.198 -3.737 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.995 -0.248 -4.266 1.00 0.00 C +ATOM 82 CD GLN A 5 -6.126 0.517 -5.579 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.978 -0.031 -6.658 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.401 1.806 -5.540 1.00 0.00 N +ATOM 85 H GLN A 5 -5.445 0.441 -1.413 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.782 -2.057 -2.696 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.314 0.818 -3.488 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.891 -0.565 -4.522 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -6.273 -1.272 -4.428 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.680 0.175 -3.530 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -6.520 2.309 -4.682 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -6.457 2.229 -6.452 1.00 0.00 H +ATOM 93 N TRP A 6 -2.207 -0.362 -1.483 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.824 -0.567 -1.033 1.00 0.00 C +ATOM 95 C TRP A 6 -0.685 -1.753 -0.064 1.00 0.00 C +ATOM 96 O TRP A 6 0.203 -2.588 -0.244 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.276 0.722 -0.418 1.00 0.00 C +ATOM 98 CG TRP A 6 1.118 0.612 0.126 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.254 0.594 -0.609 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.544 0.501 1.519 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.347 0.461 0.227 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.967 0.413 1.548 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.878 0.488 2.764 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.697 0.331 2.741 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.600 0.402 3.971 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.004 0.331 3.961 1.00 0.00 C +ATOM 107 H TRP A 6 -2.689 0.503 -1.249 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.214 -0.807 -1.905 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.281 1.482 -1.175 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.933 1.043 0.389 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.293 0.681 -1.686 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.326 0.458 -0.069 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.200 0.564 2.787 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.776 0.281 2.705 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.071 0.411 4.914 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.548 0.291 4.893 1.00 0.00 H +ATOM 117 N LEU A 7 -1.580 -1.874 0.927 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.599 -3.031 1.829 1.00 0.00 C +ATOM 119 C LEU A 7 -1.786 -4.356 1.073 1.00 0.00 C +ATOM 120 O LEU A 7 -1.124 -5.333 1.422 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.674 -2.852 2.916 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.324 -1.798 3.986 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.552 -1.544 4.867 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.168 -2.243 4.890 1.00 0.00 C +ATOM 125 H LEU A 7 -2.270 -1.136 1.054 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.625 -3.099 2.308 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.588 -2.556 2.439 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.827 -3.808 3.419 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.045 -0.863 3.506 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.374 -1.176 4.252 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.856 -2.467 5.361 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.318 -0.796 5.624 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.414 -3.187 5.378 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.257 -2.363 4.309 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.985 -1.485 5.652 1.00 0.00 H +ATOM 136 N LYS A 8 -2.609 -4.385 0.009 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.835 -5.565 -0.847 1.00 0.00 C +ATOM 138 C LYS A 8 -1.558 -6.137 -1.482 1.00 0.00 C +ATOM 139 O LYS A 8 -1.510 -7.335 -1.746 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.872 -5.210 -1.927 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.472 -6.419 -2.672 1.00 0.00 C +ATOM 142 CD LYS A 8 -3.967 -6.562 -4.118 1.00 0.00 C +ATOM 143 CE LYS A 8 -4.912 -7.488 -4.895 1.00 0.00 C +ATOM 144 NZ LYS A 8 -4.381 -7.814 -6.240 1.00 0.00 N +ATOM 145 H LYS A 8 -3.146 -3.541 -0.174 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.247 -6.357 -0.218 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.675 -4.677 -1.456 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.417 -4.531 -2.647 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.216 -7.311 -2.133 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.554 -6.284 -2.697 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -3.944 -5.597 -4.587 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -2.954 -6.968 -4.111 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -5.039 -8.398 -4.342 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -5.879 -6.986 -4.990 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -4.156 -6.967 -6.745 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -3.540 -8.372 -6.153 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -5.066 -8.339 -6.770 1.00 0.00 H +ATOM 158 N ASP A 9 -0.531 -5.310 -1.709 1.00 0.00 N +ATOM 159 CA ASP A 9 0.782 -5.753 -2.199 1.00 0.00 C +ATOM 160 C ASP A 9 1.608 -6.478 -1.111 1.00 0.00 C +ATOM 161 O ASP A 9 2.514 -7.238 -1.445 1.00 0.00 O +ATOM 162 CB ASP A 9 1.552 -4.536 -2.756 1.00 0.00 C +ATOM 163 CG ASP A 9 2.243 -4.819 -4.098 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.520 -4.894 -5.114 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.496 -4.834 -4.151 1.00 0.00 O +ATOM 166 H ASP A 9 -0.652 -4.327 -1.493 1.00 0.00 H +ATOM 167 HA ASP A 9 0.624 -6.460 -3.016 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.860 -3.728 -2.893 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.281 -4.194 -2.021 1.00 0.00 H +ATOM 170 N GLY A 10 1.277 -6.270 0.176 1.00 0.00 N +ATOM 171 CA GLY A 10 2.025 -6.755 1.345 1.00 0.00 C +ATOM 172 C GLY A 10 2.511 -5.652 2.302 1.00 0.00 C +ATOM 173 O GLY A 10 3.330 -5.927 3.184 1.00 0.00 O +ATOM 174 H GLY A 10 0.421 -5.751 0.355 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.382 -7.428 1.912 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.898 -7.318 1.016 1.00 0.00 H +ATOM 177 N GLY A 11 2.061 -4.397 2.131 1.00 0.00 N +ATOM 178 CA GLY A 11 2.503 -3.261 2.946 1.00 0.00 C +ATOM 179 C GLY A 11 4.031 -3.074 2.887 1.00 0.00 C +ATOM 180 O GLY A 11 4.595 -3.162 1.791 1.00 0.00 O +ATOM 181 H GLY A 11 1.442 -4.219 1.351 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.030 -2.351 2.579 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.173 -3.433 3.969 1.00 0.00 H +ATOM 184 N PRO A 12 4.729 -2.844 4.022 1.00 0.00 N +ATOM 185 CA PRO A 12 6.186 -2.657 4.057 1.00 0.00 C +ATOM 186 C PRO A 12 7.000 -3.804 3.440 1.00 0.00 C +ATOM 187 O PRO A 12 8.098 -3.571 2.938 1.00 0.00 O +ATOM 188 CB PRO A 12 6.560 -2.503 5.537 1.00 0.00 C +ATOM 189 CG PRO A 12 5.258 -2.091 6.219 1.00 0.00 C +ATOM 190 CD PRO A 12 4.187 -2.773 5.373 1.00 0.00 C +ATOM 191 HA PRO A 12 6.428 -1.733 3.531 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.920 -3.432 5.936 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.339 -1.752 5.678 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.228 -2.441 7.233 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.143 -1.008 6.161 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.987 -3.759 5.747 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.262 -2.198 5.412 1.00 0.00 H +ATOM 198 N SER A 13 6.470 -5.035 3.441 1.00 0.00 N +ATOM 199 CA SER A 13 7.162 -6.235 2.936 1.00 0.00 C +ATOM 200 C SER A 13 7.153 -6.352 1.402 1.00 0.00 C +ATOM 201 O SER A 13 7.495 -7.398 0.861 1.00 0.00 O +ATOM 202 CB SER A 13 6.574 -7.490 3.595 1.00 0.00 C +ATOM 203 OG SER A 13 6.813 -7.451 4.988 1.00 0.00 O +ATOM 204 H SER A 13 5.505 -5.137 3.737 1.00 0.00 H +ATOM 205 HA SER A 13 8.211 -6.179 3.232 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.517 -7.526 3.415 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.054 -8.380 3.187 1.00 0.00 H +ATOM 208 HG SER A 13 6.443 -6.640 5.343 1.00 0.00 H +ATOM 209 N SER A 14 6.767 -5.279 0.701 1.00 0.00 N +ATOM 210 CA SER A 14 6.504 -5.245 -0.744 1.00 0.00 C +ATOM 211 C SER A 14 7.583 -4.513 -1.556 1.00 0.00 C +ATOM 212 O SER A 14 7.477 -4.434 -2.776 1.00 0.00 O +ATOM 213 CB SER A 14 5.171 -4.534 -0.999 1.00 0.00 C +ATOM 214 OG SER A 14 4.177 -4.877 -0.070 1.00 0.00 O +ATOM 215 H SER A 14 6.484 -4.475 1.245 1.00 0.00 H +ATOM 216 HA SER A 14 6.420 -6.264 -1.123 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.334 -3.475 -0.949 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.831 -4.746 -2.011 1.00 0.00 H +ATOM 219 HG SER A 14 4.259 -4.235 0.675 1.00 0.00 H +ATOM 220 N GLY A 15 8.589 -3.916 -0.899 1.00 0.00 N +ATOM 221 CA GLY A 15 9.628 -3.120 -1.568 1.00 0.00 C +ATOM 222 C GLY A 15 9.147 -1.769 -2.127 1.00 0.00 C +ATOM 223 O GLY A 15 9.811 -1.210 -2.995 1.00 0.00 O +ATOM 224 H GLY A 15 8.637 -4.053 0.102 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.434 -2.923 -0.862 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.042 -3.698 -2.394 1.00 0.00 H +ATOM 227 N ARG A 16 8.006 -1.245 -1.647 1.00 0.00 N +ATOM 228 CA ARG A 16 7.372 -0.003 -2.121 1.00 0.00 C +ATOM 229 C ARG A 16 6.899 0.883 -0.950 1.00 0.00 C +ATOM 230 O ARG A 16 6.250 0.369 -0.033 1.00 0.00 O +ATOM 231 CB ARG A 16 6.209 -0.320 -3.084 1.00 0.00 C +ATOM 232 CG ARG A 16 5.215 -1.352 -2.526 1.00 0.00 C +ATOM 233 CD ARG A 16 3.904 -1.443 -3.304 1.00 0.00 C +ATOM 234 NE ARG A 16 4.061 -2.274 -4.499 1.00 0.00 N +ATOM 235 CZ ARG A 16 3.904 -1.985 -5.776 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.635 -0.767 -6.189 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.003 -2.954 -6.651 1.00 0.00 N +ATOM 238 H ARG A 16 7.548 -1.757 -0.908 1.00 0.00 H +ATOM 239 HA ARG A 16 8.120 0.548 -2.691 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.677 0.590 -3.285 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.620 -0.712 -4.017 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.685 -2.316 -2.545 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.960 -1.114 -1.497 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.151 -1.874 -2.673 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.536 -0.446 -3.542 1.00 0.00 H +ATOM 246 HE ARG A 16 4.127 -3.284 -4.320 1.00 0.00 H +ATOM 247 HH11 ARG A 16 3.507 -0.060 -5.490 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.473 -0.577 -7.160 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.040 -3.895 -6.271 1.00 0.00 H +ATOM 250 HH22 ARG A 16 3.899 -2.795 -7.633 1.00 0.00 H +ATOM 251 N PRO A 17 7.166 2.205 -0.969 1.00 0.00 N +ATOM 252 CA PRO A 17 6.727 3.117 0.088 1.00 0.00 C +ATOM 253 C PRO A 17 5.195 3.304 0.088 1.00 0.00 C +ATOM 254 O PRO A 17 4.551 3.043 -0.934 1.00 0.00 O +ATOM 255 CB PRO A 17 7.460 4.433 -0.196 1.00 0.00 C +ATOM 256 CG PRO A 17 7.647 4.418 -1.712 1.00 0.00 C +ATOM 257 CD PRO A 17 7.865 2.938 -2.017 1.00 0.00 C +ATOM 258 HA PRO A 17 7.042 2.728 1.057 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.869 5.275 0.109 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.437 4.415 0.288 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.774 4.790 -2.212 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.499 5.023 -2.023 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.459 2.692 -2.979 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.930 2.705 -1.974 1.00 0.00 H +ATOM 265 N PRO A 18 4.598 3.763 1.206 1.00 0.00 N +ATOM 266 CA PRO A 18 3.160 4.002 1.296 1.00 0.00 C +ATOM 267 C PRO A 18 2.723 5.223 0.459 1.00 0.00 C +ATOM 268 O PRO A 18 3.486 6.180 0.323 1.00 0.00 O +ATOM 269 CB PRO A 18 2.870 4.209 2.786 1.00 0.00 C +ATOM 270 CG PRO A 18 4.187 4.765 3.327 1.00 0.00 C +ATOM 271 CD PRO A 18 5.239 4.048 2.482 1.00 0.00 C +ATOM 272 HA PRO A 18 2.639 3.111 0.954 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.070 4.910 2.928 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.665 3.246 3.253 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.242 5.828 3.190 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.310 4.556 4.389 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.095 4.679 2.337 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.518 3.109 2.962 1.00 0.00 H +ATOM 279 N PRO A 19 1.487 5.223 -0.081 1.00 0.00 N +ATOM 280 CA PRO A 19 0.954 6.306 -0.911 1.00 0.00 C +ATOM 281 C PRO A 19 0.318 7.463 -0.116 1.00 0.00 C +ATOM 282 O PRO A 19 -0.042 8.473 -0.718 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.097 5.617 -1.786 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.667 4.552 -0.849 1.00 0.00 C +ATOM 285 CD PRO A 19 0.572 4.092 -0.088 1.00 0.00 C +ATOM 286 HA PRO A 19 1.738 6.719 -1.548 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.857 6.308 -2.094 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.396 5.133 -2.632 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.398 4.970 -0.184 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.129 3.736 -1.404 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.311 3.818 0.916 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.042 3.271 -0.628 1.00 0.00 H +ATOM 293 N SER A 20 0.154 7.315 1.206 1.00 0.00 N +ATOM 294 CA SER A 20 -0.381 8.320 2.134 1.00 0.00 C +ATOM 295 C SER A 20 0.429 8.296 3.426 1.00 0.00 C +ATOM 296 O SER A 20 0.669 7.163 3.906 1.00 0.00 O +ATOM 297 CB SER A 20 -1.858 8.039 2.425 1.00 0.00 C +ATOM 298 OG SER A 20 -2.535 9.236 2.730 1.00 0.00 O +ATOM 299 OXT SER A 20 0.789 9.398 3.882 1.00 0.00 O +ATOM 300 H SER A 20 0.527 6.490 1.654 1.00 0.00 H +ATOM 301 HA SER A 20 -0.263 9.307 1.688 1.00 0.00 H +ATOM 302 HB2 SER A 20 -2.309 7.588 1.562 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.945 7.348 3.266 1.00 0.00 H +ATOM 304 HG SER A 20 -1.973 9.971 2.469 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 9 +ATOM 1 N ASN A 1 -6.355 7.914 0.576 1.00 0.00 N +ATOM 2 CA ASN A 1 -6.778 6.858 -0.378 1.00 0.00 C +ATOM 3 C ASN A 1 -5.549 6.028 -0.782 1.00 0.00 C +ATOM 4 O ASN A 1 -4.530 6.178 -0.119 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.563 7.460 -1.562 1.00 0.00 C +ATOM 6 CG ASN A 1 -8.448 6.400 -2.211 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -8.022 5.688 -3.104 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -9.658 6.188 -1.730 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.830 7.486 1.328 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.742 8.573 0.115 1.00 0.00 H +ATOM 11 H3 ASN A 1 -7.157 8.399 0.955 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.452 6.182 0.150 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.178 8.264 -1.206 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -6.872 7.865 -2.304 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -10.087 6.731 -1.001 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -10.166 5.465 -2.217 1.00 0.00 H +ATOM 17 N LEU A 2 -5.630 5.135 -1.783 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.587 4.213 -2.289 1.00 0.00 C +ATOM 19 C LEU A 2 -3.962 3.229 -1.269 1.00 0.00 C +ATOM 20 O LEU A 2 -3.407 2.204 -1.668 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.510 5.015 -3.058 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.772 5.277 -4.555 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.748 3.980 -5.372 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -5.076 6.028 -4.834 1.00 0.00 C +ATOM 25 H LEU A 2 -6.497 5.119 -2.318 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.078 3.561 -3.012 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.409 5.968 -2.575 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.567 4.475 -3.000 1.00 0.00 H +ATOM 29 HG LEU A 2 -2.952 5.903 -4.913 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -2.862 3.397 -5.120 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -4.638 3.385 -5.182 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.712 4.225 -6.435 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -5.932 5.392 -4.613 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.123 6.933 -4.230 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -5.117 6.307 -5.887 1.00 0.00 H +ATOM 36 N TYR A 3 -4.092 3.484 0.034 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.507 2.707 1.123 1.00 0.00 C +ATOM 38 C TYR A 3 -3.985 1.247 1.144 1.00 0.00 C +ATOM 39 O TYR A 3 -3.180 0.347 1.372 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.807 3.419 2.451 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.696 3.269 3.468 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.590 2.095 4.240 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.753 4.303 3.625 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.550 1.959 5.180 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.711 4.172 4.561 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.611 3.005 5.344 1.00 0.00 C +ATOM 47 OH TYR A 3 0.374 2.911 6.276 1.00 0.00 O +ATOM 48 H TYR A 3 -4.425 4.414 0.259 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.425 2.700 0.981 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.951 4.464 2.254 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.742 3.045 2.871 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.308 1.299 4.106 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.821 5.207 3.034 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.462 1.059 5.769 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.006 4.966 4.698 1.00 0.00 H +ATOM 56 HH TYR A 3 0.027 2.663 7.133 1.00 0.00 H +ATOM 57 N ILE A 4 -5.271 0.998 0.853 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.839 -0.354 0.750 1.00 0.00 C +ATOM 59 C ILE A 4 -5.129 -1.160 -0.354 1.00 0.00 C +ATOM 60 O ILE A 4 -4.715 -2.294 -0.121 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.375 -0.317 0.526 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.137 0.556 1.557 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.940 -1.748 0.590 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.425 1.981 1.063 1.00 0.00 C +ATOM 65 H ILE A 4 -5.872 1.793 0.698 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.651 -0.867 1.695 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.576 0.069 -0.474 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.072 0.079 1.780 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.585 0.601 2.497 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.504 -2.371 -0.192 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.727 -2.194 1.563 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.020 -1.731 0.437 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.512 2.575 1.038 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -8.867 1.949 0.066 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.137 2.458 1.739 1.00 0.00 H +ATOM 76 N GLN A 5 -4.949 -0.564 -1.544 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.210 -1.179 -2.650 1.00 0.00 C +ATOM 78 C GLN A 5 -2.730 -1.412 -2.309 1.00 0.00 C +ATOM 79 O GLN A 5 -2.180 -2.447 -2.679 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.326 -0.333 -3.929 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.654 -0.555 -4.672 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.597 0.001 -6.097 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.724 -0.323 -6.881 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.527 0.846 -6.499 1.00 0.00 N +ATOM 85 H GLN A 5 -5.256 0.391 -1.646 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.639 -2.162 -2.849 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.251 0.704 -3.662 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.512 -0.622 -4.596 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.858 -1.608 -4.716 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.466 -0.086 -4.117 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.297 1.142 -5.929 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -6.409 1.126 -7.459 1.00 0.00 H +ATOM 93 N TRP A 6 -2.081 -0.492 -1.584 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.717 -0.712 -1.094 1.00 0.00 C +ATOM 95 C TRP A 6 -0.634 -1.871 -0.083 1.00 0.00 C +ATOM 96 O TRP A 6 0.235 -2.738 -0.203 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.168 0.595 -0.511 1.00 0.00 C +ATOM 98 CG TRP A 6 1.222 0.490 0.032 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.356 0.444 -0.705 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.648 0.375 1.425 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.446 0.307 0.129 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.068 0.266 1.450 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.980 0.360 2.668 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.796 0.163 2.643 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.699 0.248 3.874 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.103 0.153 3.864 1.00 0.00 C +ATOM 107 H TRP A 6 -2.567 0.373 -1.361 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.089 -0.993 -1.940 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.171 1.336 -1.287 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.824 0.933 0.292 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.407 0.492 -1.782 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.421 0.258 -0.183 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.097 0.448 2.689 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.873 0.086 2.605 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.170 0.248 4.818 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.648 0.079 4.793 1.00 0.00 H +ATOM 117 N LEU A 7 -1.559 -1.927 0.884 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.650 -3.030 1.843 1.00 0.00 C +ATOM 119 C LEU A 7 -1.902 -4.384 1.166 1.00 0.00 C +ATOM 120 O LEU A 7 -1.269 -5.361 1.560 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.733 -2.741 2.896 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.320 -1.710 3.964 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.516 -1.453 4.886 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.139 -2.196 4.813 1.00 0.00 C +ATOM 125 H LEU A 7 -2.231 -1.165 0.952 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.687 -3.126 2.344 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.603 -2.370 2.390 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.981 -3.673 3.405 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.041 -0.773 3.487 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.353 -1.069 4.302 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.815 -2.379 5.378 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.251 -0.717 5.645 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.303 -3.225 5.133 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.219 -2.141 4.234 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -1.022 -1.564 5.694 1.00 0.00 H +ATOM 136 N LYS A 8 -2.764 -4.435 0.137 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.064 -5.639 -0.660 1.00 0.00 C +ATOM 138 C LYS A 8 -1.824 -6.358 -1.202 1.00 0.00 C +ATOM 139 O LYS A 8 -1.858 -7.580 -1.310 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.983 -5.265 -1.837 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.484 -5.361 -1.533 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.970 -6.821 -1.519 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.373 -6.934 -2.133 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.546 -8.214 -2.860 1.00 0.00 N +ATOM 145 H LYS A 8 -3.276 -3.581 -0.075 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.567 -6.365 -0.022 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.764 -4.255 -2.124 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.765 -5.907 -2.694 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.673 -4.922 -0.572 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -6.001 -4.816 -2.323 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.288 -7.424 -2.086 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.982 -7.196 -0.493 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -8.103 -6.877 -1.348 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.516 -6.106 -2.833 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -6.850 -8.287 -3.593 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.431 -8.996 -2.230 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -8.463 -8.259 -3.283 1.00 0.00 H +ATOM 158 N ASP A 9 -0.763 -5.623 -1.552 1.00 0.00 N +ATOM 159 CA ASP A 9 0.496 -6.197 -2.043 1.00 0.00 C +ATOM 160 C ASP A 9 1.282 -6.902 -0.920 1.00 0.00 C +ATOM 161 O ASP A 9 1.817 -7.991 -1.121 1.00 0.00 O +ATOM 162 CB ASP A 9 1.321 -5.072 -2.691 1.00 0.00 C +ATOM 163 CG ASP A 9 2.292 -5.605 -3.748 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.441 -5.927 -3.382 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.868 -5.659 -4.923 1.00 0.00 O +ATOM 166 H ASP A 9 -0.837 -4.618 -1.476 1.00 0.00 H +ATOM 167 HA ASP A 9 0.265 -6.940 -2.810 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.651 -4.376 -3.157 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.866 -4.522 -1.921 1.00 0.00 H +ATOM 170 N GLY A 10 1.295 -6.304 0.280 1.00 0.00 N +ATOM 171 CA GLY A 10 2.040 -6.794 1.445 1.00 0.00 C +ATOM 172 C GLY A 10 2.489 -5.723 2.455 1.00 0.00 C +ATOM 173 O GLY A 10 3.314 -6.013 3.317 1.00 0.00 O +ATOM 174 H GLY A 10 0.707 -5.487 0.357 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.418 -7.514 1.975 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.937 -7.314 1.102 1.00 0.00 H +ATOM 177 N GLY A 11 1.982 -4.483 2.376 1.00 0.00 N +ATOM 178 CA GLY A 11 2.428 -3.400 3.257 1.00 0.00 C +ATOM 179 C GLY A 11 3.939 -3.116 3.122 1.00 0.00 C +ATOM 180 O GLY A 11 4.431 -3.017 1.996 1.00 0.00 O +ATOM 181 H GLY A 11 1.270 -4.287 1.690 1.00 0.00 H +ATOM 182 HA2 GLY A 11 1.885 -2.490 3.006 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.184 -3.679 4.281 1.00 0.00 H +ATOM 184 N PRO A 12 4.698 -2.946 4.226 1.00 0.00 N +ATOM 185 CA PRO A 12 6.130 -2.631 4.172 1.00 0.00 C +ATOM 186 C PRO A 12 7.010 -3.666 3.454 1.00 0.00 C +ATOM 187 O PRO A 12 8.063 -3.297 2.936 1.00 0.00 O +ATOM 188 CB PRO A 12 6.588 -2.475 5.628 1.00 0.00 C +ATOM 189 CG PRO A 12 5.303 -2.191 6.399 1.00 0.00 C +ATOM 190 CD PRO A 12 4.243 -2.957 5.611 1.00 0.00 C +ATOM 191 HA PRO A 12 6.248 -1.673 3.664 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.051 -3.377 5.980 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.305 -1.661 5.732 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.371 -2.555 7.406 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.086 -1.123 6.366 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.164 -3.965 5.971 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.275 -2.469 5.727 1.00 0.00 H +ATOM 198 N SER A 13 6.616 -4.948 3.398 1.00 0.00 N +ATOM 199 CA SER A 13 7.425 -6.010 2.779 1.00 0.00 C +ATOM 200 C SER A 13 7.282 -6.083 1.247 1.00 0.00 C +ATOM 201 O SER A 13 7.825 -6.993 0.624 1.00 0.00 O +ATOM 202 CB SER A 13 7.160 -7.358 3.464 1.00 0.00 C +ATOM 203 OG SER A 13 5.803 -7.725 3.370 1.00 0.00 O +ATOM 204 H SER A 13 5.705 -5.222 3.755 1.00 0.00 H +ATOM 205 HA SER A 13 8.474 -5.782 2.964 1.00 0.00 H +ATOM 206 HB2 SER A 13 7.759 -8.113 2.992 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.430 -7.277 4.519 1.00 0.00 H +ATOM 208 HG SER A 13 5.735 -8.681 3.298 1.00 0.00 H +ATOM 209 N SER A 14 6.606 -5.101 0.635 1.00 0.00 N +ATOM 210 CA SER A 14 6.348 -4.975 -0.808 1.00 0.00 C +ATOM 211 C SER A 14 7.404 -4.162 -1.577 1.00 0.00 C +ATOM 212 O SER A 14 7.289 -3.990 -2.790 1.00 0.00 O +ATOM 213 CB SER A 14 5.008 -4.262 -1.007 1.00 0.00 C +ATOM 214 OG SER A 14 4.002 -4.863 -0.226 1.00 0.00 O +ATOM 215 H SER A 14 6.121 -4.441 1.233 1.00 0.00 H +ATOM 216 HA SER A 14 6.278 -5.969 -1.254 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.110 -3.234 -0.719 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.727 -4.291 -2.059 1.00 0.00 H +ATOM 219 HG SER A 14 3.353 -4.187 -0.015 1.00 0.00 H +ATOM 220 N GLY A 15 8.395 -3.574 -0.897 1.00 0.00 N +ATOM 221 CA GLY A 15 9.449 -2.750 -1.509 1.00 0.00 C +ATOM 222 C GLY A 15 9.021 -1.317 -1.874 1.00 0.00 C +ATOM 223 O GLY A 15 9.808 -0.389 -1.697 1.00 0.00 O +ATOM 224 H GLY A 15 8.410 -3.718 0.104 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.294 -2.689 -0.823 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.796 -3.237 -2.420 1.00 0.00 H +ATOM 227 N ARG A 16 7.790 -1.115 -2.367 1.00 0.00 N +ATOM 228 CA ARG A 16 7.218 0.212 -2.656 1.00 0.00 C +ATOM 229 C ARG A 16 6.821 0.946 -1.353 1.00 0.00 C +ATOM 230 O ARG A 16 6.154 0.335 -0.515 1.00 0.00 O +ATOM 231 CB ARG A 16 6.002 0.046 -3.589 1.00 0.00 C +ATOM 232 CG ARG A 16 5.399 1.393 -4.024 1.00 0.00 C +ATOM 233 CD ARG A 16 4.125 1.223 -4.857 1.00 0.00 C +ATOM 234 NE ARG A 16 3.497 2.535 -5.114 1.00 0.00 N +ATOM 235 CZ ARG A 16 2.320 2.983 -4.685 1.00 0.00 C +ATOM 236 NH1 ARG A 16 1.482 2.226 -4.014 1.00 0.00 N +ATOM 237 NH2 ARG A 16 1.953 4.216 -4.940 1.00 0.00 N +ATOM 238 H ARG A 16 7.238 -1.952 -2.530 1.00 0.00 H +ATOM 239 HA ARG A 16 7.984 0.787 -3.176 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.312 -0.490 -4.465 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.238 -0.540 -3.076 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.163 1.964 -3.147 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.135 1.947 -4.608 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.374 0.761 -5.793 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.445 0.561 -4.322 1.00 0.00 H +ATOM 246 HE ARG A 16 4.053 3.192 -5.635 1.00 0.00 H +ATOM 247 HH11 ARG A 16 1.728 1.264 -3.884 1.00 0.00 H +ATOM 248 HH12 ARG A 16 0.601 2.578 -3.692 1.00 0.00 H +ATOM 249 HH21 ARG A 16 2.560 4.835 -5.449 1.00 0.00 H +ATOM 250 HH22 ARG A 16 1.060 4.549 -4.627 1.00 0.00 H +ATOM 251 N PRO A 17 7.132 2.251 -1.190 1.00 0.00 N +ATOM 252 CA PRO A 17 6.721 3.035 -0.016 1.00 0.00 C +ATOM 253 C PRO A 17 5.194 3.259 0.062 1.00 0.00 C +ATOM 254 O PRO A 17 4.507 3.162 -0.959 1.00 0.00 O +ATOM 255 CB PRO A 17 7.473 4.368 -0.143 1.00 0.00 C +ATOM 256 CG PRO A 17 7.674 4.523 -1.648 1.00 0.00 C +ATOM 257 CD PRO A 17 7.904 3.085 -2.103 1.00 0.00 C +ATOM 258 HA PRO A 17 7.053 2.520 0.885 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.889 5.177 0.251 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.446 4.287 0.346 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.803 4.942 -2.114 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.524 5.165 -1.882 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.561 2.953 -3.111 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.962 2.836 -2.011 1.00 0.00 H +ATOM 265 N PRO A 18 4.651 3.589 1.252 1.00 0.00 N +ATOM 266 CA PRO A 18 3.222 3.833 1.437 1.00 0.00 C +ATOM 267 C PRO A 18 2.772 5.142 0.759 1.00 0.00 C +ATOM 268 O PRO A 18 3.480 6.148 0.843 1.00 0.00 O +ATOM 269 CB PRO A 18 3.004 3.890 2.953 1.00 0.00 C +ATOM 270 CG PRO A 18 4.356 4.348 3.494 1.00 0.00 C +ATOM 271 CD PRO A 18 5.355 3.724 2.520 1.00 0.00 C +ATOM 272 HA PRO A 18 2.669 2.988 1.034 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.233 4.593 3.203 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.784 2.892 3.327 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.430 5.418 3.487 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.520 4.003 4.516 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.211 4.361 2.405 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.649 2.736 2.877 1.00 0.00 H +ATOM 279 N PRO A 19 1.591 5.165 0.108 1.00 0.00 N +ATOM 280 CA PRO A 19 1.031 6.371 -0.488 1.00 0.00 C +ATOM 281 C PRO A 19 0.380 7.262 0.584 1.00 0.00 C +ATOM 282 O PRO A 19 -0.321 6.767 1.470 1.00 0.00 O +ATOM 283 CB PRO A 19 0.009 5.859 -1.504 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.512 4.571 -0.862 1.00 0.00 C +ATOM 285 CD PRO A 19 0.696 4.034 -0.095 1.00 0.00 C +ATOM 286 HA PRO A 19 1.809 6.936 -1.005 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.784 6.568 -1.642 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.521 5.617 -2.437 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.327 4.778 -0.196 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.847 3.854 -1.611 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.386 3.632 0.850 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.206 3.279 -0.693 1.00 0.00 H +ATOM 293 N SER A 20 0.592 8.578 0.472 1.00 0.00 N +ATOM 294 CA SER A 20 0.019 9.620 1.329 1.00 0.00 C +ATOM 295 C SER A 20 -0.235 10.875 0.498 1.00 0.00 C +ATOM 296 O SER A 20 0.745 11.327 -0.137 1.00 0.00 O +ATOM 297 CB SER A 20 0.977 9.898 2.490 1.00 0.00 C +ATOM 298 OG SER A 20 0.308 10.641 3.489 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.409 11.298 0.440 1.00 0.00 O +ATOM 300 H SER A 20 1.168 8.935 -0.278 1.00 0.00 H +ATOM 301 HA SER A 20 -0.939 9.293 1.731 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.316 8.968 2.904 1.00 0.00 H +ATOM 303 HB3 SER A 20 1.845 10.449 2.120 1.00 0.00 H +ATOM 304 HG SER A 20 0.955 10.989 4.106 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 10 +ATOM 1 N ASN A 1 -6.943 6.963 0.951 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.689 6.240 -0.107 1.00 0.00 C +ATOM 3 C ASN A 1 -6.888 5.124 -0.770 1.00 0.00 C +ATOM 4 O ASN A 1 -7.377 4.006 -0.773 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.340 7.202 -1.116 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.413 8.048 -0.430 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -9.573 7.981 0.781 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.146 8.872 -1.153 1.00 0.00 N +ATOM 9 H1 ASN A 1 -6.551 6.315 1.619 1.00 0.00 H +ATOM 10 H2 ASN A 1 -6.210 7.532 0.552 1.00 0.00 H +ATOM 11 H3 ASN A 1 -7.600 7.571 1.435 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.514 5.723 0.389 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -7.587 7.849 -1.524 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.816 6.622 -1.909 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -10.039 8.989 -2.148 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -10.843 9.380 -0.632 1.00 0.00 H +ATOM 17 N LEU A 2 -5.683 5.360 -1.308 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.939 4.305 -2.022 1.00 0.00 C +ATOM 19 C LEU A 2 -4.268 3.260 -1.097 1.00 0.00 C +ATOM 20 O LEU A 2 -3.716 2.270 -1.573 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.943 4.985 -2.983 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.510 4.134 -4.197 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.689 3.815 -5.127 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.467 4.910 -5.004 1.00 0.00 C +ATOM 25 H LEU A 2 -5.289 6.289 -1.343 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.665 3.756 -2.620 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.400 5.882 -3.353 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.059 5.272 -2.417 1.00 0.00 H +ATOM 29 HG LEU A 2 -3.055 3.203 -3.864 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.375 3.120 -4.648 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -5.221 4.730 -5.390 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.321 3.345 -6.040 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.887 5.852 -5.359 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -1.596 5.115 -4.384 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -2.147 4.317 -5.861 1.00 0.00 H +ATOM 36 N TYR A 3 -4.340 3.443 0.228 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.683 2.595 1.228 1.00 0.00 C +ATOM 38 C TYR A 3 -4.096 1.115 1.160 1.00 0.00 C +ATOM 39 O TYR A 3 -3.266 0.248 1.427 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.925 3.179 2.630 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.760 2.970 3.580 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -1.680 3.874 3.561 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -2.753 1.884 4.475 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -0.588 3.691 4.430 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -1.662 1.698 5.348 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.577 2.599 5.325 1.00 0.00 C +ATOM 47 OH TYR A 3 0.476 2.408 6.162 1.00 0.00 O +ATOM 48 H TYR A 3 -4.813 4.268 0.548 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.609 2.637 1.035 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.100 4.233 2.534 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.832 2.746 3.057 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -1.686 4.718 2.886 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -3.582 1.193 4.494 1.00 0.00 H +ATOM 54 HE1 TYR A 3 0.229 4.396 4.422 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -1.639 0.873 6.042 1.00 0.00 H +ATOM 56 HH TYR A 3 1.215 2.981 5.950 1.00 0.00 H +ATOM 57 N ILE A 4 -5.333 0.810 0.732 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.790 -0.565 0.464 1.00 0.00 C +ATOM 59 C ILE A 4 -4.909 -1.223 -0.610 1.00 0.00 C +ATOM 60 O ILE A 4 -4.439 -2.342 -0.417 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.285 -0.604 0.049 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.234 0.069 1.074 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.764 -2.056 -0.139 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.662 1.477 0.657 1.00 0.00 C +ATOM 65 H ILE A 4 -5.959 1.576 0.529 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.679 -1.148 1.381 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.388 -0.102 -0.916 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.112 -0.539 1.177 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.760 0.113 2.055 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.127 -2.599 -0.836 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.772 -2.577 0.819 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.776 -2.054 -0.550 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.813 2.149 0.745 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.034 1.472 -0.368 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.458 1.827 1.316 1.00 0.00 H +ATOM 76 N GLN A 5 -4.664 -0.521 -1.727 1.00 0.00 N +ATOM 77 CA GLN A 5 -3.843 -0.981 -2.852 1.00 0.00 C +ATOM 78 C GLN A 5 -2.374 -1.203 -2.455 1.00 0.00 C +ATOM 79 O GLN A 5 -1.735 -2.102 -2.996 1.00 0.00 O +ATOM 80 CB GLN A 5 -3.966 0.016 -4.026 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.731 -0.540 -5.248 1.00 0.00 C +ATOM 82 CD GLN A 5 -3.839 -0.991 -6.408 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -2.801 -0.426 -6.704 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -4.226 -2.006 -7.158 1.00 0.00 N +ATOM 85 H GLN A 5 -4.986 0.437 -1.755 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.229 -1.945 -3.174 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.481 0.889 -3.674 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -2.974 0.357 -4.328 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.311 -1.383 -4.925 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.374 0.252 -5.631 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -5.133 -2.431 -7.060 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -3.683 -2.060 -8.004 1.00 0.00 H +ATOM 93 N TRP A 6 -1.859 -0.430 -1.488 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.534 -0.641 -0.897 1.00 0.00 C +ATOM 95 C TRP A 6 -0.505 -1.815 0.100 1.00 0.00 C +ATOM 96 O TRP A 6 0.412 -2.635 0.060 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.068 0.666 -0.245 1.00 0.00 C +ATOM 98 CG TRP A 6 1.303 0.611 0.356 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.468 0.703 -0.325 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.674 0.434 1.758 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.528 0.564 0.550 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.097 0.425 1.849 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.953 0.284 2.960 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.775 0.299 3.069 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.622 0.134 4.190 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.026 0.159 4.250 1.00 0.00 C +ATOM 107 H TRP A 6 -2.448 0.312 -1.131 1.00 0.00 H +ATOM 108 HA TRP A 6 0.169 -0.885 -1.694 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.074 1.434 -0.994 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.776 0.954 0.532 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.556 0.855 -1.394 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.512 0.575 0.270 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.126 0.291 2.931 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.854 0.309 3.090 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.050 0.016 5.100 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.527 0.067 5.203 1.00 0.00 H +ATOM 117 N LEU A 7 -1.510 -1.935 0.978 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.599 -3.048 1.926 1.00 0.00 C +ATOM 119 C LEU A 7 -1.809 -4.403 1.239 1.00 0.00 C +ATOM 120 O LEU A 7 -1.124 -5.355 1.613 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.699 -2.798 2.974 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.286 -1.852 4.119 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.491 -1.640 5.038 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.140 -2.415 4.972 1.00 0.00 C +ATOM 125 H LEU A 7 -2.224 -1.210 1.007 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.640 -3.131 2.434 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.547 -2.370 2.475 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.977 -3.755 3.419 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.983 -0.891 3.707 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.312 -1.199 4.473 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.814 -2.592 5.458 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.224 -0.969 5.855 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.389 -3.418 5.318 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.217 -2.452 4.397 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.968 -1.773 5.834 1.00 0.00 H +ATOM 136 N LYS A 8 -2.697 -4.510 0.235 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.957 -5.783 -0.469 1.00 0.00 C +ATOM 138 C LYS A 8 -1.729 -6.374 -1.170 1.00 0.00 C +ATOM 139 O LYS A 8 -1.710 -7.566 -1.460 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.168 -5.663 -1.419 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.006 -4.746 -2.644 1.00 0.00 C +ATOM 142 CD LYS A 8 -3.193 -5.323 -3.812 1.00 0.00 C +ATOM 143 CE LYS A 8 -3.386 -4.457 -5.061 1.00 0.00 C +ATOM 144 NZ LYS A 8 -2.231 -4.566 -5.977 1.00 0.00 N +ATOM 145 H LYS A 8 -3.247 -3.686 -0.007 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.228 -6.519 0.290 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.396 -6.648 -1.779 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -5.007 -5.283 -0.833 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.987 -4.511 -3.011 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -3.534 -3.825 -2.321 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -2.153 -5.339 -3.548 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -3.497 -6.350 -4.023 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -4.271 -4.779 -5.575 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -3.483 -3.417 -4.746 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -1.362 -4.377 -5.451 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -2.123 -5.504 -6.333 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -2.292 -3.898 -6.731 1.00 0.00 H +ATOM 158 N ASP A 9 -0.707 -5.552 -1.426 1.00 0.00 N +ATOM 159 CA ASP A 9 0.589 -5.960 -1.966 1.00 0.00 C +ATOM 160 C ASP A 9 1.516 -6.588 -0.906 1.00 0.00 C +ATOM 161 O ASP A 9 2.485 -7.250 -1.274 1.00 0.00 O +ATOM 162 CB ASP A 9 1.253 -4.722 -2.594 1.00 0.00 C +ATOM 163 CG ASP A 9 1.159 -4.718 -4.115 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.038 -4.607 -4.656 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.240 -4.782 -4.738 1.00 0.00 O +ATOM 166 H ASP A 9 -0.829 -4.576 -1.196 1.00 0.00 H +ATOM 167 HA ASP A 9 0.438 -6.713 -2.742 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.768 -3.843 -2.217 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.307 -4.701 -2.323 1.00 0.00 H +ATOM 170 N GLY A 10 1.212 -6.406 0.389 1.00 0.00 N +ATOM 171 CA GLY A 10 2.037 -6.837 1.523 1.00 0.00 C +ATOM 172 C GLY A 10 2.524 -5.698 2.431 1.00 0.00 C +ATOM 173 O GLY A 10 3.335 -5.946 3.326 1.00 0.00 O +ATOM 174 H GLY A 10 0.334 -5.944 0.606 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.452 -7.525 2.133 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.916 -7.372 1.161 1.00 0.00 H +ATOM 177 N GLY A 11 2.079 -4.450 2.212 1.00 0.00 N +ATOM 178 CA GLY A 11 2.527 -3.280 2.968 1.00 0.00 C +ATOM 179 C GLY A 11 4.060 -3.125 2.939 1.00 0.00 C +ATOM 180 O GLY A 11 4.630 -3.169 1.842 1.00 0.00 O +ATOM 181 H GLY A 11 1.473 -4.294 1.414 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.088 -2.385 2.527 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.161 -3.373 3.989 1.00 0.00 H +ATOM 184 N PRO A 12 4.753 -2.971 4.089 1.00 0.00 N +ATOM 185 CA PRO A 12 6.211 -2.791 4.140 1.00 0.00 C +ATOM 186 C PRO A 12 7.014 -3.874 3.403 1.00 0.00 C +ATOM 187 O PRO A 12 8.041 -3.574 2.797 1.00 0.00 O +ATOM 188 CB PRO A 12 6.582 -2.768 5.628 1.00 0.00 C +ATOM 189 CG PRO A 12 5.287 -2.370 6.329 1.00 0.00 C +ATOM 190 CD PRO A 12 4.205 -2.974 5.438 1.00 0.00 C +ATOM 191 HA PRO A 12 6.452 -1.822 3.699 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.909 -3.736 5.954 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.381 -2.053 5.830 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.244 -2.782 7.319 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.193 -1.282 6.336 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.982 -3.977 5.748 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.295 -2.381 5.511 1.00 0.00 H +ATOM 198 N SER A 13 6.533 -5.123 3.409 1.00 0.00 N +ATOM 199 CA SER A 13 7.187 -6.275 2.772 1.00 0.00 C +ATOM 200 C SER A 13 7.064 -6.297 1.237 1.00 0.00 C +ATOM 201 O SER A 13 7.472 -7.272 0.612 1.00 0.00 O +ATOM 202 CB SER A 13 6.637 -7.571 3.386 1.00 0.00 C +ATOM 203 OG SER A 13 6.985 -7.634 4.757 1.00 0.00 O +ATOM 204 H SER A 13 5.655 -5.302 3.884 1.00 0.00 H +ATOM 205 HA SER A 13 8.253 -6.230 2.991 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.569 -7.587 3.288 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.058 -8.437 2.875 1.00 0.00 H +ATOM 208 HG SER A 13 7.938 -7.738 4.830 1.00 0.00 H +ATOM 209 N SER A 14 6.524 -5.234 0.624 1.00 0.00 N +ATOM 210 CA SER A 14 6.244 -5.155 -0.818 1.00 0.00 C +ATOM 211 C SER A 14 7.352 -4.486 -1.642 1.00 0.00 C +ATOM 212 O SER A 14 7.292 -4.512 -2.869 1.00 0.00 O +ATOM 213 CB SER A 14 4.956 -4.361 -1.069 1.00 0.00 C +ATOM 214 OG SER A 14 3.953 -4.634 -0.126 1.00 0.00 O +ATOM 215 H SER A 14 6.200 -4.481 1.217 1.00 0.00 H +ATOM 216 HA SER A 14 6.093 -6.164 -1.206 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.186 -3.314 -1.030 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.589 -4.586 -2.070 1.00 0.00 H +ATOM 219 HG SER A 14 4.150 -4.078 0.666 1.00 0.00 H +ATOM 220 N GLY A 15 8.336 -3.840 -0.998 1.00 0.00 N +ATOM 221 CA GLY A 15 9.395 -3.094 -1.693 1.00 0.00 C +ATOM 222 C GLY A 15 8.943 -1.756 -2.301 1.00 0.00 C +ATOM 223 O GLY A 15 9.512 -1.327 -3.303 1.00 0.00 O +ATOM 224 H GLY A 15 8.352 -3.897 0.012 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.206 -2.893 -0.996 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.795 -3.712 -2.500 1.00 0.00 H +ATOM 227 N ARG A 16 7.916 -1.105 -1.732 1.00 0.00 N +ATOM 228 CA ARG A 16 7.364 0.181 -2.198 1.00 0.00 C +ATOM 229 C ARG A 16 6.867 1.046 -1.024 1.00 0.00 C +ATOM 230 O ARG A 16 6.262 0.497 -0.098 1.00 0.00 O +ATOM 231 CB ARG A 16 6.251 -0.057 -3.241 1.00 0.00 C +ATOM 232 CG ARG A 16 5.161 -1.058 -2.811 1.00 0.00 C +ATOM 233 CD ARG A 16 4.134 -1.346 -3.924 1.00 0.00 C +ATOM 234 NE ARG A 16 4.103 -2.766 -4.336 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.054 -3.492 -4.909 1.00 0.00 C +ATOM 236 NH1 ARG A 16 6.220 -2.996 -5.246 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.821 -4.753 -5.163 1.00 0.00 N +ATOM 238 H ARG A 16 7.511 -1.511 -0.898 1.00 0.00 H +ATOM 239 HA ARG A 16 8.172 0.718 -2.695 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.778 0.884 -3.444 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.725 -0.430 -4.149 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.634 -1.981 -2.535 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.637 -0.670 -1.938 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.159 -1.073 -3.568 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.340 -0.723 -4.795 1.00 0.00 H +ATOM 246 HE ARG A 16 3.238 -3.299 -4.232 1.00 0.00 H +ATOM 247 HH11 ARG A 16 6.407 -2.037 -5.038 1.00 0.00 H +ATOM 248 HH12 ARG A 16 6.943 -3.615 -5.560 1.00 0.00 H +ATOM 249 HH21 ARG A 16 3.839 -5.043 -5.009 1.00 0.00 H +ATOM 250 HH22 ARG A 16 5.505 -5.381 -5.529 1.00 0.00 H +ATOM 251 N PRO A 17 7.083 2.378 -1.045 1.00 0.00 N +ATOM 252 CA PRO A 17 6.638 3.277 0.023 1.00 0.00 C +ATOM 253 C PRO A 17 5.104 3.442 0.035 1.00 0.00 C +ATOM 254 O PRO A 17 4.455 3.170 -0.978 1.00 0.00 O +ATOM 255 CB PRO A 17 7.343 4.610 -0.260 1.00 0.00 C +ATOM 256 CG PRO A 17 7.496 4.611 -1.779 1.00 0.00 C +ATOM 257 CD PRO A 17 7.741 3.138 -2.101 1.00 0.00 C +ATOM 258 HA PRO A 17 6.968 2.888 0.986 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.744 5.438 0.067 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.332 4.604 0.204 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.603 4.967 -2.256 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.328 5.240 -2.103 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.319 2.890 -3.056 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.812 2.932 -2.083 1.00 0.00 H +ATOM 265 N PRO A 18 4.512 3.890 1.161 1.00 0.00 N +ATOM 266 CA PRO A 18 3.074 4.111 1.260 1.00 0.00 C +ATOM 267 C PRO A 18 2.616 5.335 0.440 1.00 0.00 C +ATOM 268 O PRO A 18 3.395 6.265 0.230 1.00 0.00 O +ATOM 269 CB PRO A 18 2.796 4.301 2.754 1.00 0.00 C +ATOM 270 CG PRO A 18 4.105 4.879 3.287 1.00 0.00 C +ATOM 271 CD PRO A 18 5.162 4.183 2.431 1.00 0.00 C +ATOM 272 HA PRO A 18 2.556 3.220 0.910 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.983 4.984 2.910 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.610 3.329 3.214 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.140 5.943 3.153 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.240 4.666 4.348 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.005 4.829 2.279 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.463 3.249 2.906 1.00 0.00 H +ATOM 279 N PRO A 19 1.341 5.370 0.004 1.00 0.00 N +ATOM 280 CA PRO A 19 0.777 6.481 -0.754 1.00 0.00 C +ATOM 281 C PRO A 19 0.447 7.673 0.157 1.00 0.00 C +ATOM 282 O PRO A 19 -0.482 7.605 0.965 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.466 5.904 -1.437 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.933 4.811 -0.475 1.00 0.00 C +ATOM 285 CD PRO A 19 0.371 4.292 0.127 1.00 0.00 C +ATOM 286 HA PRO A 19 1.481 6.804 -1.523 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.221 6.657 -1.557 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.172 5.448 -2.384 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.573 5.216 0.285 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.468 4.019 -0.996 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.227 4.038 1.160 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.725 3.441 -0.450 1.00 0.00 H +ATOM 293 N SER A 20 1.209 8.762 0.004 1.00 0.00 N +ATOM 294 CA SER A 20 1.059 10.038 0.716 1.00 0.00 C +ATOM 295 C SER A 20 1.217 11.216 -0.248 1.00 0.00 C +ATOM 296 O SER A 20 2.389 11.403 -0.664 1.00 0.00 O +ATOM 297 CB SER A 20 2.098 10.115 1.845 1.00 0.00 C +ATOM 298 OG SER A 20 3.359 10.263 1.230 1.00 0.00 O +ATOM 299 OXT SER A 20 0.202 11.886 -0.520 1.00 0.00 O +ATOM 300 H SER A 20 1.991 8.709 -0.634 1.00 0.00 H +ATOM 301 HA SER A 20 0.060 10.107 1.146 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.894 10.958 2.477 1.00 0.00 H +ATOM 303 HB3 SER A 20 2.070 9.211 2.456 1.00 0.00 H +ATOM 304 HG SER A 20 3.120 10.769 0.374 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 11 +ATOM 1 N ASN A 1 -6.688 7.436 -0.473 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.529 6.238 -0.712 1.00 0.00 C +ATOM 3 C ASN A 1 -6.749 5.006 -1.210 1.00 0.00 C +ATOM 4 O ASN A 1 -7.279 3.906 -1.158 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.713 6.573 -1.639 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.880 5.632 -1.366 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.413 5.629 -0.269 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.300 4.816 -2.315 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.936 7.221 0.168 1.00 0.00 H +ATOM 10 H2 ASN A 1 -6.305 7.780 -1.344 1.00 0.00 H +ATOM 11 H3 ASN A 1 -7.252 8.169 -0.065 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.963 5.944 0.246 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -9.025 7.584 -1.463 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.412 6.523 -2.686 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -9.869 4.743 -3.220 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -11.067 4.224 -2.039 1.00 0.00 H +ATOM 17 N LEU A 2 -5.494 5.147 -1.665 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.691 4.051 -2.237 1.00 0.00 C +ATOM 19 C LEU A 2 -4.046 3.125 -1.181 1.00 0.00 C +ATOM 20 O LEU A 2 -3.429 2.120 -1.531 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.615 4.692 -3.131 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.196 5.327 -4.413 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.432 6.605 -4.768 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -4.134 4.351 -5.589 1.00 0.00 C +ATOM 25 H LEU A 2 -5.038 6.044 -1.695 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.328 3.419 -2.859 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.113 5.455 -2.568 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.872 3.942 -3.409 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.238 5.607 -4.254 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -3.529 7.331 -3.961 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.377 6.382 -4.926 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.850 7.041 -5.676 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -3.107 4.029 -5.760 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -4.756 3.481 -5.378 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.508 4.834 -6.491 1.00 0.00 H +ATOM 36 N TYR A 3 -4.195 3.445 0.111 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.594 2.700 1.221 1.00 0.00 C +ATOM 38 C TYR A 3 -4.029 1.227 1.239 1.00 0.00 C +ATOM 39 O TYR A 3 -3.224 0.352 1.545 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.934 3.395 2.550 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.766 3.426 3.514 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.442 2.278 4.260 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.987 4.594 3.643 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.344 2.291 5.138 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.891 4.614 4.527 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.566 3.461 5.272 1.00 0.00 C +ATOM 47 OH TYR A 3 0.481 3.472 6.138 1.00 0.00 O +ATOM 48 H TYR A 3 -4.719 4.274 0.329 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.512 2.721 1.090 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.233 4.404 2.342 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.777 2.889 3.026 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.039 1.385 4.148 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.219 5.478 3.065 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.086 1.416 5.715 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.292 5.509 4.627 1.00 0.00 H +ATOM 56 HH TYR A 3 0.250 3.913 6.958 1.00 0.00 H +ATOM 57 N ILE A 4 -5.286 0.955 0.858 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.847 -0.393 0.739 1.00 0.00 C +ATOM 59 C ILE A 4 -5.076 -1.179 -0.327 1.00 0.00 C +ATOM 60 O ILE A 4 -4.596 -2.269 -0.040 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.361 -0.341 0.420 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.160 0.545 1.415 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.962 -1.760 0.413 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.201 1.423 0.710 1.00 0.00 C +ATOM 65 H ILE A 4 -5.875 1.740 0.624 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.714 -0.910 1.692 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.471 0.071 -0.583 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.664 -0.092 2.116 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.498 1.210 1.968 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.462 -2.390 -0.323 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.853 -2.219 1.398 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.022 -1.713 0.159 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -8.755 1.914 -0.157 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -10.046 0.816 0.386 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.552 2.192 1.399 1.00 0.00 H +ATOM 76 N GLN A 5 -4.908 -0.611 -1.532 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.116 -1.188 -2.627 1.00 0.00 C +ATOM 78 C GLN A 5 -2.676 -1.485 -2.194 1.00 0.00 C +ATOM 79 O GLN A 5 -2.183 -2.586 -2.432 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.133 -0.239 -3.843 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.217 -0.612 -4.859 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.369 0.472 -5.923 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -6.272 1.289 -5.876 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -4.484 0.535 -6.899 1.00 0.00 N +ATOM 85 H GLN A 5 -5.264 0.324 -1.655 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.559 -2.141 -2.917 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.314 0.761 -3.498 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.168 -0.273 -4.350 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -4.948 -1.535 -5.335 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.173 -0.735 -4.347 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -3.716 -0.109 -6.984 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -4.657 1.272 -7.562 1.00 0.00 H +ATOM 93 N TRP A 6 -2.015 -0.526 -1.535 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.661 -0.714 -1.009 1.00 0.00 C +ATOM 95 C TRP A 6 -0.581 -1.833 0.042 1.00 0.00 C +ATOM 96 O TRP A 6 0.287 -2.706 -0.046 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.147 0.614 -0.453 1.00 0.00 C +ATOM 98 CG TRP A 6 1.240 0.540 0.100 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.369 0.426 -0.635 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.668 0.524 1.498 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.457 0.329 0.207 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.087 0.401 1.528 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.008 0.607 2.744 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.824 0.375 2.719 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.737 0.578 3.950 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.140 0.468 3.941 1.00 0.00 C +ATOM 107 H TRP A 6 -2.482 0.369 -1.404 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.009 -1.011 -1.832 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.158 1.339 -1.244 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.819 0.959 0.333 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.409 0.399 -1.716 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.432 0.245 -0.091 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.065 0.714 2.764 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.901 0.285 2.682 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.222 0.668 4.895 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.687 0.462 4.872 1.00 0.00 H +ATOM 117 N LEU A 7 -1.500 -1.852 1.018 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.566 -2.933 2.003 1.00 0.00 C +ATOM 119 C LEU A 7 -1.887 -4.289 1.365 1.00 0.00 C +ATOM 120 O LEU A 7 -1.341 -5.295 1.810 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.578 -2.606 3.117 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.079 -1.558 4.127 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.224 -1.188 5.075 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.891 -2.038 4.980 1.00 0.00 C +ATOM 125 H LEU A 7 -2.182 -1.096 1.068 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.574 -3.041 2.436 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.475 -2.234 2.660 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.812 -3.520 3.665 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.776 -0.664 3.583 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.066 -0.795 4.505 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.553 -2.070 5.626 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.889 -0.433 5.787 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.235 -2.453 5.927 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.314 -2.808 4.473 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.234 -1.196 5.184 1.00 0.00 H +ATOM 136 N LYS A 8 -2.711 -4.325 0.308 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.090 -5.545 -0.417 1.00 0.00 C +ATOM 138 C LYS A 8 -1.889 -6.299 -0.992 1.00 0.00 C +ATOM 139 O LYS A 8 -1.885 -7.526 -0.985 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.077 -5.189 -1.537 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.961 -6.377 -1.915 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.092 -5.927 -2.853 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.345 -6.989 -3.925 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.706 -6.871 -4.496 1.00 0.00 N +ATOM 145 H LYS A 8 -3.163 -3.451 0.044 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.576 -6.217 0.293 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.702 -4.383 -1.205 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.527 -4.857 -2.421 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.364 -7.118 -2.411 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.410 -6.796 -1.012 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.988 -5.780 -2.282 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.831 -4.988 -3.347 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -5.625 -6.869 -4.712 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.210 -7.979 -3.483 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.393 -7.094 -3.788 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.869 -5.930 -4.825 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -7.818 -7.515 -5.269 1.00 0.00 H +ATOM 158 N ASP A 9 -0.879 -5.565 -1.461 1.00 0.00 N +ATOM 159 CA ASP A 9 0.388 -6.124 -1.938 1.00 0.00 C +ATOM 160 C ASP A 9 1.241 -6.707 -0.792 1.00 0.00 C +ATOM 161 O ASP A 9 2.087 -7.564 -1.026 1.00 0.00 O +ATOM 162 CB ASP A 9 1.146 -5.019 -2.691 1.00 0.00 C +ATOM 163 CG ASP A 9 2.006 -5.586 -3.819 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.181 -5.908 -3.534 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.487 -5.664 -4.954 1.00 0.00 O +ATOM 166 H ASP A 9 -0.992 -4.558 -1.468 1.00 0.00 H +ATOM 167 HA ASP A 9 0.170 -6.935 -2.635 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.435 -4.333 -3.108 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.772 -4.458 -1.992 1.00 0.00 H +ATOM 170 N GLY A 10 0.985 -6.274 0.450 1.00 0.00 N +ATOM 171 CA GLY A 10 1.737 -6.639 1.646 1.00 0.00 C +ATOM 172 C GLY A 10 2.495 -5.468 2.278 1.00 0.00 C +ATOM 173 O GLY A 10 3.461 -5.715 3.003 1.00 0.00 O +ATOM 174 H GLY A 10 0.165 -5.692 0.580 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.039 -7.025 2.389 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.442 -7.433 1.411 1.00 0.00 H +ATOM 177 N GLY A 11 2.110 -4.213 1.995 1.00 0.00 N +ATOM 178 CA GLY A 11 2.673 -3.013 2.615 1.00 0.00 C +ATOM 179 C GLY A 11 4.207 -2.948 2.501 1.00 0.00 C +ATOM 180 O GLY A 11 4.725 -3.042 1.386 1.00 0.00 O +ATOM 181 H GLY A 11 1.398 -4.072 1.288 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.258 -2.139 2.116 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.357 -2.986 3.655 1.00 0.00 H +ATOM 184 N PRO A 12 4.960 -2.809 3.616 1.00 0.00 N +ATOM 185 CA PRO A 12 6.424 -2.779 3.578 1.00 0.00 C +ATOM 186 C PRO A 12 7.069 -4.028 2.960 1.00 0.00 C +ATOM 187 O PRO A 12 8.189 -3.932 2.461 1.00 0.00 O +ATOM 188 CB PRO A 12 6.890 -2.607 5.031 1.00 0.00 C +ATOM 189 CG PRO A 12 5.663 -2.077 5.767 1.00 0.00 C +ATOM 190 CD PRO A 12 4.496 -2.685 4.991 1.00 0.00 C +ATOM 191 HA PRO A 12 6.736 -1.908 3.002 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.202 -3.547 5.443 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.726 -1.910 5.099 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.657 -2.404 6.789 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.630 -0.990 5.687 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.243 -3.649 5.389 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.623 -2.038 5.075 1.00 0.00 H +ATOM 198 N SER A 13 6.387 -5.186 2.959 1.00 0.00 N +ATOM 199 CA SER A 13 6.949 -6.443 2.439 1.00 0.00 C +ATOM 200 C SER A 13 7.314 -6.364 0.949 1.00 0.00 C +ATOM 201 O SER A 13 8.295 -6.974 0.530 1.00 0.00 O +ATOM 202 CB SER A 13 6.004 -7.621 2.705 1.00 0.00 C +ATOM 203 OG SER A 13 4.930 -7.624 1.798 1.00 0.00 O +ATOM 204 H SER A 13 5.432 -5.191 3.307 1.00 0.00 H +ATOM 205 HA SER A 13 7.871 -6.641 2.985 1.00 0.00 H +ATOM 206 HB2 SER A 13 6.551 -8.539 2.604 1.00 0.00 H +ATOM 207 HB3 SER A 13 5.606 -7.556 3.718 1.00 0.00 H +ATOM 208 HG SER A 13 4.348 -6.883 2.036 1.00 0.00 H +ATOM 209 N SER A 14 6.579 -5.561 0.169 1.00 0.00 N +ATOM 210 CA SER A 14 6.820 -5.327 -1.256 1.00 0.00 C +ATOM 211 C SER A 14 7.922 -4.294 -1.522 1.00 0.00 C +ATOM 212 O SER A 14 8.242 -4.017 -2.677 1.00 0.00 O +ATOM 213 CB SER A 14 5.537 -4.831 -1.928 1.00 0.00 C +ATOM 214 OG SER A 14 4.441 -5.626 -1.548 1.00 0.00 O +ATOM 215 H SER A 14 5.746 -5.132 0.560 1.00 0.00 H +ATOM 216 HA SER A 14 7.104 -6.271 -1.725 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.355 -3.815 -1.634 1.00 0.00 H +ATOM 218 HB3 SER A 14 5.656 -4.884 -3.011 1.00 0.00 H +ATOM 219 HG SER A 14 3.881 -5.799 -2.406 1.00 0.00 H +ATOM 220 N GLY A 15 8.461 -3.653 -0.477 1.00 0.00 N +ATOM 221 CA GLY A 15 9.520 -2.646 -0.549 1.00 0.00 C +ATOM 222 C GLY A 15 9.063 -1.246 -0.987 1.00 0.00 C +ATOM 223 O GLY A 15 9.688 -0.260 -0.601 1.00 0.00 O +ATOM 224 H GLY A 15 8.144 -3.918 0.453 1.00 0.00 H +ATOM 225 HA2 GLY A 15 9.982 -2.562 0.434 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.282 -2.988 -1.252 1.00 0.00 H +ATOM 227 N ARG A 16 7.983 -1.136 -1.775 1.00 0.00 N +ATOM 228 CA ARG A 16 7.407 0.144 -2.217 1.00 0.00 C +ATOM 229 C ARG A 16 6.873 0.959 -1.017 1.00 0.00 C +ATOM 230 O ARG A 16 6.188 0.381 -0.171 1.00 0.00 O +ATOM 231 CB ARG A 16 6.295 -0.134 -3.247 1.00 0.00 C +ATOM 232 CG ARG A 16 5.773 1.159 -3.895 1.00 0.00 C +ATOM 233 CD ARG A 16 4.638 0.926 -4.896 1.00 0.00 C +ATOM 234 NE ARG A 16 5.119 0.301 -6.142 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.470 0.248 -7.298 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.270 0.763 -7.440 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.020 -0.326 -8.342 1.00 0.00 N +ATOM 238 H ARG A 16 7.569 -2.007 -2.081 1.00 0.00 H +ATOM 239 HA ARG A 16 8.207 0.703 -2.701 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.686 -0.773 -4.015 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.468 -0.652 -2.755 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.414 1.807 -3.119 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.591 1.664 -4.410 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.906 0.283 -4.446 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.201 1.899 -5.127 1.00 0.00 H +ATOM 246 HE ARG A 16 6.032 -0.122 -6.114 1.00 0.00 H +ATOM 247 HH11 ARG A 16 2.845 1.192 -6.637 1.00 0.00 H +ATOM 248 HH12 ARG A 16 2.779 0.716 -8.314 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.933 -0.740 -8.273 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.520 -0.368 -9.211 1.00 0.00 H +ATOM 251 N PRO A 17 7.105 2.288 -0.945 1.00 0.00 N +ATOM 252 CA PRO A 17 6.592 3.134 0.139 1.00 0.00 C +ATOM 253 C PRO A 17 5.058 3.310 0.093 1.00 0.00 C +ATOM 254 O PRO A 17 4.451 3.102 -0.962 1.00 0.00 O +ATOM 255 CB PRO A 17 7.309 4.480 -0.034 1.00 0.00 C +ATOM 256 CG PRO A 17 7.588 4.545 -1.531 1.00 0.00 C +ATOM 257 CD PRO A 17 7.889 3.089 -1.878 1.00 0.00 C +ATOM 258 HA PRO A 17 6.871 2.694 1.095 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.679 5.292 0.274 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.253 4.460 0.511 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.731 4.902 -2.069 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.431 5.198 -1.763 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.597 2.878 -2.889 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.949 2.883 -1.728 1.00 0.00 H +ATOM 265 N PRO A 18 4.425 3.724 1.211 1.00 0.00 N +ATOM 266 CA PRO A 18 2.983 3.945 1.275 1.00 0.00 C +ATOM 267 C PRO A 18 2.554 5.198 0.492 1.00 0.00 C +ATOM 268 O PRO A 18 3.293 6.183 0.449 1.00 0.00 O +ATOM 269 CB PRO A 18 2.654 4.089 2.764 1.00 0.00 C +ATOM 270 CG PRO A 18 3.948 4.624 3.370 1.00 0.00 C +ATOM 271 CD PRO A 18 5.036 3.983 2.507 1.00 0.00 C +ATOM 272 HA PRO A 18 2.476 3.068 0.878 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.847 4.781 2.913 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.438 3.109 3.186 1.00 0.00 H +ATOM 275 HG2 PRO A 18 3.988 5.694 3.306 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.049 4.343 4.419 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.868 4.652 2.399 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.351 3.039 2.955 1.00 0.00 H +ATOM 279 N PRO A 19 1.342 5.203 -0.093 1.00 0.00 N +ATOM 280 CA PRO A 19 0.805 6.357 -0.803 1.00 0.00 C +ATOM 281 C PRO A 19 0.320 7.423 0.190 1.00 0.00 C +ATOM 282 O PRO A 19 -0.257 7.100 1.229 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.339 5.795 -1.648 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.864 4.631 -0.807 1.00 0.00 C +ATOM 285 CD PRO A 19 0.380 4.112 -0.089 1.00 0.00 C +ATOM 286 HA PRO A 19 1.566 6.787 -1.457 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.102 6.533 -1.800 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.063 5.409 -2.586 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.599 4.969 -0.102 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.304 3.856 -1.430 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.138 3.834 0.919 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.800 3.273 -0.642 1.00 0.00 H +ATOM 293 N SER A 20 0.540 8.696 -0.154 1.00 0.00 N +ATOM 294 CA SER A 20 0.107 9.883 0.597 1.00 0.00 C +ATOM 295 C SER A 20 -0.517 10.892 -0.359 1.00 0.00 C +ATOM 296 O SER A 20 0.173 11.221 -1.351 1.00 0.00 O +ATOM 297 CB SER A 20 1.287 10.518 1.338 1.00 0.00 C +ATOM 298 OG SER A 20 1.823 9.586 2.254 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.676 11.275 -0.100 1.00 0.00 O +ATOM 300 H SER A 20 0.976 8.906 -1.042 1.00 0.00 H +ATOM 301 HA SER A 20 -0.660 9.612 1.323 1.00 0.00 H +ATOM 302 HB2 SER A 20 2.043 10.801 0.631 1.00 0.00 H +ATOM 303 HB3 SER A 20 0.947 11.404 1.878 1.00 0.00 H +ATOM 304 HG SER A 20 1.894 8.744 1.792 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 12 +ATOM 1 N ASN A 1 -4.775 8.349 0.978 1.00 0.00 N +ATOM 2 CA ASN A 1 -5.666 7.501 0.145 1.00 0.00 C +ATOM 3 C ASN A 1 -4.883 6.315 -0.422 1.00 0.00 C +ATOM 4 O ASN A 1 -3.710 6.189 -0.099 1.00 0.00 O +ATOM 5 CB ASN A 1 -6.368 8.312 -0.963 1.00 0.00 C +ATOM 6 CG ASN A 1 -7.731 7.695 -1.245 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -8.561 7.621 -0.357 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -7.984 7.161 -2.427 1.00 0.00 N +ATOM 9 H1 ASN A 1 -4.291 7.782 1.665 1.00 0.00 H +ATOM 10 H2 ASN A 1 -4.059 8.774 0.407 1.00 0.00 H +ATOM 11 H3 ASN A 1 -5.305 9.067 1.452 1.00 0.00 H +ATOM 12 HA ASN A 1 -6.445 7.096 0.797 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -6.493 9.328 -0.640 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -5.758 8.337 -1.869 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -7.370 7.224 -3.224 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -8.930 6.818 -2.517 1.00 0.00 H +ATOM 17 N LEU A 2 -5.505 5.439 -1.230 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.870 4.301 -1.933 1.00 0.00 C +ATOM 19 C LEU A 2 -4.253 3.217 -1.013 1.00 0.00 C +ATOM 20 O LEU A 2 -3.725 2.212 -1.488 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.879 4.858 -2.987 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.862 4.103 -4.338 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.942 5.102 -5.500 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.594 3.266 -4.529 1.00 0.00 C +ATOM 25 H LEU A 2 -6.484 5.595 -1.443 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.671 3.797 -2.474 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.141 5.880 -3.181 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.875 4.881 -2.566 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.728 3.445 -4.407 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.863 5.680 -5.430 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.088 5.780 -5.472 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.942 4.567 -6.450 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -1.714 3.909 -4.532 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -2.501 2.537 -3.726 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -2.650 2.733 -5.479 1.00 0.00 H +ATOM 36 N TYR A 3 -4.358 3.387 0.311 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.724 2.561 1.334 1.00 0.00 C +ATOM 38 C TYR A 3 -4.131 1.084 1.243 1.00 0.00 C +ATOM 39 O TYR A 3 -3.272 0.213 1.349 1.00 0.00 O +ATOM 40 CB TYR A 3 -4.034 3.171 2.713 1.00 0.00 C +ATOM 41 CG TYR A 3 -3.135 2.703 3.842 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -1.737 2.851 3.727 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -3.685 2.171 5.024 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -0.891 2.412 4.759 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -2.842 1.741 6.067 1.00 0.00 C +ATOM 46 CZ TYR A 3 -1.438 1.829 5.920 1.00 0.00 C +ATOM 47 OH TYR A 3 -0.611 1.332 6.879 1.00 0.00 O +ATOM 48 H TYR A 3 -4.748 4.266 0.609 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.648 2.608 1.169 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.940 4.237 2.633 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -5.076 2.964 2.965 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -1.301 3.304 2.848 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -4.757 2.089 5.139 1.00 0.00 H +ATOM 54 HE1 TYR A 3 0.181 2.515 4.674 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -3.268 1.331 6.971 1.00 0.00 H +ATOM 56 HH TYR A 3 -1.077 0.804 7.527 1.00 0.00 H +ATOM 57 N ILE A 4 -5.411 0.798 0.958 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.929 -0.561 0.735 1.00 0.00 C +ATOM 59 C ILE A 4 -5.151 -1.265 -0.392 1.00 0.00 C +ATOM 60 O ILE A 4 -4.770 -2.424 -0.234 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.448 -0.558 0.412 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.318 0.310 1.355 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.010 -2.000 0.433 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.502 1.763 0.894 1.00 0.00 C +ATOM 65 H ILE A 4 -6.043 1.576 0.880 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.774 -1.132 1.651 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.573 -0.182 -0.605 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.288 -0.144 1.429 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.900 0.296 2.364 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.241 -2.738 0.216 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -8.427 -2.236 1.414 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.799 -2.084 -0.315 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.575 2.327 0.979 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -8.846 1.782 -0.141 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.256 2.242 1.519 1.00 0.00 H +ATOM 76 N GLN A 5 -4.901 -0.573 -1.513 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.125 -1.106 -2.634 1.00 0.00 C +ATOM 78 C GLN A 5 -2.693 -1.437 -2.204 1.00 0.00 C +ATOM 79 O GLN A 5 -2.251 -2.565 -2.402 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.128 -0.128 -3.830 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.010 -0.590 -5.001 1.00 0.00 C +ATOM 82 CD GLN A 5 -4.334 -0.299 -6.339 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.559 0.724 -6.965 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -3.468 -1.181 -6.803 1.00 0.00 N +ATOM 85 H GLN A 5 -5.142 0.409 -1.535 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.578 -2.049 -2.940 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.488 0.824 -3.489 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.103 -0.020 -4.191 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.182 -1.646 -4.916 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.966 -0.069 -4.961 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -3.220 -2.017 -6.300 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -3.046 -0.932 -7.681 1.00 0.00 H +ATOM 93 N TRP A 6 -1.990 -0.483 -1.580 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.617 -0.690 -1.102 1.00 0.00 C +ATOM 95 C TRP A 6 -0.505 -1.806 -0.047 1.00 0.00 C +ATOM 96 O TRP A 6 0.434 -2.605 -0.072 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.075 0.634 -0.556 1.00 0.00 C +ATOM 98 CG TRP A 6 1.309 0.540 0.003 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.446 0.522 -0.728 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.725 0.405 1.396 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.531 0.366 0.112 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.148 0.312 1.431 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.050 0.354 2.636 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.871 0.207 2.626 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.766 0.241 3.845 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.172 0.180 3.843 1.00 0.00 C +ATOM 107 H TRP A 6 -2.436 0.418 -1.445 1.00 0.00 H +ATOM 108 HA TRP A 6 0.001 -0.996 -1.948 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.069 1.351 -1.354 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.741 0.996 0.231 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.490 0.606 -1.806 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.506 0.317 -0.195 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.028 0.413 2.652 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.948 0.144 2.596 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.233 0.211 4.786 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.712 0.109 4.775 1.00 0.00 H +ATOM 117 N LEU A 7 -1.478 -1.903 0.868 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.565 -3.023 1.803 1.00 0.00 C +ATOM 119 C LEU A 7 -1.788 -4.359 1.077 1.00 0.00 C +ATOM 120 O LEU A 7 -1.184 -5.351 1.478 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.659 -2.772 2.854 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.323 -1.690 3.899 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.521 -1.550 4.842 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.085 -2.027 4.739 1.00 0.00 C +ATOM 125 H LEU A 7 -2.200 -1.184 0.892 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.606 -3.120 2.310 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.552 -2.472 2.340 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.840 -3.707 3.385 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.150 -0.733 3.410 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.397 -1.228 4.278 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.729 -2.502 5.330 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.305 -0.807 5.605 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.199 -3.007 5.202 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.194 -2.019 4.114 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.952 -1.273 5.515 1.00 0.00 H +ATOM 136 N LYS A 8 -2.578 -4.390 -0.010 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.803 -5.590 -0.835 1.00 0.00 C +ATOM 138 C LYS A 8 -1.523 -6.177 -1.436 1.00 0.00 C +ATOM 139 O LYS A 8 -1.444 -7.395 -1.565 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.841 -5.306 -1.943 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.102 -6.183 -1.820 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.388 -5.360 -1.964 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.575 -6.172 -1.439 1.00 0.00 C +ATOM 144 NZ LYS A 8 -8.803 -5.348 -1.365 1.00 0.00 N +ATOM 145 H LYS A 8 -3.058 -3.531 -0.269 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.176 -6.367 -0.170 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.133 -4.275 -1.883 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.394 -5.473 -2.925 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.081 -6.931 -2.589 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.122 -6.674 -0.847 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.297 -4.453 -1.399 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.539 -5.092 -3.010 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.750 -7.001 -2.098 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.320 -6.540 -0.441 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.641 -4.541 -0.776 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -9.066 -5.030 -2.289 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -9.564 -5.888 -0.973 1.00 0.00 H +ATOM 158 N ASP A 9 -0.517 -5.351 -1.751 1.00 0.00 N +ATOM 159 CA ASP A 9 0.810 -5.841 -2.151 1.00 0.00 C +ATOM 160 C ASP A 9 1.554 -6.575 -1.011 1.00 0.00 C +ATOM 161 O ASP A 9 2.438 -7.380 -1.298 1.00 0.00 O +ATOM 162 CB ASP A 9 1.696 -4.676 -2.632 1.00 0.00 C +ATOM 163 CG ASP A 9 1.245 -3.986 -3.921 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.597 -4.502 -5.006 1.00 0.00 O +ATOM 165 OD2 ASP A 9 0.666 -2.883 -3.811 1.00 0.00 O +ATOM 166 H ASP A 9 -0.685 -4.351 -1.702 1.00 0.00 H +ATOM 167 HA ASP A 9 0.696 -6.548 -2.974 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.720 -3.937 -1.854 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.698 -5.068 -2.815 1.00 0.00 H +ATOM 170 N GLY A 10 1.225 -6.295 0.263 1.00 0.00 N +ATOM 171 CA GLY A 10 1.982 -6.737 1.446 1.00 0.00 C +ATOM 172 C GLY A 10 2.507 -5.606 2.352 1.00 0.00 C +ATOM 173 O GLY A 10 3.317 -5.867 3.245 1.00 0.00 O +ATOM 174 H GLY A 10 0.375 -5.762 0.424 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.336 -7.376 2.049 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.840 -7.334 1.133 1.00 0.00 H +ATOM 177 N GLY A 11 2.078 -4.353 2.136 1.00 0.00 N +ATOM 178 CA GLY A 11 2.489 -3.194 2.933 1.00 0.00 C +ATOM 179 C GLY A 11 4.018 -3.015 3.017 1.00 0.00 C +ATOM 180 O GLY A 11 4.676 -2.975 1.975 1.00 0.00 O +ATOM 181 H GLY A 11 1.434 -4.188 1.373 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.070 -2.296 2.478 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.056 -3.301 3.926 1.00 0.00 H +ATOM 184 N PRO A 12 4.624 -2.897 4.222 1.00 0.00 N +ATOM 185 CA PRO A 12 6.074 -2.717 4.372 1.00 0.00 C +ATOM 186 C PRO A 12 6.928 -3.824 3.735 1.00 0.00 C +ATOM 187 O PRO A 12 8.086 -3.582 3.404 1.00 0.00 O +ATOM 188 CB PRO A 12 6.342 -2.659 5.880 1.00 0.00 C +ATOM 189 CG PRO A 12 4.997 -2.271 6.487 1.00 0.00 C +ATOM 190 CD PRO A 12 3.985 -2.895 5.530 1.00 0.00 C +ATOM 191 HA PRO A 12 6.352 -1.763 3.924 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.663 -3.615 6.246 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.115 -1.929 6.121 1.00 0.00 H +ATOM 194 HG2 PRO A 12 4.891 -2.675 7.475 1.00 0.00 H +ATOM 195 HG3 PRO A 12 4.893 -1.186 6.477 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.753 -3.898 5.834 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.065 -2.308 5.536 1.00 0.00 H +ATOM 198 N SER A 13 6.371 -5.030 3.550 1.00 0.00 N +ATOM 199 CA SER A 13 7.084 -6.170 2.958 1.00 0.00 C +ATOM 200 C SER A 13 7.083 -6.156 1.418 1.00 0.00 C +ATOM 201 O SER A 13 7.625 -7.072 0.804 1.00 0.00 O +ATOM 202 CB SER A 13 6.515 -7.484 3.508 1.00 0.00 C +ATOM 203 OG SER A 13 6.707 -7.539 4.910 1.00 0.00 O +ATOM 204 H SER A 13 5.380 -5.139 3.743 1.00 0.00 H +ATOM 205 HA SER A 13 8.130 -6.125 3.264 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.466 -7.537 3.290 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.033 -8.329 3.054 1.00 0.00 H +ATOM 208 HG SER A 13 6.297 -6.766 5.305 1.00 0.00 H +ATOM 209 N SER A 14 6.505 -5.124 0.784 1.00 0.00 N +ATOM 210 CA SER A 14 6.326 -5.021 -0.674 1.00 0.00 C +ATOM 211 C SER A 14 7.445 -4.276 -1.413 1.00 0.00 C +ATOM 212 O SER A 14 7.363 -4.116 -2.632 1.00 0.00 O +ATOM 213 CB SER A 14 5.029 -4.263 -0.971 1.00 0.00 C +ATOM 214 OG SER A 14 3.953 -4.822 -0.267 1.00 0.00 O +ATOM 215 H SER A 14 6.012 -4.435 1.345 1.00 0.00 H +ATOM 216 HA SER A 14 6.241 -6.022 -1.098 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.146 -3.237 -0.678 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.818 -4.312 -2.040 1.00 0.00 H +ATOM 219 HG SER A 14 3.220 -4.203 -0.295 1.00 0.00 H +ATOM 220 N GLY A 15 8.438 -3.724 -0.707 1.00 0.00 N +ATOM 221 CA GLY A 15 9.507 -2.889 -1.274 1.00 0.00 C +ATOM 222 C GLY A 15 9.063 -1.480 -1.708 1.00 0.00 C +ATOM 223 O GLY A 15 9.798 -0.518 -1.489 1.00 0.00 O +ATOM 224 H GLY A 15 8.430 -3.884 0.291 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.304 -2.784 -0.538 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.927 -3.393 -2.147 1.00 0.00 H +ATOM 227 N ARG A 16 7.872 -1.340 -2.309 1.00 0.00 N +ATOM 228 CA ARG A 16 7.271 -0.051 -2.694 1.00 0.00 C +ATOM 229 C ARG A 16 6.858 0.790 -1.462 1.00 0.00 C +ATOM 230 O ARG A 16 6.260 0.241 -0.533 1.00 0.00 O +ATOM 231 CB ARG A 16 6.089 -0.273 -3.662 1.00 0.00 C +ATOM 232 CG ARG A 16 4.953 -1.164 -3.120 1.00 0.00 C +ATOM 233 CD ARG A 16 3.733 -1.249 -4.050 1.00 0.00 C +ATOM 234 NE ARG A 16 4.008 -2.020 -5.278 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.304 -1.553 -6.487 1.00 0.00 C +ATOM 236 NH1 ARG A 16 4.332 -0.266 -6.751 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.584 -2.382 -7.463 1.00 0.00 N +ATOM 238 H ARG A 16 7.380 -2.207 -2.502 1.00 0.00 H +ATOM 239 HA ARG A 16 8.042 0.496 -3.233 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.672 0.686 -3.902 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.479 -0.726 -4.575 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.339 -2.155 -2.977 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.607 -0.763 -2.173 1.00 0.00 H +ATOM 244 HD2 ARG A 16 2.929 -1.722 -3.520 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.380 -0.245 -4.284 1.00 0.00 H +ATOM 246 HE ARG A 16 3.860 -3.017 -5.208 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.070 0.367 -6.019 1.00 0.00 H +ATOM 248 HH12 ARG A 16 4.528 0.072 -7.675 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.555 -3.374 -7.290 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.810 -2.036 -8.376 1.00 0.00 H +ATOM 251 N PRO A 17 7.111 2.116 -1.447 1.00 0.00 N +ATOM 252 CA PRO A 17 6.730 2.992 -0.332 1.00 0.00 C +ATOM 253 C PRO A 17 5.203 3.215 -0.255 1.00 0.00 C +ATOM 254 O PRO A 17 4.512 3.033 -1.262 1.00 0.00 O +ATOM 255 CB PRO A 17 7.472 4.309 -0.592 1.00 0.00 C +ATOM 256 CG PRO A 17 7.586 4.354 -2.114 1.00 0.00 C +ATOM 257 CD PRO A 17 7.780 2.885 -2.487 1.00 0.00 C +ATOM 258 HA PRO A 17 7.081 2.557 0.604 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.910 5.146 -0.224 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.471 4.256 -0.155 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.692 4.750 -2.556 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.426 4.969 -2.440 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.339 2.682 -3.444 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.845 2.645 -2.487 1.00 0.00 H +ATOM 265 N PRO A 18 4.666 3.621 0.914 1.00 0.00 N +ATOM 266 CA PRO A 18 3.235 3.860 1.094 1.00 0.00 C +ATOM 267 C PRO A 18 2.748 5.165 0.425 1.00 0.00 C +ATOM 268 O PRO A 18 3.529 6.100 0.248 1.00 0.00 O +ATOM 269 CB PRO A 18 3.024 3.899 2.612 1.00 0.00 C +ATOM 270 CG PRO A 18 4.361 4.406 3.146 1.00 0.00 C +ATOM 271 CD PRO A 18 5.372 3.796 2.177 1.00 0.00 C +ATOM 272 HA PRO A 18 2.688 3.015 0.682 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.228 4.570 2.871 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.846 2.890 2.983 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.404 5.478 3.124 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.538 4.078 4.171 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.209 4.455 2.048 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.693 2.821 2.549 1.00 0.00 H +ATOM 279 N PRO A 19 1.443 5.263 0.091 1.00 0.00 N +ATOM 280 CA PRO A 19 0.813 6.446 -0.514 1.00 0.00 C +ATOM 281 C PRO A 19 0.366 7.514 0.505 1.00 0.00 C +ATOM 282 O PRO A 19 -0.168 8.563 0.135 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.418 5.883 -1.228 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.852 4.754 -0.291 1.00 0.00 C +ATOM 285 CD PRO A 19 0.481 4.171 0.160 1.00 0.00 C +ATOM 286 HA PRO A 19 1.483 6.910 -1.240 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.186 6.626 -1.322 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.127 5.468 -2.194 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.411 5.134 0.542 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.463 4.012 -0.801 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.406 3.804 1.165 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.786 3.388 -0.533 1.00 0.00 H +ATOM 293 N SER A 20 0.475 7.235 1.804 1.00 0.00 N +ATOM 294 CA SER A 20 0.117 8.121 2.917 1.00 0.00 C +ATOM 295 C SER A 20 0.951 7.740 4.134 1.00 0.00 C +ATOM 296 O SER A 20 1.145 6.518 4.316 1.00 0.00 O +ATOM 297 CB SER A 20 -1.376 8.004 3.229 1.00 0.00 C +ATOM 298 OG SER A 20 -2.078 8.526 2.113 1.00 0.00 O +ATOM 299 OXT SER A 20 1.384 8.682 4.830 1.00 0.00 O +ATOM 300 H SER A 20 0.881 6.355 2.097 1.00 0.00 H +ATOM 301 HA SER A 20 0.361 9.155 2.677 1.00 0.00 H +ATOM 302 HB2 SER A 20 -1.640 6.975 3.382 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.610 8.576 4.131 1.00 0.00 H +ATOM 304 HG SER A 20 -1.383 8.683 1.436 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 13 +ATOM 1 N ASN A 1 -7.908 6.785 -1.311 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.019 6.327 -0.216 1.00 0.00 C +ATOM 3 C ASN A 1 -5.683 5.747 -0.661 1.00 0.00 C +ATOM 4 O ASN A 1 -4.708 6.050 0.013 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.728 5.352 0.732 1.00 0.00 C +ATOM 6 CG ASN A 1 -8.620 6.137 1.676 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -9.560 6.770 1.223 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -8.313 6.173 2.959 1.00 0.00 N +ATOM 9 H1 ASN A 1 -7.434 7.466 -1.890 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.205 6.004 -1.879 1.00 0.00 H +ATOM 11 H3 ASN A 1 -8.733 7.210 -0.902 1.00 0.00 H +ATOM 12 HA ASN A 1 -6.754 7.204 0.378 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.324 4.666 0.162 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -6.996 4.787 1.311 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -7.513 5.701 3.351 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -8.923 6.730 3.536 1.00 0.00 H +ATOM 17 N LEU A 2 -5.615 4.880 -1.688 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.406 4.163 -2.156 1.00 0.00 C +ATOM 19 C LEU A 2 -3.837 3.130 -1.158 1.00 0.00 C +ATOM 20 O LEU A 2 -3.364 2.071 -1.568 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.322 5.161 -2.622 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.769 6.069 -3.790 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.562 7.551 -3.463 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.001 5.730 -5.068 1.00 0.00 C +ATOM 25 H LEU A 2 -6.452 4.624 -2.189 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.692 3.585 -3.037 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.057 5.785 -1.790 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.440 4.595 -2.923 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.830 5.921 -3.991 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.099 7.813 -2.552 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.502 7.762 -3.318 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.938 8.167 -4.281 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -1.934 5.911 -4.924 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -3.157 4.681 -5.323 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.359 6.350 -5.889 1.00 0.00 H +ATOM 36 N TYR A 3 -3.941 3.391 0.150 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.446 2.538 1.230 1.00 0.00 C +ATOM 38 C TYR A 3 -4.000 1.103 1.182 1.00 0.00 C +ATOM 39 O TYR A 3 -3.277 0.167 1.508 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.738 3.210 2.583 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.672 2.927 3.623 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.765 1.788 4.444 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.567 3.795 3.740 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.751 1.512 5.382 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.550 3.520 4.672 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.641 2.375 5.495 1.00 0.00 C +ATOM 47 OH TYR A 3 0.344 2.091 6.389 1.00 0.00 O +ATOM 48 H TYR A 3 -4.221 4.340 0.385 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.363 2.475 1.122 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.797 4.271 2.433 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.711 2.883 2.955 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.607 1.120 4.349 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.493 4.677 3.117 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.801 0.643 6.018 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.291 4.191 4.755 1.00 0.00 H +ATOM 56 HH TYR A 3 1.086 2.690 6.302 1.00 0.00 H +ATOM 57 N ILE A 4 -5.249 0.909 0.731 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.862 -0.418 0.547 1.00 0.00 C +ATOM 59 C ILE A 4 -5.108 -1.223 -0.524 1.00 0.00 C +ATOM 60 O ILE A 4 -4.705 -2.359 -0.275 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.371 -0.307 0.207 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.145 0.575 1.218 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.018 -1.702 0.164 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.506 1.935 0.617 1.00 0.00 C +ATOM 65 H ILE A 4 -5.779 1.731 0.489 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.769 -0.964 1.487 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.472 0.126 -0.790 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.048 0.069 1.502 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.554 0.726 2.123 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.562 -2.315 -0.613 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.904 -2.200 1.127 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.081 -1.610 -0.065 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.611 2.423 0.233 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.219 1.799 -0.198 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.963 2.563 1.384 1.00 0.00 H +ATOM 76 N GLN A 5 -4.883 -0.627 -1.705 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.097 -1.237 -2.779 1.00 0.00 C +ATOM 78 C GLN A 5 -2.654 -1.511 -2.339 1.00 0.00 C +ATOM 79 O GLN A 5 -2.134 -2.592 -2.614 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.124 -0.349 -4.035 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.446 -0.464 -4.826 1.00 0.00 C +ATOM 82 CD GLN A 5 -6.302 0.803 -4.886 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.896 1.911 -4.564 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -7.545 0.678 -5.313 1.00 0.00 N +ATOM 85 H GLN A 5 -5.163 0.337 -1.814 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.533 -2.207 -3.026 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -3.993 0.673 -3.735 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.318 -0.674 -4.696 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.203 -0.745 -5.833 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.054 -1.268 -4.411 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.934 -0.208 -5.587 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -8.048 1.544 -5.402 1.00 0.00 H +ATOM 93 N TRP A 6 -2.027 -0.572 -1.618 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.693 -0.764 -1.047 1.00 0.00 C +ATOM 95 C TRP A 6 -0.644 -1.917 -0.026 1.00 0.00 C +ATOM 96 O TRP A 6 0.231 -2.778 -0.111 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.213 0.557 -0.443 1.00 0.00 C +ATOM 98 CG TRP A 6 1.169 0.505 0.124 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.314 0.542 -0.597 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.577 0.373 1.518 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.396 0.430 0.252 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.001 0.346 1.569 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.887 0.268 2.747 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.712 0.258 2.772 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.592 0.150 3.960 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.998 0.165 3.978 1.00 0.00 C +ATOM 107 H TRP A 6 -2.505 0.316 -1.478 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.010 -1.033 -1.856 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.234 1.306 -1.211 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.898 0.860 0.348 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.368 0.630 -1.674 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.370 0.409 -0.063 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.194 0.280 2.749 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.792 0.247 2.758 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.046 0.055 4.888 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.527 0.092 4.916 1.00 0.00 H +ATOM 117 N LEU A 7 -1.605 -2.000 0.907 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.710 -3.134 1.832 1.00 0.00 C +ATOM 119 C LEU A 7 -1.929 -4.466 1.106 1.00 0.00 C +ATOM 120 O LEU A 7 -1.324 -5.461 1.502 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.824 -2.903 2.868 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.460 -1.924 4.000 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.711 -1.690 4.853 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.353 -2.460 4.918 1.00 0.00 C +ATOM 125 H LEU A 7 -2.291 -1.251 0.973 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.757 -3.234 2.349 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.682 -2.515 2.354 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -3.076 -3.862 3.324 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.134 -0.976 3.579 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.496 -1.248 4.240 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -4.067 -2.637 5.262 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.483 -1.016 5.677 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.664 -3.401 5.371 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.433 -2.614 4.360 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -1.147 -1.735 5.706 1.00 0.00 H +ATOM 136 N LYS A 8 -2.718 -4.492 0.018 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.894 -5.686 -0.829 1.00 0.00 C +ATOM 138 C LYS A 8 -1.564 -6.220 -1.379 1.00 0.00 C +ATOM 139 O LYS A 8 -1.459 -7.409 -1.665 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.864 -5.370 -1.980 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.388 -6.622 -2.718 1.00 0.00 C +ATOM 142 CD LYS A 8 -4.505 -6.437 -4.242 1.00 0.00 C +ATOM 143 CE LYS A 8 -3.209 -6.745 -5.018 1.00 0.00 C +ATOM 144 NZ LYS A 8 -2.118 -5.779 -4.739 1.00 0.00 N +ATOM 145 H LYS A 8 -3.231 -3.643 -0.211 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.325 -6.477 -0.214 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.705 -4.839 -1.577 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.360 -4.716 -2.685 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -3.715 -7.435 -2.526 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.377 -6.849 -2.317 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.276 -7.091 -4.602 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -4.855 -5.430 -4.471 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -2.873 -7.727 -4.745 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -3.446 -6.733 -6.086 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -2.396 -4.819 -4.880 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -1.774 -5.854 -3.793 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -1.282 -5.906 -5.304 1.00 0.00 H +ATOM 158 N ASP A 9 -0.551 -5.368 -1.570 1.00 0.00 N +ATOM 159 CA ASP A 9 0.787 -5.808 -1.980 1.00 0.00 C +ATOM 160 C ASP A 9 1.595 -6.452 -0.830 1.00 0.00 C +ATOM 161 O ASP A 9 2.685 -6.970 -1.090 1.00 0.00 O +ATOM 162 CB ASP A 9 1.594 -4.630 -2.566 1.00 0.00 C +ATOM 163 CG ASP A 9 0.973 -3.926 -3.776 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.255 -4.603 -4.551 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.306 -2.727 -3.970 1.00 0.00 O +ATOM 166 H ASP A 9 -0.687 -4.388 -1.343 1.00 0.00 H +ATOM 167 HA ASP A 9 0.689 -6.562 -2.762 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.719 -3.900 -1.790 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.559 -5.017 -2.894 1.00 0.00 H +ATOM 170 N GLY A 10 1.155 -6.367 0.440 1.00 0.00 N +ATOM 171 CA GLY A 10 1.920 -6.800 1.627 1.00 0.00 C +ATOM 172 C GLY A 10 2.495 -5.666 2.504 1.00 0.00 C +ATOM 173 O GLY A 10 3.323 -5.931 3.387 1.00 0.00 O +ATOM 174 H GLY A 10 0.231 -5.972 0.604 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.260 -7.399 2.254 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.750 -7.439 1.326 1.00 0.00 H +ATOM 177 N GLY A 11 2.078 -4.413 2.271 1.00 0.00 N +ATOM 178 CA GLY A 11 2.452 -3.248 3.072 1.00 0.00 C +ATOM 179 C GLY A 11 3.971 -2.986 3.103 1.00 0.00 C +ATOM 180 O GLY A 11 4.593 -2.901 2.043 1.00 0.00 O +ATOM 181 H GLY A 11 1.509 -4.255 1.448 1.00 0.00 H +ATOM 182 HA2 GLY A 11 1.968 -2.368 2.650 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.064 -3.396 4.078 1.00 0.00 H +ATOM 184 N PRO A 12 4.608 -2.840 4.289 1.00 0.00 N +ATOM 185 CA PRO A 12 6.049 -2.569 4.388 1.00 0.00 C +ATOM 186 C PRO A 12 6.947 -3.622 3.719 1.00 0.00 C +ATOM 187 O PRO A 12 8.100 -3.334 3.404 1.00 0.00 O +ATOM 188 CB PRO A 12 6.365 -2.497 5.887 1.00 0.00 C +ATOM 189 CG PRO A 12 5.019 -2.212 6.546 1.00 0.00 C +ATOM 190 CD PRO A 12 4.017 -2.897 5.618 1.00 0.00 C +ATOM 191 HA PRO A 12 6.252 -1.600 3.932 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.768 -3.428 6.235 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.091 -1.712 6.104 1.00 0.00 H +ATOM 194 HG2 PRO A 12 4.978 -2.632 7.532 1.00 0.00 H +ATOM 195 HG3 PRO A 12 4.836 -1.136 6.553 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.866 -3.916 5.917 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.061 -2.377 5.665 1.00 0.00 H +ATOM 198 N SER A 13 6.430 -4.838 3.502 1.00 0.00 N +ATOM 199 CA SER A 13 7.167 -5.968 2.930 1.00 0.00 C +ATOM 200 C SER A 13 7.113 -6.043 1.392 1.00 0.00 C +ATOM 201 O SER A 13 7.652 -6.980 0.805 1.00 0.00 O +ATOM 202 CB SER A 13 6.723 -7.269 3.614 1.00 0.00 C +ATOM 203 OG SER A 13 5.376 -7.634 3.349 1.00 0.00 O +ATOM 204 H SER A 13 5.454 -4.968 3.734 1.00 0.00 H +ATOM 205 HA SER A 13 8.222 -5.839 3.177 1.00 0.00 H +ATOM 206 HB2 SER A 13 7.360 -8.063 3.274 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.865 -7.162 4.691 1.00 0.00 H +ATOM 208 HG SER A 13 4.737 -6.918 3.537 1.00 0.00 H +ATOM 209 N SER A 14 6.508 -5.047 0.733 1.00 0.00 N +ATOM 210 CA SER A 14 6.226 -5.028 -0.713 1.00 0.00 C +ATOM 211 C SER A 14 7.223 -4.235 -1.564 1.00 0.00 C +ATOM 212 O SER A 14 7.035 -4.116 -2.774 1.00 0.00 O +ATOM 213 CB SER A 14 4.854 -4.397 -0.935 1.00 0.00 C +ATOM 214 OG SER A 14 3.928 -5.006 -0.081 1.00 0.00 O +ATOM 215 H SER A 14 6.017 -4.350 1.287 1.00 0.00 H +ATOM 216 HA SER A 14 6.196 -6.052 -1.088 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.903 -3.346 -0.722 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.546 -4.527 -1.971 1.00 0.00 H +ATOM 219 HG SER A 14 3.589 -5.837 -0.501 1.00 0.00 H +ATOM 220 N GLY A 15 8.236 -3.613 -0.954 1.00 0.00 N +ATOM 221 CA GLY A 15 9.241 -2.785 -1.634 1.00 0.00 C +ATOM 222 C GLY A 15 8.755 -1.388 -2.056 1.00 0.00 C +ATOM 223 O GLY A 15 9.534 -0.439 -2.013 1.00 0.00 O +ATOM 224 H GLY A 15 8.306 -3.739 0.046 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.102 -2.664 -0.978 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.576 -3.308 -2.531 1.00 0.00 H +ATOM 227 N ARG A 16 7.484 -1.243 -2.458 1.00 0.00 N +ATOM 228 CA ARG A 16 6.866 0.043 -2.822 1.00 0.00 C +ATOM 229 C ARG A 16 6.607 0.907 -1.567 1.00 0.00 C +ATOM 230 O ARG A 16 6.048 0.385 -0.598 1.00 0.00 O +ATOM 231 CB ARG A 16 5.566 -0.231 -3.600 1.00 0.00 C +ATOM 232 CG ARG A 16 5.057 1.011 -4.351 1.00 0.00 C +ATOM 233 CD ARG A 16 3.793 0.732 -5.180 1.00 0.00 C +ATOM 234 NE ARG A 16 4.079 -0.101 -6.363 1.00 0.00 N +ATOM 235 CZ ARG A 16 3.877 -1.406 -6.533 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.266 -2.191 -5.676 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.308 -1.979 -7.632 1.00 0.00 N +ATOM 238 H ARG A 16 6.937 -2.095 -2.518 1.00 0.00 H +ATOM 239 HA ARG A 16 7.569 0.558 -3.476 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.749 -1.013 -4.312 1.00 0.00 H +ATOM 241 HB3 ARG A 16 4.793 -0.580 -2.914 1.00 0.00 H +ATOM 242 HG2 ARG A 16 4.834 1.777 -3.634 1.00 0.00 H +ATOM 243 HG3 ARG A 16 5.843 1.374 -5.018 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.079 0.222 -4.562 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.407 1.693 -5.529 1.00 0.00 H +ATOM 246 HE ARG A 16 4.530 0.371 -7.128 1.00 0.00 H +ATOM 247 HH11 ARG A 16 2.673 -1.883 -4.893 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.162 -3.167 -5.861 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.765 -1.448 -8.350 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.157 -2.963 -7.759 1.00 0.00 H +ATOM 251 N PRO A 17 6.947 2.213 -1.560 1.00 0.00 N +ATOM 252 CA PRO A 17 6.730 3.085 -0.400 1.00 0.00 C +ATOM 253 C PRO A 17 5.232 3.312 -0.095 1.00 0.00 C +ATOM 254 O PRO A 17 4.400 3.172 -0.996 1.00 0.00 O +ATOM 255 CB PRO A 17 7.438 4.403 -0.744 1.00 0.00 C +ATOM 256 CG PRO A 17 7.414 4.433 -2.270 1.00 0.00 C +ATOM 257 CD PRO A 17 7.583 2.961 -2.635 1.00 0.00 C +ATOM 258 HA PRO A 17 7.208 2.638 0.471 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.907 5.241 -0.336 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.472 4.360 -0.399 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.481 4.818 -2.635 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.216 5.048 -2.679 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.104 2.750 -3.572 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.643 2.709 -2.673 1.00 0.00 H +ATOM 265 N PRO A 18 4.878 3.687 1.151 1.00 0.00 N +ATOM 266 CA PRO A 18 3.495 3.929 1.554 1.00 0.00 C +ATOM 267 C PRO A 18 2.938 5.209 0.903 1.00 0.00 C +ATOM 268 O PRO A 18 3.617 6.239 0.913 1.00 0.00 O +ATOM 269 CB PRO A 18 3.524 4.048 3.081 1.00 0.00 C +ATOM 270 CG PRO A 18 4.937 4.549 3.376 1.00 0.00 C +ATOM 271 CD PRO A 18 5.775 3.886 2.283 1.00 0.00 C +ATOM 272 HA PRO A 18 2.889 3.069 1.280 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.789 4.750 3.425 1.00 0.00 H +ATOM 274 HB3 PRO A 18 3.390 3.061 3.527 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.989 5.618 3.306 1.00 0.00 H +ATOM 276 HG3 PRO A 18 5.272 4.261 4.373 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.593 4.522 2.003 1.00 0.00 H +ATOM 278 HD3 PRO A 18 6.135 2.918 2.635 1.00 0.00 H +ATOM 279 N PRO A 19 1.706 5.185 0.359 1.00 0.00 N +ATOM 280 CA PRO A 19 1.071 6.373 -0.198 1.00 0.00 C +ATOM 281 C PRO A 19 0.534 7.279 0.922 1.00 0.00 C +ATOM 282 O PRO A 19 0.005 6.793 1.925 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.043 5.831 -1.093 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.475 4.546 -0.383 1.00 0.00 C +ATOM 285 CD PRO A 19 0.817 4.036 0.254 1.00 0.00 C +ATOM 286 HA PRO A 19 1.785 6.932 -0.806 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.857 6.527 -1.157 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.371 5.580 -2.071 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.216 4.752 0.365 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.885 3.819 -1.084 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.616 3.632 1.228 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.276 3.286 -0.389 1.00 0.00 H +ATOM 293 N SER A 20 0.660 8.597 0.722 1.00 0.00 N +ATOM 294 CA SER A 20 0.150 9.654 1.607 1.00 0.00 C +ATOM 295 C SER A 20 -1.110 10.284 1.016 1.00 0.00 C +ATOM 296 O SER A 20 -2.094 10.380 1.786 1.00 0.00 O +ATOM 297 CB SER A 20 1.248 10.701 1.823 1.00 0.00 C +ATOM 298 OG SER A 20 0.910 11.534 2.908 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.067 10.639 -0.179 1.00 0.00 O +ATOM 300 H SER A 20 1.051 8.910 -0.152 1.00 0.00 H +ATOM 301 HA SER A 20 -0.125 9.214 2.563 1.00 0.00 H +ATOM 302 HB2 SER A 20 2.177 10.205 2.031 1.00 0.00 H +ATOM 303 HB3 SER A 20 1.371 11.300 0.918 1.00 0.00 H +ATOM 304 HG SER A 20 0.272 11.069 3.455 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 14 +ATOM 1 N ASN A 1 -6.401 7.662 -1.132 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.275 6.470 -1.269 1.00 0.00 C +ATOM 3 C ASN A 1 -6.573 5.259 -1.924 1.00 0.00 C +ATOM 4 O ASN A 1 -7.244 4.408 -2.495 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.588 6.852 -1.993 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.793 6.163 -1.354 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -9.671 5.136 -0.706 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.977 6.741 -1.450 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.636 7.473 -0.499 1.00 0.00 H +ATOM 10 H2 ASN A 1 -6.040 7.938 -2.035 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.938 8.429 -0.749 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.560 6.149 -0.264 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.722 7.915 -1.937 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.537 6.586 -3.050 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -11.144 7.601 -1.945 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -11.719 6.237 -0.991 1.00 0.00 H +ATOM 17 N LEU A 2 -5.236 5.147 -1.843 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.460 4.057 -2.472 1.00 0.00 C +ATOM 19 C LEU A 2 -3.853 3.067 -1.460 1.00 0.00 C +ATOM 20 O LEU A 2 -3.274 2.048 -1.840 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.389 4.680 -3.399 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.705 4.592 -4.905 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.639 3.147 -5.409 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -5.061 5.208 -5.270 1.00 0.00 C +ATOM 25 H LEU A 2 -4.672 5.849 -1.391 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.127 3.449 -3.079 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.286 5.716 -3.140 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.429 4.188 -3.232 1.00 0.00 H +ATOM 29 HG LEU A 2 -2.935 5.159 -5.430 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -2.666 2.717 -5.172 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -4.417 2.537 -4.955 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.774 3.127 -6.492 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -5.877 4.592 -4.894 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.138 6.211 -4.856 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -5.148 5.268 -6.356 1.00 0.00 H +ATOM 36 N TYR A 3 -4.027 3.341 -0.163 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.458 2.567 0.937 1.00 0.00 C +ATOM 38 C TYR A 3 -3.944 1.109 0.964 1.00 0.00 C +ATOM 39 O TYR A 3 -3.174 0.216 1.296 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.759 3.287 2.260 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.564 3.330 3.186 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.297 2.234 4.021 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.713 4.454 3.196 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.182 2.255 4.876 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.605 4.489 4.064 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.339 3.386 4.907 1.00 0.00 C +ATOM 47 OH TYR A 3 0.697 3.407 5.788 1.00 0.00 O +ATOM 48 H TYR A 3 -4.543 4.171 0.073 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.375 2.545 0.801 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.061 4.293 2.042 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.593 2.797 2.766 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -2.954 1.378 4.007 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.904 5.298 2.546 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -0.969 1.423 5.532 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.032 5.362 4.078 1.00 0.00 H +ATOM 56 HH TYR A 3 0.695 4.212 6.308 1.00 0.00 H +ATOM 57 N ILE A 4 -5.199 0.862 0.556 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.795 -0.478 0.440 1.00 0.00 C +ATOM 59 C ILE A 4 -4.969 -1.337 -0.529 1.00 0.00 C +ATOM 60 O ILE A 4 -4.571 -2.450 -0.193 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.277 -0.384 -0.008 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.120 0.501 0.945 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.894 -1.795 -0.096 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.475 0.918 0.356 1.00 0.00 C +ATOM 65 H ILE A 4 -5.761 1.657 0.298 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.759 -0.960 1.418 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.306 0.064 -1.002 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.297 -0.048 1.850 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.586 1.423 1.167 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.385 -2.392 -0.852 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.817 -2.302 0.867 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.945 -1.739 -0.379 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -9.330 1.364 -0.631 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -10.141 0.060 0.274 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.939 1.657 1.008 1.00 0.00 H +ATOM 76 N GLN A 5 -4.685 -0.803 -1.722 1.00 0.00 N +ATOM 77 CA GLN A 5 -3.904 -1.463 -2.769 1.00 0.00 C +ATOM 78 C GLN A 5 -2.453 -1.702 -2.326 1.00 0.00 C +ATOM 79 O GLN A 5 -1.920 -2.790 -2.539 1.00 0.00 O +ATOM 80 CB GLN A 5 -3.995 -0.617 -4.058 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.421 -1.431 -5.294 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.350 -0.621 -6.194 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.942 0.305 -6.876 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.636 -0.921 -6.208 1.00 0.00 N +ATOM 85 H GLN A 5 -4.991 0.144 -1.894 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.348 -2.442 -2.942 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.713 0.165 -3.902 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.039 -0.132 -4.264 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -3.546 -1.706 -5.851 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -4.941 -2.342 -4.994 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.025 -1.675 -5.669 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -7.188 -0.340 -6.815 1.00 0.00 H +ATOM 93 N TRP A 6 -1.834 -0.719 -1.658 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.498 -0.859 -1.070 1.00 0.00 C +ATOM 95 C TRP A 6 -0.433 -1.932 0.032 1.00 0.00 C +ATOM 96 O TRP A 6 0.497 -2.744 0.055 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.042 0.505 -0.544 1.00 0.00 C +ATOM 98 CG TRP A 6 1.340 0.516 0.026 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.480 0.543 -0.699 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.754 0.502 1.428 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.565 0.518 0.155 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.179 0.507 1.471 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.081 0.494 2.669 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.905 0.515 2.669 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.798 0.487 3.882 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.205 0.501 3.885 1.00 0.00 C +ATOM 107 H TRP A 6 -2.329 0.162 -1.554 1.00 0.00 H +ATOM 108 HA TRP A 6 0.193 -1.170 -1.855 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.076 1.206 -1.355 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.737 0.847 0.222 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.524 0.581 -1.779 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.549 0.548 -0.121 1.00 0.00 H +ATOM 113 HE3 TRP A 6 0.001 0.500 2.681 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.985 0.520 2.640 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.267 0.489 4.823 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.747 0.509 4.821 1.00 0.00 H +ATOM 117 N LEU A 7 -1.429 -1.970 0.928 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.563 -3.019 1.940 1.00 0.00 C +ATOM 119 C LEU A 7 -1.832 -4.398 1.325 1.00 0.00 C +ATOM 120 O LEU A 7 -1.302 -5.380 1.840 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.671 -2.661 2.946 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.287 -1.567 3.960 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.511 -1.233 4.821 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.148 -1.999 4.892 1.00 0.00 C +ATOM 125 H LEU A 7 -2.136 -1.238 0.898 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.618 -3.107 2.473 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.527 -2.321 2.395 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.940 -3.558 3.506 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.976 -0.668 3.433 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.316 -0.864 4.185 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.850 -2.123 5.351 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.257 -0.464 5.550 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.377 -2.965 5.340 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.217 -2.069 4.334 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -1.013 -1.260 5.680 1.00 0.00 H +ATOM 136 N LYS A 8 -2.599 -4.488 0.226 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.976 -5.755 -0.427 1.00 0.00 C +ATOM 138 C LYS A 8 -1.777 -6.638 -0.783 1.00 0.00 C +ATOM 139 O LYS A 8 -1.856 -7.858 -0.664 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.803 -5.465 -1.696 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.622 -6.677 -2.165 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.863 -6.886 -1.280 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.602 -8.185 -1.607 1.00 0.00 C +ATOM 144 NZ LYS A 8 -5.801 -9.379 -1.240 1.00 0.00 N +ATOM 145 H LYS A 8 -3.048 -3.631 -0.094 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.571 -6.320 0.286 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.477 -4.656 -1.488 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.125 -5.174 -2.502 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.937 -6.516 -3.178 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -3.995 -7.568 -2.162 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.553 -6.915 -0.253 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.542 -6.046 -1.435 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.527 -8.206 -1.063 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.842 -8.200 -2.674 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -4.958 -9.420 -1.800 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -5.526 -9.332 -0.267 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -6.335 -10.225 -1.388 1.00 0.00 H +ATOM 158 N ASP A 9 -0.693 -6.000 -1.216 1.00 0.00 N +ATOM 159 CA ASP A 9 0.577 -6.608 -1.609 1.00 0.00 C +ATOM 160 C ASP A 9 1.501 -6.893 -0.404 1.00 0.00 C +ATOM 161 O ASP A 9 2.502 -7.590 -0.554 1.00 0.00 O +ATOM 162 CB ASP A 9 1.191 -5.620 -2.609 1.00 0.00 C +ATOM 163 CG ASP A 9 2.246 -6.195 -3.544 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.842 -6.848 -4.529 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.401 -5.726 -3.445 1.00 0.00 O +ATOM 166 H ASP A 9 -0.773 -4.997 -1.309 1.00 0.00 H +ATOM 167 HA ASP A 9 0.386 -7.552 -2.122 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.396 -5.225 -3.212 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.601 -4.770 -2.070 1.00 0.00 H +ATOM 170 N GLY A 10 1.138 -6.413 0.799 1.00 0.00 N +ATOM 171 CA GLY A 10 1.851 -6.634 2.059 1.00 0.00 C +ATOM 172 C GLY A 10 2.515 -5.385 2.659 1.00 0.00 C +ATOM 173 O GLY A 10 3.469 -5.523 3.433 1.00 0.00 O +ATOM 174 H GLY A 10 0.235 -5.953 0.859 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.135 -7.004 2.792 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.606 -7.406 1.922 1.00 0.00 H +ATOM 177 N GLY A 11 2.037 -4.182 2.311 1.00 0.00 N +ATOM 178 CA GLY A 11 2.491 -2.882 2.819 1.00 0.00 C +ATOM 179 C GLY A 11 4.020 -2.705 2.788 1.00 0.00 C +ATOM 180 O GLY A 11 4.574 -2.593 1.694 1.00 0.00 O +ATOM 181 H GLY A 11 1.318 -4.166 1.598 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.060 -2.105 2.191 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.102 -2.739 3.824 1.00 0.00 H +ATOM 184 N PRO A 12 4.730 -2.700 3.937 1.00 0.00 N +ATOM 185 CA PRO A 12 6.196 -2.624 3.971 1.00 0.00 C +ATOM 186 C PRO A 12 6.905 -3.715 3.153 1.00 0.00 C +ATOM 187 O PRO A 12 8.004 -3.490 2.653 1.00 0.00 O +ATOM 188 CB PRO A 12 6.587 -2.742 5.450 1.00 0.00 C +ATOM 189 CG PRO A 12 5.333 -2.306 6.202 1.00 0.00 C +ATOM 190 CD PRO A 12 4.199 -2.770 5.292 1.00 0.00 C +ATOM 191 HA PRO A 12 6.504 -1.647 3.594 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.846 -3.754 5.696 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.442 -2.107 5.689 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.275 -2.782 7.162 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.315 -1.219 6.283 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.915 -3.777 5.531 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.335 -2.119 5.426 1.00 0.00 H +ATOM 198 N SER A 13 6.277 -4.888 3.002 1.00 0.00 N +ATOM 199 CA SER A 13 6.825 -6.021 2.248 1.00 0.00 C +ATOM 200 C SER A 13 6.595 -5.934 0.728 1.00 0.00 C +ATOM 201 O SER A 13 7.075 -6.791 -0.007 1.00 0.00 O +ATOM 202 CB SER A 13 6.342 -7.350 2.853 1.00 0.00 C +ATOM 203 OG SER A 13 4.946 -7.537 2.785 1.00 0.00 O +ATOM 204 H SER A 13 5.343 -4.969 3.391 1.00 0.00 H +ATOM 205 HA SER A 13 7.908 -6.013 2.377 1.00 0.00 H +ATOM 206 HB2 SER A 13 6.816 -8.154 2.324 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.647 -7.388 3.900 1.00 0.00 H +ATOM 208 HG SER A 13 4.461 -6.757 3.136 1.00 0.00 H +ATOM 209 N SER A 14 5.937 -4.870 0.241 1.00 0.00 N +ATOM 210 CA SER A 14 5.582 -4.659 -1.171 1.00 0.00 C +ATOM 211 C SER A 14 6.709 -4.075 -2.046 1.00 0.00 C +ATOM 212 O SER A 14 6.506 -3.867 -3.240 1.00 0.00 O +ATOM 213 CB SER A 14 4.394 -3.697 -1.249 1.00 0.00 C +ATOM 214 OG SER A 14 3.342 -4.095 -0.399 1.00 0.00 O +ATOM 215 H SER A 14 5.543 -4.204 0.899 1.00 0.00 H +ATOM 216 HA SER A 14 5.276 -5.613 -1.607 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.721 -2.717 -0.961 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.025 -3.661 -2.271 1.00 0.00 H +ATOM 219 HG SER A 14 2.975 -3.313 0.029 1.00 0.00 H +ATOM 220 N GLY A 15 7.873 -3.737 -1.470 1.00 0.00 N +ATOM 221 CA GLY A 15 8.999 -3.132 -2.201 1.00 0.00 C +ATOM 222 C GLY A 15 8.848 -1.633 -2.516 1.00 0.00 C +ATOM 223 O GLY A 15 9.535 -1.130 -3.401 1.00 0.00 O +ATOM 224 H GLY A 15 7.986 -3.973 -0.495 1.00 0.00 H +ATOM 225 HA2 GLY A 15 9.912 -3.262 -1.623 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.130 -3.657 -3.149 1.00 0.00 H +ATOM 227 N ARG A 16 7.939 -0.924 -1.830 1.00 0.00 N +ATOM 228 CA ARG A 16 7.559 0.475 -2.105 1.00 0.00 C +ATOM 229 C ARG A 16 7.032 1.175 -0.838 1.00 0.00 C +ATOM 230 O ARG A 16 6.351 0.518 -0.047 1.00 0.00 O +ATOM 231 CB ARG A 16 6.517 0.515 -3.247 1.00 0.00 C +ATOM 232 CG ARG A 16 5.357 -0.489 -3.097 1.00 0.00 C +ATOM 233 CD ARG A 16 4.496 -0.583 -4.360 1.00 0.00 C +ATOM 234 NE ARG A 16 3.700 -1.826 -4.349 1.00 0.00 N +ATOM 235 CZ ARG A 16 3.398 -2.606 -5.380 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.636 -2.252 -6.620 1.00 0.00 N +ATOM 237 NH2 ARG A 16 2.850 -3.774 -5.180 1.00 0.00 N +ATOM 238 H ARG A 16 7.441 -1.405 -1.093 1.00 0.00 H +ATOM 239 HA ARG A 16 8.452 1.000 -2.443 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.101 1.503 -3.285 1.00 0.00 H +ATOM 241 HB3 ARG A 16 7.040 0.296 -4.178 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.766 -1.458 -2.886 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.736 -0.217 -2.247 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.834 0.260 -4.400 1.00 0.00 H +ATOM 245 HD3 ARG A 16 5.162 -0.588 -5.225 1.00 0.00 H +ATOM 246 HE ARG A 16 3.410 -2.188 -3.456 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.099 -1.379 -6.787 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.425 -2.883 -7.370 1.00 0.00 H +ATOM 249 HH21 ARG A 16 3.013 -4.274 -4.292 1.00 0.00 H +ATOM 250 HH22 ARG A 16 2.589 -4.386 -5.930 1.00 0.00 H +ATOM 251 N PRO A 17 7.296 2.484 -0.642 1.00 0.00 N +ATOM 252 CA PRO A 17 6.862 3.230 0.546 1.00 0.00 C +ATOM 253 C PRO A 17 5.336 3.464 0.578 1.00 0.00 C +ATOM 254 O PRO A 17 4.676 3.310 -0.454 1.00 0.00 O +ATOM 255 CB PRO A 17 7.636 4.555 0.478 1.00 0.00 C +ATOM 256 CG PRO A 17 7.830 4.776 -1.020 1.00 0.00 C +ATOM 257 CD PRO A 17 8.034 3.357 -1.545 1.00 0.00 C +ATOM 258 HA PRO A 17 7.157 2.685 1.444 1.00 0.00 H +ATOM 259 HB2 PRO A 17 7.068 5.354 0.914 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.609 4.434 0.956 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.963 5.230 -1.460 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.689 5.414 -1.228 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.651 3.270 -2.543 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.094 3.104 -1.509 1.00 0.00 H +ATOM 265 N PRO A 18 4.762 3.851 1.737 1.00 0.00 N +ATOM 266 CA PRO A 18 3.324 4.085 1.879 1.00 0.00 C +ATOM 267 C PRO A 18 2.832 5.288 1.045 1.00 0.00 C +ATOM 268 O PRO A 18 3.507 6.319 1.003 1.00 0.00 O +ATOM 269 CB PRO A 18 3.085 4.299 3.378 1.00 0.00 C +ATOM 270 CG PRO A 18 4.437 4.766 3.908 1.00 0.00 C +ATOM 271 CD PRO A 18 5.429 4.018 3.023 1.00 0.00 C +ATOM 272 HA PRO A 18 2.803 3.182 1.576 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.333 5.047 3.541 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.823 3.348 3.843 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.548 5.828 3.800 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.568 4.519 4.962 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.330 4.589 2.906 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.634 3.036 3.452 1.00 0.00 H +ATOM 279 N PRO A 19 1.660 5.185 0.385 1.00 0.00 N +ATOM 280 CA PRO A 19 1.102 6.250 -0.443 1.00 0.00 C +ATOM 281 C PRO A 19 0.321 7.283 0.390 1.00 0.00 C +ATOM 282 O PRO A 19 -0.811 7.023 0.804 1.00 0.00 O +ATOM 283 CB PRO A 19 0.206 5.530 -1.455 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.321 4.332 -0.664 1.00 0.00 C +ATOM 285 CD PRO A 19 0.850 3.979 0.253 1.00 0.00 C +ATOM 286 HA PRO A 19 1.900 6.759 -0.984 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.598 6.163 -1.776 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.818 5.174 -2.286 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.190 4.599 -0.094 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.584 3.506 -1.323 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.487 3.671 1.214 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.451 3.202 -0.216 1.00 0.00 H +ATOM 293 N SER A 20 0.922 8.471 0.555 1.00 0.00 N +ATOM 294 CA SER A 20 0.386 9.673 1.224 1.00 0.00 C +ATOM 295 C SER A 20 0.416 9.627 2.763 1.00 0.00 C +ATOM 296 O SER A 20 1.001 8.684 3.339 1.00 0.00 O +ATOM 297 CB SER A 20 -1.018 10.026 0.706 1.00 0.00 C +ATOM 298 OG SER A 20 -1.373 11.233 1.334 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.165 10.594 3.315 1.00 0.00 O +ATOM 300 H SER A 20 1.888 8.511 0.265 1.00 0.00 H +ATOM 301 HA SER A 20 1.034 10.508 0.958 1.00 0.00 H +ATOM 302 HB2 SER A 20 -1.001 10.151 -0.360 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.730 9.255 1.002 1.00 0.00 H +ATOM 304 HG SER A 20 -0.935 11.116 2.254 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 15 +ATOM 1 N ASN A 1 -5.555 8.004 -1.532 1.00 0.00 N +ATOM 2 CA ASN A 1 -6.571 6.932 -1.361 1.00 0.00 C +ATOM 3 C ASN A 1 -6.105 5.544 -1.850 1.00 0.00 C +ATOM 4 O ASN A 1 -6.936 4.715 -2.200 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.897 7.340 -2.038 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.071 6.615 -1.385 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -9.297 6.771 -0.197 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -9.821 5.802 -2.107 1.00 0.00 N +ATOM 9 H1 ASN A 1 -4.747 7.831 -0.949 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.271 8.069 -2.500 1.00 0.00 H +ATOM 11 H3 ASN A 1 -5.951 8.893 -1.252 1.00 0.00 H +ATOM 12 HA ASN A 1 -6.784 6.837 -0.294 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.035 8.399 -1.937 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -7.861 7.128 -3.108 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -9.603 5.565 -3.060 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -10.562 5.348 -1.598 1.00 0.00 H +ATOM 17 N LEU A 2 -4.794 5.254 -1.881 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.259 3.990 -2.422 1.00 0.00 C +ATOM 19 C LEU A 2 -3.783 3.017 -1.328 1.00 0.00 C +ATOM 20 O LEU A 2 -3.304 1.928 -1.638 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.148 4.316 -3.442 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.647 5.049 -4.702 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -2.468 5.586 -5.520 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -4.488 4.133 -5.599 1.00 0.00 C +ATOM 25 H LEU A 2 -4.097 5.917 -1.583 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.044 3.453 -2.954 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -2.418 4.936 -2.958 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.649 3.395 -3.748 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.253 5.904 -4.403 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -1.705 6.004 -4.864 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.024 4.789 -6.119 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -2.821 6.376 -6.183 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -3.921 3.235 -5.845 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.413 3.854 -5.094 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.743 4.655 -6.521 1.00 0.00 H +ATOM 36 N TYR A 3 -3.936 3.389 -0.051 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.430 2.642 1.105 1.00 0.00 C +ATOM 38 C TYR A 3 -3.954 1.198 1.152 1.00 0.00 C +ATOM 39 O TYR A 3 -3.201 0.279 1.464 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.762 3.414 2.395 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.656 3.341 3.430 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.409 2.135 4.112 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.845 4.468 3.678 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.337 2.043 5.019 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.773 4.382 4.586 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.505 3.158 5.243 1.00 0.00 C +ATOM 47 OH TYR A 3 0.567 3.040 6.071 1.00 0.00 O +ATOM 48 H TYR A 3 -4.366 4.282 0.125 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.345 2.592 1.013 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.928 4.444 2.144 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.687 3.030 2.829 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.032 1.273 3.926 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.028 5.403 3.166 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.128 1.119 5.535 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.160 5.252 4.768 1.00 0.00 H +ATOM 56 HH TYR A 3 1.163 3.787 5.994 1.00 0.00 H +ATOM 57 N ILE A 4 -5.227 0.988 0.788 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.849 -0.340 0.711 1.00 0.00 C +ATOM 59 C ILE A 4 -5.125 -1.216 -0.325 1.00 0.00 C +ATOM 60 O ILE A 4 -4.736 -2.340 -0.013 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.369 -0.238 0.414 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.095 0.818 1.288 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.031 -1.608 0.641 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.378 2.119 0.526 1.00 0.00 C +ATOM 65 H ILE A 4 -5.784 1.799 0.563 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.728 -0.819 1.684 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.507 0.023 -0.637 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.027 0.405 1.622 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.505 1.038 2.179 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.517 -2.377 0.069 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.986 -1.872 1.699 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.075 -1.566 0.331 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.483 2.471 0.011 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.168 1.948 -0.207 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.711 2.887 1.226 1.00 0.00 H +ATOM 76 N GLN A 5 -4.916 -0.702 -1.546 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.150 -1.391 -2.590 1.00 0.00 C +ATOM 78 C GLN A 5 -2.691 -1.624 -2.173 1.00 0.00 C +ATOM 79 O GLN A 5 -2.176 -2.721 -2.360 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.230 -0.639 -3.931 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.625 -0.733 -4.579 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.546 -0.884 -6.097 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.814 -1.942 -6.641 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -5.189 0.150 -6.835 1.00 0.00 N +ATOM 85 H GLN A 5 -5.185 0.257 -1.709 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.580 -2.380 -2.738 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -3.999 0.395 -3.760 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.503 -1.090 -4.608 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -6.138 -1.583 -4.173 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.209 0.153 -4.330 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.962 1.049 -6.453 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -5.143 -0.061 -7.818 1.00 0.00 H +ATOM 93 N TRP A 6 -2.038 -0.638 -1.550 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.680 -0.802 -1.023 1.00 0.00 C +ATOM 95 C TRP A 6 -0.581 -1.902 0.052 1.00 0.00 C +ATOM 96 O TRP A 6 0.370 -2.683 0.054 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.182 0.548 -0.505 1.00 0.00 C +ATOM 98 CG TRP A 6 1.217 0.527 0.021 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.341 0.528 -0.734 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.664 0.460 1.409 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.445 0.460 0.092 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.088 0.426 1.419 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.014 0.427 2.664 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.837 0.383 2.600 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.756 0.370 3.860 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.163 0.355 3.831 1.00 0.00 C +ATOM 107 H TRP A 6 -2.505 0.261 -1.452 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.030 -1.112 -1.845 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.227 1.255 -1.311 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.844 0.890 0.290 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.361 0.562 -1.814 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.420 0.464 -0.212 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.065 0.453 2.696 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.916 0.365 2.548 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.242 0.352 4.811 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.723 0.327 4.755 1.00 0.00 H +ATOM 117 N LEU A 7 -1.576 -2.011 0.945 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.649 -3.105 1.914 1.00 0.00 C +ATOM 119 C LEU A 7 -1.882 -4.474 1.254 1.00 0.00 C +ATOM 120 O LEU A 7 -1.265 -5.442 1.698 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.712 -2.809 2.985 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.272 -1.754 4.020 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.470 -1.358 4.888 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.166 -2.267 4.955 1.00 0.00 C +ATOM 125 H LEU A 7 -2.302 -1.297 0.951 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.678 -3.182 2.402 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.598 -2.454 2.494 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.946 -3.732 3.519 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.907 -0.864 3.508 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.258 -0.942 4.261 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.855 -2.232 5.416 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.169 -0.607 5.619 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.504 -3.160 5.481 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.268 -2.501 4.389 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.914 -1.496 5.684 1.00 0.00 H +ATOM 136 N LYS A 8 -2.698 -4.571 0.188 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.920 -5.824 -0.568 1.00 0.00 C +ATOM 138 C LYS A 8 -1.620 -6.483 -1.050 1.00 0.00 C +ATOM 139 O LYS A 8 -1.511 -7.703 -0.966 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.867 -5.590 -1.762 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.354 -5.831 -1.453 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.249 -4.698 -1.982 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.691 -5.177 -2.180 1.00 0.00 C +ATOM 144 NZ LYS A 8 -8.665 -4.079 -1.976 1.00 0.00 N +ATOM 145 H LYS A 8 -3.180 -3.726 -0.103 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.374 -6.556 0.102 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.752 -4.574 -2.087 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.594 -6.271 -2.572 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.657 -6.753 -1.911 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.512 -5.922 -0.377 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.243 -3.889 -1.277 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.872 -4.334 -2.938 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.798 -5.556 -3.178 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.897 -5.991 -1.480 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.685 -3.817 -0.999 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -8.405 -3.272 -2.528 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -9.592 -4.377 -2.248 1.00 0.00 H +ATOM 158 N ASP A 9 -0.639 -5.703 -1.510 1.00 0.00 N +ATOM 159 CA ASP A 9 0.688 -6.202 -1.905 1.00 0.00 C +ATOM 160 C ASP A 9 1.568 -6.674 -0.725 1.00 0.00 C +ATOM 161 O ASP A 9 2.581 -7.332 -0.959 1.00 0.00 O +ATOM 162 CB ASP A 9 1.424 -5.117 -2.708 1.00 0.00 C +ATOM 163 CG ASP A 9 1.030 -5.128 -4.186 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.004 -4.494 -4.518 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.768 -5.764 -4.970 1.00 0.00 O +ATOM 166 H ASP A 9 -0.835 -4.715 -1.632 1.00 0.00 H +ATOM 167 HA ASP A 9 0.559 -7.070 -2.554 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.184 -4.157 -2.293 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.495 -5.299 -2.651 1.00 0.00 H +ATOM 170 N GLY A 10 1.193 -6.382 0.530 1.00 0.00 N +ATOM 171 CA GLY A 10 1.971 -6.722 1.726 1.00 0.00 C +ATOM 172 C GLY A 10 2.536 -5.512 2.484 1.00 0.00 C +ATOM 173 O GLY A 10 3.434 -5.686 3.319 1.00 0.00 O +ATOM 174 H GLY A 10 0.285 -5.945 0.663 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.329 -7.276 2.410 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.805 -7.370 1.457 1.00 0.00 H +ATOM 177 N GLY A 11 2.052 -4.294 2.195 1.00 0.00 N +ATOM 178 CA GLY A 11 2.478 -3.045 2.826 1.00 0.00 C +ATOM 179 C GLY A 11 4.005 -2.879 2.813 1.00 0.00 C +ATOM 180 O GLY A 11 4.582 -2.906 1.721 1.00 0.00 O +ATOM 181 H GLY A 11 1.402 -4.219 1.418 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.046 -2.213 2.270 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.084 -3.016 3.839 1.00 0.00 H +ATOM 184 N PRO A 12 4.692 -2.759 3.973 1.00 0.00 N +ATOM 185 CA PRO A 12 6.152 -2.629 4.039 1.00 0.00 C +ATOM 186 C PRO A 12 6.923 -3.746 3.321 1.00 0.00 C +ATOM 187 O PRO A 12 8.027 -3.514 2.831 1.00 0.00 O +ATOM 188 CB PRO A 12 6.510 -2.622 5.531 1.00 0.00 C +ATOM 189 CG PRO A 12 5.218 -2.200 6.225 1.00 0.00 C +ATOM 190 CD PRO A 12 4.129 -2.762 5.317 1.00 0.00 C +ATOM 191 HA PRO A 12 6.435 -1.671 3.598 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.814 -3.599 5.854 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.322 -1.925 5.744 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.154 -2.624 7.209 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.152 -1.112 6.247 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.874 -3.761 5.613 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.237 -2.141 5.389 1.00 0.00 H +ATOM 198 N SER A 13 6.342 -4.949 3.227 1.00 0.00 N +ATOM 199 CA SER A 13 6.953 -6.108 2.565 1.00 0.00 C +ATOM 200 C SER A 13 6.835 -6.089 1.028 1.00 0.00 C +ATOM 201 O SER A 13 7.310 -7.013 0.372 1.00 0.00 O +ATOM 202 CB SER A 13 6.418 -7.407 3.189 1.00 0.00 C +ATOM 203 OG SER A 13 5.049 -7.646 2.925 1.00 0.00 O +ATOM 204 H SER A 13 5.398 -5.042 3.586 1.00 0.00 H +ATOM 205 HA SER A 13 8.021 -6.087 2.780 1.00 0.00 H +ATOM 206 HB2 SER A 13 6.986 -8.229 2.798 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.570 -7.367 4.269 1.00 0.00 H +ATOM 208 HG SER A 13 4.491 -6.875 3.179 1.00 0.00 H +ATOM 209 N SER A 14 6.261 -5.024 0.445 1.00 0.00 N +ATOM 210 CA SER A 14 5.991 -4.891 -1.000 1.00 0.00 C +ATOM 211 C SER A 14 7.137 -4.279 -1.817 1.00 0.00 C +ATOM 212 O SER A 14 7.039 -4.212 -3.040 1.00 0.00 O +ATOM 213 CB SER A 14 4.767 -3.997 -1.251 1.00 0.00 C +ATOM 214 OG SER A 14 3.740 -4.198 -0.309 1.00 0.00 O +ATOM 215 H SER A 14 5.896 -4.305 1.059 1.00 0.00 H +ATOM 216 HA SER A 14 5.772 -5.881 -1.404 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.077 -2.971 -1.206 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.387 -4.198 -2.253 1.00 0.00 H +ATOM 219 HG SER A 14 3.989 -3.688 0.498 1.00 0.00 H +ATOM 220 N GLY A 15 8.190 -3.753 -1.173 1.00 0.00 N +ATOM 221 CA GLY A 15 9.278 -3.048 -1.864 1.00 0.00 C +ATOM 222 C GLY A 15 8.923 -1.636 -2.363 1.00 0.00 C +ATOM 223 O GLY A 15 9.597 -1.125 -3.256 1.00 0.00 O +ATOM 224 H GLY A 15 8.230 -3.874 -0.169 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.132 -2.963 -1.193 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.593 -3.638 -2.728 1.00 0.00 H +ATOM 227 N ARG A 16 7.874 -1.002 -1.812 1.00 0.00 N +ATOM 228 CA ARG A 16 7.382 0.330 -2.201 1.00 0.00 C +ATOM 229 C ARG A 16 6.915 1.120 -0.964 1.00 0.00 C +ATOM 230 O ARG A 16 6.231 0.524 -0.128 1.00 0.00 O +ATOM 231 CB ARG A 16 6.224 0.134 -3.199 1.00 0.00 C +ATOM 232 CG ARG A 16 5.717 1.452 -3.807 1.00 0.00 C +ATOM 233 CD ARG A 16 4.513 1.235 -4.737 1.00 0.00 C +ATOM 234 NE ARG A 16 4.760 1.773 -6.087 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.414 1.176 -7.078 1.00 0.00 C +ATOM 236 NH1 ARG A 16 5.904 -0.036 -6.958 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.592 1.801 -8.218 1.00 0.00 N +ATOM 238 H ARG A 16 7.386 -1.480 -1.068 1.00 0.00 H +ATOM 239 HA ARG A 16 8.193 0.866 -2.695 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.564 -0.500 -3.995 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.397 -0.368 -2.693 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.425 2.110 -3.011 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.533 1.921 -4.356 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.318 0.183 -4.813 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.650 1.750 -4.307 1.00 0.00 H +ATOM 246 HE ARG A 16 4.417 2.701 -6.269 1.00 0.00 H +ATOM 247 HH11 ARG A 16 5.763 -0.524 -6.091 1.00 0.00 H +ATOM 248 HH12 ARG A 16 6.395 -0.483 -7.711 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.241 2.733 -8.353 1.00 0.00 H +ATOM 250 HH22 ARG A 16 6.087 1.345 -8.963 1.00 0.00 H +ATOM 251 N PRO A 17 7.201 2.434 -0.845 1.00 0.00 N +ATOM 252 CA PRO A 17 6.709 3.260 0.266 1.00 0.00 C +ATOM 253 C PRO A 17 5.174 3.417 0.252 1.00 0.00 C +ATOM 254 O PRO A 17 4.553 3.245 -0.801 1.00 0.00 O +ATOM 255 CB PRO A 17 7.409 4.616 0.102 1.00 0.00 C +ATOM 256 CG PRO A 17 7.686 4.697 -1.397 1.00 0.00 C +ATOM 257 CD PRO A 17 7.996 3.247 -1.757 1.00 0.00 C +ATOM 258 HA PRO A 17 7.014 2.807 1.209 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.770 5.418 0.418 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.355 4.606 0.646 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.826 5.053 -1.931 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.523 5.360 -1.621 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.719 3.047 -2.774 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.056 3.045 -1.589 1.00 0.00 H +ATOM 265 N PRO A 18 4.551 3.769 1.395 1.00 0.00 N +ATOM 266 CA PRO A 18 3.107 3.972 1.479 1.00 0.00 C +ATOM 267 C PRO A 18 2.667 5.246 0.736 1.00 0.00 C +ATOM 268 O PRO A 18 3.406 6.231 0.715 1.00 0.00 O +ATOM 269 CB PRO A 18 2.790 4.070 2.975 1.00 0.00 C +ATOM 270 CG PRO A 18 4.088 4.608 3.577 1.00 0.00 C +ATOM 271 CD PRO A 18 5.169 3.986 2.696 1.00 0.00 C +ATOM 272 HA PRO A 18 2.605 3.104 1.061 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.976 4.746 3.152 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.591 3.076 3.371 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.120 5.679 3.526 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.200 4.315 4.621 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.005 4.652 2.605 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.478 3.028 3.113 1.00 0.00 H +ATOM 279 N PRO A 19 1.453 5.261 0.157 1.00 0.00 N +ATOM 280 CA PRO A 19 0.895 6.437 -0.497 1.00 0.00 C +ATOM 281 C PRO A 19 0.313 7.426 0.527 1.00 0.00 C +ATOM 282 O PRO A 19 -0.289 7.024 1.526 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.191 5.879 -1.419 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.709 4.662 -0.648 1.00 0.00 C +ATOM 285 CD PRO A 19 0.528 4.140 0.072 1.00 0.00 C +ATOM 286 HA PRO A 19 1.661 6.937 -1.093 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.972 6.598 -1.574 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.264 5.549 -2.354 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.469 4.948 0.054 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.113 3.904 -1.316 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.269 3.796 1.055 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.983 3.342 -0.516 1.00 0.00 H +ATOM 293 N SER A 20 0.435 8.721 0.221 1.00 0.00 N +ATOM 294 CA SER A 20 -0.096 9.858 0.986 1.00 0.00 C +ATOM 295 C SER A 20 -0.738 10.863 0.030 1.00 0.00 C +ATOM 296 O SER A 20 0.078 11.508 -0.677 1.00 0.00 O +ATOM 297 CB SER A 20 1.036 10.515 1.790 1.00 0.00 C +ATOM 298 OG SER A 20 1.921 11.080 0.848 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.985 10.935 0.010 1.00 0.00 O +ATOM 300 H SER A 20 0.966 8.976 -0.599 1.00 0.00 H +ATOM 301 HA SER A 20 -0.871 9.518 1.672 1.00 0.00 H +ATOM 302 HB2 SER A 20 0.640 11.279 2.431 1.00 0.00 H +ATOM 303 HB3 SER A 20 1.548 9.780 2.415 1.00 0.00 H +ATOM 304 HG SER A 20 1.284 11.357 0.104 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 16 +ATOM 1 N ASN A 1 -8.985 3.821 -0.843 1.00 0.00 N +ATOM 2 CA ASN A 1 -8.461 2.997 -1.957 1.00 0.00 C +ATOM 3 C ASN A 1 -6.942 2.892 -1.960 1.00 0.00 C +ATOM 4 O ASN A 1 -6.453 1.798 -1.714 1.00 0.00 O +ATOM 5 CB ASN A 1 -9.056 3.439 -3.298 1.00 0.00 C +ATOM 6 CG ASN A 1 -10.516 3.025 -3.296 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -11.303 3.596 -2.558 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.879 1.968 -3.997 1.00 0.00 N +ATOM 9 H1 ASN A 1 -8.630 3.491 0.044 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.733 4.791 -0.971 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.999 3.760 -0.843 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.800 1.972 -1.795 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.975 4.504 -3.404 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.543 2.956 -4.125 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -10.234 1.458 -4.583 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -11.851 1.711 -3.928 1.00 0.00 H +ATOM 17 N LEU A 2 -6.201 3.988 -2.170 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.729 4.023 -2.199 1.00 0.00 C +ATOM 19 C LEU A 2 -4.037 3.168 -1.116 1.00 0.00 C +ATOM 20 O LEU A 2 -3.314 2.226 -1.445 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.249 5.491 -2.208 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.830 6.411 -1.102 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.744 6.981 -0.191 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -5.610 7.577 -1.716 1.00 0.00 C +ATOM 25 H LEU A 2 -6.656 4.854 -2.419 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.416 3.587 -3.149 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.181 5.487 -2.102 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -4.495 5.911 -3.186 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.519 5.848 -0.473 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -3.233 6.180 0.339 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.013 7.542 -0.773 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.187 7.648 0.549 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -4.940 8.203 -2.305 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -6.406 7.203 -2.358 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -6.050 8.182 -0.924 1.00 0.00 H +ATOM 36 N TYR A 3 -4.276 3.462 0.168 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.662 2.734 1.282 1.00 0.00 C +ATOM 38 C TYR A 3 -4.055 1.248 1.304 1.00 0.00 C +ATOM 39 O TYR A 3 -3.199 0.393 1.521 1.00 0.00 O +ATOM 40 CB TYR A 3 -4.017 3.443 2.599 1.00 0.00 C +ATOM 41 CG TYR A 3 -3.241 2.974 3.819 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -1.832 2.899 3.785 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -3.928 2.662 5.010 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.115 2.469 4.918 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -3.214 2.261 6.153 1.00 0.00 C +ATOM 46 CZ TYR A 3 -1.810 2.142 6.104 1.00 0.00 C +ATOM 47 OH TYR A 3 -1.150 1.670 7.197 1.00 0.00 O +ATOM 48 H TYR A 3 -4.837 4.272 0.378 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.581 2.779 1.145 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.831 4.492 2.471 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -5.087 3.318 2.784 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -1.288 3.179 2.895 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -5.005 2.735 5.060 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -0.037 2.418 4.887 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -3.725 2.015 7.071 1.00 0.00 H +ATOM 56 HH TYR A 3 -0.473 1.035 6.968 1.00 0.00 H +ATOM 57 N ILE A 4 -5.324 0.935 1.003 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.835 -0.433 0.848 1.00 0.00 C +ATOM 59 C ILE A 4 -5.070 -1.165 -0.259 1.00 0.00 C +ATOM 60 O ILE A 4 -4.556 -2.249 -0.010 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.373 -0.454 0.628 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.119 0.069 1.882 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.865 -1.878 0.304 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.406 1.577 1.860 1.00 0.00 C +ATOM 65 H ILE A 4 -5.933 1.699 0.766 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.626 -0.976 1.772 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.639 0.170 -0.222 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.055 -0.451 1.958 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.537 -0.172 2.773 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.467 -2.211 -0.654 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.552 -2.574 1.084 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.953 -1.892 0.229 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.613 2.129 1.361 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.347 1.759 1.338 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.496 1.941 2.884 1.00 0.00 H +ATOM 76 N GLN A 5 -4.953 -0.577 -1.456 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.193 -1.137 -2.578 1.00 0.00 C +ATOM 78 C GLN A 5 -2.737 -1.444 -2.205 1.00 0.00 C +ATOM 79 O GLN A 5 -2.269 -2.544 -2.502 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.275 -0.188 -3.786 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.565 -0.416 -4.589 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.973 0.808 -5.398 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -7.023 1.388 -5.178 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -5.173 1.247 -6.352 1.00 0.00 N +ATOM 85 H GLN A 5 -5.394 0.332 -1.576 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.644 -2.090 -2.855 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.256 0.826 -3.436 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.423 -0.354 -4.446 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.411 -1.237 -5.262 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.383 -0.657 -3.908 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.298 0.808 -6.577 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -5.526 2.044 -6.855 1.00 0.00 H +ATOM 93 N TRP A 6 -2.045 -0.512 -1.537 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.676 -0.717 -1.051 1.00 0.00 C +ATOM 95 C TRP A 6 -0.574 -1.823 0.011 1.00 0.00 C +ATOM 96 O TRP A 6 0.277 -2.708 -0.097 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.129 0.610 -0.523 1.00 0.00 C +ATOM 98 CG TRP A 6 1.281 0.547 -0.017 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.388 0.529 -0.785 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.751 0.483 1.369 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.510 0.450 0.021 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.175 0.431 1.351 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.129 0.466 2.636 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.949 0.390 2.518 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.894 0.408 3.818 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.300 0.384 3.763 1.00 0.00 C +ATOM 107 H TRP A 6 -2.501 0.381 -1.357 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.053 -1.031 -1.891 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.167 1.328 -1.319 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.772 0.969 0.281 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.399 0.570 -1.868 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.480 0.455 -0.290 1.00 0.00 H +ATOM 113 HE3 TRP A 6 0.051 0.501 2.690 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 5.027 0.361 2.446 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.403 0.391 4.779 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.881 0.356 4.673 1.00 0.00 H +ATOM 117 N LEU A 7 -1.457 -1.813 1.020 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.515 -2.880 2.022 1.00 0.00 C +ATOM 119 C LEU A 7 -1.825 -4.246 1.392 1.00 0.00 C +ATOM 120 O LEU A 7 -1.201 -5.233 1.781 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.540 -2.533 3.116 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.096 -1.425 4.093 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.250 -1.130 5.052 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.870 -1.826 4.923 1.00 0.00 C +ATOM 125 H LEU A 7 -2.129 -1.050 1.079 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.530 -2.978 2.476 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.444 -2.212 2.636 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.739 -3.435 3.698 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.858 -0.515 3.546 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.089 -0.709 4.497 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.566 -2.044 5.557 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.934 -0.410 5.803 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.062 -2.759 5.451 1.00 0.00 H +ATOM 134 HD22 LEU A 7 0.000 -1.946 4.281 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.647 -1.045 5.648 1.00 0.00 H +ATOM 136 N LYS A 8 -2.718 -4.307 0.394 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.085 -5.532 -0.333 1.00 0.00 C +ATOM 138 C LYS A 8 -1.882 -6.223 -0.984 1.00 0.00 C +ATOM 139 O LYS A 8 -1.848 -7.448 -1.047 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.149 -5.208 -1.398 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.972 -6.445 -1.780 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.913 -6.206 -2.971 1.00 0.00 C +ATOM 143 CE LYS A 8 -5.170 -6.233 -4.317 1.00 0.00 C +ATOM 144 NZ LYS A 8 -4.735 -4.890 -4.767 1.00 0.00 N +ATOM 145 H LYS A 8 -3.216 -3.446 0.170 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.506 -6.236 0.387 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.811 -4.457 -1.010 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.649 -4.799 -2.275 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.296 -7.239 -2.034 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.577 -6.724 -0.915 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.664 -6.972 -2.976 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.467 -5.274 -2.843 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -4.303 -6.857 -4.216 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -5.841 -6.664 -5.066 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -5.540 -4.295 -4.905 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -4.116 -4.470 -4.084 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -4.232 -4.964 -5.642 1.00 0.00 H +ATOM 158 N ASP A 9 -0.902 -5.444 -1.456 1.00 0.00 N +ATOM 159 CA ASP A 9 0.348 -5.945 -2.038 1.00 0.00 C +ATOM 160 C ASP A 9 1.310 -6.525 -0.977 1.00 0.00 C +ATOM 161 O ASP A 9 2.208 -7.294 -1.310 1.00 0.00 O +ATOM 162 CB ASP A 9 1.013 -4.797 -2.817 1.00 0.00 C +ATOM 163 CG ASP A 9 1.703 -5.285 -4.093 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.950 -5.620 -5.038 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.951 -5.273 -4.135 1.00 0.00 O +ATOM 166 H ASP A 9 -1.024 -4.442 -1.395 1.00 0.00 H +ATOM 167 HA ASP A 9 0.107 -6.748 -2.738 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.261 -4.080 -3.084 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.722 -4.274 -2.176 1.00 0.00 H +ATOM 170 N GLY A 10 1.095 -6.194 0.306 1.00 0.00 N +ATOM 171 CA GLY A 10 1.925 -6.595 1.444 1.00 0.00 C +ATOM 172 C GLY A 10 2.500 -5.422 2.247 1.00 0.00 C +ATOM 173 O GLY A 10 3.312 -5.648 3.146 1.00 0.00 O +ATOM 174 H GLY A 10 0.256 -5.661 0.510 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.317 -7.196 2.118 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.758 -7.207 1.101 1.00 0.00 H +ATOM 177 N GLY A 11 2.118 -4.173 1.938 1.00 0.00 N +ATOM 178 CA GLY A 11 2.643 -2.980 2.600 1.00 0.00 C +ATOM 179 C GLY A 11 4.177 -2.920 2.520 1.00 0.00 C +ATOM 180 O GLY A 11 4.704 -2.996 1.404 1.00 0.00 O +ATOM 181 H GLY A 11 1.494 -4.036 1.148 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.239 -2.102 2.100 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.298 -2.976 3.632 1.00 0.00 H +ATOM 184 N PRO A 12 4.917 -2.819 3.647 1.00 0.00 N +ATOM 185 CA PRO A 12 6.382 -2.799 3.646 1.00 0.00 C +ATOM 186 C PRO A 12 7.030 -4.001 2.943 1.00 0.00 C +ATOM 187 O PRO A 12 8.063 -3.835 2.294 1.00 0.00 O +ATOM 188 CB PRO A 12 6.809 -2.746 5.118 1.00 0.00 C +ATOM 189 CG PRO A 12 5.582 -2.203 5.844 1.00 0.00 C +ATOM 190 CD PRO A 12 4.419 -2.739 5.012 1.00 0.00 C +ATOM 191 HA PRO A 12 6.713 -1.886 3.148 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.061 -3.725 5.477 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.675 -2.096 5.258 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.537 -2.571 6.851 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.587 -1.112 5.807 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.125 -3.710 5.361 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.565 -2.068 5.100 1.00 0.00 H +ATOM 198 N SER A 13 6.415 -5.193 3.014 1.00 0.00 N +ATOM 199 CA SER A 13 6.932 -6.420 2.383 1.00 0.00 C +ATOM 200 C SER A 13 7.055 -6.302 0.860 1.00 0.00 C +ATOM 201 O SER A 13 7.865 -6.999 0.255 1.00 0.00 O +ATOM 202 CB SER A 13 6.032 -7.613 2.710 1.00 0.00 C +ATOM 203 OG SER A 13 5.997 -7.832 4.106 1.00 0.00 O +ATOM 204 H SER A 13 5.544 -5.278 3.527 1.00 0.00 H +ATOM 205 HA SER A 13 7.927 -6.625 2.782 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.038 -7.414 2.358 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.424 -8.504 2.218 1.00 0.00 H +ATOM 208 HG SER A 13 5.429 -8.585 4.283 1.00 0.00 H +ATOM 209 N SER A 14 6.287 -5.390 0.254 1.00 0.00 N +ATOM 210 CA SER A 14 6.322 -5.050 -1.172 1.00 0.00 C +ATOM 211 C SER A 14 7.593 -4.289 -1.582 1.00 0.00 C +ATOM 212 O SER A 14 7.834 -4.108 -2.773 1.00 0.00 O +ATOM 213 CB SER A 14 5.101 -4.192 -1.567 1.00 0.00 C +ATOM 214 OG SER A 14 4.017 -4.292 -0.662 1.00 0.00 O +ATOM 215 H SER A 14 5.633 -4.881 0.831 1.00 0.00 H +ATOM 216 HA SER A 14 6.280 -5.977 -1.745 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.409 -3.165 -1.614 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.775 -4.489 -2.563 1.00 0.00 H +ATOM 219 HG SER A 14 4.222 -3.726 0.121 1.00 0.00 H +ATOM 220 N GLY A 15 8.386 -3.785 -0.622 1.00 0.00 N +ATOM 221 CA GLY A 15 9.603 -3.011 -0.885 1.00 0.00 C +ATOM 222 C GLY A 15 9.362 -1.593 -1.427 1.00 0.00 C +ATOM 223 O GLY A 15 10.306 -0.952 -1.881 1.00 0.00 O +ATOM 224 H GLY A 15 8.154 -3.973 0.353 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.169 -2.923 0.042 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.220 -3.549 -1.606 1.00 0.00 H +ATOM 227 N ARG A 16 8.117 -1.096 -1.381 1.00 0.00 N +ATOM 228 CA ARG A 16 7.691 0.212 -1.899 1.00 0.00 C +ATOM 229 C ARG A 16 7.091 1.060 -0.764 1.00 0.00 C +ATOM 230 O ARG A 16 6.300 0.516 0.009 1.00 0.00 O +ATOM 231 CB ARG A 16 6.671 -0.025 -3.030 1.00 0.00 C +ATOM 232 CG ARG A 16 6.236 1.275 -3.721 1.00 0.00 C +ATOM 233 CD ARG A 16 5.149 1.034 -4.770 1.00 0.00 C +ATOM 234 NE ARG A 16 4.730 2.310 -5.382 1.00 0.00 N +ATOM 235 CZ ARG A 16 3.684 2.515 -6.172 1.00 0.00 C +ATOM 236 NH1 ARG A 16 2.874 1.539 -6.511 1.00 0.00 N +ATOM 237 NH2 ARG A 16 3.433 3.717 -6.637 1.00 0.00 N +ATOM 238 H ARG A 16 7.418 -1.684 -0.950 1.00 0.00 H +ATOM 239 HA ARG A 16 8.564 0.718 -2.312 1.00 0.00 H +ATOM 240 HB2 ARG A 16 7.115 -0.671 -3.763 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.791 -0.523 -2.617 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.857 1.951 -2.979 1.00 0.00 H +ATOM 243 HG3 ARG A 16 7.100 1.731 -4.204 1.00 0.00 H +ATOM 244 HD2 ARG A 16 5.533 0.385 -5.534 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.293 0.562 -4.283 1.00 0.00 H +ATOM 246 HE ARG A 16 5.293 3.114 -5.162 1.00 0.00 H +ATOM 247 HH11 ARG A 16 3.073 0.618 -6.161 1.00 0.00 H +ATOM 248 HH12 ARG A 16 2.086 1.696 -7.110 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.029 4.490 -6.397 1.00 0.00 H +ATOM 250 HH22 ARG A 16 2.642 3.867 -7.235 1.00 0.00 H +ATOM 251 N PRO A 17 7.386 2.375 -0.671 1.00 0.00 N +ATOM 252 CA PRO A 17 6.796 3.253 0.346 1.00 0.00 C +ATOM 253 C PRO A 17 5.267 3.389 0.203 1.00 0.00 C +ATOM 254 O PRO A 17 4.733 3.160 -0.887 1.00 0.00 O +ATOM 255 CB PRO A 17 7.495 4.609 0.170 1.00 0.00 C +ATOM 256 CG PRO A 17 7.932 4.600 -1.293 1.00 0.00 C +ATOM 257 CD PRO A 17 8.291 3.135 -1.522 1.00 0.00 C +ATOM 258 HA PRO A 17 7.029 2.854 1.334 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.817 5.418 0.362 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.375 4.651 0.813 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.132 4.909 -1.938 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.783 5.259 -1.469 1.00 0.00 H +ATOM 263 HD2 PRO A 17 8.148 2.870 -2.552 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.319 2.954 -1.207 1.00 0.00 H +ATOM 265 N PRO A 18 4.555 3.783 1.280 1.00 0.00 N +ATOM 266 CA PRO A 18 3.107 3.955 1.251 1.00 0.00 C +ATOM 267 C PRO A 18 2.677 5.165 0.399 1.00 0.00 C +ATOM 268 O PRO A 18 3.440 6.118 0.240 1.00 0.00 O +ATOM 269 CB PRO A 18 2.682 4.114 2.714 1.00 0.00 C +ATOM 270 CG PRO A 18 3.920 4.702 3.385 1.00 0.00 C +ATOM 271 CD PRO A 18 5.071 4.058 2.612 1.00 0.00 C +ATOM 272 HA PRO A 18 2.660 3.050 0.846 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.846 4.781 2.800 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.472 3.133 3.140 1.00 0.00 H +ATOM 275 HG2 PRO A 18 3.940 5.770 3.288 1.00 0.00 H +ATOM 276 HG3 PRO A 18 3.960 4.460 4.446 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.906 4.730 2.557 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.353 3.118 3.092 1.00 0.00 H +ATOM 279 N PRO A 19 1.446 5.145 -0.145 1.00 0.00 N +ATOM 280 CA PRO A 19 0.886 6.247 -0.912 1.00 0.00 C +ATOM 281 C PRO A 19 0.347 7.353 0.009 1.00 0.00 C +ATOM 282 O PRO A 19 -0.657 7.156 0.691 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.216 5.613 -1.764 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.713 4.453 -0.902 1.00 0.00 C +ATOM 285 CD PRO A 19 0.539 4.007 -0.154 1.00 0.00 C +ATOM 286 HA PRO A 19 1.645 6.666 -1.575 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.005 6.315 -1.954 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.222 5.216 -2.681 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.473 4.780 -0.218 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.118 3.650 -1.516 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.289 3.725 0.851 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.012 3.193 -0.700 1.00 0.00 H +ATOM 293 N SER A 20 0.994 8.526 -0.049 1.00 0.00 N +ATOM 294 CA SER A 20 0.653 9.774 0.659 1.00 0.00 C +ATOM 295 C SER A 20 0.918 9.764 2.177 1.00 0.00 C +ATOM 296 O SER A 20 0.442 10.754 2.789 1.00 0.00 O +ATOM 297 CB SER A 20 -0.786 10.208 0.336 1.00 0.00 C +ATOM 298 OG SER A 20 -0.959 11.455 0.965 1.00 0.00 O +ATOM 299 OXT SER A 20 1.603 8.846 2.675 1.00 0.00 O +ATOM 300 H SER A 20 1.867 8.518 -0.553 1.00 0.00 H +ATOM 301 HA SER A 20 1.307 10.553 0.271 1.00 0.00 H +ATOM 302 HB2 SER A 20 -0.919 10.302 -0.725 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.495 9.494 0.758 1.00 0.00 H +ATOM 304 HG SER A 20 -0.420 11.315 1.824 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 17 +ATOM 1 N ASN A 1 -8.598 5.262 -0.292 1.00 0.00 N +ATOM 2 CA ASN A 1 -8.658 3.999 -1.068 1.00 0.00 C +ATOM 3 C ASN A 1 -7.282 3.479 -1.479 1.00 0.00 C +ATOM 4 O ASN A 1 -7.038 2.293 -1.290 1.00 0.00 O +ATOM 5 CB ASN A 1 -9.633 4.090 -2.256 1.00 0.00 C +ATOM 6 CG ASN A 1 -11.034 3.705 -1.797 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -11.203 2.706 -1.121 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -12.056 4.485 -2.091 1.00 0.00 N +ATOM 9 H1 ASN A 1 -7.871 5.210 0.409 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.409 6.043 -0.906 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.483 5.425 0.171 1.00 0.00 H +ATOM 12 HA ASN A 1 -9.048 3.224 -0.405 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -9.644 5.095 -2.633 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -9.339 3.378 -3.028 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -11.996 5.318 -2.653 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -12.946 4.132 -1.770 1.00 0.00 H +ATOM 17 N LEU A 2 -6.367 4.322 -1.982 1.00 0.00 N +ATOM 18 CA LEU A 2 -5.025 3.900 -2.419 1.00 0.00 C +ATOM 19 C LEU A 2 -4.243 3.096 -1.364 1.00 0.00 C +ATOM 20 O LEU A 2 -3.570 2.120 -1.698 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.224 5.145 -2.840 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.672 5.767 -4.178 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.897 7.063 -4.418 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -4.426 4.814 -5.354 1.00 0.00 C +ATOM 25 H LEU A 2 -6.595 5.288 -2.162 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.133 3.236 -3.278 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.329 5.887 -2.073 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.170 4.876 -2.925 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.734 6.008 -4.131 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.056 7.754 -3.588 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.832 6.853 -4.509 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.248 7.538 -5.334 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -3.421 4.393 -5.292 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.156 4.005 -5.345 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.526 5.349 -6.297 1.00 0.00 H +ATOM 36 N TYR A 3 -4.383 3.462 -0.084 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.757 2.758 1.034 1.00 0.00 C +ATOM 38 C TYR A 3 -4.175 1.279 1.120 1.00 0.00 C +ATOM 39 O TYR A 3 -3.350 0.425 1.441 1.00 0.00 O +ATOM 40 CB TYR A 3 -4.083 3.494 2.342 1.00 0.00 C +ATOM 41 CG TYR A 3 -3.021 3.296 3.403 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -1.860 4.092 3.363 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -3.175 2.317 4.405 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -0.846 3.906 4.317 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -2.162 2.132 5.366 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.992 2.923 5.318 1.00 0.00 C +ATOM 47 OH TYR A 3 0.011 2.729 6.217 1.00 0.00 O +ATOM 48 H TYR A 3 -4.910 4.298 0.109 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.678 2.791 0.884 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.169 4.543 2.134 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -5.054 3.166 2.719 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -1.741 4.850 2.600 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -4.067 1.705 4.436 1.00 0.00 H +ATOM 54 HE1 TYR A 3 0.050 4.506 4.296 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -2.281 1.396 6.145 1.00 0.00 H +ATOM 56 HH TYR A 3 -0.092 1.913 6.709 1.00 0.00 H +ATOM 57 N ILE A 4 -5.434 0.963 0.782 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.959 -0.407 0.754 1.00 0.00 C +ATOM 59 C ILE A 4 -5.234 -1.224 -0.323 1.00 0.00 C +ATOM 60 O ILE A 4 -4.791 -2.341 -0.056 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.489 -0.415 0.505 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.287 0.574 1.386 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.084 -1.834 0.645 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -7.998 0.474 2.893 1.00 0.00 C +ATOM 65 H ILE A 4 -6.027 1.699 0.419 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.758 -0.874 1.720 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.652 -0.114 -0.531 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.051 1.571 1.066 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -9.351 0.403 1.219 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.310 -2.600 0.624 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -8.633 -1.940 1.582 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.777 -2.015 -0.176 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.679 -0.532 3.164 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -7.214 1.179 3.165 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.902 0.718 3.451 1.00 0.00 H +ATOM 76 N GLN A 5 -5.082 -0.658 -1.529 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.322 -1.281 -2.612 1.00 0.00 C +ATOM 78 C GLN A 5 -2.862 -1.527 -2.213 1.00 0.00 C +ATOM 79 O GLN A 5 -2.351 -2.625 -2.425 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.396 -0.435 -3.898 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.293 -1.073 -4.971 1.00 0.00 C +ATOM 82 CD GLN A 5 -4.805 -0.728 -6.375 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.736 0.424 -6.768 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -4.436 -1.716 -7.169 1.00 0.00 N +ATOM 85 H GLN A 5 -5.436 0.282 -1.657 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.757 -2.263 -2.799 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.789 0.532 -3.651 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.390 -0.336 -4.310 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.281 -2.139 -4.848 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.316 -0.718 -4.849 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.461 -2.680 -6.883 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -4.101 -1.424 -8.072 1.00 0.00 H +ATOM 93 N TRP A 6 -2.207 -0.530 -1.604 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.837 -0.672 -1.104 1.00 0.00 C +ATOM 95 C TRP A 6 -0.705 -1.777 -0.043 1.00 0.00 C +ATOM 96 O TRP A 6 0.217 -2.593 -0.114 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.347 0.675 -0.564 1.00 0.00 C +ATOM 98 CG TRP A 6 1.007 0.616 0.072 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.190 0.555 -0.580 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.332 0.576 1.493 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.222 0.465 0.337 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.749 0.489 1.629 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.572 0.607 2.680 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.387 0.464 2.876 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.201 0.554 3.937 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.602 0.496 4.040 1.00 0.00 C +ATOM 107 H TRP A 6 -2.687 0.361 -1.494 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.192 -0.960 -1.936 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.308 1.372 -1.379 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -1.057 1.038 0.178 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.302 0.568 -1.656 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.213 0.428 0.099 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.505 0.677 2.615 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.464 0.415 2.929 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 0.600 0.564 4.832 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.067 0.481 5.014 1.00 0.00 H +ATOM 117 N LEU A 7 -1.635 -1.843 0.921 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.657 -2.918 1.915 1.00 0.00 C +ATOM 119 C LEU A 7 -1.850 -4.300 1.279 1.00 0.00 C +ATOM 120 O LEU A 7 -1.189 -5.245 1.705 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.734 -2.654 2.978 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.362 -1.573 4.010 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.534 -1.401 4.981 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.117 -1.940 4.827 1.00 0.00 C +ATOM 125 H LEU A 7 -2.351 -1.119 0.959 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.679 -2.957 2.392 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.631 -2.344 2.477 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.923 -3.583 3.518 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.187 -0.627 3.506 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.451 -1.204 4.427 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.657 -2.303 5.579 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.341 -0.562 5.647 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.237 -2.927 5.274 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.232 -1.942 4.191 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.962 -1.204 5.615 1.00 0.00 H +ATOM 136 N LYS A 8 -2.693 -4.415 0.243 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.927 -5.668 -0.497 1.00 0.00 C +ATOM 138 C LYS A 8 -1.653 -6.277 -1.088 1.00 0.00 C +ATOM 139 O LYS A 8 -1.528 -7.496 -1.107 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.973 -5.432 -1.602 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.211 -6.326 -1.434 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.475 -5.580 -1.872 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.711 -6.420 -1.540 1.00 0.00 C +ATOM 144 NZ LYS A 8 -8.949 -5.755 -2.006 1.00 0.00 N +ATOM 145 H LYS A 8 -3.216 -3.585 -0.025 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.295 -6.407 0.215 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.282 -4.405 -1.571 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.535 -5.617 -2.585 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.095 -7.207 -2.035 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.330 -6.615 -0.390 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.532 -4.641 -1.355 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.425 -5.375 -2.942 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.625 -7.376 -2.020 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.744 -6.556 -0.456 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.883 -4.758 -1.855 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -9.086 -5.926 -2.995 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -9.750 -6.109 -1.500 1.00 0.00 H +ATOM 158 N ASP A 9 -0.716 -5.437 -1.534 1.00 0.00 N +ATOM 159 CA ASP A 9 0.596 -5.859 -2.042 1.00 0.00 C +ATOM 160 C ASP A 9 1.481 -6.488 -0.941 1.00 0.00 C +ATOM 161 O ASP A 9 2.363 -7.284 -1.255 1.00 0.00 O +ATOM 162 CB ASP A 9 1.292 -4.644 -2.692 1.00 0.00 C +ATOM 163 CG ASP A 9 2.005 -4.972 -4.012 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.283 -5.311 -4.975 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.245 -4.797 -4.077 1.00 0.00 O +ATOM 166 H ASP A 9 -0.933 -4.447 -1.525 1.00 0.00 H +ATOM 167 HA ASP A 9 0.434 -6.621 -2.808 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.551 -3.893 -2.885 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.002 -4.208 -1.987 1.00 0.00 H +ATOM 170 N GLY A 10 1.219 -6.165 0.339 1.00 0.00 N +ATOM 171 CA GLY A 10 2.000 -6.593 1.510 1.00 0.00 C +ATOM 172 C GLY A 10 2.552 -5.441 2.368 1.00 0.00 C +ATOM 173 O GLY A 10 3.421 -5.669 3.222 1.00 0.00 O +ATOM 174 H GLY A 10 0.387 -5.611 0.509 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.359 -7.205 2.144 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.843 -7.202 1.190 1.00 0.00 H +ATOM 177 N GLY A 11 2.100 -4.200 2.127 1.00 0.00 N +ATOM 178 CA GLY A 11 2.565 -3.016 2.844 1.00 0.00 C +ATOM 179 C GLY A 11 4.085 -2.823 2.696 1.00 0.00 C +ATOM 180 O GLY A 11 4.601 -2.976 1.581 1.00 0.00 O +ATOM 181 H GLY A 11 1.469 -4.062 1.347 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.060 -2.134 2.448 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.283 -3.131 3.889 1.00 0.00 H +ATOM 184 N PRO A 12 4.824 -2.520 3.787 1.00 0.00 N +ATOM 185 CA PRO A 12 6.277 -2.307 3.754 1.00 0.00 C +ATOM 186 C PRO A 12 7.081 -3.495 3.201 1.00 0.00 C +ATOM 187 O PRO A 12 8.203 -3.312 2.737 1.00 0.00 O +ATOM 188 CB PRO A 12 6.699 -2.018 5.204 1.00 0.00 C +ATOM 189 CG PRO A 12 5.406 -1.656 5.929 1.00 0.00 C +ATOM 190 CD PRO A 12 4.342 -2.429 5.160 1.00 0.00 C +ATOM 191 HA PRO A 12 6.486 -1.429 3.142 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.148 -2.886 5.646 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.420 -1.199 5.254 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.441 -1.968 6.955 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.218 -0.586 5.838 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.219 -3.410 5.578 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.387 -1.911 5.231 1.00 0.00 H +ATOM 198 N SER A 13 6.509 -4.707 3.214 1.00 0.00 N +ATOM 199 CA SER A 13 7.159 -5.950 2.773 1.00 0.00 C +ATOM 200 C SER A 13 7.030 -6.225 1.263 1.00 0.00 C +ATOM 201 O SER A 13 7.213 -7.355 0.818 1.00 0.00 O +ATOM 202 CB SER A 13 6.698 -7.124 3.649 1.00 0.00 C +ATOM 203 OG SER A 13 5.331 -7.475 3.506 1.00 0.00 O +ATOM 204 H SER A 13 5.551 -4.762 3.529 1.00 0.00 H +ATOM 205 HA SER A 13 8.229 -5.841 2.949 1.00 0.00 H +ATOM 206 HB2 SER A 13 7.291 -7.982 3.396 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.899 -6.873 4.691 1.00 0.00 H +ATOM 208 HG SER A 13 4.725 -6.704 3.495 1.00 0.00 H +ATOM 209 N SER A 14 6.763 -5.177 0.472 1.00 0.00 N +ATOM 210 CA SER A 14 6.427 -5.256 -0.961 1.00 0.00 C +ATOM 211 C SER A 14 7.393 -4.454 -1.849 1.00 0.00 C +ATOM 212 O SER A 14 7.103 -4.203 -3.018 1.00 0.00 O +ATOM 213 CB SER A 14 4.966 -4.835 -1.209 1.00 0.00 C +ATOM 214 OG SER A 14 4.155 -4.935 -0.060 1.00 0.00 O +ATOM 215 H SER A 14 6.628 -4.294 0.943 1.00 0.00 H +ATOM 216 HA SER A 14 6.505 -6.297 -1.276 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.957 -3.816 -1.545 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.553 -5.447 -2.010 1.00 0.00 H +ATOM 219 HG SER A 14 4.335 -4.165 0.528 1.00 0.00 H +ATOM 220 N GLY A 15 8.524 -3.999 -1.288 1.00 0.00 N +ATOM 221 CA GLY A 15 9.526 -3.183 -1.983 1.00 0.00 C +ATOM 222 C GLY A 15 9.030 -1.786 -2.384 1.00 0.00 C +ATOM 223 O GLY A 15 9.571 -1.198 -3.319 1.00 0.00 O +ATOM 224 H GLY A 15 8.702 -4.280 -0.334 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.392 -3.054 -1.335 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.855 -3.702 -2.884 1.00 0.00 H +ATOM 227 N ARG A 16 7.999 -1.262 -1.701 1.00 0.00 N +ATOM 228 CA ARG A 16 7.349 0.019 -2.007 1.00 0.00 C +ATOM 229 C ARG A 16 6.893 0.760 -0.731 1.00 0.00 C +ATOM 230 O ARG A 16 6.219 0.163 0.112 1.00 0.00 O +ATOM 231 CB ARG A 16 6.178 -0.191 -2.987 1.00 0.00 C +ATOM 232 CG ARG A 16 5.135 -1.203 -2.490 1.00 0.00 C +ATOM 233 CD ARG A 16 3.984 -1.428 -3.468 1.00 0.00 C +ATOM 234 NE ARG A 16 4.422 -2.198 -4.644 1.00 0.00 N +ATOM 235 CZ ARG A 16 3.985 -2.079 -5.889 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.095 -1.174 -6.226 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.443 -2.867 -6.829 1.00 0.00 N +ATOM 238 H ARG A 16 7.637 -1.808 -0.931 1.00 0.00 H +ATOM 239 HA ARG A 16 8.087 0.627 -2.526 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.690 0.752 -3.140 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.587 -0.548 -3.935 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.627 -2.142 -2.323 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.707 -0.869 -1.550 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.202 -1.967 -2.969 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.580 -0.460 -3.754 1.00 0.00 H +ATOM 246 HE ARG A 16 4.950 -3.039 -4.447 1.00 0.00 H +ATOM 247 HH11 ARG A 16 2.699 -0.623 -5.487 1.00 0.00 H +ATOM 248 HH12 ARG A 16 2.736 -1.119 -7.160 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.052 -3.623 -6.563 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.097 -2.799 -7.766 1.00 0.00 H +ATOM 251 N PRO A 17 7.222 2.058 -0.583 1.00 0.00 N +ATOM 252 CA PRO A 17 6.818 2.862 0.570 1.00 0.00 C +ATOM 253 C PRO A 17 5.308 3.175 0.566 1.00 0.00 C +ATOM 254 O PRO A 17 4.649 2.986 -0.461 1.00 0.00 O +ATOM 255 CB PRO A 17 7.668 4.136 0.467 1.00 0.00 C +ATOM 256 CG PRO A 17 7.903 4.302 -1.030 1.00 0.00 C +ATOM 257 CD PRO A 17 7.972 2.866 -1.536 1.00 0.00 C +ATOM 258 HA PRO A 17 7.067 2.330 1.490 1.00 0.00 H +ATOM 259 HB2 PRO A 17 7.140 4.980 0.866 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.622 3.973 0.971 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.092 4.833 -1.490 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.828 4.841 -1.235 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.531 2.795 -2.511 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.009 2.530 -1.559 1.00 0.00 H +ATOM 265 N PRO A 18 4.746 3.667 1.690 1.00 0.00 N +ATOM 266 CA PRO A 18 3.331 4.024 1.786 1.00 0.00 C +ATOM 267 C PRO A 18 2.969 5.219 0.879 1.00 0.00 C +ATOM 268 O PRO A 18 3.752 6.167 0.773 1.00 0.00 O +ATOM 269 CB PRO A 18 3.081 4.342 3.265 1.00 0.00 C +ATOM 270 CG PRO A 18 4.457 4.738 3.793 1.00 0.00 C +ATOM 271 CD PRO A 18 5.409 3.874 2.971 1.00 0.00 C +ATOM 272 HA PRO A 18 2.737 3.158 1.511 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.385 5.152 3.369 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.740 3.441 3.778 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.646 5.781 3.629 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.557 4.542 4.860 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.346 4.379 2.831 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.554 2.911 3.463 1.00 0.00 H +ATOM 279 N PRO A 19 1.774 5.216 0.253 1.00 0.00 N +ATOM 280 CA PRO A 19 1.314 6.299 -0.608 1.00 0.00 C +ATOM 281 C PRO A 19 0.874 7.500 0.242 1.00 0.00 C +ATOM 282 O PRO A 19 -0.165 7.445 0.901 1.00 0.00 O +ATOM 283 CB PRO A 19 0.174 5.693 -1.433 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.436 4.648 -0.498 1.00 0.00 C +ATOM 285 CD PRO A 19 0.761 4.170 0.330 1.00 0.00 C +ATOM 286 HA PRO A 19 2.114 6.607 -1.283 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.549 6.442 -1.694 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.591 5.191 -2.307 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.187 5.087 0.130 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.891 3.829 -1.053 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.466 4.016 1.350 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.161 3.257 -0.105 1.00 0.00 H +ATOM 293 N SER A 20 1.692 8.561 0.244 1.00 0.00 N +ATOM 294 CA SER A 20 1.395 9.850 0.892 1.00 0.00 C +ATOM 295 C SER A 20 0.641 10.781 -0.057 1.00 0.00 C +ATOM 296 O SER A 20 1.191 11.035 -1.153 1.00 0.00 O +ATOM 297 CB SER A 20 2.675 10.542 1.362 1.00 0.00 C +ATOM 298 OG SER A 20 3.385 9.705 2.254 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.453 11.237 0.341 1.00 0.00 O +ATOM 300 H SER A 20 2.495 8.530 -0.365 1.00 0.00 H +ATOM 301 HA SER A 20 0.748 9.687 1.754 1.00 0.00 H +ATOM 302 HB2 SER A 20 3.293 10.759 0.512 1.00 0.00 H +ATOM 303 HB3 SER A 20 2.412 11.474 1.867 1.00 0.00 H +ATOM 304 HG SER A 20 3.522 8.859 1.817 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 18 +ATOM 1 N ASN A 1 -4.790 8.442 0.249 1.00 0.00 N +ATOM 2 CA ASN A 1 -5.686 7.485 -0.453 1.00 0.00 C +ATOM 3 C ASN A 1 -4.849 6.300 -0.965 1.00 0.00 C +ATOM 4 O ASN A 1 -3.693 6.208 -0.570 1.00 0.00 O +ATOM 5 CB ASN A 1 -6.519 8.196 -1.544 1.00 0.00 C +ATOM 6 CG ASN A 1 -7.833 7.461 -1.812 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -7.853 6.422 -2.450 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -8.951 7.930 -1.294 1.00 0.00 N +ATOM 9 H1 ASN A 1 -4.244 7.939 0.938 1.00 0.00 H +ATOM 10 H2 ASN A 1 -4.142 8.858 -0.406 1.00 0.00 H +ATOM 11 H3 ASN A 1 -5.325 9.168 0.704 1.00 0.00 H +ATOM 12 HA ASN A 1 -6.383 7.080 0.282 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -6.738 9.195 -1.220 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -5.944 8.259 -2.469 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -9.019 8.786 -0.768 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -9.770 7.389 -1.524 1.00 0.00 H +ATOM 17 N LEU A 2 -5.405 5.376 -1.765 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.751 4.202 -2.378 1.00 0.00 C +ATOM 19 C LEU A 2 -4.144 3.169 -1.390 1.00 0.00 C +ATOM 20 O LEU A 2 -3.662 2.112 -1.794 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.724 4.701 -3.418 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.530 3.738 -4.610 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.310 4.230 -5.834 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.051 3.617 -4.978 1.00 0.00 C +ATOM 25 H LEU A 2 -6.367 5.541 -2.065 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.530 3.669 -2.924 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.059 5.647 -3.798 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.776 4.864 -2.910 1.00 0.00 H +ATOM 29 HG LEU A 2 -3.896 2.747 -4.351 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.363 4.348 -5.581 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.911 5.184 -6.179 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.230 3.497 -6.639 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -1.642 4.598 -5.223 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -1.504 3.192 -4.138 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -1.942 2.955 -5.838 1.00 0.00 H +ATOM 36 N TYR A 3 -4.199 3.443 -0.085 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.520 2.704 0.978 1.00 0.00 C +ATOM 38 C TYR A 3 -3.955 1.233 1.067 1.00 0.00 C +ATOM 39 O TYR A 3 -3.129 0.359 1.321 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.753 3.449 2.303 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.583 3.372 3.262 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.356 2.199 4.004 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.718 4.476 3.408 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.265 2.121 4.888 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.634 4.408 4.303 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.399 3.225 5.036 1.00 0.00 C +ATOM 47 OH TYR A 3 0.654 3.151 5.892 1.00 0.00 O +ATOM 48 H TYR A 3 -4.531 4.367 0.144 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.450 2.720 0.763 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.942 4.482 2.082 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.647 3.061 2.792 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.021 1.359 3.886 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.875 5.381 2.835 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.080 1.223 5.456 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.025 5.255 4.425 1.00 0.00 H +ATOM 56 HH TYR A 3 0.402 3.418 6.779 1.00 0.00 H +ATOM 57 N ILE A 4 -5.239 0.944 0.809 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.793 -0.418 0.803 1.00 0.00 C +ATOM 59 C ILE A 4 -5.137 -1.278 -0.294 1.00 0.00 C +ATOM 60 O ILE A 4 -4.777 -2.429 -0.051 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.337 -0.377 0.654 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.002 0.564 1.695 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.933 -1.789 0.786 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.600 1.821 1.047 1.00 0.00 C +ATOM 65 H ILE A 4 -5.855 1.722 0.628 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.561 -0.884 1.762 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.578 -0.019 -0.348 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.786 0.027 2.194 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.278 0.868 2.451 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.587 -2.427 -0.028 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.641 -2.235 1.738 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.023 -1.740 0.735 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.889 2.268 0.350 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.514 1.556 0.511 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.845 2.548 1.821 1.00 0.00 H +ATOM 76 N GLN A 5 -4.930 -0.702 -1.487 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.240 -1.358 -2.602 1.00 0.00 C +ATOM 78 C GLN A 5 -2.757 -1.594 -2.286 1.00 0.00 C +ATOM 79 O GLN A 5 -2.238 -2.664 -2.596 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.402 -0.514 -3.877 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.825 -0.583 -4.457 1.00 0.00 C +ATOM 82 CD GLN A 5 -6.299 0.780 -4.949 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.987 1.219 -6.043 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -7.068 1.504 -4.156 1.00 0.00 N +ATOM 85 H GLN A 5 -5.142 0.280 -1.577 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.690 -2.336 -2.774 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.176 0.508 -3.643 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.702 -0.864 -4.637 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.832 -1.272 -5.280 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.527 -0.953 -3.709 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.405 1.166 -3.274 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -7.384 2.362 -4.578 1.00 0.00 H +ATOM 93 N TRP A 6 -2.087 -0.635 -1.631 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.718 -0.822 -1.137 1.00 0.00 C +ATOM 95 C TRP A 6 -0.625 -1.935 -0.078 1.00 0.00 C +ATOM 96 O TRP A 6 0.234 -2.811 -0.181 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.169 0.510 -0.615 1.00 0.00 C +ATOM 98 CG TRP A 6 1.231 0.448 -0.086 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.357 0.390 -0.836 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.678 0.412 1.305 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.461 0.324 -0.009 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.102 0.345 1.317 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.032 0.434 2.562 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.852 0.322 2.500 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.773 0.390 3.759 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.179 0.343 3.732 1.00 0.00 C +ATOM 107 H TRP A 6 -2.569 0.238 -1.442 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.091 -1.137 -1.973 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.191 1.219 -1.420 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.817 0.881 0.178 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.382 0.389 -1.919 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.439 0.289 -0.304 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.045 0.494 2.594 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.931 0.270 2.447 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.262 0.416 4.711 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.741 0.324 4.655 1.00 0.00 H +ATOM 117 N LEU A 7 -1.535 -1.954 0.908 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.599 -3.028 1.905 1.00 0.00 C +ATOM 119 C LEU A 7 -1.859 -4.404 1.277 1.00 0.00 C +ATOM 120 O LEU A 7 -1.246 -5.374 1.719 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.653 -2.718 2.982 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.238 -1.612 3.971 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.451 -1.213 4.816 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.124 -2.058 4.928 1.00 0.00 C +ATOM 125 H LEU A 7 -2.199 -1.184 0.968 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.619 -3.101 2.378 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.556 -2.409 2.491 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.850 -3.627 3.553 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.894 -0.741 3.419 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.238 -0.826 4.169 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.830 -2.080 5.360 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.169 -0.442 5.533 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.484 -2.855 5.579 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.258 -2.415 4.373 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.808 -1.215 5.538 1.00 0.00 H +ATOM 136 N LYS A 8 -2.699 -4.500 0.231 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.961 -5.760 -0.490 1.00 0.00 C +ATOM 138 C LYS A 8 -1.682 -6.440 -0.992 1.00 0.00 C +ATOM 139 O LYS A 8 -1.618 -7.666 -1.015 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.959 -5.521 -1.641 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.419 -6.827 -2.322 1.00 0.00 C +ATOM 142 CD LYS A 8 -3.630 -7.226 -3.585 1.00 0.00 C +ATOM 143 CE LYS A 8 -4.103 -6.440 -4.814 1.00 0.00 C +ATOM 144 NZ LYS A 8 -3.568 -7.025 -6.066 1.00 0.00 N +ATOM 145 H LYS A 8 -3.215 -3.664 -0.036 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.413 -6.457 0.217 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.821 -5.019 -1.247 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.524 -4.853 -2.384 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.327 -7.623 -1.608 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.470 -6.727 -2.593 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -2.588 -7.026 -3.423 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -3.798 -8.290 -3.759 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -5.175 -6.459 -4.850 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -3.782 -5.399 -4.713 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -2.555 -6.986 -6.067 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -3.851 -7.992 -6.145 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -3.914 -6.519 -6.870 1.00 0.00 H +ATOM 158 N ASP A 9 -0.674 -5.659 -1.382 1.00 0.00 N +ATOM 159 CA ASP A 9 0.615 -6.165 -1.853 1.00 0.00 C +ATOM 160 C ASP A 9 1.571 -6.567 -0.705 1.00 0.00 C +ATOM 161 O ASP A 9 2.686 -7.014 -0.969 1.00 0.00 O +ATOM 162 CB ASP A 9 1.231 -5.098 -2.777 1.00 0.00 C +ATOM 163 CG ASP A 9 2.189 -5.711 -3.799 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.663 -6.222 -4.813 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.416 -5.646 -3.568 1.00 0.00 O +ATOM 166 H ASP A 9 -0.796 -4.654 -1.332 1.00 0.00 H +ATOM 167 HA ASP A 9 0.438 -7.059 -2.454 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.441 -4.595 -3.301 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.736 -4.335 -2.183 1.00 0.00 H +ATOM 170 N GLY A 10 1.188 -6.375 0.570 1.00 0.00 N +ATOM 171 CA GLY A 10 2.022 -6.675 1.745 1.00 0.00 C +ATOM 172 C GLY A 10 2.601 -5.455 2.475 1.00 0.00 C +ATOM 173 O GLY A 10 3.441 -5.624 3.363 1.00 0.00 O +ATOM 174 H GLY A 10 0.253 -6.015 0.741 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.412 -7.227 2.460 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.853 -7.319 1.458 1.00 0.00 H +ATOM 177 N GLY A 11 2.171 -4.233 2.128 1.00 0.00 N +ATOM 178 CA GLY A 11 2.595 -2.981 2.757 1.00 0.00 C +ATOM 179 C GLY A 11 4.126 -2.821 2.820 1.00 0.00 C +ATOM 180 O GLY A 11 4.764 -2.728 1.772 1.00 0.00 O +ATOM 181 H GLY A 11 1.579 -4.166 1.309 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.194 -2.157 2.171 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.155 -2.927 3.750 1.00 0.00 H +ATOM 184 N PRO A 12 4.762 -2.798 4.014 1.00 0.00 N +ATOM 185 CA PRO A 12 6.222 -2.711 4.128 1.00 0.00 C +ATOM 186 C PRO A 12 6.985 -3.820 3.384 1.00 0.00 C +ATOM 187 O PRO A 12 8.141 -3.624 3.019 1.00 0.00 O +ATOM 188 CB PRO A 12 6.536 -2.771 5.628 1.00 0.00 C +ATOM 189 CG PRO A 12 5.232 -2.347 6.300 1.00 0.00 C +ATOM 190 CD PRO A 12 4.159 -2.854 5.339 1.00 0.00 C +ATOM 191 HA PRO A 12 6.541 -1.745 3.735 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.809 -3.767 5.920 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.357 -2.104 5.890 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.131 -2.805 7.265 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.189 -1.259 6.357 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.884 -3.862 5.583 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.274 -2.223 5.414 1.00 0.00 H +ATOM 198 N SER A 13 6.349 -4.977 3.147 1.00 0.00 N +ATOM 199 CA SER A 13 6.954 -6.124 2.463 1.00 0.00 C +ATOM 200 C SER A 13 6.833 -6.062 0.928 1.00 0.00 C +ATOM 201 O SER A 13 7.261 -6.986 0.242 1.00 0.00 O +ATOM 202 CB SER A 13 6.368 -7.420 3.048 1.00 0.00 C +ATOM 203 OG SER A 13 7.404 -8.335 3.350 1.00 0.00 O +ATOM 204 H SER A 13 5.372 -5.058 3.425 1.00 0.00 H +ATOM 205 HA SER A 13 8.023 -6.116 2.682 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.826 -7.190 3.945 1.00 0.00 H +ATOM 207 HB3 SER A 13 5.665 -7.873 2.347 1.00 0.00 H +ATOM 208 HG SER A 13 7.993 -7.938 3.997 1.00 0.00 H +ATOM 209 N SER A 14 6.285 -4.971 0.375 1.00 0.00 N +ATOM 210 CA SER A 14 5.996 -4.784 -1.057 1.00 0.00 C +ATOM 211 C SER A 14 7.108 -4.082 -1.850 1.00 0.00 C +ATOM 212 O SER A 14 6.920 -3.757 -3.019 1.00 0.00 O +ATOM 213 CB SER A 14 4.711 -3.968 -1.193 1.00 0.00 C +ATOM 214 OG SER A 14 3.682 -4.612 -0.483 1.00 0.00 O +ATOM 215 H SER A 14 5.894 -4.268 0.998 1.00 0.00 H +ATOM 216 HA SER A 14 5.825 -5.757 -1.521 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.865 -2.985 -0.791 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.431 -3.871 -2.241 1.00 0.00 H +ATOM 219 HG SER A 14 3.520 -5.494 -0.884 1.00 0.00 H +ATOM 220 N GLY A 15 8.256 -3.783 -1.226 1.00 0.00 N +ATOM 221 CA GLY A 15 9.384 -3.115 -1.892 1.00 0.00 C +ATOM 222 C GLY A 15 9.136 -1.644 -2.261 1.00 0.00 C +ATOM 223 O GLY A 15 9.906 -1.080 -3.037 1.00 0.00 O +ATOM 224 H GLY A 15 8.354 -4.097 -0.270 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.260 -3.161 -1.246 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.616 -3.654 -2.812 1.00 0.00 H +ATOM 227 N ARG A 16 8.071 -1.022 -1.733 1.00 0.00 N +ATOM 228 CA ARG A 16 7.620 0.333 -2.073 1.00 0.00 C +ATOM 229 C ARG A 16 7.039 1.042 -0.836 1.00 0.00 C +ATOM 230 O ARG A 16 6.265 0.407 -0.118 1.00 0.00 O +ATOM 231 CB ARG A 16 6.558 0.205 -3.182 1.00 0.00 C +ATOM 232 CG ARG A 16 6.146 1.562 -3.766 1.00 0.00 C +ATOM 233 CD ARG A 16 5.085 1.404 -4.861 1.00 0.00 C +ATOM 234 NE ARG A 16 5.279 2.408 -5.922 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.427 2.749 -6.879 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.214 2.253 -6.941 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.794 3.604 -7.805 1.00 0.00 N +ATOM 238 H ARG A 16 7.498 -1.558 -1.093 1.00 0.00 H +ATOM 239 HA ARG A 16 8.474 0.889 -2.457 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.958 -0.402 -3.972 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.678 -0.308 -2.787 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.747 2.173 -2.980 1.00 0.00 H +ATOM 243 HG3 ARG A 16 7.035 2.033 -4.183 1.00 0.00 H +ATOM 244 HD2 ARG A 16 5.162 0.422 -5.287 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.099 1.511 -4.406 1.00 0.00 H +ATOM 246 HE ARG A 16 6.183 2.845 -5.952 1.00 0.00 H +ATOM 247 HH11 ARG A 16 2.943 1.589 -6.236 1.00 0.00 H +ATOM 248 HH12 ARG A 16 2.578 2.515 -7.670 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.722 3.990 -7.801 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.153 3.860 -8.532 1.00 0.00 H +ATOM 251 N PRO A 17 7.339 2.336 -0.597 1.00 0.00 N +ATOM 252 CA PRO A 17 6.761 3.096 0.517 1.00 0.00 C +ATOM 253 C PRO A 17 5.236 3.291 0.376 1.00 0.00 C +ATOM 254 O PRO A 17 4.700 3.157 -0.728 1.00 0.00 O +ATOM 255 CB PRO A 17 7.502 4.441 0.515 1.00 0.00 C +ATOM 256 CG PRO A 17 7.925 4.615 -0.941 1.00 0.00 C +ATOM 257 CD PRO A 17 8.240 3.185 -1.367 1.00 0.00 C +ATOM 258 HA PRO A 17 6.966 2.571 1.450 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.852 5.237 0.823 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.390 4.367 1.144 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.129 5.028 -1.529 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.791 5.270 -1.039 1.00 0.00 H +ATOM 263 HD2 PRO A 17 8.064 3.060 -2.418 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.272 2.943 -1.108 1.00 0.00 H +ATOM 265 N PRO A 18 4.530 3.634 1.472 1.00 0.00 N +ATOM 266 CA PRO A 18 3.086 3.848 1.449 1.00 0.00 C +ATOM 267 C PRO A 18 2.698 5.104 0.650 1.00 0.00 C +ATOM 268 O PRO A 18 3.420 6.101 0.687 1.00 0.00 O +ATOM 269 CB PRO A 18 2.662 3.983 2.913 1.00 0.00 C +ATOM 270 CG PRO A 18 3.925 4.461 3.623 1.00 0.00 C +ATOM 271 CD PRO A 18 5.046 3.799 2.825 1.00 0.00 C +ATOM 272 HA PRO A 18 2.610 2.974 1.015 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.872 4.701 3.016 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.373 3.010 3.303 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.006 5.530 3.586 1.00 0.00 H +ATOM 276 HG3 PRO A 18 3.940 4.157 4.670 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.918 4.424 2.818 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.270 2.821 3.248 1.00 0.00 H +ATOM 279 N PRO A 19 1.537 5.098 -0.033 1.00 0.00 N +ATOM 280 CA PRO A 19 1.010 6.280 -0.696 1.00 0.00 C +ATOM 281 C PRO A 19 0.436 7.257 0.342 1.00 0.00 C +ATOM 282 O PRO A 19 -0.227 6.870 1.309 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.043 5.743 -1.671 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.579 4.494 -0.969 1.00 0.00 C +ATOM 285 CD PRO A 19 0.631 3.970 -0.196 1.00 0.00 C +ATOM 286 HA PRO A 19 1.802 6.778 -1.258 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.825 6.462 -1.825 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.453 5.447 -2.598 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.381 4.744 -0.302 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.944 3.756 -1.684 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.326 3.598 0.763 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.130 3.194 -0.777 1.00 0.00 H +ATOM 293 N SER A 20 0.706 8.552 0.169 1.00 0.00 N +ATOM 294 CA SER A 20 0.162 9.640 0.988 1.00 0.00 C +ATOM 295 C SER A 20 -0.066 10.872 0.126 1.00 0.00 C +ATOM 296 O SER A 20 0.918 11.303 -0.513 1.00 0.00 O +ATOM 297 CB SER A 20 1.092 9.931 2.166 1.00 0.00 C +ATOM 298 OG SER A 20 1.001 8.805 3.014 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.239 11.304 0.086 1.00 0.00 O +ATOM 300 H SER A 20 1.318 8.846 -0.582 1.00 0.00 H +ATOM 301 HA SER A 20 -0.816 9.367 1.381 1.00 0.00 H +ATOM 302 HB2 SER A 20 2.100 10.060 1.823 1.00 0.00 H +ATOM 303 HB3 SER A 20 0.767 10.828 2.696 1.00 0.00 H +ATOM 304 HG SER A 20 0.609 8.093 2.479 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 19 +ATOM 1 N ASN A 1 -4.711 8.428 -0.250 1.00 0.00 N +ATOM 2 CA ASN A 1 -5.482 7.459 -1.069 1.00 0.00 C +ATOM 3 C ASN A 1 -4.637 6.216 -1.384 1.00 0.00 C +ATOM 4 O ASN A 1 -3.508 6.151 -0.914 1.00 0.00 O +ATOM 5 CB ASN A 1 -6.058 8.123 -2.332 1.00 0.00 C +ATOM 6 CG ASN A 1 -7.308 7.368 -2.763 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -8.229 7.219 -1.982 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -7.347 6.788 -3.948 1.00 0.00 N +ATOM 9 H1 ASN A 1 -4.276 7.945 0.525 1.00 0.00 H +ATOM 10 H2 ASN A 1 -3.969 8.859 -0.792 1.00 0.00 H +ATOM 11 H3 ASN A 1 -5.313 9.159 0.105 1.00 0.00 H +ATOM 12 HA ASN A 1 -6.326 7.121 -0.463 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -6.310 9.144 -2.119 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -5.314 8.139 -3.131 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -6.635 6.892 -4.653 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -8.230 6.344 -4.151 1.00 0.00 H +ATOM 17 N LEU A 2 -5.165 5.225 -2.127 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.498 3.973 -2.561 1.00 0.00 C +ATOM 19 C LEU A 2 -3.959 3.039 -1.451 1.00 0.00 C +ATOM 20 O LEU A 2 -3.474 1.944 -1.745 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.435 4.298 -3.639 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.002 4.275 -5.079 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.796 5.613 -5.794 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.342 3.164 -5.900 1.00 0.00 C +ATOM 25 H LEU A 2 -6.111 5.349 -2.465 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.264 3.362 -3.041 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.039 5.276 -3.444 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.623 3.573 -3.570 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.074 4.082 -5.054 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.302 6.407 -5.250 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.731 5.843 -5.862 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.209 5.556 -6.802 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.271 3.350 -5.990 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -3.499 2.202 -5.413 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.782 3.126 -6.897 1.00 0.00 H +ATOM 36 N TYR A 3 -4.101 3.418 -0.179 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.547 2.721 0.982 1.00 0.00 C +ATOM 38 C TYR A 3 -4.035 1.268 1.120 1.00 0.00 C +ATOM 39 O TYR A 3 -3.246 0.381 1.446 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.866 3.547 2.234 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.864 3.337 3.348 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -1.722 4.158 3.414 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -3.059 2.315 4.297 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -0.764 3.952 4.424 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -2.106 2.111 5.311 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.953 2.921 5.370 1.00 0.00 C +ATOM 47 OH TYR A 3 -0.015 2.685 6.326 1.00 0.00 O +ATOM 48 H TYR A 3 -4.435 4.356 -0.036 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.464 2.693 0.862 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.869 4.586 1.967 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.870 3.311 2.589 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -1.570 4.949 2.689 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -3.934 1.680 4.247 1.00 0.00 H +ATOM 54 HE1 TYR A 3 0.103 4.591 4.475 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -2.233 1.337 6.051 1.00 0.00 H +ATOM 56 HH TYR A 3 0.804 3.144 6.139 1.00 0.00 H +ATOM 57 N ILE A 4 -5.316 1.007 0.820 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.898 -0.342 0.812 1.00 0.00 C +ATOM 59 C ILE A 4 -5.161 -1.235 -0.200 1.00 0.00 C +ATOM 60 O ILE A 4 -4.707 -2.324 0.147 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.424 -0.311 0.536 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.202 0.658 1.464 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.008 -1.726 0.703 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.481 2.022 0.816 1.00 0.00 C +ATOM 65 H ILE A 4 -5.901 1.792 0.575 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.743 -0.778 1.800 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.593 -0.010 -0.501 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.140 0.204 1.722 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.659 0.801 2.399 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.552 -2.414 -0.005 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.831 -2.089 1.719 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.082 -1.713 0.513 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.555 2.566 0.645 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.003 1.881 -0.131 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.118 2.609 1.477 1.00 0.00 H +ATOM 76 N GLN A 5 -5.005 -0.767 -1.445 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.266 -1.471 -2.496 1.00 0.00 C +ATOM 78 C GLN A 5 -2.794 -1.703 -2.131 1.00 0.00 C +ATOM 79 O GLN A 5 -2.290 -2.798 -2.375 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.404 -0.714 -3.831 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.577 -1.242 -4.674 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.172 -2.342 -5.657 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.444 -2.266 -6.841 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -4.511 -3.407 -5.235 1.00 0.00 N +ATOM 85 H GLN A 5 -5.339 0.164 -1.640 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.705 -2.459 -2.606 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.567 0.326 -3.624 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.485 -0.802 -4.412 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -6.322 -1.636 -4.010 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.980 -0.410 -5.253 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.079 -3.463 -4.327 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -4.196 -3.952 -6.023 1.00 0.00 H +ATOM 93 N TRP A 6 -2.131 -0.715 -1.517 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.771 -0.866 -0.989 1.00 0.00 C +ATOM 95 C TRP A 6 -0.676 -1.954 0.096 1.00 0.00 C +ATOM 96 O TRP A 6 0.217 -2.804 0.034 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.278 0.492 -0.481 1.00 0.00 C +ATOM 98 CG TRP A 6 1.076 0.483 0.156 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.258 0.449 -0.500 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.409 0.516 1.577 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.295 0.438 0.415 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.830 0.499 1.706 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.660 0.554 2.771 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.479 0.537 2.947 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.299 0.565 4.026 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.703 0.571 4.116 1.00 0.00 C +ATOM 107 H TRP A 6 -2.609 0.176 -1.403 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.117 -1.181 -1.802 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.248 1.167 -1.315 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.989 0.883 0.245 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.367 0.437 -1.575 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.290 0.412 0.180 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.419 0.574 2.716 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.558 0.526 2.988 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 0.705 0.572 4.929 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.181 0.592 5.084 1.00 0.00 H +ATOM 117 N LEU A 7 -1.612 -1.982 1.056 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.688 -3.061 2.044 1.00 0.00 C +ATOM 119 C LEU A 7 -1.950 -4.430 1.398 1.00 0.00 C +ATOM 120 O LEU A 7 -1.263 -5.384 1.758 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.739 -2.752 3.125 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.322 -1.677 4.150 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.497 -1.435 5.104 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.106 -2.095 4.988 1.00 0.00 C +ATOM 125 H LEU A 7 -2.302 -1.233 1.088 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.712 -3.148 2.521 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.632 -2.416 2.635 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.947 -3.672 3.673 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.094 -0.746 3.637 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.353 -1.060 4.542 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.770 -2.364 5.605 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.222 -0.700 5.856 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.285 -3.061 5.457 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.217 -2.154 4.362 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.919 -1.351 5.762 1.00 0.00 H +ATOM 136 N LYS A 8 -2.879 -4.534 0.430 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.176 -5.792 -0.293 1.00 0.00 C +ATOM 138 C LYS A 8 -1.940 -6.427 -0.932 1.00 0.00 C +ATOM 139 O LYS A 8 -1.861 -7.649 -0.988 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.234 -5.580 -1.389 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.650 -5.363 -0.841 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.641 -4.855 -1.906 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.271 -5.959 -2.767 1.00 0.00 C +ATOM 144 NZ LYS A 8 -6.386 -6.423 -3.863 1.00 0.00 N +ATOM 145 H LYS A 8 -3.427 -3.700 0.224 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.550 -6.525 0.424 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.957 -4.718 -1.966 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -4.252 -6.467 -2.023 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -6.013 -6.296 -0.455 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.609 -4.626 -0.042 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -7.431 -4.329 -1.405 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.171 -4.105 -2.541 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.499 -6.796 -2.135 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -8.193 -5.560 -3.199 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -6.162 -5.656 -4.484 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -5.528 -6.807 -3.488 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -6.850 -7.145 -4.401 1.00 0.00 H +ATOM 158 N ASP A 9 -1.006 -5.612 -1.428 1.00 0.00 N +ATOM 159 CA ASP A 9 0.249 -6.089 -2.012 1.00 0.00 C +ATOM 160 C ASP A 9 1.195 -6.700 -0.957 1.00 0.00 C +ATOM 161 O ASP A 9 1.906 -7.655 -1.257 1.00 0.00 O +ATOM 162 CB ASP A 9 0.908 -4.913 -2.751 1.00 0.00 C +ATOM 163 CG ASP A 9 1.926 -5.376 -3.792 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.079 -5.637 -3.380 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.557 -5.417 -4.986 1.00 0.00 O +ATOM 166 H ASP A 9 -1.181 -4.614 -1.403 1.00 0.00 H +ATOM 167 HA ASP A 9 0.021 -6.868 -2.743 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.144 -4.345 -3.245 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.399 -4.255 -2.030 1.00 0.00 H +ATOM 170 N GLY A 10 1.167 -6.180 0.281 1.00 0.00 N +ATOM 171 CA GLY A 10 2.093 -6.534 1.364 1.00 0.00 C +ATOM 172 C GLY A 10 2.641 -5.339 2.162 1.00 0.00 C +ATOM 173 O GLY A 10 3.484 -5.529 3.044 1.00 0.00 O +ATOM 174 H GLY A 10 0.409 -5.539 0.486 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.576 -7.194 2.060 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.946 -7.076 0.955 1.00 0.00 H +ATOM 177 N GLY A 11 2.182 -4.110 1.882 1.00 0.00 N +ATOM 178 CA GLY A 11 2.599 -2.906 2.599 1.00 0.00 C +ATOM 179 C GLY A 11 4.124 -2.698 2.547 1.00 0.00 C +ATOM 180 O GLY A 11 4.696 -2.700 1.453 1.00 0.00 O +ATOM 181 H GLY A 11 1.532 -3.983 1.113 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.116 -2.047 2.140 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.249 -2.984 3.627 1.00 0.00 H +ATOM 184 N PRO A 12 4.822 -2.540 3.693 1.00 0.00 N +ATOM 185 CA PRO A 12 6.282 -2.419 3.719 1.00 0.00 C +ATOM 186 C PRO A 12 7.024 -3.621 3.110 1.00 0.00 C +ATOM 187 O PRO A 12 8.145 -3.463 2.631 1.00 0.00 O +ATOM 188 CB PRO A 12 6.668 -2.252 5.194 1.00 0.00 C +ATOM 189 CG PRO A 12 5.381 -1.788 5.872 1.00 0.00 C +ATOM 190 CD PRO A 12 4.292 -2.472 5.049 1.00 0.00 C +ATOM 191 HA PRO A 12 6.564 -1.518 3.171 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.000 -3.185 5.608 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.469 -1.522 5.318 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.348 -2.107 6.896 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.287 -0.705 5.777 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.098 -3.457 5.427 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.371 -1.895 5.104 1.00 0.00 H +ATOM 198 N SER A 13 6.411 -4.816 3.098 1.00 0.00 N +ATOM 199 CA SER A 13 7.038 -6.057 2.614 1.00 0.00 C +ATOM 200 C SER A 13 7.028 -6.197 1.080 1.00 0.00 C +ATOM 201 O SER A 13 7.416 -7.241 0.562 1.00 0.00 O +ATOM 202 CB SER A 13 6.390 -7.277 3.283 1.00 0.00 C +ATOM 203 OG SER A 13 6.567 -7.211 4.686 1.00 0.00 O +ATOM 204 H SER A 13 5.434 -4.862 3.375 1.00 0.00 H +ATOM 205 HA SER A 13 8.085 -6.051 2.913 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.341 -7.291 3.057 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.867 -8.188 2.919 1.00 0.00 H +ATOM 208 HG SER A 13 6.098 -6.440 5.015 1.00 0.00 H +ATOM 209 N SER A 14 6.620 -5.147 0.358 1.00 0.00 N +ATOM 210 CA SER A 14 6.465 -5.116 -1.104 1.00 0.00 C +ATOM 211 C SER A 14 7.520 -4.277 -1.839 1.00 0.00 C +ATOM 212 O SER A 14 7.383 -4.035 -3.039 1.00 0.00 O +ATOM 213 CB SER A 14 5.072 -4.582 -1.431 1.00 0.00 C +ATOM 214 OG SER A 14 4.112 -5.580 -1.231 1.00 0.00 O +ATOM 215 H SER A 14 6.276 -4.349 0.876 1.00 0.00 H +ATOM 216 HA SER A 14 6.531 -6.130 -1.502 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.854 -3.747 -0.793 1.00 0.00 H +ATOM 218 HB3 SER A 14 5.022 -4.287 -2.477 1.00 0.00 H +ATOM 219 HG SER A 14 3.651 -5.690 -2.148 1.00 0.00 H +ATOM 220 N GLY A 15 8.549 -3.780 -1.139 1.00 0.00 N +ATOM 221 CA GLY A 15 9.587 -2.933 -1.741 1.00 0.00 C +ATOM 222 C GLY A 15 9.096 -1.536 -2.151 1.00 0.00 C +ATOM 223 O GLY A 15 9.726 -0.894 -2.987 1.00 0.00 O +ATOM 224 H GLY A 15 8.618 -4.033 -0.161 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.410 -2.813 -1.039 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.975 -3.426 -2.634 1.00 0.00 H +ATOM 227 N ARG A 16 7.969 -1.073 -1.587 1.00 0.00 N +ATOM 228 CA ARG A 16 7.285 0.177 -1.944 1.00 0.00 C +ATOM 229 C ARG A 16 6.807 0.935 -0.691 1.00 0.00 C +ATOM 230 O ARG A 16 6.125 0.336 0.145 1.00 0.00 O +ATOM 231 CB ARG A 16 6.131 -0.110 -2.930 1.00 0.00 C +ATOM 232 CG ARG A 16 5.136 -1.187 -2.454 1.00 0.00 C +ATOM 233 CD ARG A 16 3.995 -1.438 -3.443 1.00 0.00 C +ATOM 234 NE ARG A 16 4.473 -2.075 -4.685 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.016 -1.881 -5.916 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.041 -1.038 -6.174 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.543 -2.530 -6.926 1.00 0.00 N +ATOM 238 H ARG A 16 7.539 -1.660 -0.885 1.00 0.00 H +ATOM 239 HA ARG A 16 8.004 0.797 -2.475 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.588 0.802 -3.085 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.569 -0.435 -3.874 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.671 -2.106 -2.312 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.696 -0.891 -1.507 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.270 -2.080 -2.981 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.510 -0.485 -3.654 1.00 0.00 H +ATOM 246 HE ARG A 16 5.199 -2.769 -4.574 1.00 0.00 H +ATOM 247 HH11 ARG A 16 2.612 -0.568 -5.400 1.00 0.00 H +ATOM 248 HH12 ARG A 16 2.697 -0.911 -7.106 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.261 -3.213 -6.759 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.184 -2.398 -7.852 1.00 0.00 H +ATOM 251 N PRO A 17 7.131 2.235 -0.537 1.00 0.00 N +ATOM 252 CA PRO A 17 6.706 3.032 0.616 1.00 0.00 C +ATOM 253 C PRO A 17 5.183 3.290 0.607 1.00 0.00 C +ATOM 254 O PRO A 17 4.540 3.099 -0.429 1.00 0.00 O +ATOM 255 CB PRO A 17 7.514 4.332 0.509 1.00 0.00 C +ATOM 256 CG PRO A 17 7.726 4.499 -0.992 1.00 0.00 C +ATOM 257 CD PRO A 17 7.879 3.059 -1.478 1.00 0.00 C +ATOM 258 HA PRO A 17 6.972 2.511 1.537 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.963 5.160 0.913 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.479 4.197 1.000 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.880 4.973 -1.451 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.611 5.095 -1.213 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.476 2.955 -2.467 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.931 2.771 -1.454 1.00 0.00 H +ATOM 265 N PRO A 18 4.594 3.738 1.736 1.00 0.00 N +ATOM 266 CA PRO A 18 3.165 4.041 1.816 1.00 0.00 C +ATOM 267 C PRO A 18 2.783 5.192 0.871 1.00 0.00 C +ATOM 268 O PRO A 18 3.492 6.199 0.824 1.00 0.00 O +ATOM 269 CB PRO A 18 2.894 4.397 3.281 1.00 0.00 C +ATOM 270 CG PRO A 18 4.254 4.847 3.808 1.00 0.00 C +ATOM 271 CD PRO A 18 5.233 3.978 3.023 1.00 0.00 C +ATOM 272 HA PRO A 18 2.603 3.146 1.565 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.175 5.190 3.354 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.571 3.506 3.818 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.419 5.889 3.610 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.347 4.691 4.883 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.166 4.491 2.889 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.375 3.027 3.537 1.00 0.00 H +ATOM 279 N PRO A 19 1.669 5.075 0.121 1.00 0.00 N +ATOM 280 CA PRO A 19 1.193 6.145 -0.742 1.00 0.00 C +ATOM 281 C PRO A 19 0.412 7.189 0.066 1.00 0.00 C +ATOM 282 O PRO A 19 -0.366 6.839 0.959 1.00 0.00 O +ATOM 283 CB PRO A 19 0.286 5.445 -1.758 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.334 4.311 -0.945 1.00 0.00 C +ATOM 285 CD PRO A 19 0.787 3.922 0.021 1.00 0.00 C +ATOM 286 HA PRO A 19 2.027 6.623 -1.257 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.469 6.113 -2.125 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.899 5.024 -2.558 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.202 4.649 -0.412 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.632 3.479 -1.581 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.379 3.683 0.984 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.349 3.085 -0.391 1.00 0.00 H +ATOM 293 N SER A 20 0.545 8.452 -0.361 1.00 0.00 N +ATOM 294 CA SER A 20 -0.267 9.613 0.032 1.00 0.00 C +ATOM 295 C SER A 20 0.099 10.270 1.361 1.00 0.00 C +ATOM 296 O SER A 20 1.001 9.777 2.071 1.00 0.00 O +ATOM 297 CB SER A 20 -1.745 9.233 0.059 1.00 0.00 C +ATOM 298 OG SER A 20 -2.498 10.392 -0.203 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.596 11.284 1.612 1.00 0.00 O +ATOM 300 H SER A 20 1.265 8.618 -1.047 1.00 0.00 H +ATOM 301 HA SER A 20 -0.121 10.385 -0.723 1.00 0.00 H +ATOM 302 HB2 SER A 20 -1.944 8.492 -0.691 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.994 8.859 1.055 1.00 0.00 H +ATOM 304 HG SER A 20 -2.028 11.083 0.314 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 20 +ATOM 1 N ASN A 1 -8.559 6.374 -1.226 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.539 6.170 -0.168 1.00 0.00 C +ATOM 3 C ASN A 1 -6.191 5.649 -0.655 1.00 0.00 C +ATOM 4 O ASN A 1 -5.194 6.053 -0.072 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.062 5.285 0.966 1.00 0.00 C +ATOM 6 CG ASN A 1 -8.992 6.102 1.840 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.159 6.243 1.517 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -8.488 6.730 2.886 1.00 0.00 N +ATOM 9 H1 ASN A 1 -8.207 6.992 -1.945 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.827 5.491 -1.639 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.389 6.786 -0.814 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.316 7.145 0.269 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.596 4.450 0.554 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -7.238 4.906 1.572 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -7.518 6.672 3.157 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -9.151 7.262 3.426 1.00 0.00 H +ATOM 17 N LEU A 2 -6.126 4.735 -1.642 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.891 4.125 -2.180 1.00 0.00 C +ATOM 19 C LEU A 2 -4.153 3.176 -1.204 1.00 0.00 C +ATOM 20 O LEU A 2 -3.597 2.164 -1.636 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.962 5.228 -2.759 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.563 5.018 -4.237 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.974 6.221 -5.092 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.055 4.808 -4.389 1.00 0.00 C +ATOM 25 H LEU A 2 -6.972 4.387 -2.062 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.209 3.487 -3.002 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.470 6.170 -2.679 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.068 5.296 -2.140 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.066 4.139 -4.638 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.024 6.461 -4.923 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.363 7.091 -4.843 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.839 5.983 -6.147 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -1.524 5.712 -4.089 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -1.743 3.967 -3.772 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -1.820 4.596 -5.432 1.00 0.00 H +ATOM 36 N TYR A 3 -4.202 3.452 0.106 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.575 2.669 1.174 1.00 0.00 C +ATOM 38 C TYR A 3 -4.020 1.200 1.203 1.00 0.00 C +ATOM 39 O TYR A 3 -3.195 0.322 1.447 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.843 3.340 2.530 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.673 3.212 3.480 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.543 2.088 4.320 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.689 4.217 3.496 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.427 1.974 5.172 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.574 4.112 4.346 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.438 2.983 5.184 1.00 0.00 C +ATOM 47 OH TYR A 3 0.646 2.858 5.993 1.00 0.00 O +ATOM 48 H TYR A 3 -4.568 4.369 0.345 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.498 2.677 1.000 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.041 4.382 2.366 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.737 2.911 2.988 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.296 1.314 4.305 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.794 5.082 2.856 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.307 1.120 5.821 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.166 4.899 4.359 1.00 0.00 H +ATOM 56 HH TYR A 3 1.278 3.565 5.851 1.00 0.00 H +ATOM 57 N ILE A 4 -5.303 0.928 0.911 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.843 -0.436 0.816 1.00 0.00 C +ATOM 59 C ILE A 4 -5.054 -1.237 -0.220 1.00 0.00 C +ATOM 60 O ILE A 4 -4.584 -2.327 0.084 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.357 -0.449 0.483 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.184 0.429 1.452 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.909 -1.886 0.515 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.655 1.719 0.779 1.00 0.00 C +ATOM 65 H ILE A 4 -5.915 1.709 0.742 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.704 -0.925 1.782 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.493 -0.077 -0.536 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.042 -0.126 1.779 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.595 0.676 2.336 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.390 -2.519 -0.204 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.795 -2.311 1.514 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.968 -1.881 0.251 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.807 2.246 0.343 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.375 1.482 -0.007 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.141 2.352 1.521 1.00 0.00 H +ATOM 76 N GLN A 5 -4.882 -0.682 -1.427 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.187 -1.318 -2.543 1.00 0.00 C +ATOM 78 C GLN A 5 -2.715 -1.599 -2.195 1.00 0.00 C +ATOM 79 O GLN A 5 -2.236 -2.714 -2.401 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.359 -0.428 -3.793 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.481 -1.221 -5.109 1.00 0.00 C +ATOM 82 CD GLN A 5 -3.302 -1.006 -6.054 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -2.144 -1.029 -5.666 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -3.557 -0.777 -7.329 1.00 0.00 N +ATOM 85 H GLN A 5 -5.224 0.258 -1.562 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.671 -2.279 -2.721 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.247 0.161 -3.669 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.541 0.293 -3.855 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -4.542 -2.266 -4.873 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.394 -0.897 -5.613 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.491 -0.741 -7.700 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -2.737 -0.694 -7.906 1.00 0.00 H +ATOM 93 N TRP A 6 -2.029 -0.624 -1.578 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.665 -0.788 -1.058 1.00 0.00 C +ATOM 95 C TRP A 6 -0.556 -1.893 0.011 1.00 0.00 C +ATOM 96 O TRP A 6 0.331 -2.745 -0.077 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.159 0.559 -0.523 1.00 0.00 C +ATOM 98 CG TRP A 6 1.225 0.523 0.051 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.372 0.435 -0.663 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.630 0.513 1.454 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.451 0.386 0.196 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.054 0.444 1.511 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.945 0.537 2.688 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.767 0.433 2.717 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.648 0.497 3.907 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.054 0.465 3.925 1.00 0.00 C +ATOM 107 H TRP A 6 -2.509 0.259 -1.436 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.018 -1.090 -1.882 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.168 1.265 -1.331 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.840 0.912 0.252 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.432 0.386 -1.739 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.433 0.309 -0.087 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.135 0.584 2.691 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.847 0.386 2.702 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.107 0.502 4.843 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.581 0.457 4.869 1.00 0.00 H +ATOM 117 N LEU A 7 -1.463 -1.916 0.999 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.525 -3.000 1.984 1.00 0.00 C +ATOM 119 C LEU A 7 -1.822 -4.357 1.333 1.00 0.00 C +ATOM 120 O LEU A 7 -1.178 -5.338 1.700 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.557 -2.691 3.086 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.097 -1.666 4.139 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.252 -1.407 5.113 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.893 -2.152 4.958 1.00 0.00 C +ATOM 125 H LEU A 7 -2.157 -1.171 1.046 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.541 -3.101 2.440 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.443 -2.310 2.615 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.794 -3.620 3.606 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.835 -0.730 3.648 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.113 -1.019 4.569 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.533 -2.334 5.614 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.951 -0.680 5.866 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.114 -3.120 5.409 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.012 -2.241 4.326 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.668 -1.436 5.747 1.00 0.00 H +ATOM 136 N LYS A 8 -2.738 -4.419 0.353 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.104 -5.647 -0.376 1.00 0.00 C +ATOM 138 C LYS A 8 -1.891 -6.322 -1.027 1.00 0.00 C +ATOM 139 O LYS A 8 -1.817 -7.547 -1.040 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.205 -5.340 -1.415 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.335 -6.380 -1.451 1.00 0.00 C +ATOM 142 CD LYS A 8 -4.972 -7.663 -2.207 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.125 -8.664 -2.114 1.00 0.00 C +ATOM 144 NZ LYS A 8 -5.771 -9.943 -2.773 1.00 0.00 N +ATOM 145 H LYS A 8 -3.250 -3.563 0.145 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.490 -6.354 0.358 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.633 -4.384 -1.181 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.770 -5.224 -2.411 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.586 -6.642 -0.441 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -6.197 -5.928 -1.944 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -4.786 -7.429 -3.237 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -4.085 -8.111 -1.765 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.345 -8.851 -1.081 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.012 -8.228 -2.581 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -5.589 -9.789 -3.756 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -4.937 -10.327 -2.348 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -6.525 -10.610 -2.677 1.00 0.00 H +ATOM 158 N ASP A 9 -0.939 -5.531 -1.526 1.00 0.00 N +ATOM 159 CA ASP A 9 0.321 -6.020 -2.093 1.00 0.00 C +ATOM 160 C ASP A 9 1.283 -6.607 -1.037 1.00 0.00 C +ATOM 161 O ASP A 9 2.139 -7.419 -1.377 1.00 0.00 O +ATOM 162 CB ASP A 9 0.989 -4.858 -2.850 1.00 0.00 C +ATOM 163 CG ASP A 9 1.796 -5.335 -4.057 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.163 -5.904 -4.975 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.019 -5.073 -4.070 1.00 0.00 O +ATOM 166 H ASP A 9 -1.118 -4.533 -1.538 1.00 0.00 H +ATOM 167 HA ASP A 9 0.090 -6.813 -2.809 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.226 -4.185 -3.190 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.629 -4.297 -2.165 1.00 0.00 H +ATOM 170 N GLY A 10 1.133 -6.217 0.240 1.00 0.00 N +ATOM 171 CA GLY A 10 2.010 -6.592 1.355 1.00 0.00 C +ATOM 172 C GLY A 10 2.573 -5.411 2.161 1.00 0.00 C +ATOM 173 O GLY A 10 3.398 -5.625 3.054 1.00 0.00 O +ATOM 174 H GLY A 10 0.303 -5.675 0.461 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.445 -7.224 2.039 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.855 -7.173 0.983 1.00 0.00 H +ATOM 177 N GLY A 11 2.155 -4.169 1.875 1.00 0.00 N +ATOM 178 CA GLY A 11 2.637 -2.966 2.554 1.00 0.00 C +ATOM 179 C GLY A 11 4.173 -2.844 2.510 1.00 0.00 C +ATOM 180 O GLY A 11 4.743 -2.864 1.419 1.00 0.00 O +ATOM 181 H GLY A 11 1.499 -4.036 1.112 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.212 -2.097 2.057 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.276 -2.984 3.579 1.00 0.00 H +ATOM 184 N PRO A 12 4.876 -2.729 3.659 1.00 0.00 N +ATOM 185 CA PRO A 12 6.341 -2.693 3.687 1.00 0.00 C +ATOM 186 C PRO A 12 7.005 -3.929 3.062 1.00 0.00 C +ATOM 187 O PRO A 12 8.095 -3.815 2.504 1.00 0.00 O +ATOM 188 CB PRO A 12 6.736 -2.568 5.165 1.00 0.00 C +ATOM 189 CG PRO A 12 5.479 -2.037 5.847 1.00 0.00 C +ATOM 190 CD PRO A 12 4.350 -2.640 5.013 1.00 0.00 C +ATOM 191 HA PRO A 12 6.678 -1.805 3.152 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.012 -3.524 5.567 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.579 -1.889 5.296 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.424 -2.369 6.866 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.453 -0.949 5.767 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.091 -3.614 5.380 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.468 -2.003 5.070 1.00 0.00 H +ATOM 198 N SER A 13 6.350 -5.101 3.114 1.00 0.00 N +ATOM 199 CA SER A 13 6.894 -6.348 2.558 1.00 0.00 C +ATOM 200 C SER A 13 7.064 -6.302 1.037 1.00 0.00 C +ATOM 201 O SER A 13 7.806 -7.118 0.493 1.00 0.00 O +ATOM 202 CB SER A 13 5.994 -7.536 2.906 1.00 0.00 C +ATOM 203 OG SER A 13 6.670 -8.733 2.580 1.00 0.00 O +ATOM 204 H SER A 13 5.406 -5.120 3.489 1.00 0.00 H +ATOM 205 HA SER A 13 7.875 -6.522 3.002 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.770 -7.523 3.955 1.00 0.00 H +ATOM 207 HB3 SER A 13 5.068 -7.474 2.335 1.00 0.00 H +ATOM 208 HG SER A 13 7.095 -8.611 1.716 1.00 0.00 H +ATOM 209 N SER A 14 6.380 -5.370 0.366 1.00 0.00 N +ATOM 210 CA SER A 14 6.436 -5.119 -1.073 1.00 0.00 C +ATOM 211 C SER A 14 7.612 -4.213 -1.472 1.00 0.00 C +ATOM 212 O SER A 14 7.787 -3.922 -2.655 1.00 0.00 O +ATOM 213 CB SER A 14 5.135 -4.433 -1.522 1.00 0.00 C +ATOM 214 OG SER A 14 4.021 -4.846 -0.754 1.00 0.00 O +ATOM 215 H SER A 14 5.700 -4.806 0.866 1.00 0.00 H +ATOM 216 HA SER A 14 6.525 -6.070 -1.599 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.251 -3.371 -1.420 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.963 -4.657 -2.575 1.00 0.00 H +ATOM 219 HG SER A 14 3.267 -4.316 -1.024 1.00 0.00 H +ATOM 220 N GLY A 15 8.377 -3.685 -0.506 1.00 0.00 N +ATOM 221 CA GLY A 15 9.506 -2.771 -0.715 1.00 0.00 C +ATOM 222 C GLY A 15 9.108 -1.335 -1.091 1.00 0.00 C +ATOM 223 O GLY A 15 9.766 -0.389 -0.660 1.00 0.00 O +ATOM 224 H GLY A 15 8.157 -3.928 0.457 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.096 -2.732 0.199 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.140 -3.166 -1.510 1.00 0.00 H +ATOM 227 N ARG A 16 8.034 -1.153 -1.871 1.00 0.00 N +ATOM 228 CA ARG A 16 7.469 0.154 -2.234 1.00 0.00 C +ATOM 229 C ARG A 16 6.973 0.913 -0.978 1.00 0.00 C +ATOM 230 O ARG A 16 6.211 0.332 -0.200 1.00 0.00 O +ATOM 231 CB ARG A 16 6.320 -0.061 -3.236 1.00 0.00 C +ATOM 232 CG ARG A 16 5.701 1.259 -3.728 1.00 0.00 C +ATOM 233 CD ARG A 16 4.282 1.081 -4.280 1.00 0.00 C +ATOM 234 NE ARG A 16 3.436 2.223 -3.888 1.00 0.00 N +ATOM 235 CZ ARG A 16 2.113 2.270 -3.848 1.00 0.00 C +ATOM 236 NH1 ARG A 16 1.365 1.261 -4.236 1.00 0.00 N +ATOM 237 NH2 ARG A 16 1.519 3.348 -3.396 1.00 0.00 N +ATOM 238 H ARG A 16 7.609 -2.003 -2.232 1.00 0.00 H +ATOM 239 HA ARG A 16 8.260 0.723 -2.719 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.701 -0.598 -4.084 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.552 -0.663 -2.744 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.665 1.948 -2.906 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.342 1.711 -4.487 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.323 1.021 -5.351 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.851 0.165 -3.875 1.00 0.00 H +ATOM 246 HE ARG A 16 3.920 3.015 -3.494 1.00 0.00 H +ATOM 247 HH11 ARG A 16 1.821 0.446 -4.608 1.00 0.00 H +ATOM 248 HH12 ARG A 16 0.362 1.295 -4.201 1.00 0.00 H +ATOM 249 HH21 ARG A 16 2.072 4.122 -3.070 1.00 0.00 H +ATOM 250 HH22 ARG A 16 0.518 3.399 -3.384 1.00 0.00 H +ATOM 251 N PRO A 17 7.293 2.215 -0.808 1.00 0.00 N +ATOM 252 CA PRO A 17 6.771 3.037 0.288 1.00 0.00 C +ATOM 253 C PRO A 17 5.246 3.279 0.193 1.00 0.00 C +ATOM 254 O PRO A 17 4.657 3.102 -0.882 1.00 0.00 O +ATOM 255 CB PRO A 17 7.554 4.355 0.201 1.00 0.00 C +ATOM 256 CG PRO A 17 7.898 4.468 -1.280 1.00 0.00 C +ATOM 257 CD PRO A 17 8.151 3.015 -1.674 1.00 0.00 C +ATOM 258 HA PRO A 17 6.993 2.548 1.239 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.949 5.182 0.518 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.473 4.272 0.782 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.081 4.884 -1.837 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.774 5.093 -1.450 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.895 2.857 -2.704 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.194 2.757 -1.486 1.00 0.00 H +ATOM 265 N PRO A 18 4.597 3.714 1.294 1.00 0.00 N +ATOM 266 CA PRO A 18 3.162 3.983 1.317 1.00 0.00 C +ATOM 267 C PRO A 18 2.768 5.182 0.431 1.00 0.00 C +ATOM 268 O PRO A 18 3.608 6.024 0.114 1.00 0.00 O +ATOM 269 CB PRO A 18 2.811 4.228 2.790 1.00 0.00 C +ATOM 270 CG PRO A 18 4.117 4.740 3.389 1.00 0.00 C +ATOM 271 CD PRO A 18 5.176 3.963 2.610 1.00 0.00 C +ATOM 272 HA PRO A 18 2.635 3.096 0.970 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.034 4.962 2.882 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.539 3.285 3.264 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.224 5.797 3.237 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.178 4.547 4.461 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.074 4.543 2.520 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.373 3.011 3.105 1.00 0.00 H +ATOM 279 N PRO A 19 1.485 5.278 0.026 1.00 0.00 N +ATOM 280 CA PRO A 19 0.982 6.372 -0.808 1.00 0.00 C +ATOM 281 C PRO A 19 0.682 7.673 -0.045 1.00 0.00 C +ATOM 282 O PRO A 19 0.626 8.727 -0.675 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.302 5.824 -1.426 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.825 4.851 -0.371 1.00 0.00 C +ATOM 285 CD PRO A 19 0.452 4.272 0.229 1.00 0.00 C +ATOM 286 HA PRO A 19 1.699 6.601 -1.599 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.008 6.612 -1.603 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.052 5.278 -2.333 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.402 5.364 0.374 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.440 4.069 -0.815 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.318 4.081 1.276 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.728 3.363 -0.309 1.00 0.00 H +ATOM 293 N SER A 20 0.482 7.598 1.276 1.00 0.00 N +ATOM 294 CA SER A 20 0.266 8.724 2.196 1.00 0.00 C +ATOM 295 C SER A 20 1.329 8.752 3.288 1.00 0.00 C +ATOM 296 O SER A 20 1.742 7.644 3.706 1.00 0.00 O +ATOM 297 CB SER A 20 -1.141 8.690 2.805 1.00 0.00 C +ATOM 298 OG SER A 20 -1.374 7.496 3.524 1.00 0.00 O +ATOM 299 OXT SER A 20 1.652 9.878 3.716 1.00 0.00 O +ATOM 300 H SER A 20 0.581 6.704 1.731 1.00 0.00 H +ATOM 301 HA SER A 20 0.368 9.660 1.645 1.00 0.00 H +ATOM 302 HB2 SER A 20 -1.251 9.524 3.471 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.884 8.784 2.011 1.00 0.00 H +ATOM 304 HG SER A 20 -0.759 7.480 4.268 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 21 +ATOM 1 N ASN A 1 -8.205 5.399 0.404 1.00 0.00 N +ATOM 2 CA ASN A 1 -8.421 4.425 -0.695 1.00 0.00 C +ATOM 3 C ASN A 1 -7.126 3.775 -1.163 1.00 0.00 C +ATOM 4 O ASN A 1 -6.987 2.568 -1.004 1.00 0.00 O +ATOM 5 CB ASN A 1 -9.214 5.043 -1.856 1.00 0.00 C +ATOM 6 CG ASN A 1 -10.664 5.161 -1.424 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.997 6.047 -0.655 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -11.516 4.226 -1.803 1.00 0.00 N +ATOM 9 H1 ASN A 1 -7.624 4.992 1.125 1.00 0.00 H +ATOM 10 H2 ASN A 1 -7.759 6.235 0.050 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.098 5.664 0.802 1.00 0.00 H +ATOM 12 HA ASN A 1 -9.021 3.603 -0.300 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.823 6.015 -2.087 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -9.147 4.412 -2.743 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -11.263 3.457 -2.402 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -12.463 4.349 -1.476 1.00 0.00 H +ATOM 17 N LEU A 2 -6.172 4.549 -1.692 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.889 4.051 -2.203 1.00 0.00 C +ATOM 19 C LEU A 2 -4.114 3.184 -1.190 1.00 0.00 C +ATOM 20 O LEU A 2 -3.509 2.181 -1.570 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.073 5.277 -2.655 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.033 5.475 -4.183 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.073 6.965 -4.529 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.762 4.845 -4.764 1.00 0.00 C +ATOM 25 H LEU A 2 -6.330 5.538 -1.816 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.081 3.408 -3.065 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.507 6.153 -2.213 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.055 5.173 -2.305 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.900 4.998 -4.643 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.100 7.324 -4.467 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.450 7.536 -3.839 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.711 7.128 -5.545 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -1.884 5.386 -4.413 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -2.688 3.801 -4.461 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -2.792 4.898 -5.853 1.00 0.00 H +ATOM 36 N TYR A 3 -4.187 3.525 0.103 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.556 2.775 1.192 1.00 0.00 C +ATOM 38 C TYR A 3 -4.000 1.305 1.250 1.00 0.00 C +ATOM 39 O TYR A 3 -3.195 0.429 1.563 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.840 3.474 2.532 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.641 3.483 3.456 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.318 2.335 4.203 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.834 4.634 3.549 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.190 2.334 5.043 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.712 4.643 4.398 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.385 3.488 5.143 1.00 0.00 C +ATOM 47 OH TYR A 3 0.689 3.483 5.975 1.00 0.00 O +ATOM 48 H TYR A 3 -4.659 4.384 0.331 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.477 2.787 1.022 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.128 4.489 2.335 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.675 2.981 3.036 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -2.934 1.451 4.126 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.071 5.516 2.968 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -0.931 1.461 5.624 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.096 5.527 4.474 1.00 0.00 H +ATOM 56 HH TYR A 3 0.536 4.026 6.750 1.00 0.00 H +ATOM 57 N ILE A 4 -5.268 1.027 0.907 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.809 -0.333 0.842 1.00 0.00 C +ATOM 59 C ILE A 4 -5.065 -1.132 -0.228 1.00 0.00 C +ATOM 60 O ILE A 4 -4.619 -2.244 0.044 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.333 -0.322 0.572 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.130 0.602 1.523 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.912 -1.748 0.626 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -7.837 0.419 3.019 1.00 0.00 C +ATOM 65 H ILE A 4 -5.853 1.783 0.573 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.628 -0.825 1.798 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.498 0.045 -0.442 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -7.904 1.618 1.263 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -9.195 0.439 1.352 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.438 -2.382 -0.123 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.755 -2.190 1.610 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.983 -1.721 0.418 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.575 -0.614 3.246 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -7.012 1.067 3.316 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.722 0.689 3.595 1.00 0.00 H +ATOM 76 N GLN A 5 -4.894 -0.554 -1.425 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.180 -1.182 -2.538 1.00 0.00 C +ATOM 78 C GLN A 5 -2.711 -1.453 -2.172 1.00 0.00 C +ATOM 79 O GLN A 5 -2.211 -2.547 -2.418 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.321 -0.301 -3.794 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.173 -1.098 -5.104 1.00 0.00 C +ATOM 82 CD GLN A 5 -2.956 -0.675 -5.920 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -1.933 -1.333 -5.943 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -3.020 0.437 -6.629 1.00 0.00 N +ATOM 85 H GLN A 5 -5.218 0.396 -1.539 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.656 -2.143 -2.729 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.289 0.161 -3.782 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.593 0.512 -3.762 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -4.079 -2.139 -4.863 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.066 -0.948 -5.712 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -3.834 1.023 -6.661 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -2.179 0.616 -7.149 1.00 0.00 H +ATOM 93 N TRP A 6 -2.050 -0.491 -1.510 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.682 -0.649 -1.004 1.00 0.00 C +ATOM 95 C TRP A 6 -0.552 -1.777 0.033 1.00 0.00 C +ATOM 96 O TRP A 6 0.343 -2.619 -0.074 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.195 0.683 -0.426 1.00 0.00 C +ATOM 98 CG TRP A 6 1.199 0.640 0.118 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.328 0.641 -0.626 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.638 0.542 1.510 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.424 0.533 0.208 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.060 0.471 1.527 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.987 0.512 2.761 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.807 0.373 2.709 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.723 0.410 3.959 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.128 0.343 3.936 1.00 0.00 C +ATOM 107 H TRP A 6 -2.536 0.387 -1.350 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.035 -0.916 -1.840 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.231 1.421 -1.204 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.865 0.995 0.375 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.362 0.708 -1.706 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.401 0.535 -0.078 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.088 0.583 2.787 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.885 0.322 2.660 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.210 0.395 4.909 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.683 0.276 4.862 1.00 0.00 H +ATOM 117 N LEU A 7 -1.451 -1.826 1.027 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.482 -2.920 2.000 1.00 0.00 C +ATOM 119 C LEU A 7 -1.770 -4.274 1.337 1.00 0.00 C +ATOM 120 O LEU A 7 -1.172 -5.271 1.735 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.494 -2.616 3.120 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.022 -1.536 4.111 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.153 -1.196 5.086 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.804 -1.981 4.934 1.00 0.00 C +ATOM 125 H LEU A 7 -2.149 -1.086 1.092 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.489 -3.014 2.435 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.409 -2.283 2.668 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.686 -3.532 3.681 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.764 -0.633 3.565 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.027 -0.854 4.530 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.418 -2.076 5.672 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.833 -0.402 5.761 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.025 -2.912 5.456 1.00 0.00 H +ATOM 134 HD22 LEU A 7 0.060 -2.128 4.287 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.552 -1.214 5.664 1.00 0.00 H +ATOM 136 N LYS A 8 -2.622 -4.312 0.302 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.964 -5.533 -0.446 1.00 0.00 C +ATOM 138 C LYS A 8 -1.748 -6.215 -1.087 1.00 0.00 C +ATOM 139 O LYS A 8 -1.680 -7.440 -1.095 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.040 -5.202 -1.495 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.019 -6.365 -1.703 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.311 -5.884 -2.382 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.429 -6.917 -2.201 1.00 0.00 C +ATOM 144 NZ LYS A 8 -8.063 -6.804 -0.863 1.00 0.00 N +ATOM 145 H LYS A 8 -3.107 -3.448 0.065 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.372 -6.243 0.275 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.590 -4.341 -1.167 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.577 -4.927 -2.444 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.554 -7.109 -2.321 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.268 -6.792 -0.732 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.615 -4.953 -1.943 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.116 -5.737 -3.446 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -8.176 -6.759 -2.955 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.998 -7.914 -2.334 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -7.353 -6.774 -0.143 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -8.612 -5.957 -0.808 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -8.670 -7.595 -0.691 1.00 0.00 H +ATOM 158 N ASP A 9 -0.774 -5.426 -1.557 1.00 0.00 N +ATOM 159 CA ASP A 9 0.530 -5.873 -2.078 1.00 0.00 C +ATOM 160 C ASP A 9 1.485 -6.399 -0.981 1.00 0.00 C +ATOM 161 O ASP A 9 2.573 -6.882 -1.301 1.00 0.00 O +ATOM 162 CB ASP A 9 1.212 -4.694 -2.814 1.00 0.00 C +ATOM 163 CG ASP A 9 1.583 -4.991 -4.272 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.662 -5.343 -5.038 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.782 -4.809 -4.612 1.00 0.00 O +ATOM 166 H ASP A 9 -0.962 -4.430 -1.556 1.00 0.00 H +ATOM 167 HA ASP A 9 0.358 -6.689 -2.785 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.541 -3.857 -2.802 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.121 -4.414 -2.279 1.00 0.00 H +ATOM 170 N GLY A 10 1.125 -6.270 0.304 1.00 0.00 N +ATOM 171 CA GLY A 10 1.936 -6.685 1.451 1.00 0.00 C +ATOM 172 C GLY A 10 2.565 -5.530 2.237 1.00 0.00 C +ATOM 173 O GLY A 10 3.424 -5.778 3.084 1.00 0.00 O +ATOM 174 H GLY A 10 0.211 -5.877 0.508 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.298 -7.243 2.136 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.735 -7.352 1.125 1.00 0.00 H +ATOM 177 N GLY A 11 2.184 -4.272 1.973 1.00 0.00 N +ATOM 178 CA GLY A 11 2.732 -3.116 2.683 1.00 0.00 C +ATOM 179 C GLY A 11 4.265 -3.035 2.545 1.00 0.00 C +ATOM 180 O GLY A 11 4.771 -3.134 1.422 1.00 0.00 O +ATOM 181 H GLY A 11 1.507 -4.103 1.237 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.296 -2.204 2.279 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.443 -3.201 3.729 1.00 0.00 H +ATOM 184 N PRO A 12 5.029 -2.881 3.651 1.00 0.00 N +ATOM 185 CA PRO A 12 6.491 -2.829 3.600 1.00 0.00 C +ATOM 186 C PRO A 12 7.138 -4.072 2.966 1.00 0.00 C +ATOM 187 O PRO A 12 8.211 -3.949 2.375 1.00 0.00 O +ATOM 188 CB PRO A 12 6.970 -2.642 5.048 1.00 0.00 C +ATOM 189 CG PRO A 12 5.734 -2.162 5.806 1.00 0.00 C +ATOM 190 CD PRO A 12 4.578 -2.795 5.033 1.00 0.00 C +ATOM 191 HA PRO A 12 6.783 -1.953 3.019 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.325 -3.570 5.452 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.775 -1.907 5.107 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.750 -2.505 6.823 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.663 -1.077 5.744 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.362 -3.773 5.418 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.684 -2.179 5.140 1.00 0.00 H +ATOM 198 N SER A 13 6.492 -5.249 3.030 1.00 0.00 N +ATOM 199 CA SER A 13 7.032 -6.510 2.502 1.00 0.00 C +ATOM 200 C SER A 13 7.252 -6.475 0.991 1.00 0.00 C +ATOM 201 O SER A 13 8.198 -7.085 0.501 1.00 0.00 O +ATOM 202 CB SER A 13 6.085 -7.675 2.806 1.00 0.00 C +ATOM 203 OG SER A 13 5.872 -7.807 4.197 1.00 0.00 O +ATOM 204 H SER A 13 5.578 -5.299 3.472 1.00 0.00 H +ATOM 205 HA SER A 13 7.994 -6.707 2.977 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.144 -7.497 2.322 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.513 -8.600 2.417 1.00 0.00 H +ATOM 208 HG SER A 13 6.506 -8.436 4.551 1.00 0.00 H +ATOM 209 N SER A 14 6.398 -5.751 0.257 1.00 0.00 N +ATOM 210 CA SER A 14 6.540 -5.569 -1.189 1.00 0.00 C +ATOM 211 C SER A 14 7.723 -4.673 -1.582 1.00 0.00 C +ATOM 212 O SER A 14 8.110 -4.660 -2.750 1.00 0.00 O +ATOM 213 CB SER A 14 5.248 -4.986 -1.771 1.00 0.00 C +ATOM 214 OG SER A 14 4.583 -5.979 -2.515 1.00 0.00 O +ATOM 215 H SER A 14 5.654 -5.262 0.743 1.00 0.00 H +ATOM 216 HA SER A 14 6.710 -6.543 -1.651 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.614 -4.652 -0.972 1.00 0.00 H +ATOM 218 HB3 SER A 14 5.507 -4.180 -2.451 1.00 0.00 H +ATOM 219 HG SER A 14 3.809 -6.342 -2.003 1.00 0.00 H +ATOM 220 N GLY A 15 8.298 -3.917 -0.635 1.00 0.00 N +ATOM 221 CA GLY A 15 9.467 -3.068 -0.877 1.00 0.00 C +ATOM 222 C GLY A 15 9.130 -1.720 -1.522 1.00 0.00 C +ATOM 223 O GLY A 15 9.898 -1.231 -2.349 1.00 0.00 O +ATOM 224 H GLY A 15 7.970 -4.008 0.322 1.00 0.00 H +ATOM 225 HA2 GLY A 15 9.963 -2.879 0.074 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.166 -3.596 -1.527 1.00 0.00 H +ATOM 227 N ARG A 16 7.986 -1.120 -1.164 1.00 0.00 N +ATOM 228 CA ARG A 16 7.493 0.155 -1.712 1.00 0.00 C +ATOM 229 C ARG A 16 6.893 1.052 -0.617 1.00 0.00 C +ATOM 230 O ARG A 16 6.228 0.526 0.276 1.00 0.00 O +ATOM 231 CB ARG A 16 6.486 -0.108 -2.852 1.00 0.00 C +ATOM 232 CG ARG A 16 5.371 -1.121 -2.515 1.00 0.00 C +ATOM 233 CD ARG A 16 4.390 -1.352 -3.682 1.00 0.00 C +ATOM 234 NE ARG A 16 4.505 -2.695 -4.282 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.417 -3.159 -5.117 1.00 0.00 C +ATOM 236 NH1 ARG A 16 6.381 -2.403 -5.595 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.336 -4.410 -5.482 1.00 0.00 N +ATOM 238 H ARG A 16 7.428 -1.572 -0.451 1.00 0.00 H +ATOM 239 HA ARG A 16 8.348 0.677 -2.139 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.022 0.825 -3.109 1.00 0.00 H +ATOM 241 HB3 ARG A 16 7.046 -0.475 -3.709 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.827 -2.059 -2.261 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.805 -0.751 -1.666 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.389 -1.227 -3.316 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.531 -0.590 -4.449 1.00 0.00 H +ATOM 246 HE ARG A 16 3.776 -3.394 -4.104 1.00 0.00 H +ATOM 247 HH11 ARG A 16 6.393 -1.440 -5.320 1.00 0.00 H +ATOM 248 HH12 ARG A 16 7.062 -2.775 -6.231 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.489 -4.903 -5.147 1.00 0.00 H +ATOM 250 HH22 ARG A 16 6.023 -4.858 -6.055 1.00 0.00 H +ATOM 251 N PRO A 17 7.075 2.387 -0.684 1.00 0.00 N +ATOM 252 CA PRO A 17 6.538 3.322 0.308 1.00 0.00 C +ATOM 253 C PRO A 17 5.011 3.481 0.186 1.00 0.00 C +ATOM 254 O PRO A 17 4.452 3.191 -0.874 1.00 0.00 O +ATOM 255 CB PRO A 17 7.258 4.647 0.031 1.00 0.00 C +ATOM 256 CG PRO A 17 7.545 4.595 -1.468 1.00 0.00 C +ATOM 257 CD PRO A 17 7.782 3.109 -1.733 1.00 0.00 C +ATOM 258 HA PRO A 17 6.789 2.972 1.310 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.629 5.482 0.272 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.199 4.671 0.582 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.707 4.957 -2.032 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.418 5.192 -1.732 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.395 2.837 -2.696 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.849 2.890 -1.670 1.00 0.00 H +ATOM 265 N PRO A 18 4.330 3.962 1.245 1.00 0.00 N +ATOM 266 CA PRO A 18 2.890 4.179 1.221 1.00 0.00 C +ATOM 267 C PRO A 18 2.501 5.385 0.341 1.00 0.00 C +ATOM 268 O PRO A 18 3.270 6.342 0.211 1.00 0.00 O +ATOM 269 CB PRO A 18 2.483 4.404 2.680 1.00 0.00 C +ATOM 270 CG PRO A 18 3.743 4.989 3.313 1.00 0.00 C +ATOM 271 CD PRO A 18 4.873 4.294 2.554 1.00 0.00 C +ATOM 272 HA PRO A 18 2.410 3.277 0.849 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.664 5.093 2.748 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.248 3.446 3.144 1.00 0.00 H +ATOM 275 HG2 PRO A 18 3.784 6.052 3.175 1.00 0.00 H +ATOM 276 HG3 PRO A 18 3.788 4.783 4.383 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.715 4.952 2.453 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.153 3.376 3.072 1.00 0.00 H +ATOM 279 N PRO A 19 1.280 5.377 -0.223 1.00 0.00 N +ATOM 280 CA PRO A 19 0.762 6.450 -1.060 1.00 0.00 C +ATOM 281 C PRO A 19 0.382 7.663 -0.198 1.00 0.00 C +ATOM 282 O PRO A 19 -0.624 7.631 0.512 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.435 5.840 -1.790 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.951 4.783 -0.812 1.00 0.00 C +ATOM 285 CD PRO A 19 0.299 4.311 -0.088 1.00 0.00 C +ATOM 286 HA PRO A 19 1.508 6.751 -1.796 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.185 6.582 -1.983 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.088 5.348 -2.699 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.652 5.211 -0.122 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.423 3.952 -1.333 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.083 4.134 0.948 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.683 3.414 -0.572 1.00 0.00 H +ATOM 293 N SER A 20 1.217 8.708 -0.251 1.00 0.00 N +ATOM 294 CA SER A 20 0.998 10.004 0.410 1.00 0.00 C +ATOM 295 C SER A 20 0.315 10.992 -0.534 1.00 0.00 C +ATOM 296 O SER A 20 0.887 11.215 -1.624 1.00 0.00 O +ATOM 297 CB SER A 20 2.322 10.595 0.894 1.00 0.00 C +ATOM 298 OG SER A 20 2.966 9.680 1.760 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.750 11.510 -0.139 1.00 0.00 O +ATOM 300 H SER A 20 1.987 8.656 -0.900 1.00 0.00 H +ATOM 301 HA SER A 20 0.337 9.875 1.267 1.00 0.00 H +ATOM 302 HB2 SER A 20 2.954 10.792 0.050 1.00 0.00 H +ATOM 303 HB3 SER A 20 2.127 11.529 1.425 1.00 0.00 H +ATOM 304 HG SER A 20 3.007 8.832 1.306 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 22 +ATOM 1 N ASN A 1 -7.147 6.420 -0.321 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.735 5.239 -1.002 1.00 0.00 C +ATOM 3 C ASN A 1 -6.654 4.233 -1.423 1.00 0.00 C +ATOM 4 O ASN A 1 -6.828 3.043 -1.189 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.631 5.670 -2.180 1.00 0.00 C +ATOM 6 CG ASN A 1 -7.791 6.178 -3.342 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -6.938 7.030 -3.134 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -7.925 5.610 -4.527 1.00 0.00 N +ATOM 9 H1 ASN A 1 -6.444 6.132 0.344 1.00 0.00 H +ATOM 10 H2 ASN A 1 -6.730 7.032 -1.016 1.00 0.00 H +ATOM 11 H3 ASN A 1 -7.869 6.934 0.166 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.365 4.712 -0.285 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -9.211 4.828 -2.507 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -9.301 6.470 -1.860 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -8.593 4.875 -4.704 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -7.334 5.964 -5.263 1.00 0.00 H +ATOM 17 N LEU A 2 -5.522 4.698 -1.980 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.409 3.863 -2.457 1.00 0.00 C +ATOM 19 C LEU A 2 -3.793 2.972 -1.363 1.00 0.00 C +ATOM 20 O LEU A 2 -3.233 1.920 -1.669 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.326 4.784 -3.046 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.749 5.553 -4.315 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -2.850 6.776 -4.507 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.680 4.665 -5.559 1.00 0.00 C +ATOM 25 H LEU A 2 -5.460 5.679 -2.226 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.775 3.199 -3.243 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.054 5.502 -2.296 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.440 4.192 -3.280 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.770 5.913 -4.203 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -2.889 7.409 -3.621 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -1.821 6.467 -4.687 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.206 7.360 -5.357 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.700 4.193 -5.633 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -4.449 3.893 -5.510 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.847 5.268 -6.452 1.00 0.00 H +ATOM 36 N TYR A 3 -3.931 3.366 -0.089 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.447 2.623 1.074 1.00 0.00 C +ATOM 38 C TYR A 3 -3.964 1.180 1.109 1.00 0.00 C +ATOM 39 O TYR A 3 -3.229 0.272 1.491 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.837 3.358 2.368 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.695 3.445 3.358 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.319 2.321 4.114 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.990 4.653 3.499 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.242 2.408 5.016 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.914 4.751 4.400 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.539 3.622 5.162 1.00 0.00 C +ATOM 47 OH TYR A 3 0.485 3.702 6.054 1.00 0.00 O +ATOM 48 H TYR A 3 -4.371 4.256 0.070 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.359 2.584 1.015 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.150 4.353 2.117 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.678 2.850 2.844 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -2.858 1.392 4.001 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.289 5.504 2.906 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -0.942 1.554 5.604 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.364 5.678 4.516 1.00 0.00 H +ATOM 56 HH TYR A 3 0.190 4.071 6.890 1.00 0.00 H +ATOM 57 N ILE A 4 -5.213 0.963 0.670 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.823 -0.366 0.587 1.00 0.00 C +ATOM 59 C ILE A 4 -5.035 -1.235 -0.401 1.00 0.00 C +ATOM 60 O ILE A 4 -4.639 -2.349 -0.066 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.315 -0.267 0.189 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.131 0.588 1.186 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.906 -1.688 0.098 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.426 1.134 0.567 1.00 0.00 C +ATOM 65 H ILE A 4 -5.742 1.753 0.322 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.754 -0.841 1.568 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.380 0.200 -0.796 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.384 -0.019 2.034 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.554 1.453 1.513 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.613 -2.155 -0.842 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.546 -2.302 0.925 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.995 -1.665 0.139 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -9.186 1.834 -0.233 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -10.035 0.325 0.163 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -10.000 1.657 1.332 1.00 0.00 H +ATOM 76 N GLN A 5 -4.770 -0.707 -1.602 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.004 -1.401 -2.634 1.00 0.00 C +ATOM 78 C GLN A 5 -2.557 -1.659 -2.193 1.00 0.00 C +ATOM 79 O GLN A 5 -2.034 -2.749 -2.416 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.064 -0.600 -3.951 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.101 -1.517 -5.182 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.437 -2.250 -5.294 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -6.433 -1.708 -5.744 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -5.519 -3.495 -4.863 1.00 0.00 N +ATOM 85 H GLN A 5 -5.062 0.244 -1.779 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.475 -2.372 -2.776 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.948 0.009 -3.946 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.195 0.059 -4.019 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -3.954 -0.923 -6.064 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -3.280 -2.234 -5.138 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.727 -3.993 -4.495 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -6.432 -3.902 -4.971 1.00 0.00 H +ATOM 93 N TRP A 6 -1.937 -0.681 -1.518 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.600 -0.811 -0.937 1.00 0.00 C +ATOM 95 C TRP A 6 -0.532 -1.917 0.130 1.00 0.00 C +ATOM 96 O TRP A 6 0.363 -2.764 0.091 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.164 0.545 -0.369 1.00 0.00 C +ATOM 98 CG TRP A 6 1.216 0.547 0.205 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.366 0.594 -0.508 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.619 0.456 1.606 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.444 0.504 0.353 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.043 0.441 1.664 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.931 0.375 2.834 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.753 0.369 2.869 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.631 0.287 4.054 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.038 0.291 4.074 1.00 0.00 C +ATOM 107 H TRP A 6 -2.437 0.199 -1.406 1.00 0.00 H +ATOM 108 HA TRP A 6 0.095 -1.089 -1.730 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.202 1.270 -1.159 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.861 0.845 0.413 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.421 0.666 -1.584 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.427 0.496 0.079 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.148 0.387 2.825 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.834 0.356 2.853 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.088 0.221 4.984 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.566 0.226 5.014 1.00 0.00 H +ATOM 117 N LEU A 7 -1.493 -1.950 1.062 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.591 -3.020 2.054 1.00 0.00 C +ATOM 119 C LEU A 7 -1.887 -4.379 1.416 1.00 0.00 C +ATOM 120 O LEU A 7 -1.332 -5.379 1.867 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.648 -2.680 3.119 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.204 -1.596 4.116 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.353 -1.276 5.075 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.992 -2.019 4.955 1.00 0.00 C +ATOM 125 H LEU A 7 -2.199 -1.215 1.063 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.619 -3.132 2.532 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.533 -2.337 2.619 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.884 -3.585 3.682 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.950 -0.690 3.572 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.247 -1.017 4.508 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.565 -2.140 5.705 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.079 -0.432 5.708 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.200 -2.960 5.466 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.115 -2.141 4.324 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.770 -1.251 5.695 1.00 0.00 H +ATOM 136 N LYS A 8 -2.704 -4.425 0.351 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.024 -5.667 -0.363 1.00 0.00 C +ATOM 138 C LYS A 8 -1.783 -6.379 -0.902 1.00 0.00 C +ATOM 139 O LYS A 8 -1.714 -7.603 -0.824 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.029 -5.384 -1.498 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.718 -6.666 -1.991 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.727 -7.192 -0.954 1.00 0.00 C +ATOM 143 CE LYS A 8 -5.697 -8.722 -0.865 1.00 0.00 C +ATOM 144 NZ LYS A 8 -6.010 -9.184 0.509 1.00 0.00 N +ATOM 145 H LYS A 8 -3.166 -3.563 0.071 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.461 -6.347 0.365 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.778 -4.706 -1.137 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.501 -4.924 -2.335 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.236 -6.455 -2.907 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -3.961 -7.422 -2.206 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.484 -6.782 0.007 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.729 -6.861 -1.233 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.422 -9.127 -1.544 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -4.703 -9.081 -1.147 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -5.172 -9.166 1.076 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -6.699 -8.578 0.933 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -6.369 -10.130 0.493 1.00 0.00 H +ATOM 158 N ASP A 9 -0.814 -5.616 -1.411 1.00 0.00 N +ATOM 159 CA ASP A 9 0.466 -6.130 -1.902 1.00 0.00 C +ATOM 160 C ASP A 9 1.395 -6.627 -0.772 1.00 0.00 C +ATOM 161 O ASP A 9 2.377 -7.317 -1.041 1.00 0.00 O +ATOM 162 CB ASP A 9 1.145 -5.018 -2.722 1.00 0.00 C +ATOM 163 CG ASP A 9 2.033 -5.572 -3.840 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.217 -5.858 -3.563 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.516 -5.670 -4.975 1.00 0.00 O +ATOM 166 H ASP A 9 -0.985 -4.619 -1.475 1.00 0.00 H +ATOM 167 HA ASP A 9 0.267 -6.973 -2.567 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.385 -4.401 -3.160 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.730 -4.377 -2.062 1.00 0.00 H +ATOM 170 N GLY A 10 1.124 -6.267 0.493 1.00 0.00 N +ATOM 171 CA GLY A 10 1.948 -6.626 1.656 1.00 0.00 C +ATOM 172 C GLY A 10 2.533 -5.439 2.437 1.00 0.00 C +ATOM 173 O GLY A 10 3.358 -5.653 3.329 1.00 0.00 O +ATOM 174 H GLY A 10 0.279 -5.730 0.656 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.331 -7.206 2.341 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.781 -7.257 1.345 1.00 0.00 H +ATOM 177 N GLY A 11 2.128 -4.200 2.126 1.00 0.00 N +ATOM 178 CA GLY A 11 2.561 -2.998 2.829 1.00 0.00 C +ATOM 179 C GLY A 11 4.092 -2.817 2.806 1.00 0.00 C +ATOM 180 O GLY A 11 4.667 -2.692 1.724 1.00 0.00 O +ATOM 181 H GLY A 11 1.538 -4.070 1.311 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.108 -2.134 2.348 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.187 -3.048 3.848 1.00 0.00 H +ATOM 184 N PRO A 12 4.785 -2.805 3.967 1.00 0.00 N +ATOM 185 CA PRO A 12 6.246 -2.706 4.011 1.00 0.00 C +ATOM 186 C PRO A 12 6.976 -3.836 3.263 1.00 0.00 C +ATOM 187 O PRO A 12 8.113 -3.645 2.838 1.00 0.00 O +ATOM 188 CB PRO A 12 6.631 -2.710 5.496 1.00 0.00 C +ATOM 189 CG PRO A 12 5.341 -2.359 6.233 1.00 0.00 C +ATOM 190 CD PRO A 12 4.243 -2.888 5.316 1.00 0.00 C +ATOM 191 HA PRO A 12 6.540 -1.751 3.570 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.984 -3.679 5.793 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.415 -1.982 5.705 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.305 -2.841 7.191 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.252 -1.274 6.318 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.007 -3.905 5.563 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.346 -2.281 5.435 1.00 0.00 H +ATOM 198 N SER A 13 6.332 -4.997 3.071 1.00 0.00 N +ATOM 199 CA SER A 13 6.911 -6.174 2.405 1.00 0.00 C +ATOM 200 C SER A 13 6.618 -6.217 0.896 1.00 0.00 C +ATOM 201 O SER A 13 6.579 -7.294 0.305 1.00 0.00 O +ATOM 202 CB SER A 13 6.458 -7.466 3.098 1.00 0.00 C +ATOM 203 OG SER A 13 6.899 -7.491 4.441 1.00 0.00 O +ATOM 204 H SER A 13 5.358 -5.057 3.358 1.00 0.00 H +ATOM 205 HA SER A 13 7.997 -6.129 2.500 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.387 -7.520 3.078 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.893 -8.322 2.581 1.00 0.00 H +ATOM 208 HG SER A 13 6.357 -6.887 4.951 1.00 0.00 H +ATOM 209 N SER A 14 6.432 -5.052 0.265 1.00 0.00 N +ATOM 210 CA SER A 14 6.076 -4.919 -1.157 1.00 0.00 C +ATOM 211 C SER A 14 7.132 -4.174 -1.984 1.00 0.00 C +ATOM 212 O SER A 14 6.929 -3.921 -3.169 1.00 0.00 O +ATOM 213 CB SER A 14 4.715 -4.232 -1.266 1.00 0.00 C +ATOM 214 OG SER A 14 3.775 -4.945 -0.496 1.00 0.00 O +ATOM 215 H SER A 14 6.365 -4.227 0.848 1.00 0.00 H +ATOM 216 HA SER A 14 5.970 -5.909 -1.604 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.790 -3.226 -0.900 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.396 -4.200 -2.306 1.00 0.00 H +ATOM 219 HG SER A 14 3.597 -5.804 -0.924 1.00 0.00 H +ATOM 220 N GLY A 15 8.259 -3.794 -1.363 1.00 0.00 N +ATOM 221 CA GLY A 15 9.337 -3.046 -2.017 1.00 0.00 C +ATOM 222 C GLY A 15 8.945 -1.615 -2.403 1.00 0.00 C +ATOM 223 O GLY A 15 9.471 -1.083 -3.379 1.00 0.00 O +ATOM 224 H GLY A 15 8.370 -4.078 -0.400 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.194 -2.991 -1.346 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.646 -3.574 -2.921 1.00 0.00 H +ATOM 227 N ARG A 16 8.005 -1.001 -1.666 1.00 0.00 N +ATOM 228 CA ARG A 16 7.468 0.335 -1.947 1.00 0.00 C +ATOM 229 C ARG A 16 6.939 1.037 -0.683 1.00 0.00 C +ATOM 230 O ARG A 16 6.297 0.382 0.141 1.00 0.00 O +ATOM 231 CB ARG A 16 6.363 0.241 -3.014 1.00 0.00 C +ATOM 232 CG ARG A 16 5.268 -0.802 -2.713 1.00 0.00 C +ATOM 233 CD ARG A 16 4.161 -0.846 -3.770 1.00 0.00 C +ATOM 234 NE ARG A 16 4.681 -1.237 -5.095 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.016 -0.436 -6.099 1.00 0.00 C +ATOM 236 NH1 ARG A 16 4.910 0.871 -6.014 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.479 -0.936 -7.220 1.00 0.00 N +ATOM 238 H ARG A 16 7.638 -1.499 -0.867 1.00 0.00 H +ATOM 239 HA ARG A 16 8.282 0.927 -2.362 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.895 1.203 -3.097 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.844 -0.019 -3.959 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.727 -1.771 -2.660 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.810 -0.587 -1.750 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.418 -1.558 -3.465 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.662 0.123 -3.814 1.00 0.00 H +ATOM 246 HE ARG A 16 4.831 -2.228 -5.227 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.571 1.257 -5.151 1.00 0.00 H +ATOM 248 HH12 ARG A 16 5.171 1.470 -6.773 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.580 -1.932 -7.319 1.00 0.00 H +ATOM 250 HH22 ARG A 16 5.740 -0.329 -7.975 1.00 0.00 H +ATOM 251 N PRO A 17 7.146 2.361 -0.541 1.00 0.00 N +ATOM 252 CA PRO A 17 6.642 3.137 0.592 1.00 0.00 C +ATOM 253 C PRO A 17 5.117 3.361 0.511 1.00 0.00 C +ATOM 254 O PRO A 17 4.532 3.158 -0.557 1.00 0.00 O +ATOM 255 CB PRO A 17 7.416 4.460 0.520 1.00 0.00 C +ATOM 256 CG PRO A 17 7.671 4.652 -0.972 1.00 0.00 C +ATOM 257 CD PRO A 17 7.829 3.228 -1.493 1.00 0.00 C +ATOM 258 HA PRO A 17 6.878 2.623 1.524 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.830 5.268 0.915 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.368 4.346 1.042 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.841 5.143 -1.443 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.569 5.244 -1.152 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.382 3.137 -2.464 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.886 2.963 -1.532 1.00 0.00 H +ATOM 265 N PRO A 18 4.468 3.790 1.613 1.00 0.00 N +ATOM 266 CA PRO A 18 3.035 4.076 1.629 1.00 0.00 C +ATOM 267 C PRO A 18 2.678 5.275 0.730 1.00 0.00 C +ATOM 268 O PRO A 18 3.501 6.177 0.557 1.00 0.00 O +ATOM 269 CB PRO A 18 2.681 4.342 3.098 1.00 0.00 C +ATOM 270 CG PRO A 18 3.998 4.812 3.711 1.00 0.00 C +ATOM 271 CD PRO A 18 5.049 4.030 2.928 1.00 0.00 C +ATOM 272 HA PRO A 18 2.502 3.188 1.294 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.929 5.103 3.178 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.369 3.411 3.573 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.128 5.869 3.579 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.048 4.597 4.778 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.952 4.603 2.839 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.240 3.074 3.417 1.00 0.00 H +ATOM 279 N PRO A 19 1.456 5.312 0.158 1.00 0.00 N +ATOM 280 CA PRO A 19 1.020 6.389 -0.730 1.00 0.00 C +ATOM 281 C PRO A 19 0.573 7.658 0.014 1.00 0.00 C +ATOM 282 O PRO A 19 0.781 8.756 -0.501 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.147 5.799 -1.525 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.739 4.750 -0.582 1.00 0.00 C +ATOM 285 CD PRO A 19 0.461 4.252 0.217 1.00 0.00 C +ATOM 286 HA PRO A 19 1.824 6.660 -1.417 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.871 6.555 -1.758 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.235 5.311 -2.422 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.472 5.190 0.066 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.196 3.933 -1.136 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.178 4.064 1.235 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.863 3.356 -0.255 1.00 0.00 H +ATOM 293 N SER A 20 -0.071 7.506 1.180 1.00 0.00 N +ATOM 294 CA SER A 20 -0.495 8.598 2.070 1.00 0.00 C +ATOM 295 C SER A 20 0.609 8.944 3.064 1.00 0.00 C +ATOM 296 O SER A 20 0.894 10.155 3.181 1.00 0.00 O +ATOM 297 CB SER A 20 -1.736 8.215 2.879 1.00 0.00 C +ATOM 298 OG SER A 20 -2.830 7.879 2.044 1.00 0.00 O +ATOM 299 OXT SER A 20 1.084 7.996 3.730 1.00 0.00 O +ATOM 300 H SER A 20 -0.157 6.569 1.538 1.00 0.00 H +ATOM 301 HA SER A 20 -0.699 9.493 1.486 1.00 0.00 H +ATOM 302 HB2 SER A 20 -1.500 7.370 3.497 1.00 0.00 H +ATOM 303 HB3 SER A 20 -2.011 9.052 3.523 1.00 0.00 H +ATOM 304 HG SER A 20 -3.169 8.700 1.678 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 23 +ATOM 1 N ASN A 1 -8.995 5.512 -1.807 1.00 0.00 N +ATOM 2 CA ASN A 1 -8.139 5.500 -0.596 1.00 0.00 C +ATOM 3 C ASN A 1 -6.657 5.213 -0.847 1.00 0.00 C +ATOM 4 O ASN A 1 -5.857 5.704 -0.062 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.684 4.564 0.498 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.123 5.373 1.709 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.305 5.507 1.971 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -8.201 5.977 2.436 1.00 0.00 N +ATOM 9 H1 ASN A 1 -8.610 6.132 -2.507 1.00 0.00 H +ATOM 10 H2 ASN A 1 -9.086 4.582 -2.189 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.920 5.841 -1.561 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.157 6.511 -0.184 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -9.524 4.019 0.112 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -7.920 3.855 0.818 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -7.210 5.924 2.252 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -8.568 6.492 3.222 1.00 0.00 H +ATOM 17 N LEU A 2 -6.287 4.419 -1.870 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.918 3.992 -2.233 1.00 0.00 C +ATOM 19 C LEU A 2 -4.198 3.117 -1.189 1.00 0.00 C +ATOM 20 O LEU A 2 -3.649 2.074 -1.544 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.033 5.181 -2.661 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.577 5.992 -3.859 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -5.182 7.328 -3.410 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.464 6.283 -4.867 1.00 0.00 C +ATOM 25 H LEU A 2 -6.993 4.011 -2.461 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.014 3.355 -3.115 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.937 5.845 -1.824 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.061 4.766 -2.935 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.348 5.414 -4.371 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -6.031 7.162 -2.754 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -4.432 7.916 -2.879 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -5.517 7.893 -4.282 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.669 6.860 -4.395 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -3.056 5.346 -5.245 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.867 6.848 -5.709 1.00 0.00 H +ATOM 36 N TYR A 3 -4.220 3.498 0.091 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.550 2.790 1.185 1.00 0.00 C +ATOM 38 C TYR A 3 -3.980 1.315 1.283 1.00 0.00 C +ATOM 39 O TYR A 3 -3.150 0.440 1.515 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.809 3.544 2.496 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.752 3.301 3.554 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.869 2.215 4.443 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.653 4.178 3.655 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.899 2.018 5.443 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.683 3.985 4.655 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.812 2.911 5.561 1.00 0.00 C +ATOM 47 OH TYR A 3 0.085 2.742 6.568 1.00 0.00 O +ATOM 48 H TYR A 3 -4.660 4.395 0.286 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.478 2.809 0.991 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.840 4.595 2.283 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.790 3.270 2.890 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.710 1.538 4.369 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.555 5.018 2.982 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.977 1.210 6.151 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.149 4.672 4.736 1.00 0.00 H +ATOM 56 HH TYR A 3 0.563 3.552 6.750 1.00 0.00 H +ATOM 57 N ILE A 4 -5.264 1.030 1.024 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.827 -0.326 0.952 1.00 0.00 C +ATOM 59 C ILE A 4 -5.114 -1.151 -0.131 1.00 0.00 C +ATOM 60 O ILE A 4 -4.658 -2.257 0.147 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.356 -0.272 0.705 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.110 0.581 1.757 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.947 -1.695 0.687 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.451 1.106 1.228 1.00 0.00 C +ATOM 65 H ILE A 4 -5.870 1.816 0.855 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.652 -0.820 1.909 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.515 0.178 -0.278 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.294 -0.024 2.624 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.523 1.453 2.040 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.530 -2.276 -0.135 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.726 -2.202 1.628 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.028 -1.659 0.555 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -9.295 1.636 0.288 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -10.147 0.285 1.062 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.883 1.794 1.955 1.00 0.00 H +ATOM 76 N GLN A 5 -4.980 -0.613 -1.354 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.248 -1.254 -2.452 1.00 0.00 C +ATOM 78 C GLN A 5 -2.764 -1.451 -2.115 1.00 0.00 C +ATOM 79 O GLN A 5 -2.210 -2.510 -2.406 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.397 -0.444 -3.752 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.780 -0.585 -4.421 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.677 -1.049 -5.874 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.908 -0.532 -6.667 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.453 -2.034 -6.287 1.00 0.00 N +ATOM 85 H GLN A 5 -5.284 0.340 -1.486 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.665 -2.247 -2.623 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.235 0.592 -3.525 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.627 -0.786 -4.446 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -6.358 -1.301 -3.870 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.280 0.383 -4.410 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.135 -2.486 -5.703 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -6.309 -2.278 -7.253 1.00 0.00 H +ATOM 93 N TRP A 6 -2.122 -0.471 -1.467 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.752 -0.626 -0.970 1.00 0.00 C +ATOM 95 C TRP A 6 -0.626 -1.773 0.051 1.00 0.00 C +ATOM 96 O TRP A 6 0.275 -2.606 -0.073 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.246 0.708 -0.409 1.00 0.00 C +ATOM 98 CG TRP A 6 1.122 0.638 0.187 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.283 0.580 -0.505 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.498 0.590 1.599 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.337 0.446 0.374 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.919 0.485 1.681 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.791 0.638 2.820 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.609 0.442 2.898 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.472 0.592 4.050 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.875 0.504 4.093 1.00 0.00 C +ATOM 107 H TRP A 6 -2.627 0.394 -1.292 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.116 -0.900 -1.810 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.230 1.425 -1.207 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.932 1.060 0.358 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.377 0.619 -1.579 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.319 0.364 0.099 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.286 0.722 2.803 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.686 0.366 2.903 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 0.916 0.637 4.976 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.385 0.485 5.046 1.00 0.00 H +ATOM 117 N LEU A 7 -1.546 -1.866 1.019 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.600 -2.993 1.954 1.00 0.00 C +ATOM 119 C LEU A 7 -1.891 -4.331 1.257 1.00 0.00 C +ATOM 120 O LEU A 7 -1.258 -5.322 1.617 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.629 -2.736 3.069 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.255 -1.624 4.066 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.410 -1.464 5.059 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.975 -1.930 4.852 1.00 0.00 C +ATOM 125 H LEU A 7 -2.238 -1.124 1.101 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.616 -3.103 2.408 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.559 -2.467 2.606 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.758 -3.662 3.632 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.117 -0.684 3.539 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.330 -1.232 4.522 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.546 -2.384 5.627 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.198 -0.653 5.753 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.059 -2.897 5.349 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.117 -1.940 4.182 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.809 -1.154 5.600 1.00 0.00 H +ATOM 136 N LYS A 8 -2.780 -4.375 0.246 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.068 -5.596 -0.534 1.00 0.00 C +ATOM 138 C LYS A 8 -1.816 -6.219 -1.151 1.00 0.00 C +ATOM 139 O LYS A 8 -1.740 -7.439 -1.237 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.081 -5.335 -1.662 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.498 -4.986 -1.175 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.576 -5.917 -1.747 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.443 -7.334 -1.176 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.563 -8.199 -1.611 1.00 0.00 N +ATOM 145 H LYS A 8 -3.304 -3.525 0.051 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.475 -6.350 0.141 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.719 -4.518 -2.256 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -4.124 -6.228 -2.289 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.519 -5.056 -0.105 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.730 -3.973 -1.499 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -7.544 -5.528 -1.496 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.493 -5.943 -2.836 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -5.519 -7.762 -1.515 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.423 -7.269 -0.084 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.442 -7.832 -1.266 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.603 -8.242 -2.621 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -7.442 -9.138 -1.253 1.00 0.00 H +ATOM 158 N ASP A 9 -0.849 -5.393 -1.556 1.00 0.00 N +ATOM 159 CA ASP A 9 0.436 -5.853 -2.083 1.00 0.00 C +ATOM 160 C ASP A 9 1.332 -6.506 -1.009 1.00 0.00 C +ATOM 161 O ASP A 9 2.223 -7.275 -1.345 1.00 0.00 O +ATOM 162 CB ASP A 9 1.145 -4.662 -2.744 1.00 0.00 C +ATOM 163 CG ASP A 9 2.097 -5.123 -3.846 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.259 -5.441 -3.507 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.661 -5.116 -5.015 1.00 0.00 O +ATOM 166 H ASP A 9 -1.027 -4.396 -1.508 1.00 0.00 H +ATOM 167 HA ASP A 9 0.243 -6.603 -2.852 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.408 -4.009 -3.170 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.699 -4.094 -1.991 1.00 0.00 H +ATOM 170 N GLY A 10 1.085 -6.233 0.280 1.00 0.00 N +ATOM 171 CA GLY A 10 1.935 -6.630 1.406 1.00 0.00 C +ATOM 172 C GLY A 10 2.538 -5.448 2.178 1.00 0.00 C +ATOM 173 O GLY A 10 3.381 -5.658 3.052 1.00 0.00 O +ATOM 174 H GLY A 10 0.224 -5.740 0.500 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.338 -7.217 2.103 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.755 -7.257 1.056 1.00 0.00 H +ATOM 177 N GLY A 11 2.139 -4.205 1.865 1.00 0.00 N +ATOM 178 CA GLY A 11 2.660 -3.003 2.510 1.00 0.00 C +ATOM 179 C GLY A 11 4.193 -2.919 2.402 1.00 0.00 C +ATOM 180 O GLY A 11 4.722 -3.051 1.294 1.00 0.00 O +ATOM 181 H GLY A 11 1.481 -4.078 1.104 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.230 -2.129 2.025 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.339 -3.009 3.550 1.00 0.00 H +ATOM 184 N PRO A 12 4.936 -2.732 3.516 1.00 0.00 N +ATOM 185 CA PRO A 12 6.401 -2.697 3.498 1.00 0.00 C +ATOM 186 C PRO A 12 7.057 -3.980 2.962 1.00 0.00 C +ATOM 187 O PRO A 12 8.194 -3.921 2.498 1.00 0.00 O +ATOM 188 CB PRO A 12 6.843 -2.444 4.945 1.00 0.00 C +ATOM 189 CG PRO A 12 5.600 -1.887 5.633 1.00 0.00 C +ATOM 190 CD PRO A 12 4.459 -2.571 4.884 1.00 0.00 C +ATOM 191 HA PRO A 12 6.718 -1.858 2.877 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.157 -3.358 5.411 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.673 -1.736 4.990 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.587 -2.145 6.675 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.548 -0.809 5.478 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.243 -3.527 5.321 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.561 -1.958 4.940 1.00 0.00 H +ATOM 198 N SER A 13 6.364 -5.132 2.996 1.00 0.00 N +ATOM 199 CA SER A 13 6.922 -6.427 2.577 1.00 0.00 C +ATOM 200 C SER A 13 7.348 -6.452 1.106 1.00 0.00 C +ATOM 201 O SER A 13 8.273 -7.185 0.760 1.00 0.00 O +ATOM 202 CB SER A 13 5.902 -7.544 2.812 1.00 0.00 C +ATOM 203 OG SER A 13 6.513 -8.805 2.628 1.00 0.00 O +ATOM 204 H SER A 13 5.404 -5.115 3.326 1.00 0.00 H +ATOM 205 HA SER A 13 7.802 -6.636 3.185 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.525 -7.475 3.814 1.00 0.00 H +ATOM 207 HB3 SER A 13 5.073 -7.436 2.110 1.00 0.00 H +ATOM 208 HG SER A 13 6.978 -8.809 1.779 1.00 0.00 H +ATOM 209 N SER A 14 6.688 -5.663 0.253 1.00 0.00 N +ATOM 210 CA SER A 14 7.033 -5.491 -1.164 1.00 0.00 C +ATOM 211 C SER A 14 8.036 -4.355 -1.407 1.00 0.00 C +ATOM 212 O SER A 14 8.270 -3.979 -2.556 1.00 0.00 O +ATOM 213 CB SER A 14 5.763 -5.217 -1.973 1.00 0.00 C +ATOM 214 OG SER A 14 4.936 -6.345 -2.040 1.00 0.00 O +ATOM 215 H SER A 14 5.903 -5.135 0.612 1.00 0.00 H +ATOM 216 HA SER A 14 7.475 -6.413 -1.545 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.221 -4.416 -1.508 1.00 0.00 H +ATOM 218 HB3 SER A 14 6.026 -4.948 -2.995 1.00 0.00 H +ATOM 219 HG SER A 14 4.164 -6.059 -2.655 1.00 0.00 H +ATOM 220 N GLY A 15 8.590 -3.733 -0.358 1.00 0.00 N +ATOM 221 CA GLY A 15 9.577 -2.650 -0.433 1.00 0.00 C +ATOM 222 C GLY A 15 9.029 -1.291 -0.893 1.00 0.00 C +ATOM 223 O GLY A 15 9.565 -0.255 -0.498 1.00 0.00 O +ATOM 224 H GLY A 15 8.346 -4.054 0.578 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.022 -2.519 0.554 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.370 -2.944 -1.121 1.00 0.00 H +ATOM 227 N ARG A 16 7.961 -1.275 -1.702 1.00 0.00 N +ATOM 228 CA ARG A 16 7.253 -0.068 -2.152 1.00 0.00 C +ATOM 229 C ARG A 16 6.758 0.782 -0.961 1.00 0.00 C +ATOM 230 O ARG A 16 6.062 0.249 -0.094 1.00 0.00 O +ATOM 231 CB ARG A 16 6.114 -0.429 -3.128 1.00 0.00 C +ATOM 232 CG ARG A 16 5.073 -1.437 -2.599 1.00 0.00 C +ATOM 233 CD ARG A 16 4.058 -1.882 -3.667 1.00 0.00 C +ATOM 234 NE ARG A 16 2.925 -0.944 -3.816 1.00 0.00 N +ATOM 235 CZ ARG A 16 2.827 0.118 -4.610 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.797 0.480 -5.418 1.00 0.00 N +ATOM 237 NH2 ARG A 16 1.736 0.848 -4.603 1.00 0.00 N +ATOM 238 H ARG A 16 7.673 -2.184 -2.046 1.00 0.00 H +ATOM 239 HA ARG A 16 7.981 0.515 -2.712 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.597 0.477 -3.381 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.567 -0.849 -4.028 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.592 -2.305 -2.239 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.537 -1.022 -1.749 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.565 -1.958 -4.610 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.649 -2.842 -3.350 1.00 0.00 H +ATOM 246 HE ARG A 16 2.106 -1.187 -3.286 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.617 -0.096 -5.446 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.713 1.284 -6.011 1.00 0.00 H +ATOM 249 HH21 ARG A 16 0.947 0.584 -4.042 1.00 0.00 H +ATOM 250 HH22 ARG A 16 1.678 1.660 -5.191 1.00 0.00 H +ATOM 251 N PRO A 17 7.067 2.094 -0.905 1.00 0.00 N +ATOM 252 CA PRO A 17 6.620 2.967 0.182 1.00 0.00 C +ATOM 253 C PRO A 17 5.099 3.227 0.122 1.00 0.00 C +ATOM 254 O PRO A 17 4.486 3.009 -0.928 1.00 0.00 O +ATOM 255 CB PRO A 17 7.427 4.260 0.005 1.00 0.00 C +ATOM 256 CG PRO A 17 7.667 4.322 -1.501 1.00 0.00 C +ATOM 257 CD PRO A 17 7.835 2.854 -1.882 1.00 0.00 C +ATOM 258 HA PRO A 17 6.870 2.512 1.140 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.867 5.112 0.340 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.385 4.162 0.519 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.828 4.758 -2.008 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.552 4.908 -1.749 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.456 2.680 -2.871 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.888 2.571 -1.812 1.00 0.00 H +ATOM 265 N PRO A 18 4.480 3.698 1.223 1.00 0.00 N +ATOM 266 CA PRO A 18 3.051 4.007 1.257 1.00 0.00 C +ATOM 267 C PRO A 18 2.699 5.236 0.396 1.00 0.00 C +ATOM 268 O PRO A 18 3.570 6.059 0.111 1.00 0.00 O +ATOM 269 CB PRO A 18 2.722 4.232 2.738 1.00 0.00 C +ATOM 270 CG PRO A 18 4.041 4.721 3.329 1.00 0.00 C +ATOM 271 CD PRO A 18 5.086 3.950 2.524 1.00 0.00 C +ATOM 272 HA PRO A 18 2.496 3.146 0.892 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.954 4.972 2.852 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.449 3.284 3.200 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.155 5.779 3.195 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.113 4.505 4.395 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.979 4.535 2.413 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.300 2.999 3.013 1.00 0.00 H +ATOM 279 N PRO A 19 1.420 5.393 -0.004 1.00 0.00 N +ATOM 280 CA PRO A 19 0.957 6.533 -0.802 1.00 0.00 C +ATOM 281 C PRO A 19 0.749 7.823 0.014 1.00 0.00 C +ATOM 282 O PRO A 19 0.677 8.899 -0.575 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.367 6.064 -1.415 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.913 5.086 -0.375 1.00 0.00 C +ATOM 285 CD PRO A 19 0.348 4.422 0.169 1.00 0.00 C +ATOM 286 HA PRO A 19 1.669 6.748 -1.599 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.038 6.889 -1.556 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.164 5.530 -2.346 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.441 5.605 0.402 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.584 4.357 -0.825 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.225 4.183 1.208 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.576 3.535 -0.421 1.00 0.00 H +ATOM 293 N SER A 20 0.622 7.704 1.342 1.00 0.00 N +ATOM 294 CA SER A 20 0.537 8.783 2.335 1.00 0.00 C +ATOM 295 C SER A 20 1.931 9.218 2.798 1.00 0.00 C +ATOM 296 O SER A 20 2.563 8.335 3.437 1.00 0.00 O +ATOM 297 CB SER A 20 -0.247 8.262 3.545 1.00 0.00 C +ATOM 298 OG SER A 20 0.531 7.207 4.069 1.00 0.00 O +ATOM 299 OXT SER A 20 2.277 10.398 2.599 1.00 0.00 O +ATOM 300 H SER A 20 0.701 6.779 1.733 1.00 0.00 H +ATOM 301 HA SER A 20 0.039 9.654 1.908 1.00 0.00 H +ATOM 302 HB2 SER A 20 -0.369 9.038 4.276 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.237 7.911 3.252 1.00 0.00 H +ATOM 304 HG SER A 20 1.480 7.561 3.895 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 24 +ATOM 1 N ASN A 1 -6.292 7.385 1.128 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.232 6.863 0.107 1.00 0.00 C +ATOM 3 C ASN A 1 -6.739 5.538 -0.485 1.00 0.00 C +ATOM 4 O ASN A 1 -7.431 4.543 -0.336 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.545 7.923 -0.975 1.00 0.00 C +ATOM 6 CG ASN A 1 -6.313 8.297 -1.796 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -5.208 8.306 -1.270 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -6.440 8.526 -3.087 1.00 0.00 N +ATOM 9 H1 ASN A 1 -6.040 6.659 1.782 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.460 7.735 0.662 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.719 8.150 1.634 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.173 6.624 0.607 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.294 7.530 -1.636 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -7.929 8.825 -0.499 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -7.324 8.491 -3.570 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -5.584 8.752 -3.571 1.00 0.00 H +ATOM 17 N LEU A 2 -5.556 5.496 -1.115 1.00 0.00 N +ATOM 18 CA LEU A 2 -5.032 4.330 -1.843 1.00 0.00 C +ATOM 19 C LEU A 2 -4.313 3.290 -0.955 1.00 0.00 C +ATOM 20 O LEU A 2 -3.853 2.259 -1.446 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.138 4.841 -3.003 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.722 4.651 -4.418 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.894 3.173 -4.766 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -6.050 5.386 -4.636 1.00 0.00 C +ATOM 25 H LEU A 2 -5.044 6.368 -1.237 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.880 3.796 -2.268 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.967 5.890 -2.853 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.179 4.327 -2.975 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.002 5.061 -5.126 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -3.966 2.642 -4.555 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -5.713 2.736 -4.196 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -5.117 3.069 -5.827 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -6.733 5.221 -3.804 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.855 6.450 -4.745 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -6.526 5.028 -5.550 1.00 0.00 H +ATOM 36 N TYR A 3 -4.243 3.530 0.360 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.536 2.698 1.337 1.00 0.00 C +ATOM 38 C TYR A 3 -3.999 1.230 1.340 1.00 0.00 C +ATOM 39 O TYR A 3 -3.180 0.335 1.524 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.688 3.329 2.730 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.527 3.057 3.667 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.504 1.888 4.455 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.478 3.993 3.769 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.449 1.665 5.360 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.422 3.773 4.671 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.410 2.617 5.478 1.00 0.00 C +ATOM 47 OH TYR A 3 0.592 2.435 6.380 1.00 0.00 O +ATOM 48 H TYR A 3 -4.647 4.393 0.678 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.476 2.708 1.078 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.781 4.391 2.610 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.613 2.981 3.190 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.302 1.165 4.368 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.485 4.893 3.169 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.435 0.773 5.967 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.377 4.493 4.774 1.00 0.00 H +ATOM 56 HH TYR A 3 0.371 1.780 7.044 1.00 0.00 H +ATOM 57 N ILE A 4 -5.291 0.971 1.083 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.855 -0.385 0.970 1.00 0.00 C +ATOM 59 C ILE A 4 -5.185 -1.167 -0.172 1.00 0.00 C +ATOM 60 O ILE A 4 -4.825 -2.331 0.000 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.390 -0.331 0.775 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.107 0.494 1.877 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.991 -1.748 0.746 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.694 1.795 1.319 1.00 0.00 C +ATOM 65 H ILE A 4 -5.903 1.762 0.942 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.647 -0.919 1.898 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.594 0.123 -0.197 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.901 -0.096 2.292 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.417 0.733 2.687 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.583 -2.322 -0.085 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.771 -2.267 1.681 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.072 -1.688 0.616 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.897 2.395 0.886 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.436 1.569 0.553 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.171 2.357 2.121 1.00 0.00 H +ATOM 76 N GLN A 5 -4.990 -0.524 -1.331 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.287 -1.099 -2.478 1.00 0.00 C +ATOM 78 C GLN A 5 -2.828 -1.408 -2.125 1.00 0.00 C +ATOM 79 O GLN A 5 -2.375 -2.526 -2.353 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.383 -0.141 -3.683 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.134 -0.729 -4.885 1.00 0.00 C +ATOM 82 CD GLN A 5 -6.640 -0.793 -4.645 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -7.380 0.135 -4.919 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -7.150 -1.887 -4.116 1.00 0.00 N +ATOM 85 H GLN A 5 -5.215 0.461 -1.367 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.756 -2.048 -2.731 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.893 0.749 -3.368 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.380 0.134 -4.013 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -4.946 -0.115 -5.745 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -4.744 -1.721 -5.116 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -6.566 -2.656 -3.852 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -8.148 -1.839 -3.996 1.00 0.00 H +ATOM 93 N TRP A 6 -2.121 -0.454 -1.511 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.744 -0.663 -1.057 1.00 0.00 C +ATOM 95 C TRP A 6 -0.613 -1.790 -0.020 1.00 0.00 C +ATOM 96 O TRP A 6 0.331 -2.579 -0.067 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.201 0.655 -0.509 1.00 0.00 C +ATOM 98 CG TRP A 6 1.191 0.564 0.027 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.317 0.549 -0.722 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.627 0.427 1.415 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.412 0.401 0.105 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.049 0.343 1.428 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.972 0.368 2.666 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.794 0.234 2.609 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.709 0.249 3.860 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.114 0.197 3.837 1.00 0.00 C +ATOM 107 H TRP A 6 -2.569 0.443 -1.359 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.136 -0.952 -1.917 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.211 1.379 -1.301 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.855 1.013 0.287 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.345 0.630 -1.800 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.387 0.366 -0.203 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.106 0.426 2.698 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.873 0.181 2.560 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.192 0.211 4.808 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.670 0.129 4.761 1.00 0.00 H +ATOM 117 N LEU A 7 -1.578 -1.920 0.901 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.631 -3.070 1.801 1.00 0.00 C +ATOM 119 C LEU A 7 -1.843 -4.394 1.050 1.00 0.00 C +ATOM 120 O LEU A 7 -1.191 -5.372 1.418 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.686 -2.859 2.899 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.268 -1.863 4.000 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.426 -1.718 4.994 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.023 -2.315 4.775 1.00 0.00 C +ATOM 125 H LEU A 7 -2.292 -1.197 0.964 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.656 -3.165 2.275 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.583 -2.492 2.437 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.886 -3.821 3.373 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.065 -0.889 3.560 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.316 -1.368 4.472 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.638 -2.679 5.461 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.167 -0.998 5.769 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.138 -3.351 5.097 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.138 -2.227 4.147 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.876 -1.684 5.651 1.00 0.00 H +ATOM 136 N LYS A 8 -2.657 -4.444 -0.024 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.775 -5.659 -0.860 1.00 0.00 C +ATOM 138 C LYS A 8 -1.440 -6.118 -1.450 1.00 0.00 C +ATOM 139 O LYS A 8 -1.240 -7.322 -1.591 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.774 -5.527 -2.021 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.249 -5.395 -1.620 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.167 -6.088 -2.648 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.424 -5.268 -2.953 1.00 0.00 C +ATOM 144 NZ LYS A 8 -8.590 -6.134 -3.235 1.00 0.00 N +ATOM 145 H LYS A 8 -3.174 -3.604 -0.275 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.108 -6.475 -0.218 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.507 -4.656 -2.587 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.662 -6.434 -2.619 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.393 -5.849 -0.659 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.497 -4.337 -1.541 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.619 -6.230 -3.559 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.435 -7.067 -2.249 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.648 -4.648 -2.106 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.213 -4.642 -3.824 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.371 -6.792 -3.971 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -8.842 -6.653 -2.403 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -9.385 -5.577 -3.521 1.00 0.00 H +ATOM 158 N ASP A 9 -0.520 -5.196 -1.760 1.00 0.00 N +ATOM 159 CA ASP A 9 0.824 -5.550 -2.228 1.00 0.00 C +ATOM 160 C ASP A 9 1.682 -6.246 -1.149 1.00 0.00 C +ATOM 161 O ASP A 9 2.738 -6.791 -1.479 1.00 0.00 O +ATOM 162 CB ASP A 9 1.569 -4.302 -2.729 1.00 0.00 C +ATOM 163 CG ASP A 9 0.926 -3.620 -3.934 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.770 -4.314 -4.963 1.00 0.00 O +ATOM 165 OD2 ASP A 9 0.694 -2.393 -3.841 1.00 0.00 O +ATOM 166 H ASP A 9 -0.774 -4.217 -1.668 1.00 0.00 H +ATOM 167 HA ASP A 9 0.732 -6.246 -3.065 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.611 -3.592 -1.925 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.563 -4.606 -3.037 1.00 0.00 H +ATOM 170 N GLY A 10 1.266 -6.215 0.128 1.00 0.00 N +ATOM 171 CA GLY A 10 2.015 -6.734 1.274 1.00 0.00 C +ATOM 172 C GLY A 10 2.595 -5.646 2.186 1.00 0.00 C +ATOM 173 O GLY A 10 3.441 -5.959 3.033 1.00 0.00 O +ATOM 174 H GLY A 10 0.348 -5.819 0.317 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.343 -7.348 1.874 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.832 -7.371 0.933 1.00 0.00 H +ATOM 177 N GLY A 11 2.188 -4.378 2.015 1.00 0.00 N +ATOM 178 CA GLY A 11 2.682 -3.258 2.815 1.00 0.00 C +ATOM 179 C GLY A 11 4.216 -3.151 2.773 1.00 0.00 C +ATOM 180 O GLY A 11 4.797 -3.293 1.691 1.00 0.00 O +ATOM 181 H GLY A 11 1.532 -4.174 1.270 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.262 -2.332 2.425 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.330 -3.391 3.837 1.00 0.00 H +ATOM 184 N PRO A 12 4.904 -2.935 3.918 1.00 0.00 N +ATOM 185 CA PRO A 12 6.365 -2.823 3.965 1.00 0.00 C +ATOM 186 C PRO A 12 7.102 -4.015 3.335 1.00 0.00 C +ATOM 187 O PRO A 12 8.165 -3.833 2.746 1.00 0.00 O +ATOM 188 CB PRO A 12 6.736 -2.681 5.447 1.00 0.00 C +ATOM 189 CG PRO A 12 5.452 -2.189 6.112 1.00 0.00 C +ATOM 190 CD PRO A 12 4.353 -2.826 5.263 1.00 0.00 C +ATOM 191 HA PRO A 12 6.658 -1.915 3.438 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.038 -3.626 5.856 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.554 -1.973 5.589 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.394 -2.523 7.130 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.394 -1.103 6.036 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.102 -3.797 5.644 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.456 -2.209 5.293 1.00 0.00 H +ATOM 198 N SER A 13 6.528 -5.228 3.414 1.00 0.00 N +ATOM 199 CA SER A 13 7.138 -6.446 2.859 1.00 0.00 C +ATOM 200 C SER A 13 7.295 -6.407 1.333 1.00 0.00 C +ATOM 201 O SER A 13 8.174 -7.073 0.792 1.00 0.00 O +ATOM 202 CB SER A 13 6.348 -7.692 3.277 1.00 0.00 C +ATOM 203 OG SER A 13 5.118 -7.809 2.592 1.00 0.00 O +ATOM 204 H SER A 13 5.614 -5.292 3.842 1.00 0.00 H +ATOM 205 HA SER A 13 8.138 -6.537 3.280 1.00 0.00 H +ATOM 206 HB2 SER A 13 6.942 -8.561 3.069 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.165 -7.667 4.352 1.00 0.00 H +ATOM 208 HG SER A 13 4.500 -7.079 2.847 1.00 0.00 H +ATOM 209 N SER A 14 6.489 -5.586 0.645 1.00 0.00 N +ATOM 210 CA SER A 14 6.548 -5.376 -0.801 1.00 0.00 C +ATOM 211 C SER A 14 7.615 -4.354 -1.227 1.00 0.00 C +ATOM 212 O SER A 14 7.779 -4.098 -2.420 1.00 0.00 O +ATOM 213 CB SER A 14 5.172 -4.906 -1.282 1.00 0.00 C +ATOM 214 OG SER A 14 4.768 -5.648 -2.411 1.00 0.00 O +ATOM 215 H SER A 14 5.813 -5.042 1.173 1.00 0.00 H +ATOM 216 HA SER A 14 6.781 -6.328 -1.284 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.456 -5.042 -0.494 1.00 0.00 H +ATOM 218 HB3 SER A 14 5.202 -3.849 -1.527 1.00 0.00 H +ATOM 219 HG SER A 14 4.004 -6.211 -2.103 1.00 0.00 H +ATOM 220 N GLY A 15 8.309 -3.713 -0.277 1.00 0.00 N +ATOM 221 CA GLY A 15 9.390 -2.752 -0.512 1.00 0.00 C +ATOM 222 C GLY A 15 8.950 -1.376 -1.041 1.00 0.00 C +ATOM 223 O GLY A 15 9.569 -0.373 -0.689 1.00 0.00 O +ATOM 224 H GLY A 15 8.111 -3.947 0.692 1.00 0.00 H +ATOM 225 HA2 GLY A 15 9.920 -2.595 0.428 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.093 -3.179 -1.226 1.00 0.00 H +ATOM 227 N ARG A 16 7.896 -1.304 -1.867 1.00 0.00 N +ATOM 228 CA ARG A 16 7.317 -0.041 -2.355 1.00 0.00 C +ATOM 229 C ARG A 16 6.801 0.839 -1.194 1.00 0.00 C +ATOM 230 O ARG A 16 6.157 0.315 -0.283 1.00 0.00 O +ATOM 231 CB ARG A 16 6.215 -0.292 -3.405 1.00 0.00 C +ATOM 232 CG ARG A 16 5.119 -1.280 -2.965 1.00 0.00 C +ATOM 233 CD ARG A 16 3.913 -1.309 -3.915 1.00 0.00 C +ATOM 234 NE ARG A 16 4.266 -1.765 -5.273 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.470 -3.012 -5.684 1.00 0.00 C +ATOM 236 NH1 ARG A 16 4.434 -4.046 -4.877 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.742 -3.246 -6.946 1.00 0.00 N +ATOM 238 H ARG A 16 7.511 -2.196 -2.163 1.00 0.00 H +ATOM 239 HA ARG A 16 8.125 0.496 -2.848 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.747 0.647 -3.630 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.683 -0.678 -4.311 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.544 -2.264 -2.923 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.753 -1.013 -1.976 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.174 -1.974 -3.511 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.485 -0.307 -3.974 1.00 0.00 H +ATOM 246 HE ARG A 16 4.286 -1.055 -5.983 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.241 -3.927 -3.896 1.00 0.00 H +ATOM 248 HH12 ARG A 16 4.571 -4.985 -5.203 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.784 -2.494 -7.608 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.878 -4.192 -7.246 1.00 0.00 H +ATOM 251 N PRO A 17 7.021 2.169 -1.222 1.00 0.00 N +ATOM 252 CA PRO A 17 6.564 3.076 -0.168 1.00 0.00 C +ATOM 253 C PRO A 17 5.035 3.273 -0.193 1.00 0.00 C +ATOM 254 O PRO A 17 4.408 3.044 -1.232 1.00 0.00 O +ATOM 255 CB PRO A 17 7.304 4.392 -0.436 1.00 0.00 C +ATOM 256 CG PRO A 17 7.488 4.390 -1.951 1.00 0.00 C +ATOM 257 CD PRO A 17 7.717 2.912 -2.265 1.00 0.00 C +ATOM 258 HA PRO A 17 6.863 2.681 0.803 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.718 5.234 -0.121 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.279 4.364 0.050 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.611 4.759 -2.447 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.336 5.002 -2.259 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.314 2.668 -3.229 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.783 2.685 -2.219 1.00 0.00 H +ATOM 265 N PRO A 18 4.420 3.714 0.924 1.00 0.00 N +ATOM 266 CA PRO A 18 2.979 3.943 0.997 1.00 0.00 C +ATOM 267 C PRO A 18 2.541 5.167 0.167 1.00 0.00 C +ATOM 268 O PRO A 18 3.300 6.129 0.038 1.00 0.00 O +ATOM 269 CB PRO A 18 2.670 4.129 2.486 1.00 0.00 C +ATOM 270 CG PRO A 18 3.976 4.683 3.053 1.00 0.00 C +ATOM 271 CD PRO A 18 5.042 3.977 2.213 1.00 0.00 C +ATOM 272 HA PRO A 18 2.469 3.052 0.638 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.865 4.824 2.627 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.459 3.159 2.939 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.030 5.747 2.929 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.085 4.459 4.114 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.901 4.608 2.092 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.310 3.030 2.683 1.00 0.00 H +ATOM 279 N PRO A 19 1.305 5.165 -0.369 1.00 0.00 N +ATOM 280 CA PRO A 19 0.753 6.266 -1.151 1.00 0.00 C +ATOM 281 C PRO A 19 0.318 7.409 -0.226 1.00 0.00 C +ATOM 282 O PRO A 19 -0.451 7.189 0.714 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.432 5.656 -1.908 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.932 4.559 -0.967 1.00 0.00 C +ATOM 285 CD PRO A 19 0.347 4.074 -0.285 1.00 0.00 C +ATOM 286 HA PRO A 19 1.493 6.630 -1.865 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.195 6.390 -2.081 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.073 5.200 -2.833 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.625 4.954 -0.249 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.416 3.748 -1.510 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.150 3.833 0.742 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.754 3.228 -0.832 1.00 0.00 H +ATOM 293 N SER A 20 0.793 8.629 -0.503 1.00 0.00 N +ATOM 294 CA SER A 20 0.416 9.847 0.221 1.00 0.00 C +ATOM 295 C SER A 20 0.407 11.090 -0.662 1.00 0.00 C +ATOM 296 O SER A 20 0.891 11.013 -1.811 1.00 0.00 O +ATOM 297 CB SER A 20 1.359 10.094 1.397 1.00 0.00 C +ATOM 298 OG SER A 20 0.787 11.196 2.067 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.035 12.112 -0.078 1.00 0.00 O +ATOM 300 H SER A 20 1.371 8.782 -1.320 1.00 0.00 H +ATOM 301 HA SER A 20 -0.594 9.730 0.608 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.400 9.236 2.040 1.00 0.00 H +ATOM 303 HB3 SER A 20 2.353 10.357 1.025 1.00 0.00 H +ATOM 304 HG SER A 20 0.387 11.733 1.311 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 25 +ATOM 1 N ASN A 1 -8.822 3.713 -1.688 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.636 4.584 -1.839 1.00 0.00 C +ATOM 3 C ASN A 1 -6.387 3.720 -2.050 1.00 0.00 C +ATOM 4 O ASN A 1 -6.449 2.520 -1.793 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.493 5.546 -0.643 1.00 0.00 C +ATOM 6 CG ASN A 1 -6.684 6.775 -1.045 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -5.471 6.716 -1.147 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -7.325 7.882 -1.371 1.00 0.00 N +ATOM 9 H1 ASN A 1 -8.903 3.106 -2.494 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.709 3.131 -0.870 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.662 4.268 -1.598 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.770 5.186 -2.739 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.468 5.855 -0.319 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -6.990 5.041 0.185 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -8.323 8.004 -1.308 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -6.719 8.647 -1.627 1.00 0.00 H +ATOM 17 N LEU A 2 -5.276 4.311 -2.504 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.020 3.626 -2.831 1.00 0.00 C +ATOM 19 C LEU A 2 -3.471 2.838 -1.629 1.00 0.00 C +ATOM 20 O LEU A 2 -2.958 1.734 -1.800 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.012 4.674 -3.361 1.00 0.00 C +ATOM 22 CG LEU A 2 -2.196 4.219 -4.592 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -1.533 5.435 -5.247 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -1.091 3.204 -4.289 1.00 0.00 C +ATOM 25 H LEU A 2 -5.249 5.328 -2.518 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.228 2.905 -3.623 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.558 5.557 -3.630 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.343 4.981 -2.561 1.00 0.00 H +ATOM 29 HG LEU A 2 -2.881 3.777 -5.315 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -2.296 6.145 -5.570 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -0.864 5.929 -4.541 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -0.962 5.119 -6.121 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -0.285 3.677 -3.730 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -1.483 2.363 -3.723 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -0.681 2.826 -5.224 1.00 0.00 H +ATOM 36 N TYR A 3 -3.666 3.358 -0.409 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.284 2.708 0.847 1.00 0.00 C +ATOM 38 C TYR A 3 -3.873 1.292 1.002 1.00 0.00 C +ATOM 39 O TYR A 3 -3.194 0.398 1.503 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.690 3.607 2.030 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.649 3.669 3.132 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.390 2.535 3.927 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.934 4.863 3.357 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.425 2.597 4.950 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.980 4.936 4.389 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.731 3.802 5.194 1.00 0.00 C +ATOM 47 OH TYR A 3 0.150 3.872 6.227 1.00 0.00 O +ATOM 48 H TYR A 3 -4.047 4.292 -0.362 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.198 2.613 0.856 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.852 4.601 1.660 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.632 3.256 2.454 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -2.935 1.619 3.761 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.110 5.742 2.747 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.221 1.739 5.572 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.449 5.867 4.548 1.00 0.00 H +ATOM 56 HH TYR A 3 0.326 4.786 6.461 1.00 0.00 H +ATOM 57 N ILE A 4 -5.115 1.071 0.535 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.776 -0.242 0.562 1.00 0.00 C +ATOM 59 C ILE A 4 -5.002 -1.217 -0.330 1.00 0.00 C +ATOM 60 O ILE A 4 -4.614 -2.289 0.122 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.263 -0.143 0.130 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.048 0.841 1.030 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.919 -1.539 0.153 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.483 1.110 0.557 1.00 0.00 C +ATOM 65 H ILE A 4 -5.572 1.829 0.046 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.741 -0.629 1.581 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.305 0.225 -0.896 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.090 0.432 2.021 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.535 1.802 1.049 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.419 -2.213 -0.543 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.865 -1.964 1.157 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.963 -1.481 -0.153 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -9.492 1.320 -0.512 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -10.118 0.247 0.759 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.887 1.968 1.096 1.00 0.00 H +ATOM 76 N GLN A 5 -4.757 -0.824 -1.585 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.017 -1.607 -2.576 1.00 0.00 C +ATOM 78 C GLN A 5 -2.587 -1.900 -2.083 1.00 0.00 C +ATOM 79 O GLN A 5 -2.148 -3.047 -2.102 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.057 -0.847 -3.919 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.071 -1.760 -5.155 1.00 0.00 C +ATOM 82 CD GLN A 5 -2.773 -2.524 -5.382 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -2.723 -3.734 -5.250 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -1.697 -1.854 -5.752 1.00 0.00 N +ATOM 85 H GLN A 5 -5.059 0.104 -1.844 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.528 -2.564 -2.697 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.942 -0.241 -3.937 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.227 -0.144 -3.981 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -4.865 -2.472 -5.038 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -4.268 -1.149 -6.038 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -1.694 -0.862 -5.911 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -0.889 -2.443 -5.884 1.00 0.00 H +ATOM 93 N TRP A 6 -1.898 -0.878 -1.557 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.578 -0.992 -0.936 1.00 0.00 C +ATOM 95 C TRP A 6 -0.552 -2.023 0.205 1.00 0.00 C +ATOM 96 O TRP A 6 0.292 -2.918 0.198 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.127 0.397 -0.466 1.00 0.00 C +ATOM 98 CG TRP A 6 1.249 0.448 0.122 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.402 0.437 -0.587 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.644 0.501 1.528 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.474 0.460 0.282 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.068 0.490 1.594 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.952 0.549 2.757 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.775 0.513 2.805 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.647 0.567 3.982 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.054 0.548 4.010 1.00 0.00 C +ATOM 107 H TRP A 6 -2.335 0.042 -1.580 1.00 0.00 H +ATOM 108 HA TRP A 6 0.127 -1.341 -1.691 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.154 1.059 -1.310 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.830 0.770 0.277 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.467 0.400 -1.665 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.459 0.466 0.011 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.127 0.579 2.747 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.854 0.502 2.796 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.097 0.607 4.913 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.578 0.569 4.955 1.00 0.00 H +ATOM 117 N LEU A 7 -1.488 -1.942 1.163 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.617 -2.951 2.219 1.00 0.00 C +ATOM 119 C LEU A 7 -1.966 -4.341 1.668 1.00 0.00 C +ATOM 120 O LEU A 7 -1.376 -5.320 2.123 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.642 -2.514 3.280 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.149 -1.401 4.223 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.284 -0.995 5.164 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.953 -1.839 5.080 1.00 0.00 C +ATOM 125 H LEU A 7 -2.154 -1.170 1.141 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.644 -3.065 2.695 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.519 -2.160 2.773 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.902 -3.381 3.888 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.860 -0.531 3.640 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.142 -0.659 4.582 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.579 -1.842 5.783 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.959 -0.178 5.809 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.180 -2.772 5.594 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.070 -1.975 4.456 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.724 -1.071 5.819 1.00 0.00 H +ATOM 136 N LYS A 8 -2.866 -4.444 0.675 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.232 -5.709 0.014 1.00 0.00 C +ATOM 138 C LYS A 8 -1.995 -6.419 -0.554 1.00 0.00 C +ATOM 139 O LYS A 8 -1.851 -7.626 -0.374 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.313 -5.443 -1.057 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.232 -6.637 -1.368 1.00 0.00 C +ATOM 142 CD LYS A 8 -4.597 -7.726 -2.241 1.00 0.00 C +ATOM 143 CE LYS A 8 -5.626 -8.816 -2.553 1.00 0.00 C +ATOM 144 NZ LYS A 8 -4.979 -9.985 -3.192 1.00 0.00 N +ATOM 145 H LYS A 8 -3.334 -3.588 0.376 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.648 -6.368 0.776 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.926 -4.632 -0.716 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.853 -5.080 -1.976 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.526 -7.084 -0.438 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -6.106 -6.251 -1.896 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -4.253 -7.289 -3.159 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -3.770 -8.185 -1.708 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.094 -9.129 -1.640 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.396 -8.398 -3.207 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -4.519 -9.702 -4.048 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -4.281 -10.374 -2.570 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -5.664 -10.700 -3.404 1.00 0.00 H +ATOM 158 N ASP A 9 -1.077 -5.668 -1.169 1.00 0.00 N +ATOM 159 CA ASP A 9 0.212 -6.164 -1.668 1.00 0.00 C +ATOM 160 C ASP A 9 1.207 -6.590 -0.560 1.00 0.00 C +ATOM 161 O ASP A 9 2.261 -7.145 -0.857 1.00 0.00 O +ATOM 162 CB ASP A 9 0.834 -5.084 -2.569 1.00 0.00 C +ATOM 163 CG ASP A 9 1.509 -5.695 -3.797 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.788 -5.935 -4.790 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.746 -5.888 -3.742 1.00 0.00 O +ATOM 166 H ASP A 9 -1.310 -4.691 -1.337 1.00 0.00 H +ATOM 167 HA ASP A 9 0.016 -7.046 -2.280 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.061 -4.414 -2.894 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.556 -4.497 -1.999 1.00 0.00 H +ATOM 170 N GLY A 10 0.892 -6.349 0.722 1.00 0.00 N +ATOM 171 CA GLY A 10 1.749 -6.664 1.870 1.00 0.00 C +ATOM 172 C GLY A 10 2.432 -5.442 2.495 1.00 0.00 C +ATOM 173 O GLY A 10 3.341 -5.612 3.316 1.00 0.00 O +ATOM 174 H GLY A 10 -0.020 -5.949 0.925 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.134 -7.131 2.639 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.517 -7.381 1.579 1.00 0.00 H +ATOM 177 N GLY A 11 2.030 -4.224 2.106 1.00 0.00 N +ATOM 178 CA GLY A 11 2.562 -2.956 2.594 1.00 0.00 C +ATOM 179 C GLY A 11 4.077 -2.849 2.377 1.00 0.00 C +ATOM 180 O GLY A 11 4.519 -2.945 1.227 1.00 0.00 O +ATOM 181 H GLY A 11 1.324 -4.158 1.376 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.087 -2.147 2.042 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.297 -2.847 3.642 1.00 0.00 H +ATOM 184 N PRO A 12 4.898 -2.704 3.442 1.00 0.00 N +ATOM 185 CA PRO A 12 6.359 -2.670 3.324 1.00 0.00 C +ATOM 186 C PRO A 12 6.945 -3.880 2.582 1.00 0.00 C +ATOM 187 O PRO A 12 7.983 -3.757 1.936 1.00 0.00 O +ATOM 188 CB PRO A 12 6.900 -2.604 4.759 1.00 0.00 C +ATOM 189 CG PRO A 12 5.728 -2.068 5.577 1.00 0.00 C +ATOM 190 CD PRO A 12 4.512 -2.626 4.845 1.00 0.00 C +ATOM 191 HA PRO A 12 6.641 -1.759 2.794 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.189 -3.579 5.102 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.769 -1.950 4.830 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.767 -2.427 6.588 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.715 -0.978 5.530 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.264 -3.600 5.220 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.657 -1.969 5.001 1.00 0.00 H +ATOM 198 N SER A 13 6.257 -5.031 2.623 1.00 0.00 N +ATOM 199 CA SER A 13 6.670 -6.282 1.972 1.00 0.00 C +ATOM 200 C SER A 13 6.824 -6.145 0.453 1.00 0.00 C +ATOM 201 O SER A 13 7.646 -6.844 -0.133 1.00 0.00 O +ATOM 202 CB SER A 13 5.666 -7.410 2.245 1.00 0.00 C +ATOM 203 OG SER A 13 5.190 -7.395 3.578 1.00 0.00 O +ATOM 204 H SER A 13 5.393 -5.044 3.149 1.00 0.00 H +ATOM 205 HA SER A 13 7.634 -6.578 2.384 1.00 0.00 H +ATOM 206 HB2 SER A 13 4.832 -7.298 1.579 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.147 -8.369 2.042 1.00 0.00 H +ATOM 208 HG SER A 13 4.440 -6.757 3.610 1.00 0.00 H +ATOM 209 N SER A 14 6.065 -5.236 -0.178 1.00 0.00 N +ATOM 210 CA SER A 14 6.173 -4.951 -1.616 1.00 0.00 C +ATOM 211 C SER A 14 7.384 -4.059 -1.960 1.00 0.00 C +ATOM 212 O SER A 14 7.680 -3.817 -3.128 1.00 0.00 O +ATOM 213 CB SER A 14 4.873 -4.299 -2.106 1.00 0.00 C +ATOM 214 OG SER A 14 4.686 -4.580 -3.476 1.00 0.00 O +ATOM 215 H SER A 14 5.428 -4.670 0.375 1.00 0.00 H +ATOM 216 HA SER A 14 6.289 -5.897 -2.145 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.045 -4.689 -1.546 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.926 -3.220 -1.965 1.00 0.00 H +ATOM 219 HG SER A 14 3.848 -5.193 -3.590 1.00 0.00 H +ATOM 220 N GLY A 15 8.094 -3.531 -0.951 1.00 0.00 N +ATOM 221 CA GLY A 15 9.291 -2.699 -1.108 1.00 0.00 C +ATOM 222 C GLY A 15 9.020 -1.228 -1.452 1.00 0.00 C +ATOM 223 O GLY A 15 9.943 -0.418 -1.405 1.00 0.00 O +ATOM 224 H GLY A 15 7.836 -3.773 0.003 1.00 0.00 H +ATOM 225 HA2 GLY A 15 9.859 -2.730 -0.178 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.916 -3.120 -1.896 1.00 0.00 H +ATOM 227 N ARG A 16 7.772 -0.861 -1.777 1.00 0.00 N +ATOM 228 CA ARG A 16 7.352 0.518 -2.058 1.00 0.00 C +ATOM 229 C ARG A 16 6.926 1.233 -0.760 1.00 0.00 C +ATOM 230 O ARG A 16 6.220 0.619 0.040 1.00 0.00 O +ATOM 231 CB ARG A 16 6.203 0.479 -3.084 1.00 0.00 C +ATOM 232 CG ARG A 16 5.906 1.869 -3.663 1.00 0.00 C +ATOM 233 CD ARG A 16 4.859 1.824 -4.784 1.00 0.00 C +ATOM 234 NE ARG A 16 5.035 2.953 -5.722 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.956 3.050 -6.675 1.00 0.00 C +ATOM 236 NH1 ARG A 16 6.818 2.086 -6.908 1.00 0.00 N +ATOM 237 NH2 ARG A 16 6.038 4.130 -7.417 1.00 0.00 N +ATOM 238 H ARG A 16 7.080 -1.599 -1.790 1.00 0.00 H +ATOM 239 HA ARG A 16 8.204 1.035 -2.496 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.476 -0.180 -3.886 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.302 0.068 -2.623 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.541 2.500 -2.875 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.835 2.270 -4.065 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.961 0.902 -5.323 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.862 1.868 -4.338 1.00 0.00 H +ATOM 246 HE ARG A 16 4.410 3.733 -5.609 1.00 0.00 H +ATOM 247 HH11 ARG A 16 6.760 1.254 -6.348 1.00 0.00 H +ATOM 248 HH12 ARG A 16 7.516 2.163 -7.627 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.407 4.899 -7.273 1.00 0.00 H +ATOM 250 HH22 ARG A 16 6.744 4.192 -8.129 1.00 0.00 H +ATOM 251 N PRO A 17 7.271 2.523 -0.549 1.00 0.00 N +ATOM 252 CA PRO A 17 6.808 3.297 0.611 1.00 0.00 C +ATOM 253 C PRO A 17 5.279 3.519 0.624 1.00 0.00 C +ATOM 254 O PRO A 17 4.632 3.367 -0.415 1.00 0.00 O +ATOM 255 CB PRO A 17 7.573 4.626 0.537 1.00 0.00 C +ATOM 256 CG PRO A 17 7.901 4.777 -0.945 1.00 0.00 C +ATOM 257 CD PRO A 17 8.157 3.337 -1.372 1.00 0.00 C +ATOM 258 HA PRO A 17 7.094 2.768 1.522 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.961 5.439 0.877 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.500 4.546 1.107 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.076 5.201 -1.484 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.773 5.411 -1.109 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.927 3.208 -2.412 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.192 3.067 -1.160 1.00 0.00 H +ATOM 265 N PRO A 18 4.694 3.905 1.780 1.00 0.00 N +ATOM 266 CA PRO A 18 3.255 4.134 1.918 1.00 0.00 C +ATOM 267 C PRO A 18 2.773 5.345 1.089 1.00 0.00 C +ATOM 268 O PRO A 18 3.434 6.387 1.085 1.00 0.00 O +ATOM 269 CB PRO A 18 2.999 4.340 3.415 1.00 0.00 C +ATOM 270 CG PRO A 18 4.345 4.826 3.946 1.00 0.00 C +ATOM 271 CD PRO A 18 5.352 4.088 3.066 1.00 0.00 C +ATOM 272 HA PRO A 18 2.740 3.228 1.610 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.235 5.077 3.575 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.750 3.384 3.875 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.442 5.889 3.834 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.476 4.586 5.001 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.245 4.671 2.949 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.572 3.112 3.500 1.00 0.00 H +ATOM 279 N PRO A 19 1.634 5.227 0.378 1.00 0.00 N +ATOM 280 CA PRO A 19 1.081 6.286 -0.462 1.00 0.00 C +ATOM 281 C PRO A 19 0.140 7.224 0.318 1.00 0.00 C +ATOM 282 O PRO A 19 -0.995 6.854 0.627 1.00 0.00 O +ATOM 283 CB PRO A 19 0.343 5.530 -1.568 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.205 4.301 -0.835 1.00 0.00 C +ATOM 285 CD PRO A 19 0.881 3.994 0.190 1.00 0.00 C +ATOM 286 HA PRO A 19 1.884 6.872 -0.910 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.453 6.123 -1.976 1.00 0.00 H +ATOM 288 HB3 PRO A 19 1.059 5.213 -2.327 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.137 4.524 -0.353 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.362 3.458 -1.502 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.439 3.685 1.117 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.543 3.227 -0.214 1.00 0.00 H +ATOM 293 N SER A 20 0.592 8.464 0.558 1.00 0.00 N +ATOM 294 CA SER A 20 -0.080 9.471 1.411 1.00 0.00 C +ATOM 295 C SER A 20 -0.300 8.997 2.863 1.00 0.00 C +ATOM 296 O SER A 20 -1.168 9.604 3.527 1.00 0.00 O +ATOM 297 CB SER A 20 -1.392 9.955 0.771 1.00 0.00 C +ATOM 298 OG SER A 20 -1.109 10.475 -0.508 1.00 0.00 O +ATOM 299 OXT SER A 20 0.428 8.079 3.303 1.00 0.00 O +ATOM 300 H SER A 20 1.561 8.632 0.336 1.00 0.00 H +ATOM 301 HA SER A 20 0.570 10.339 1.493 1.00 0.00 H +ATOM 302 HB2 SER A 20 -2.075 9.132 0.683 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.847 10.731 1.390 1.00 0.00 H +ATOM 304 HG SER A 20 -0.488 9.864 -0.909 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 26 +ATOM 1 N ASN A 1 -6.391 7.510 1.067 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.401 6.806 0.244 1.00 0.00 C +ATOM 3 C ASN A 1 -6.844 5.505 -0.338 1.00 0.00 C +ATOM 4 O ASN A 1 -7.312 4.446 0.047 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.052 7.731 -0.811 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.488 7.309 -1.115 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.112 6.606 -0.339 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.066 7.738 -2.223 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.984 6.869 1.737 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.657 7.891 0.486 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.829 8.267 1.573 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.203 6.494 0.918 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.056 8.737 -0.438 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -7.467 7.735 -1.732 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -9.621 8.342 -2.895 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -11.024 7.438 -2.329 1.00 0.00 H +ATOM 17 N LEU A 2 -5.809 5.545 -1.190 1.00 0.00 N +ATOM 18 CA LEU A 2 -5.260 4.361 -1.876 1.00 0.00 C +ATOM 19 C LEU A 2 -4.455 3.379 -0.984 1.00 0.00 C +ATOM 20 O LEU A 2 -3.894 2.406 -1.484 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.436 4.848 -3.091 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.581 3.949 -4.337 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -5.961 4.101 -4.990 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.517 4.307 -5.376 1.00 0.00 C +ATOM 25 H LEU A 2 -5.432 6.430 -1.495 1.00 0.00 H +ATOM 26 HA LEU A 2 -6.112 3.787 -2.244 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.762 5.838 -3.347 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.385 4.897 -2.803 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.439 2.910 -4.055 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -6.748 3.783 -4.309 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -6.130 5.140 -5.275 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -6.013 3.478 -5.884 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -3.640 5.340 -5.703 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -2.523 4.177 -4.947 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.611 3.645 -6.237 1.00 0.00 H +ATOM 36 N TYR A 3 -4.393 3.603 0.335 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.609 2.805 1.286 1.00 0.00 C +ATOM 38 C TYR A 3 -3.980 1.311 1.271 1.00 0.00 C +ATOM 39 O TYR A 3 -3.097 0.457 1.342 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.768 3.413 2.688 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.733 2.956 3.700 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -1.416 3.452 3.615 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -3.089 2.094 4.759 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -0.459 3.085 4.578 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -2.137 1.743 5.737 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.818 2.240 5.645 1.00 0.00 C +ATOM 47 OH TYR A 3 0.102 1.933 6.600 1.00 0.00 O +ATOM 48 H TYR A 3 -4.931 4.374 0.692 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.558 2.880 1.004 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.700 4.480 2.599 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.769 3.193 3.064 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -1.140 4.153 2.841 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -4.101 1.723 4.839 1.00 0.00 H +ATOM 54 HE1 TYR A 3 0.543 3.484 4.536 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -2.415 1.104 6.560 1.00 0.00 H +ATOM 56 HH TYR A 3 -0.304 1.658 7.423 1.00 0.00 H +ATOM 57 N ILE A 4 -5.271 0.979 1.105 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.754 -0.410 1.022 1.00 0.00 C +ATOM 59 C ILE A 4 -5.089 -1.175 -0.139 1.00 0.00 C +ATOM 60 O ILE A 4 -4.712 -2.334 0.030 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.299 -0.466 0.907 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.026 0.325 2.026 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.790 -1.925 0.951 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.616 1.639 1.507 1.00 0.00 C +ATOM 65 H ILE A 4 -5.941 1.734 1.048 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.466 -0.915 1.945 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.586 -0.056 -0.062 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.820 -0.280 2.419 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.342 0.536 2.850 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.387 -2.483 0.107 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.482 -2.388 1.890 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.878 -1.947 0.874 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.815 2.287 1.164 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.304 1.440 0.682 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.164 2.137 2.308 1.00 0.00 H +ATOM 76 N GLN A 5 -4.926 -0.531 -1.304 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.245 -1.108 -2.469 1.00 0.00 C +ATOM 78 C GLN A 5 -2.765 -1.396 -2.181 1.00 0.00 C +ATOM 79 O GLN A 5 -2.271 -2.461 -2.542 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.387 -0.170 -3.681 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.621 -0.468 -4.541 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.458 -1.776 -5.310 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.686 -1.876 -6.248 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.163 -2.827 -4.942 1.00 0.00 N +ATOM 85 H GLN A 5 -5.175 0.448 -1.343 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.705 -2.066 -2.705 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.457 0.839 -3.324 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.501 -0.243 -4.314 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -6.481 -0.542 -3.904 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.740 0.337 -5.267 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -6.842 -2.805 -4.203 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -5.976 -3.641 -5.504 1.00 0.00 H +ATOM 93 N TRP A 6 -2.070 -0.489 -1.486 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.694 -0.725 -1.048 1.00 0.00 C +ATOM 95 C TRP A 6 -0.586 -1.880 -0.041 1.00 0.00 C +ATOM 96 O TRP A 6 0.293 -2.734 -0.172 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.120 0.575 -0.487 1.00 0.00 C +ATOM 98 CG TRP A 6 1.275 0.460 0.036 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.391 0.368 -0.723 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.722 0.382 1.424 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.492 0.238 0.099 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.144 0.266 1.428 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.079 0.400 2.681 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.896 0.202 2.607 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.824 0.321 3.875 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.227 0.234 3.842 1.00 0.00 C +ATOM 107 H TRP A 6 -2.540 0.365 -1.212 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.096 -1.008 -1.916 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.125 1.309 -1.269 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.758 0.938 0.318 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.415 0.380 -1.804 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.461 0.154 -0.221 1.00 0.00 H +ATOM 113 HE3 TRP A 6 0.002 0.485 2.724 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.971 0.113 2.553 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.315 0.339 4.828 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.787 0.188 4.764 1.00 0.00 H +ATOM 117 N LEU A 7 -1.509 -1.961 0.928 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.576 -3.104 1.842 1.00 0.00 C +ATOM 119 C LEU A 7 -1.846 -4.428 1.109 1.00 0.00 C +ATOM 120 O LEU A 7 -1.246 -5.436 1.477 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.635 -2.881 2.933 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.340 -1.734 3.917 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.514 -1.637 4.896 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.050 -1.947 4.717 1.00 0.00 C +ATOM 125 H LEU A 7 -2.179 -1.199 1.017 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.602 -3.218 2.316 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.569 -2.670 2.449 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.724 -3.804 3.508 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.258 -0.794 3.378 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.444 -1.501 4.345 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.577 -2.544 5.497 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.373 -0.786 5.557 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.082 -2.901 5.242 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.188 -1.932 4.050 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.929 -1.141 5.440 1.00 0.00 H +ATOM 136 N LYS A 8 -2.690 -4.435 0.061 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.971 -5.620 -0.774 1.00 0.00 C +ATOM 138 C LYS A 8 -1.703 -6.283 -1.322 1.00 0.00 C +ATOM 139 O LYS A 8 -1.660 -7.507 -1.400 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.900 -5.260 -1.954 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.270 -5.950 -1.934 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.299 -5.296 -1.003 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.225 -5.825 0.432 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.472 -5.522 1.173 1.00 0.00 N +ATOM 145 H LYS A 8 -3.165 -3.561 -0.155 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.442 -6.380 -0.153 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.061 -4.199 -1.939 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.414 -5.561 -2.885 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.666 -5.938 -2.931 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.158 -7.008 -1.693 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.123 -4.238 -0.987 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -7.289 -5.514 -1.408 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.080 -6.888 0.407 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -5.360 -5.380 0.933 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -7.622 -4.522 1.214 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -8.262 -5.946 0.705 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -7.423 -5.889 2.114 1.00 0.00 H +ATOM 158 N ASP A 9 -0.697 -5.489 -1.696 1.00 0.00 N +ATOM 159 CA ASP A 9 0.578 -5.995 -2.210 1.00 0.00 C +ATOM 160 C ASP A 9 1.430 -6.676 -1.116 1.00 0.00 C +ATOM 161 O ASP A 9 2.217 -7.569 -1.419 1.00 0.00 O +ATOM 162 CB ASP A 9 1.320 -4.822 -2.871 1.00 0.00 C +ATOM 163 CG ASP A 9 2.419 -5.299 -3.819 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.520 -5.598 -3.301 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.157 -5.333 -5.040 1.00 0.00 O +ATOM 166 H ASP A 9 -0.826 -4.488 -1.630 1.00 0.00 H +ATOM 167 HA ASP A 9 0.373 -6.742 -2.979 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.614 -4.235 -3.427 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.750 -4.177 -2.102 1.00 0.00 H +ATOM 170 N GLY A 10 1.241 -6.295 0.157 1.00 0.00 N +ATOM 171 CA GLY A 10 2.072 -6.717 1.292 1.00 0.00 C +ATOM 172 C GLY A 10 2.600 -5.567 2.160 1.00 0.00 C +ATOM 173 O GLY A 10 3.329 -5.819 3.122 1.00 0.00 O +ATOM 174 H GLY A 10 0.439 -5.705 0.348 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.481 -7.376 1.928 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.933 -7.279 0.931 1.00 0.00 H +ATOM 177 N GLY A 11 2.242 -4.309 1.862 1.00 0.00 N +ATOM 178 CA GLY A 11 2.640 -3.145 2.653 1.00 0.00 C +ATOM 179 C GLY A 11 4.171 -3.021 2.779 1.00 0.00 C +ATOM 180 O GLY A 11 4.857 -3.010 1.755 1.00 0.00 O +ATOM 181 H GLY A 11 1.703 -4.147 1.019 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.262 -2.248 2.167 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.174 -3.222 3.633 1.00 0.00 H +ATOM 184 N PRO A 12 4.750 -2.936 3.998 1.00 0.00 N +ATOM 185 CA PRO A 12 6.203 -2.848 4.176 1.00 0.00 C +ATOM 186 C PRO A 12 6.986 -3.997 3.521 1.00 0.00 C +ATOM 187 O PRO A 12 8.127 -3.802 3.103 1.00 0.00 O +ATOM 188 CB PRO A 12 6.446 -2.831 5.690 1.00 0.00 C +ATOM 189 CG PRO A 12 5.113 -2.378 6.278 1.00 0.00 C +ATOM 190 CD PRO A 12 4.086 -2.931 5.293 1.00 0.00 C +ATOM 191 HA PRO A 12 6.548 -1.905 3.749 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.705 -3.810 6.045 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.253 -2.148 5.957 1.00 0.00 H +ATOM 194 HG2 PRO A 12 4.966 -2.790 7.258 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.066 -1.289 6.283 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.799 -3.927 5.571 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.196 -2.303 5.294 1.00 0.00 H +ATOM 198 N SER A 13 6.377 -5.184 3.397 1.00 0.00 N +ATOM 199 CA SER A 13 6.999 -6.365 2.789 1.00 0.00 C +ATOM 200 C SER A 13 7.090 -6.294 1.255 1.00 0.00 C +ATOM 201 O SER A 13 7.691 -7.181 0.653 1.00 0.00 O +ATOM 202 CB SER A 13 6.253 -7.630 3.234 1.00 0.00 C +ATOM 203 OG SER A 13 6.246 -7.721 4.648 1.00 0.00 O +ATOM 204 H SER A 13 5.417 -5.288 3.715 1.00 0.00 H +ATOM 205 HA SER A 13 8.023 -6.439 3.156 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.242 -7.590 2.876 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.749 -8.510 2.826 1.00 0.00 H +ATOM 208 HG SER A 13 7.152 -7.694 4.967 1.00 0.00 H +ATOM 209 N SER A 14 6.547 -5.244 0.623 1.00 0.00 N +ATOM 210 CA SER A 14 6.546 -5.037 -0.834 1.00 0.00 C +ATOM 211 C SER A 14 7.710 -4.195 -1.366 1.00 0.00 C +ATOM 212 O SER A 14 7.806 -3.980 -2.574 1.00 0.00 O +ATOM 213 CB SER A 14 5.255 -4.326 -1.232 1.00 0.00 C +ATOM 214 OG SER A 14 4.168 -5.191 -1.045 1.00 0.00 O +ATOM 215 H SER A 14 6.016 -4.575 1.174 1.00 0.00 H +ATOM 216 HA SER A 14 6.572 -6.003 -1.341 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.126 -3.452 -0.623 1.00 0.00 H +ATOM 218 HB3 SER A 14 5.295 -4.054 -2.288 1.00 0.00 H +ATOM 219 HG SER A 14 3.879 -5.451 -2.001 1.00 0.00 H +ATOM 220 N GLY A 15 8.565 -3.636 -0.501 1.00 0.00 N +ATOM 221 CA GLY A 15 9.674 -2.757 -0.898 1.00 0.00 C +ATOM 222 C GLY A 15 9.253 -1.339 -1.324 1.00 0.00 C +ATOM 223 O GLY A 15 9.969 -0.382 -1.033 1.00 0.00 O +ATOM 224 H GLY A 15 8.424 -3.831 0.482 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.376 -2.674 -0.069 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.203 -3.214 -1.736 1.00 0.00 H +ATOM 227 N ARG A 16 8.102 -1.178 -1.996 1.00 0.00 N +ATOM 228 CA ARG A 16 7.531 0.125 -2.365 1.00 0.00 C +ATOM 229 C ARG A 16 6.961 0.857 -1.128 1.00 0.00 C +ATOM 230 O ARG A 16 6.215 0.232 -0.372 1.00 0.00 O +ATOM 231 CB ARG A 16 6.442 -0.081 -3.437 1.00 0.00 C +ATOM 232 CG ARG A 16 5.971 1.260 -4.018 1.00 0.00 C +ATOM 233 CD ARG A 16 4.982 1.094 -5.178 1.00 0.00 C +ATOM 234 NE ARG A 16 4.802 2.367 -5.907 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.658 2.919 -6.763 1.00 0.00 C +ATOM 236 NH1 ARG A 16 6.787 2.331 -7.088 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.400 4.083 -7.311 1.00 0.00 N +ATOM 238 H ARG A 16 7.619 -2.035 -2.253 1.00 0.00 H +ATOM 239 HA ARG A 16 8.340 0.714 -2.794 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.841 -0.685 -4.229 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.593 -0.617 -3.009 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.493 1.822 -3.239 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.844 1.801 -4.375 1.00 0.00 H +ATOM 244 HD2 ARG A 16 5.357 0.352 -5.856 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.021 0.765 -4.779 1.00 0.00 H +ATOM 246 HE ARG A 16 3.960 2.882 -5.711 1.00 0.00 H +ATOM 247 HH11 ARG A 16 6.987 1.438 -6.674 1.00 0.00 H +ATOM 248 HH12 ARG A 16 7.437 2.753 -7.728 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.551 4.572 -7.091 1.00 0.00 H +ATOM 250 HH22 ARG A 16 6.056 4.492 -7.951 1.00 0.00 H +ATOM 251 N PRO A 17 7.229 2.166 -0.931 1.00 0.00 N +ATOM 252 CA PRO A 17 6.645 2.952 0.164 1.00 0.00 C +ATOM 253 C PRO A 17 5.124 3.174 0.002 1.00 0.00 C +ATOM 254 O PRO A 17 4.593 2.997 -1.099 1.00 0.00 O +ATOM 255 CB PRO A 17 7.407 4.284 0.146 1.00 0.00 C +ATOM 256 CG PRO A 17 7.816 4.441 -1.315 1.00 0.00 C +ATOM 257 CD PRO A 17 8.118 3.003 -1.727 1.00 0.00 C +ATOM 258 HA PRO A 17 6.829 2.440 1.109 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.773 5.093 0.456 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.301 4.200 0.766 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.016 4.853 -1.900 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.685 5.087 -1.430 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.923 2.865 -2.773 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.154 2.758 -1.485 1.00 0.00 H +ATOM 265 N PRO A 18 4.413 3.584 1.073 1.00 0.00 N +ATOM 266 CA PRO A 18 2.970 3.822 1.030 1.00 0.00 C +ATOM 267 C PRO A 18 2.594 5.069 0.201 1.00 0.00 C +ATOM 268 O PRO A 18 3.394 5.998 0.089 1.00 0.00 O +ATOM 269 CB PRO A 18 2.538 3.970 2.492 1.00 0.00 C +ATOM 270 CG PRO A 18 3.794 4.489 3.188 1.00 0.00 C +ATOM 271 CD PRO A 18 4.918 3.789 2.425 1.00 0.00 C +ATOM 272 HA PRO A 18 2.489 2.946 0.603 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.732 4.672 2.584 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.286 2.991 2.895 1.00 0.00 H +ATOM 275 HG2 PRO A 18 3.872 5.555 3.099 1.00 0.00 H +ATOM 276 HG3 PRO A 18 3.805 4.232 4.248 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.797 4.405 2.406 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.127 2.823 2.884 1.00 0.00 H +ATOM 279 N PRO A 19 1.367 5.119 -0.360 1.00 0.00 N +ATOM 280 CA PRO A 19 0.902 6.218 -1.210 1.00 0.00 C +ATOM 281 C PRO A 19 0.393 7.441 -0.434 1.00 0.00 C +ATOM 282 O PRO A 19 0.376 8.539 -0.986 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.244 5.614 -2.031 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.838 4.567 -1.088 1.00 0.00 C +ATOM 285 CD PRO A 19 0.396 4.036 -0.365 1.00 0.00 C +ATOM 286 HA PRO A 19 1.700 6.542 -1.881 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.972 6.361 -2.283 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.161 5.121 -2.915 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.529 5.013 -0.399 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.356 3.777 -1.634 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.146 3.757 0.640 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.819 3.209 -0.930 1.00 0.00 H +ATOM 293 N SER A 20 -0.071 7.250 0.808 1.00 0.00 N +ATOM 294 CA SER A 20 -0.627 8.275 1.694 1.00 0.00 C +ATOM 295 C SER A 20 -0.615 7.810 3.147 1.00 0.00 C +ATOM 296 O SER A 20 -0.310 6.619 3.378 1.00 0.00 O +ATOM 297 CB SER A 20 -2.071 8.593 1.302 1.00 0.00 C +ATOM 298 OG SER A 20 -2.519 9.564 2.220 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.045 8.668 3.958 1.00 0.00 O +ATOM 300 H SER A 20 0.027 6.343 1.249 1.00 0.00 H +ATOM 301 HA SER A 20 -0.028 9.183 1.627 1.00 0.00 H +ATOM 302 HB2 SER A 20 -2.109 8.980 0.302 1.00 0.00 H +ATOM 303 HB3 SER A 20 -2.678 7.692 1.404 1.00 0.00 H +ATOM 304 HG SER A 20 -1.976 9.352 3.052 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 27 +ATOM 1 N ASN A 1 -6.891 7.053 0.882 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.783 6.096 0.185 1.00 0.00 C +ATOM 3 C ASN A 1 -7.000 4.934 -0.439 1.00 0.00 C +ATOM 4 O ASN A 1 -7.252 3.795 -0.069 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.741 6.795 -0.802 1.00 0.00 C +ATOM 6 CG ASN A 1 -10.186 6.423 -0.481 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.742 5.509 -1.060 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.818 7.078 0.477 1.00 0.00 N +ATOM 9 H1 ASN A 1 -6.270 6.561 1.512 1.00 0.00 H +ATOM 10 H2 ASN A 1 -6.341 7.576 0.215 1.00 0.00 H +ATOM 11 H3 ASN A 1 -7.442 7.704 1.424 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.409 5.625 0.947 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.621 7.858 -0.720 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.526 6.488 -1.827 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -10.460 7.874 0.978 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -11.767 6.760 0.616 1.00 0.00 H +ATOM 17 N LEU A 2 -6.006 5.194 -1.304 1.00 0.00 N +ATOM 18 CA LEU A 2 -5.176 4.163 -1.955 1.00 0.00 C +ATOM 19 C LEU A 2 -4.381 3.236 -1.006 1.00 0.00 C +ATOM 20 O LEU A 2 -3.851 2.217 -1.451 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.228 4.849 -2.968 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.572 4.553 -4.446 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.888 5.843 -5.207 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -3.420 3.823 -5.139 1.00 0.00 C +ATOM 25 H LEU A 2 -5.840 6.139 -1.619 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.853 3.499 -2.494 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.280 5.910 -2.815 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.207 4.517 -2.778 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.453 3.919 -4.507 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.757 6.328 -4.763 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -4.034 6.520 -5.172 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -5.113 5.608 -6.248 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.521 4.441 -5.130 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -3.217 2.884 -4.623 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.691 3.600 -6.170 1.00 0.00 H +ATOM 36 N TYR A 3 -4.322 3.538 0.295 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.630 2.739 1.309 1.00 0.00 C +ATOM 38 C TYR A 3 -4.063 1.261 1.312 1.00 0.00 C +ATOM 39 O TYR A 3 -3.226 0.377 1.478 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.838 3.395 2.684 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.746 3.070 3.682 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -1.555 3.822 3.668 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -2.916 2.041 4.628 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -0.528 3.543 4.588 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -1.889 1.757 5.549 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.690 2.503 5.526 1.00 0.00 C +ATOM 47 OH TYR A 3 0.302 2.210 6.407 1.00 0.00 O +ATOM 48 H TYR A 3 -4.782 4.379 0.596 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.564 2.767 1.081 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.870 4.459 2.551 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.808 3.100 3.087 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -1.427 4.632 2.963 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -3.834 1.470 4.653 1.00 0.00 H +ATOM 54 HE1 TYR A 3 0.367 4.148 4.584 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -1.998 0.980 6.291 1.00 0.00 H +ATOM 56 HH TYR A 3 1.068 2.771 6.272 1.00 0.00 H +ATOM 57 N ILE A 4 -5.351 0.975 1.056 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.888 -0.395 0.981 1.00 0.00 C +ATOM 59 C ILE A 4 -5.258 -1.202 -0.170 1.00 0.00 C +ATOM 60 O ILE A 4 -5.000 -2.397 -0.010 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.431 -0.365 0.840 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.123 0.422 1.988 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.009 -1.791 0.799 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.974 1.614 1.515 1.00 0.00 C +ATOM 65 H ILE A 4 -5.981 1.754 0.908 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.641 -0.909 1.910 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.663 0.104 -0.117 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.761 -0.255 2.523 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.383 0.790 2.700 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.689 -2.299 -0.111 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.678 -2.350 1.677 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.099 -1.748 0.791 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -8.549 2.540 1.901 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.023 1.674 0.427 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.990 1.511 1.898 1.00 0.00 H +ATOM 76 N GLN A 5 -5.008 -0.559 -1.320 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.326 -1.156 -2.473 1.00 0.00 C +ATOM 78 C GLN A 5 -2.853 -1.433 -2.147 1.00 0.00 C +ATOM 79 O GLN A 5 -2.377 -2.543 -2.369 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.472 -0.240 -3.703 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.830 -0.425 -4.399 1.00 0.00 C +ATOM 82 CD GLN A 5 -6.178 0.770 -5.279 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.720 0.909 -6.400 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -7.002 1.685 -4.804 1.00 0.00 N +ATOM 85 H GLN A 5 -5.155 0.443 -1.336 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.787 -2.118 -2.705 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.380 0.781 -3.387 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.684 -0.462 -4.425 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.791 -1.307 -5.009 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.617 -0.559 -3.656 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.431 1.614 -3.898 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -7.199 2.423 -5.458 1.00 0.00 H +ATOM 93 N TRP A 6 -2.147 -0.465 -1.550 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.764 -0.655 -1.100 1.00 0.00 C +ATOM 95 C TRP A 6 -0.620 -1.767 -0.046 1.00 0.00 C +ATOM 96 O TRP A 6 0.292 -2.590 -0.131 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.223 0.670 -0.570 1.00 0.00 C +ATOM 98 CG TRP A 6 1.164 0.588 -0.013 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.300 0.553 -0.745 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.583 0.484 1.384 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.385 0.445 0.101 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.006 0.404 1.417 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.917 0.446 2.628 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.739 0.321 2.605 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.641 0.345 3.833 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.047 0.297 3.825 1.00 0.00 C +ATOM 107 H TRP A 6 -2.601 0.431 -1.402 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.156 -0.955 -1.957 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.221 1.379 -1.376 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.886 1.043 0.211 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.343 0.604 -1.827 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.363 0.430 -0.184 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.163 0.502 2.652 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.818 0.270 2.567 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.113 0.309 4.774 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.594 0.239 4.756 1.00 0.00 H +ATOM 117 N LEU A 7 -1.538 -1.844 0.927 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.586 -2.971 1.862 1.00 0.00 C +ATOM 119 C LEU A 7 -1.803 -4.308 1.137 1.00 0.00 C +ATOM 120 O LEU A 7 -1.174 -5.298 1.515 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.666 -2.743 2.930 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.317 -1.692 4.002 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.510 -1.571 4.957 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.074 -2.069 4.817 1.00 0.00 C +ATOM 125 H LEU A 7 -2.228 -1.098 1.006 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.615 -3.051 2.349 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.562 -2.425 2.433 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.847 -3.693 3.438 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.144 -0.726 3.537 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.393 -1.251 4.403 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.709 -2.532 5.432 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.298 -0.838 5.731 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.167 -3.087 5.199 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.183 -1.995 4.196 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.956 -1.382 5.655 1.00 0.00 H +ATOM 136 N LYS A 8 -2.624 -4.342 0.073 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.837 -5.530 -0.770 1.00 0.00 C +ATOM 138 C LYS A 8 -1.539 -6.072 -1.384 1.00 0.00 C +ATOM 139 O LYS A 8 -1.398 -7.286 -1.490 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.851 -5.224 -1.892 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.867 -6.357 -2.133 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.241 -6.033 -1.528 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.193 -5.982 0.004 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.398 -5.322 0.557 1.00 0.00 N +ATOM 145 H LYS A 8 -3.095 -3.479 -0.180 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.224 -6.323 -0.132 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.391 -4.335 -1.628 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.307 -5.048 -2.822 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.979 -6.503 -3.190 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -4.495 -7.304 -1.740 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.567 -5.079 -1.897 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.954 -6.797 -1.840 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.136 -6.983 0.386 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -5.303 -5.427 0.313 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -7.411 -4.352 0.270 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -8.235 -5.778 0.219 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -7.387 -5.360 1.567 1.00 0.00 H +ATOM 158 N ASP A 9 -0.586 -5.196 -1.733 1.00 0.00 N +ATOM 159 CA ASP A 9 0.742 -5.596 -2.224 1.00 0.00 C +ATOM 160 C ASP A 9 1.596 -6.294 -1.144 1.00 0.00 C +ATOM 161 O ASP A 9 2.602 -6.919 -1.489 1.00 0.00 O +ATOM 162 CB ASP A 9 1.544 -4.384 -2.750 1.00 0.00 C +ATOM 163 CG ASP A 9 0.978 -3.644 -3.968 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.247 -4.280 -4.760 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.381 -2.472 -4.162 1.00 0.00 O +ATOM 166 H ASP A 9 -0.811 -4.209 -1.663 1.00 0.00 H +ATOM 167 HA ASP A 9 0.611 -6.302 -3.046 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.620 -3.675 -1.948 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.528 -4.743 -3.048 1.00 0.00 H +ATOM 170 N GLY A 10 1.242 -6.171 0.145 1.00 0.00 N +ATOM 171 CA GLY A 10 2.030 -6.642 1.290 1.00 0.00 C +ATOM 172 C GLY A 10 2.603 -5.520 2.168 1.00 0.00 C +ATOM 173 O GLY A 10 3.419 -5.803 3.047 1.00 0.00 O +ATOM 174 H GLY A 10 0.348 -5.733 0.351 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.391 -7.260 1.920 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.859 -7.262 0.950 1.00 0.00 H +ATOM 177 N GLY A 11 2.213 -4.255 1.949 1.00 0.00 N +ATOM 178 CA GLY A 11 2.700 -3.121 2.734 1.00 0.00 C +ATOM 179 C GLY A 11 4.238 -3.008 2.707 1.00 0.00 C +ATOM 180 O GLY A 11 4.830 -3.106 1.626 1.00 0.00 O +ATOM 181 H GLY A 11 1.566 -4.066 1.192 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.278 -2.203 2.330 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.340 -3.242 3.755 1.00 0.00 H +ATOM 184 N PRO A 12 4.916 -2.815 3.863 1.00 0.00 N +ATOM 185 CA PRO A 12 6.378 -2.719 3.922 1.00 0.00 C +ATOM 186 C PRO A 12 7.104 -3.938 3.329 1.00 0.00 C +ATOM 187 O PRO A 12 8.203 -3.799 2.793 1.00 0.00 O +ATOM 188 CB PRO A 12 6.739 -2.555 5.405 1.00 0.00 C +ATOM 189 CG PRO A 12 5.447 -2.080 6.062 1.00 0.00 C +ATOM 190 CD PRO A 12 4.360 -2.729 5.208 1.00 0.00 C +ATOM 191 HA PRO A 12 6.689 -1.827 3.377 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.056 -3.491 5.824 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.544 -1.832 5.542 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.388 -2.415 7.080 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.375 -0.995 5.986 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.126 -3.708 5.580 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.453 -2.129 5.244 1.00 0.00 H +ATOM 198 N SER A 13 6.487 -5.126 3.383 1.00 0.00 N +ATOM 199 CA SER A 13 7.062 -6.391 2.910 1.00 0.00 C +ATOM 200 C SER A 13 7.106 -6.523 1.380 1.00 0.00 C +ATOM 201 O SER A 13 7.528 -7.564 0.882 1.00 0.00 O +ATOM 202 CB SER A 13 6.294 -7.570 3.525 1.00 0.00 C +ATOM 203 OG SER A 13 6.273 -7.463 4.938 1.00 0.00 O +ATOM 204 H SER A 13 5.554 -5.180 3.780 1.00 0.00 H +ATOM 205 HA SER A 13 8.093 -6.447 3.259 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.287 -7.567 3.155 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.781 -8.506 3.247 1.00 0.00 H +ATOM 208 HG SER A 13 7.175 -7.487 5.266 1.00 0.00 H +ATOM 209 N SER A 14 6.699 -5.485 0.633 1.00 0.00 N +ATOM 210 CA SER A 14 6.610 -5.482 -0.834 1.00 0.00 C +ATOM 211 C SER A 14 7.584 -4.502 -1.514 1.00 0.00 C +ATOM 212 O SER A 14 7.442 -4.206 -2.702 1.00 0.00 O +ATOM 213 CB SER A 14 5.155 -5.226 -1.232 1.00 0.00 C +ATOM 214 OG SER A 14 4.800 -6.039 -2.327 1.00 0.00 O +ATOM 215 H SER A 14 6.332 -4.681 1.131 1.00 0.00 H +ATOM 216 HA SER A 14 6.872 -6.476 -1.198 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.515 -5.452 -0.401 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.998 -4.181 -1.482 1.00 0.00 H +ATOM 219 HG SER A 14 3.937 -6.470 -2.076 1.00 0.00 H +ATOM 220 N GLY A 15 8.565 -3.977 -0.761 1.00 0.00 N +ATOM 221 CA GLY A 15 9.672 -3.163 -1.282 1.00 0.00 C +ATOM 222 C GLY A 15 9.268 -1.785 -1.820 1.00 0.00 C +ATOM 223 O GLY A 15 9.964 -1.240 -2.674 1.00 0.00 O +ATOM 224 H GLY A 15 8.599 -4.262 0.210 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.403 -3.009 -0.487 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.168 -3.709 -2.087 1.00 0.00 H +ATOM 227 N ARG A 16 8.140 -1.233 -1.349 1.00 0.00 N +ATOM 228 CA ARG A 16 7.498 -0.025 -1.884 1.00 0.00 C +ATOM 229 C ARG A 16 6.929 0.860 -0.758 1.00 0.00 C +ATOM 230 O ARG A 16 6.271 0.329 0.139 1.00 0.00 O +ATOM 231 CB ARG A 16 6.407 -0.441 -2.895 1.00 0.00 C +ATOM 232 CG ARG A 16 5.361 -1.404 -2.301 1.00 0.00 C +ATOM 233 CD ARG A 16 4.279 -1.827 -3.291 1.00 0.00 C +ATOM 234 NE ARG A 16 4.779 -2.819 -4.260 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.349 -2.952 -5.509 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.327 -2.269 -5.969 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.939 -3.800 -6.319 1.00 0.00 N +ATOM 238 H ARG A 16 7.655 -1.742 -0.622 1.00 0.00 H +ATOM 239 HA ARG A 16 8.255 0.540 -2.429 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.902 0.443 -3.234 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.890 -0.927 -3.745 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.869 -2.285 -1.958 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.860 -0.926 -1.472 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.459 -2.256 -2.747 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.903 -0.939 -3.800 1.00 0.00 H +ATOM 246 HE ARG A 16 5.524 -3.428 -3.947 1.00 0.00 H +ATOM 247 HH11 ARG A 16 2.617 -2.056 -5.244 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.019 -2.337 -6.918 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.659 -4.401 -5.958 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.587 -3.922 -7.250 1.00 0.00 H +ATOM 251 N PRO A 17 7.128 2.192 -0.787 1.00 0.00 N +ATOM 252 CA PRO A 17 6.585 3.097 0.228 1.00 0.00 C +ATOM 253 C PRO A 17 5.060 3.276 0.076 1.00 0.00 C +ATOM 254 O PRO A 17 4.523 3.016 -1.003 1.00 0.00 O +ATOM 255 CB PRO A 17 7.327 4.419 0.005 1.00 0.00 C +ATOM 256 CG PRO A 17 7.594 4.418 -1.499 1.00 0.00 C +ATOM 257 CD PRO A 17 7.848 2.945 -1.807 1.00 0.00 C +ATOM 258 HA PRO A 17 6.811 2.711 1.221 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.717 5.255 0.287 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.275 4.397 0.543 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.743 4.783 -2.041 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.452 5.039 -1.758 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.478 2.699 -2.783 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.915 2.731 -1.732 1.00 0.00 H +ATOM 265 N PRO A 18 4.352 3.730 1.131 1.00 0.00 N +ATOM 266 CA PRO A 18 2.910 3.955 1.082 1.00 0.00 C +ATOM 267 C PRO A 18 2.524 5.163 0.203 1.00 0.00 C +ATOM 268 O PRO A 18 3.330 6.074 0.016 1.00 0.00 O +ATOM 269 CB PRO A 18 2.481 4.156 2.540 1.00 0.00 C +ATOM 270 CG PRO A 18 3.734 4.715 3.207 1.00 0.00 C +ATOM 271 CD PRO A 18 4.864 4.002 2.467 1.00 0.00 C +ATOM 272 HA PRO A 18 2.431 3.060 0.690 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.667 4.852 2.608 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.235 3.190 2.981 1.00 0.00 H +ATOM 275 HG2 PRO A 18 3.798 5.778 3.077 1.00 0.00 H +ATOM 276 HG3 PRO A 18 3.753 4.504 4.277 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.732 4.631 2.414 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.090 3.058 2.966 1.00 0.00 H +ATOM 279 N PRO A 19 1.275 5.206 -0.306 1.00 0.00 N +ATOM 280 CA PRO A 19 0.771 6.284 -1.164 1.00 0.00 C +ATOM 281 C PRO A 19 0.330 7.537 -0.389 1.00 0.00 C +ATOM 282 O PRO A 19 0.160 8.598 -0.988 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.429 5.664 -1.889 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.979 4.669 -0.864 1.00 0.00 C +ATOM 285 CD PRO A 19 0.284 4.149 -0.189 1.00 0.00 C +ATOM 286 HA PRO A 19 1.528 6.574 -1.894 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.160 6.411 -2.131 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.083 5.121 -2.771 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.622 5.157 -0.157 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.531 3.860 -1.339 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.091 3.933 0.844 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.650 3.279 -0.729 1.00 0.00 H +ATOM 293 N SER A 20 0.116 7.403 0.925 1.00 0.00 N +ATOM 294 CA SER A 20 -0.336 8.429 1.868 1.00 0.00 C +ATOM 295 C SER A 20 0.288 8.158 3.235 1.00 0.00 C +ATOM 296 O SER A 20 1.091 8.990 3.697 1.00 0.00 O +ATOM 297 CB SER A 20 -1.868 8.401 1.974 1.00 0.00 C +ATOM 298 OG SER A 20 -2.214 7.177 2.590 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.112 7.093 3.776 1.00 0.00 O +ATOM 300 H SER A 20 0.272 6.489 1.323 1.00 0.00 H +ATOM 301 HA SER A 20 -0.007 9.414 1.535 1.00 0.00 H +ATOM 302 HB2 SER A 20 -2.212 9.224 2.570 1.00 0.00 H +ATOM 303 HB3 SER A 20 -2.324 8.479 0.986 1.00 0.00 H +ATOM 304 HG SER A 20 -1.394 7.015 3.184 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 28 +ATOM 1 N ASN A 1 -4.637 8.314 0.281 1.00 0.00 N +ATOM 2 CA ASN A 1 -5.414 7.451 -0.654 1.00 0.00 C +ATOM 3 C ASN A 1 -4.552 6.258 -1.103 1.00 0.00 C +ATOM 4 O ASN A 1 -3.410 6.182 -0.671 1.00 0.00 O +ATOM 5 CB ASN A 1 -5.986 8.274 -1.830 1.00 0.00 C +ATOM 6 CG ASN A 1 -7.060 7.510 -2.606 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -7.598 6.525 -2.122 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -7.361 7.888 -3.833 1.00 0.00 N +ATOM 9 H1 ASN A 1 -4.274 7.750 1.038 1.00 0.00 H +ATOM 10 H2 ASN A 1 -3.845 8.730 -0.193 1.00 0.00 H +ATOM 11 H3 ASN A 1 -5.220 9.048 0.659 1.00 0.00 H +ATOM 12 HA ASN A 1 -6.264 7.034 -0.107 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -6.417 9.177 -1.442 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -5.178 8.555 -2.505 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -6.930 8.673 -4.294 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -8.069 7.331 -4.288 1.00 0.00 H +ATOM 17 N LEU A 2 -5.081 5.309 -1.895 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.421 4.095 -2.428 1.00 0.00 C +ATOM 19 C LEU A 2 -3.907 3.086 -1.373 1.00 0.00 C +ATOM 20 O LEU A 2 -3.438 2.004 -1.727 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.323 4.462 -3.461 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.852 4.852 -4.858 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.240 6.330 -4.955 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.790 4.587 -5.929 1.00 0.00 C +ATOM 25 H LEU A 2 -6.060 5.437 -2.149 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.183 3.538 -2.975 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -2.763 5.291 -3.073 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.689 3.583 -3.592 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.724 4.242 -5.093 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.010 6.557 -4.229 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.370 6.961 -4.774 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.633 6.540 -5.950 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -1.903 5.190 -5.739 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -2.517 3.530 -5.926 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.189 4.833 -6.912 1.00 0.00 H +ATOM 36 N TYR A 3 -4.044 3.394 -0.080 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.489 2.632 1.037 1.00 0.00 C +ATOM 38 C TYR A 3 -3.961 1.172 1.078 1.00 0.00 C +ATOM 39 O TYR A 3 -3.161 0.277 1.338 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.815 3.362 2.349 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.670 3.331 3.335 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.480 2.213 4.167 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.776 4.416 3.400 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.407 2.188 5.077 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.707 4.403 4.312 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.523 3.285 5.158 1.00 0.00 C +ATOM 47 OH TYR A 3 0.472 3.267 6.085 1.00 0.00 O +ATOM 48 H TYR A 3 -4.369 4.327 0.113 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.405 2.622 0.917 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.046 4.385 2.124 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.703 2.925 2.808 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.164 1.380 4.111 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.914 5.270 2.750 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.257 1.345 5.732 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.031 5.245 4.351 1.00 0.00 H +ATOM 56 HH TYR A 3 0.616 4.135 6.463 1.00 0.00 H +ATOM 57 N ILE A 4 -5.240 0.915 0.764 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.800 -0.440 0.662 1.00 0.00 C +ATOM 59 C ILE A 4 -5.054 -1.256 -0.409 1.00 0.00 C +ATOM 60 O ILE A 4 -4.725 -2.421 -0.194 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.321 -0.381 0.365 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.099 0.508 1.368 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.932 -1.793 0.371 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.620 1.792 0.710 1.00 0.00 C +ATOM 65 H ILE A 4 -5.837 1.705 0.575 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.656 -0.946 1.618 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.455 0.022 -0.641 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.933 -0.049 1.751 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.469 0.772 2.219 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.495 -2.396 -0.421 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.751 -2.278 1.331 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.007 -1.735 0.196 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.790 2.390 0.335 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.288 1.538 -0.114 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.178 2.375 1.445 1.00 0.00 H +ATOM 76 N GLN A 5 -4.758 -0.632 -1.557 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.009 -1.246 -2.650 1.00 0.00 C +ATOM 78 C GLN A 5 -2.556 -1.532 -2.257 1.00 0.00 C +ATOM 79 O GLN A 5 -2.056 -2.621 -2.522 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.126 -0.385 -3.921 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.525 -1.255 -5.121 1.00 0.00 C +ATOM 82 CD GLN A 5 -4.816 -0.407 -6.354 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.867 0.201 -6.470 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -3.916 -0.347 -7.314 1.00 0.00 N +ATOM 85 H GLN A 5 -4.955 0.358 -1.625 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.460 -2.209 -2.849 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.872 0.371 -3.769 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.180 0.117 -4.130 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -3.722 -1.931 -5.344 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.434 -1.805 -4.876 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -3.043 -0.844 -7.271 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -4.190 0.218 -8.099 1.00 0.00 H +ATOM 93 N TRP A 6 -1.905 -0.591 -1.563 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.573 -0.794 -0.989 1.00 0.00 C +ATOM 95 C TRP A 6 -0.539 -1.937 0.047 1.00 0.00 C +ATOM 96 O TRP A 6 0.365 -2.772 0.016 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.090 0.537 -0.404 1.00 0.00 C +ATOM 98 CG TRP A 6 1.273 0.496 0.209 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.441 0.483 -0.473 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.630 0.425 1.623 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.492 0.396 0.418 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.053 0.371 1.722 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.899 0.398 2.830 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.719 0.302 2.954 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.557 0.314 4.072 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.961 0.267 4.137 1.00 0.00 C +ATOM 107 H TRP A 6 -2.385 0.292 -1.412 1.00 0.00 H +ATOM 108 HA TRP A 6 0.108 -1.080 -1.790 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.079 1.264 -1.193 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.793 0.874 0.356 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.536 0.516 -1.550 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.475 0.350 0.133 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.179 0.447 2.791 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.797 0.257 2.979 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 0.979 0.296 4.987 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.455 0.210 5.097 1.00 0.00 H +ATOM 117 N LEU A 7 -1.539 -2.023 0.936 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.647 -3.114 1.911 1.00 0.00 C +ATOM 119 C LEU A 7 -1.880 -4.491 1.263 1.00 0.00 C +ATOM 120 O LEU A 7 -1.299 -5.464 1.739 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.744 -2.801 2.945 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.387 -1.679 3.942 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.618 -1.346 4.787 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.248 -2.065 4.893 1.00 0.00 C +ATOM 125 H LEU A 7 -2.229 -1.275 0.955 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.693 -3.194 2.432 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.630 -2.508 2.415 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.953 -3.706 3.517 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.088 -0.784 3.401 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.425 -0.996 4.140 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.951 -2.230 5.330 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.378 -0.561 5.504 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.499 -2.980 5.429 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.325 -2.214 4.336 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -1.082 -1.265 5.612 1.00 0.00 H +ATOM 136 N LYS A 8 -2.664 -4.593 0.174 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.892 -5.859 -0.562 1.00 0.00 C +ATOM 138 C LYS A 8 -1.591 -6.528 -1.022 1.00 0.00 C +ATOM 139 O LYS A 8 -1.477 -7.746 -0.936 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.818 -5.628 -1.769 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.295 -5.486 -1.357 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.116 -4.646 -2.351 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.882 -5.452 -3.401 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.477 -4.544 -4.411 1.00 0.00 N +ATOM 145 H LYS A 8 -3.145 -3.750 -0.132 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.367 -6.574 0.111 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.512 -4.730 -2.271 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.736 -6.467 -2.462 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.729 -6.465 -1.296 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.344 -4.993 -0.387 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.826 -4.068 -1.791 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.454 -3.961 -2.867 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.208 -6.131 -3.888 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.667 -6.022 -2.896 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.054 -3.846 -3.961 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -6.746 -4.071 -4.926 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -8.047 -5.062 -5.068 1.00 0.00 H +ATOM 158 N ASP A 9 -0.606 -5.739 -1.457 1.00 0.00 N +ATOM 159 CA ASP A 9 0.739 -6.198 -1.825 1.00 0.00 C +ATOM 160 C ASP A 9 1.651 -6.499 -0.611 1.00 0.00 C +ATOM 161 O ASP A 9 2.838 -6.780 -0.797 1.00 0.00 O +ATOM 162 CB ASP A 9 1.370 -5.155 -2.771 1.00 0.00 C +ATOM 163 CG ASP A 9 1.177 -5.531 -4.240 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.135 -5.136 -4.811 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.077 -6.215 -4.775 1.00 0.00 O +ATOM 166 H ASP A 9 -0.801 -4.748 -1.533 1.00 0.00 H +ATOM 167 HA ASP A 9 0.652 -7.136 -2.376 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.911 -4.202 -2.593 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.441 -5.088 -2.597 1.00 0.00 H +ATOM 170 N GLY A 10 1.167 -6.398 0.637 1.00 0.00 N +ATOM 171 CA GLY A 10 1.944 -6.694 1.851 1.00 0.00 C +ATOM 172 C GLY A 10 2.520 -5.474 2.584 1.00 0.00 C +ATOM 173 O GLY A 10 3.356 -5.650 3.475 1.00 0.00 O +ATOM 174 H GLY A 10 0.189 -6.147 0.762 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.294 -7.220 2.549 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.770 -7.362 1.607 1.00 0.00 H +ATOM 177 N GLY A 11 2.100 -4.254 2.229 1.00 0.00 N +ATOM 178 CA GLY A 11 2.528 -2.992 2.832 1.00 0.00 C +ATOM 179 C GLY A 11 4.060 -2.837 2.922 1.00 0.00 C +ATOM 180 O GLY A 11 4.712 -2.686 1.888 1.00 0.00 O +ATOM 181 H GLY A 11 1.508 -4.184 1.407 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.150 -2.182 2.211 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.067 -2.896 3.812 1.00 0.00 H +ATOM 184 N PRO A 12 4.678 -2.872 4.125 1.00 0.00 N +ATOM 185 CA PRO A 12 6.137 -2.792 4.262 1.00 0.00 C +ATOM 186 C PRO A 12 6.903 -3.861 3.466 1.00 0.00 C +ATOM 187 O PRO A 12 8.043 -3.629 3.069 1.00 0.00 O +ATOM 188 CB PRO A 12 6.429 -2.936 5.761 1.00 0.00 C +ATOM 189 CG PRO A 12 5.120 -2.531 6.433 1.00 0.00 C +ATOM 190 CD PRO A 12 4.058 -2.991 5.436 1.00 0.00 C +ATOM 191 HA PRO A 12 6.463 -1.808 3.926 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.685 -3.949 6.004 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.254 -2.292 6.069 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.002 -3.028 7.377 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.080 -1.447 6.534 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.779 -4.009 5.628 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.172 -2.363 5.530 1.00 0.00 H +ATOM 198 N SER A 13 6.278 -5.017 3.209 1.00 0.00 N +ATOM 199 CA SER A 13 6.884 -6.142 2.489 1.00 0.00 C +ATOM 200 C SER A 13 6.737 -6.043 0.960 1.00 0.00 C +ATOM 201 O SER A 13 7.147 -6.960 0.254 1.00 0.00 O +ATOM 202 CB SER A 13 6.306 -7.461 3.021 1.00 0.00 C +ATOM 203 OG SER A 13 6.621 -7.599 4.395 1.00 0.00 O +ATOM 204 H SER A 13 5.320 -5.131 3.531 1.00 0.00 H +ATOM 205 HA SER A 13 7.953 -6.155 2.698 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.240 -7.459 2.898 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.742 -8.301 2.479 1.00 0.00 H +ATOM 208 HG SER A 13 5.808 -7.714 4.892 1.00 0.00 H +ATOM 209 N SER A 14 6.176 -4.942 0.434 1.00 0.00 N +ATOM 210 CA SER A 14 5.884 -4.748 -0.996 1.00 0.00 C +ATOM 211 C SER A 14 7.004 -4.076 -1.802 1.00 0.00 C +ATOM 212 O SER A 14 6.860 -3.890 -3.006 1.00 0.00 O +ATOM 213 CB SER A 14 4.636 -3.874 -1.140 1.00 0.00 C +ATOM 214 OG SER A 14 3.598 -4.383 -0.343 1.00 0.00 O +ATOM 215 H SER A 14 5.795 -4.245 1.069 1.00 0.00 H +ATOM 216 HA SER A 14 5.675 -5.716 -1.456 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.865 -2.873 -0.828 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.320 -3.854 -2.182 1.00 0.00 H +ATOM 219 HG SER A 14 3.437 -5.331 -0.578 1.00 0.00 H +ATOM 220 N GLY A 15 8.091 -3.636 -1.156 1.00 0.00 N +ATOM 221 CA GLY A 15 9.222 -2.961 -1.807 1.00 0.00 C +ATOM 222 C GLY A 15 8.979 -1.499 -2.225 1.00 0.00 C +ATOM 223 O GLY A 15 9.937 -0.811 -2.570 1.00 0.00 O +ATOM 224 H GLY A 15 8.136 -3.819 -0.163 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.080 -2.981 -1.136 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.494 -3.517 -2.706 1.00 0.00 H +ATOM 227 N ARG A 16 7.733 -1.005 -2.166 1.00 0.00 N +ATOM 228 CA ARG A 16 7.340 0.378 -2.469 1.00 0.00 C +ATOM 229 C ARG A 16 6.864 1.090 -1.189 1.00 0.00 C +ATOM 230 O ARG A 16 6.138 0.469 -0.408 1.00 0.00 O +ATOM 231 CB ARG A 16 6.242 0.351 -3.552 1.00 0.00 C +ATOM 232 CG ARG A 16 5.909 1.749 -4.102 1.00 0.00 C +ATOM 233 CD ARG A 16 4.828 1.696 -5.186 1.00 0.00 C +ATOM 234 NE ARG A 16 4.677 3.011 -5.838 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.080 3.264 -6.997 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.453 2.326 -7.670 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.108 4.474 -7.504 1.00 0.00 N +ATOM 238 H ARG A 16 7.011 -1.654 -1.889 1.00 0.00 H +ATOM 239 HA ARG A 16 8.211 0.896 -2.870 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.577 -0.266 -4.364 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.337 -0.100 -3.141 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.561 2.365 -3.295 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.814 2.176 -4.534 1.00 0.00 H +ATOM 244 HD2 ARG A 16 5.104 0.967 -5.923 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.881 1.398 -4.732 1.00 0.00 H +ATOM 246 HE ARG A 16 5.099 3.795 -5.368 1.00 0.00 H +ATOM 247 HH11 ARG A 16 3.423 1.404 -7.274 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.006 2.520 -8.548 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.586 5.218 -7.026 1.00 0.00 H +ATOM 250 HH22 ARG A 16 3.669 4.656 -8.390 1.00 0.00 H +ATOM 251 N PRO A 17 7.209 2.375 -0.963 1.00 0.00 N +ATOM 252 CA PRO A 17 6.738 3.134 0.201 1.00 0.00 C +ATOM 253 C PRO A 17 5.208 3.346 0.203 1.00 0.00 C +ATOM 254 O PRO A 17 4.576 3.259 -0.855 1.00 0.00 O +ATOM 255 CB PRO A 17 7.490 4.471 0.149 1.00 0.00 C +ATOM 256 CG PRO A 17 7.846 4.634 -1.326 1.00 0.00 C +ATOM 257 CD PRO A 17 8.110 3.196 -1.761 1.00 0.00 C +ATOM 258 HA PRO A 17 7.021 2.596 1.106 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.862 5.275 0.482 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.407 4.394 0.736 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.031 5.063 -1.877 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.720 5.268 -1.469 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.900 3.076 -2.806 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.141 2.925 -1.531 1.00 0.00 H +ATOM 265 N PRO A 18 4.607 3.648 1.372 1.00 0.00 N +ATOM 266 CA PRO A 18 3.168 3.868 1.495 1.00 0.00 C +ATOM 267 C PRO A 18 2.728 5.176 0.813 1.00 0.00 C +ATOM 268 O PRO A 18 3.421 6.189 0.932 1.00 0.00 O +ATOM 269 CB PRO A 18 2.880 3.905 2.999 1.00 0.00 C +ATOM 270 CG PRO A 18 4.202 4.357 3.615 1.00 0.00 C +ATOM 271 CD PRO A 18 5.252 3.767 2.674 1.00 0.00 C +ATOM 272 HA PRO A 18 2.650 3.021 1.056 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.097 4.604 3.221 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.640 2.905 3.351 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.268 5.428 3.640 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.322 3.987 4.633 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.103 4.418 2.610 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.544 2.776 3.024 1.00 0.00 H +ATOM 279 N PRO A 19 1.566 5.189 0.135 1.00 0.00 N +ATOM 280 CA PRO A 19 0.986 6.406 -0.419 1.00 0.00 C +ATOM 281 C PRO A 19 0.340 7.243 0.694 1.00 0.00 C +ATOM 282 O PRO A 19 -0.310 6.698 1.588 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.045 5.908 -1.435 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.542 4.596 -0.823 1.00 0.00 C +ATOM 285 CD PRO A 19 0.688 4.050 -0.100 1.00 0.00 C +ATOM 286 HA PRO A 19 1.751 6.996 -0.927 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.849 6.611 -1.542 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.455 5.698 -2.382 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.344 4.774 -0.133 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.898 3.904 -1.584 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.402 3.603 0.833 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.199 3.327 -0.734 1.00 0.00 H +ATOM 293 N SER A 20 0.480 8.571 0.624 1.00 0.00 N +ATOM 294 CA SER A 20 -0.125 9.511 1.572 1.00 0.00 C +ATOM 295 C SER A 20 -0.770 10.671 0.820 1.00 0.00 C +ATOM 296 O SER A 20 -2.016 10.756 0.905 1.00 0.00 O +ATOM 297 CB SER A 20 0.919 9.961 2.597 1.00 0.00 C +ATOM 298 OG SER A 20 0.248 10.488 3.720 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.011 11.405 0.152 1.00 0.00 O +ATOM 300 H SER A 20 1.013 8.983 -0.129 1.00 0.00 H +ATOM 301 HA SER A 20 -0.928 9.009 2.110 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.519 9.122 2.895 1.00 0.00 H +ATOM 303 HB3 SER A 20 1.582 10.712 2.159 1.00 0.00 H +ATOM 304 HG SER A 20 -0.420 11.104 3.405 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 29 +ATOM 1 N ASN A 1 -8.605 5.735 -1.508 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.571 6.051 -0.495 1.00 0.00 C +ATOM 3 C ASN A 1 -6.164 5.538 -0.832 1.00 0.00 C +ATOM 4 O ASN A 1 -5.240 5.940 -0.139 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.006 5.614 0.920 1.00 0.00 C +ATOM 6 CG ASN A 1 -8.446 6.833 1.721 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -7.636 7.667 2.079 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -9.727 7.012 1.978 1.00 0.00 N +ATOM 9 H1 ASN A 1 -8.317 6.060 -2.422 1.00 0.00 H +ATOM 10 H2 ASN A 1 -8.771 4.738 -1.536 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.471 6.197 -1.263 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.456 7.138 -0.461 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.823 4.923 0.844 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -7.168 5.160 1.453 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -10.461 6.361 1.754 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -9.905 7.847 2.515 1.00 0.00 H +ATOM 17 N LEU A 2 -5.966 4.679 -1.852 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.666 4.117 -2.283 1.00 0.00 C +ATOM 19 C LEU A 2 -4.002 3.168 -1.262 1.00 0.00 C +ATOM 20 O LEU A 2 -3.524 2.099 -1.642 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.717 5.253 -2.748 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.317 5.246 -4.235 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -2.553 3.980 -4.653 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -4.536 5.478 -5.132 1.00 0.00 C +ATOM 25 H LEU A 2 -6.737 4.358 -2.414 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.871 3.489 -3.150 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.203 6.188 -2.545 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.806 5.212 -2.162 1.00 0.00 H +ATOM 29 HG LEU A 2 -2.646 6.094 -4.387 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -1.523 4.249 -4.893 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.534 3.243 -3.853 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.005 3.530 -5.537 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -5.218 4.631 -5.088 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.054 6.385 -4.819 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.203 5.612 -6.162 1.00 0.00 H +ATOM 36 N TYR A 3 -4.025 3.502 0.030 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.458 2.724 1.133 1.00 0.00 C +ATOM 38 C TYR A 3 -3.964 1.270 1.170 1.00 0.00 C +ATOM 39 O TYR A 3 -3.186 0.358 1.441 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.738 3.456 2.457 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.570 3.419 3.420 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.245 2.219 4.078 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.797 4.577 3.646 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.149 2.170 4.960 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.713 4.539 4.544 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.388 3.333 5.204 1.00 0.00 C +ATOM 47 OH TYR A 3 0.627 3.280 6.107 1.00 0.00 O +ATOM 48 H TYR A 3 -4.367 4.438 0.237 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.377 2.691 0.989 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.966 4.481 2.238 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.614 3.021 2.941 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -2.836 1.333 3.908 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.032 5.503 3.135 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -0.891 1.259 5.474 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.128 5.433 4.713 1.00 0.00 H +ATOM 56 HH TYR A 3 0.617 4.042 6.689 1.00 0.00 H +ATOM 57 N ILE A 4 -5.244 1.037 0.838 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.834 -0.306 0.713 1.00 0.00 C +ATOM 59 C ILE A 4 -5.105 -1.123 -0.367 1.00 0.00 C +ATOM 60 O ILE A 4 -4.724 -2.268 -0.130 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.352 -0.235 0.407 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.137 0.689 1.373 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.972 -1.643 0.457 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.547 2.007 0.707 1.00 0.00 C +ATOM 65 H ILE A 4 -5.819 1.844 0.651 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.700 -0.825 1.663 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.482 0.137 -0.611 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.022 0.177 1.699 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.548 0.901 2.265 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.504 -2.298 -0.279 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.845 -2.074 1.451 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.037 -1.590 0.226 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.664 2.587 0.439 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.134 1.802 -0.191 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.164 2.579 1.400 1.00 0.00 H +ATOM 76 N GLN A 5 -4.897 -0.530 -1.550 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.198 -1.155 -2.673 1.00 0.00 C +ATOM 78 C GLN A 5 -2.723 -1.419 -2.333 1.00 0.00 C +ATOM 79 O GLN A 5 -2.200 -2.473 -2.684 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.336 -0.262 -3.917 1.00 0.00 C +ATOM 81 CG GLN A 5 -3.914 -0.964 -5.221 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.086 -1.137 -6.184 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.679 -0.180 -6.653 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -5.471 -2.356 -6.511 1.00 0.00 N +ATOM 85 H GLN A 5 -5.132 0.448 -1.635 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.672 -2.115 -2.879 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.362 0.038 -4.009 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.724 0.632 -3.790 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -3.155 -0.376 -5.701 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -3.469 -1.937 -5.010 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.984 -3.177 -6.199 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -6.221 -2.372 -7.181 1.00 0.00 H +ATOM 93 N TRP A 6 -2.071 -0.497 -1.615 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.715 -0.699 -1.098 1.00 0.00 C +ATOM 95 C TRP A 6 -0.639 -1.865 -0.097 1.00 0.00 C +ATOM 96 O TRP A 6 0.196 -2.757 -0.250 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.203 0.608 -0.484 1.00 0.00 C +ATOM 98 CG TRP A 6 1.201 0.530 0.024 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.311 0.523 -0.750 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.672 0.404 1.403 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.428 0.392 0.050 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.094 0.319 1.381 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.048 0.358 2.668 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.864 0.210 2.546 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.810 0.242 3.848 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.214 0.174 3.791 1.00 0.00 C +ATOM 107 H TRP A 6 -2.559 0.372 -1.412 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.064 -0.958 -1.933 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.249 1.374 -1.234 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.852 0.901 0.340 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.315 0.589 -1.829 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.395 0.361 -0.282 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.028 0.427 2.725 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.940 0.156 2.473 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.316 0.221 4.810 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.792 0.099 4.701 1.00 0.00 H +ATOM 117 N LEU A 7 -1.536 -1.900 0.899 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.617 -3.007 1.855 1.00 0.00 C +ATOM 119 C LEU A 7 -1.901 -4.357 1.181 1.00 0.00 C +ATOM 120 O LEU A 7 -1.360 -5.362 1.635 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.675 -2.710 2.932 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.221 -1.687 3.991 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.385 -1.386 4.937 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.031 -2.194 4.815 1.00 0.00 C +ATOM 125 H LEU A 7 -2.191 -1.126 0.991 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.645 -3.114 2.334 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.552 -2.327 2.447 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.922 -3.640 3.447 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.930 -0.760 3.500 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.245 -1.036 4.365 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.661 -2.286 5.488 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.096 -0.608 5.644 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.172 -3.243 5.075 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.114 -2.086 4.240 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.929 -1.613 5.731 1.00 0.00 H +ATOM 136 N LYS A 8 -2.692 -4.379 0.094 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.020 -5.583 -0.687 1.00 0.00 C +ATOM 138 C LYS A 8 -1.785 -6.364 -1.155 1.00 0.00 C +ATOM 139 O LYS A 8 -1.838 -7.588 -1.203 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.879 -5.189 -1.903 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.659 -6.371 -2.495 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.247 -6.001 -3.867 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.373 -6.957 -4.272 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.632 -6.645 -3.554 1.00 0.00 N +ATOM 145 H LYS A 8 -3.148 -3.504 -0.155 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.595 -6.254 -0.047 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.579 -4.436 -1.597 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.229 -4.772 -2.673 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -3.997 -7.208 -2.609 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.454 -6.641 -1.801 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.637 -5.002 -3.821 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -4.447 -6.061 -4.607 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.542 -6.870 -5.328 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.057 -7.983 -4.060 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -7.483 -6.699 -2.554 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.939 -5.708 -3.782 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -8.360 -7.298 -3.811 1.00 0.00 H +ATOM 158 N ASP A 9 -0.706 -5.663 -1.517 1.00 0.00 N +ATOM 159 CA ASP A 9 0.544 -6.266 -1.987 1.00 0.00 C +ATOM 160 C ASP A 9 1.293 -6.977 -0.843 1.00 0.00 C +ATOM 161 O ASP A 9 1.650 -8.148 -0.961 1.00 0.00 O +ATOM 162 CB ASP A 9 1.392 -5.171 -2.653 1.00 0.00 C +ATOM 163 CG ASP A 9 2.434 -5.757 -3.608 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.525 -6.132 -3.128 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.117 -5.814 -4.817 1.00 0.00 O +ATOM 166 H ASP A 9 -0.755 -4.653 -1.452 1.00 0.00 H +ATOM 167 HA ASP A 9 0.304 -7.017 -2.743 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.744 -4.518 -3.205 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.878 -4.560 -1.892 1.00 0.00 H +ATOM 170 N GLY A 10 1.469 -6.281 0.289 1.00 0.00 N +ATOM 171 CA GLY A 10 2.142 -6.803 1.484 1.00 0.00 C +ATOM 172 C GLY A 10 2.644 -5.740 2.469 1.00 0.00 C +ATOM 173 O GLY A 10 3.613 -5.985 3.194 1.00 0.00 O +ATOM 174 H GLY A 10 1.155 -5.323 0.250 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.445 -7.452 2.016 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.995 -7.408 1.175 1.00 0.00 H +ATOM 177 N GLY A 11 2.028 -4.548 2.496 1.00 0.00 N +ATOM 178 CA GLY A 11 2.465 -3.422 3.328 1.00 0.00 C +ATOM 179 C GLY A 11 3.961 -3.104 3.147 1.00 0.00 C +ATOM 180 O GLY A 11 4.428 -3.060 2.005 1.00 0.00 O +ATOM 181 H GLY A 11 1.229 -4.418 1.894 1.00 0.00 H +ATOM 182 HA2 GLY A 11 1.897 -2.535 3.047 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.242 -3.663 4.366 1.00 0.00 H +ATOM 184 N PRO A 12 4.744 -2.895 4.229 1.00 0.00 N +ATOM 185 CA PRO A 12 6.184 -2.626 4.136 1.00 0.00 C +ATOM 186 C PRO A 12 6.990 -3.695 3.379 1.00 0.00 C +ATOM 187 O PRO A 12 8.035 -3.383 2.813 1.00 0.00 O +ATOM 188 CB PRO A 12 6.687 -2.517 5.581 1.00 0.00 C +ATOM 189 CG PRO A 12 5.435 -2.200 6.394 1.00 0.00 C +ATOM 190 CD PRO A 12 4.325 -2.910 5.621 1.00 0.00 C +ATOM 191 HA PRO A 12 6.325 -1.668 3.636 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.124 -3.443 5.902 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.439 -1.733 5.682 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.516 -2.586 7.392 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.256 -1.124 6.386 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.214 -3.919 5.968 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.379 -2.387 5.767 1.00 0.00 H +ATOM 198 N SER A 13 6.507 -4.946 3.334 1.00 0.00 N +ATOM 199 CA SER A 13 7.187 -6.064 2.673 1.00 0.00 C +ATOM 200 C SER A 13 7.029 -6.063 1.139 1.00 0.00 C +ATOM 201 O SER A 13 7.451 -7.024 0.494 1.00 0.00 O +ATOM 202 CB SER A 13 6.706 -7.387 3.280 1.00 0.00 C +ATOM 203 OG SER A 13 7.516 -8.439 2.801 1.00 0.00 O +ATOM 204 H SER A 13 5.587 -5.127 3.723 1.00 0.00 H +ATOM 205 HA SER A 13 8.254 -5.982 2.881 1.00 0.00 H +ATOM 206 HB2 SER A 13 6.777 -7.338 4.350 1.00 0.00 H +ATOM 207 HB3 SER A 13 5.667 -7.570 3.006 1.00 0.00 H +ATOM 208 HG SER A 13 7.599 -8.303 1.840 1.00 0.00 H +ATOM 209 N SER A 14 6.431 -5.007 0.568 1.00 0.00 N +ATOM 210 CA SER A 14 6.122 -4.843 -0.863 1.00 0.00 C +ATOM 211 C SER A 14 7.243 -4.167 -1.670 1.00 0.00 C +ATOM 212 O SER A 14 7.126 -4.014 -2.885 1.00 0.00 O +ATOM 213 CB SER A 14 4.869 -3.968 -1.035 1.00 0.00 C +ATOM 214 OG SER A 14 3.852 -4.282 -0.111 1.00 0.00 O +ATOM 215 H SER A 14 6.092 -4.293 1.198 1.00 0.00 H +ATOM 216 HA SER A 14 5.916 -5.820 -1.304 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.148 -2.940 -0.902 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.489 -4.086 -2.049 1.00 0.00 H +ATOM 219 HG SER A 14 4.047 -3.794 0.729 1.00 0.00 H +ATOM 220 N GLY A 15 8.295 -3.658 -1.015 1.00 0.00 N +ATOM 221 CA GLY A 15 9.401 -2.924 -1.649 1.00 0.00 C +ATOM 222 C GLY A 15 9.095 -1.469 -2.050 1.00 0.00 C +ATOM 223 O GLY A 15 10.027 -0.688 -2.223 1.00 0.00 O +ATOM 224 H GLY A 15 8.323 -3.798 -0.013 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.254 -2.914 -0.971 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.705 -3.456 -2.552 1.00 0.00 H +ATOM 227 N ARG A 16 7.815 -1.082 -2.167 1.00 0.00 N +ATOM 228 CA ARG A 16 7.364 0.285 -2.472 1.00 0.00 C +ATOM 229 C ARG A 16 6.898 1.010 -1.194 1.00 0.00 C +ATOM 230 O ARG A 16 6.164 0.402 -0.414 1.00 0.00 O +ATOM 231 CB ARG A 16 6.227 0.209 -3.508 1.00 0.00 C +ATOM 232 CG ARG A 16 5.864 1.592 -4.069 1.00 0.00 C +ATOM 233 CD ARG A 16 4.667 1.536 -5.024 1.00 0.00 C +ATOM 234 NE ARG A 16 4.606 2.733 -5.883 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.305 3.981 -5.540 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.982 4.326 -4.313 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.338 4.924 -6.455 1.00 0.00 N +ATOM 238 H ARG A 16 7.121 -1.806 -2.050 1.00 0.00 H +ATOM 239 HA ARG A 16 8.203 0.825 -2.912 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.538 -0.422 -4.318 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.345 -0.244 -3.049 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.623 2.244 -3.251 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.729 1.984 -4.604 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.756 0.665 -5.645 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.744 1.430 -4.452 1.00 0.00 H +ATOM 246 HE ARG A 16 4.837 2.583 -6.851 1.00 0.00 H +ATOM 247 HH11 ARG A 16 3.989 3.631 -3.582 1.00 0.00 H +ATOM 248 HH12 ARG A 16 3.762 5.278 -4.085 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.596 4.707 -7.402 1.00 0.00 H +ATOM 250 HH22 ARG A 16 4.116 5.872 -6.209 1.00 0.00 H +ATOM 251 N PRO A 17 7.232 2.303 -0.989 1.00 0.00 N +ATOM 252 CA PRO A 17 6.749 3.076 0.161 1.00 0.00 C +ATOM 253 C PRO A 17 5.224 3.306 0.130 1.00 0.00 C +ATOM 254 O PRO A 17 4.612 3.230 -0.945 1.00 0.00 O +ATOM 255 CB PRO A 17 7.515 4.405 0.107 1.00 0.00 C +ATOM 256 CG PRO A 17 7.835 4.571 -1.375 1.00 0.00 C +ATOM 257 CD PRO A 17 8.095 3.134 -1.819 1.00 0.00 C +ATOM 258 HA PRO A 17 7.009 2.547 1.078 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.905 5.214 0.461 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.445 4.313 0.672 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.005 4.997 -1.906 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.703 5.210 -1.537 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.847 3.012 -2.856 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.137 2.873 -1.630 1.00 0.00 H +ATOM 265 N PRO A 18 4.607 3.621 1.290 1.00 0.00 N +ATOM 266 CA PRO A 18 3.173 3.861 1.391 1.00 0.00 C +ATOM 267 C PRO A 18 2.768 5.155 0.668 1.00 0.00 C +ATOM 268 O PRO A 18 3.536 6.122 0.654 1.00 0.00 O +ATOM 269 CB PRO A 18 2.862 3.940 2.889 1.00 0.00 C +ATOM 270 CG PRO A 18 4.175 4.424 3.496 1.00 0.00 C +ATOM 271 CD PRO A 18 5.230 3.775 2.601 1.00 0.00 C +ATOM 272 HA PRO A 18 2.647 3.013 0.960 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.070 4.638 3.081 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.631 2.946 3.269 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.245 5.494 3.460 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.280 4.116 4.536 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.097 4.404 2.530 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.490 2.793 2.996 1.00 0.00 H +ATOM 279 N PRO A 19 1.558 5.206 0.088 1.00 0.00 N +ATOM 280 CA PRO A 19 1.036 6.414 -0.536 1.00 0.00 C +ATOM 281 C PRO A 19 0.580 7.431 0.525 1.00 0.00 C +ATOM 282 O PRO A 19 0.139 7.063 1.615 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.114 5.918 -1.419 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.641 4.693 -0.668 1.00 0.00 C +ATOM 285 CD PRO A 19 0.599 4.117 0.004 1.00 0.00 C +ATOM 286 HA PRO A 19 1.800 6.874 -1.164 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.876 6.667 -1.512 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.288 5.602 -2.384 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.374 4.978 0.062 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.084 3.963 -1.347 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.357 3.758 0.986 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.015 3.321 -0.613 1.00 0.00 H +ATOM 293 N SER A 20 0.671 8.718 0.173 1.00 0.00 N +ATOM 294 CA SER A 20 0.166 9.881 0.915 1.00 0.00 C +ATOM 295 C SER A 20 -0.789 10.667 0.023 1.00 0.00 C +ATOM 296 O SER A 20 -1.886 10.995 0.519 1.00 0.00 O +ATOM 297 CB SER A 20 1.319 10.782 1.355 1.00 0.00 C +ATOM 298 OG SER A 20 2.016 10.129 2.391 1.00 0.00 O +ATOM 299 OXT SER A 20 -0.396 10.900 -1.142 1.00 0.00 O +ATOM 300 H SER A 20 0.997 8.943 -0.756 1.00 0.00 H +ATOM 301 HA SER A 20 -0.403 9.569 1.792 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.979 10.958 0.527 1.00 0.00 H +ATOM 303 HB3 SER A 20 0.933 11.738 1.713 1.00 0.00 H +ATOM 304 HG SER A 20 1.901 9.185 2.245 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 30 +ATOM 1 N ASN A 1 -6.460 7.364 0.613 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.483 6.556 -0.103 1.00 0.00 C +ATOM 3 C ASN A 1 -6.889 5.287 -0.732 1.00 0.00 C +ATOM 4 O ASN A 1 -7.475 4.227 -0.571 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.236 7.406 -1.144 1.00 0.00 C +ATOM 6 CG ASN A 1 -7.303 7.780 -2.289 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -6.233 8.314 -2.043 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -7.597 7.393 -3.514 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.878 6.774 1.192 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.887 7.854 -0.067 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.912 8.053 1.197 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.216 6.208 0.628 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -9.064 6.843 -1.530 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.607 8.320 -0.677 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -8.429 6.875 -3.745 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -6.919 7.643 -4.219 1.00 0.00 H +ATOM 17 N LEU A 2 -5.741 5.358 -1.420 1.00 0.00 N +ATOM 18 CA LEU A 2 -5.100 4.220 -2.108 1.00 0.00 C +ATOM 19 C LEU A 2 -4.341 3.246 -1.180 1.00 0.00 C +ATOM 20 O LEU A 2 -3.776 2.254 -1.644 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.211 4.795 -3.233 1.00 0.00 C +ATOM 22 CG LEU A 2 -5.026 4.979 -4.531 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.502 6.140 -5.376 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -5.004 3.695 -5.367 1.00 0.00 C +ATOM 25 H LEU A 2 -5.329 6.267 -1.601 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.882 3.615 -2.569 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.822 5.746 -2.923 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.367 4.131 -3.434 1.00 0.00 H +ATOM 29 HG LEU A 2 -6.062 5.205 -4.277 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.492 7.057 -4.785 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.492 5.927 -5.725 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -5.154 6.287 -6.238 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -3.983 3.466 -5.675 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.397 2.860 -4.791 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -5.619 3.822 -6.259 1.00 0.00 H +ATOM 36 N TYR A 3 -4.369 3.488 0.136 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.657 2.701 1.145 1.00 0.00 C +ATOM 38 C TYR A 3 -4.098 1.228 1.178 1.00 0.00 C +ATOM 39 O TYR A 3 -3.268 0.347 1.389 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.837 3.357 2.523 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.642 3.161 3.434 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.458 1.945 4.120 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.695 4.196 3.573 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.331 1.761 4.945 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.570 4.016 4.396 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.383 2.798 5.082 1.00 0.00 C +ATOM 47 OH TYR A 3 0.699 2.647 5.890 1.00 0.00 O +ATOM 48 H TYR A 3 -4.905 4.281 0.443 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.597 2.723 0.895 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.991 4.410 2.383 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.732 2.959 3.008 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.179 1.149 4.003 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.824 5.137 3.055 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.180 0.826 5.463 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.151 4.808 4.521 1.00 0.00 H +ATOM 56 HH TYR A 3 0.441 2.460 6.795 1.00 0.00 H +ATOM 57 N ILE A 4 -5.388 0.955 0.919 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.920 -0.410 0.824 1.00 0.00 C +ATOM 59 C ILE A 4 -5.170 -1.190 -0.266 1.00 0.00 C +ATOM 60 O ILE A 4 -4.654 -2.276 -0.009 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.449 -0.413 0.570 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.252 0.393 1.623 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.973 -1.860 0.555 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.642 1.792 1.136 1.00 0.00 C +ATOM 65 H ILE A 4 -6.009 1.734 0.758 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.730 -0.915 1.773 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.642 0.008 -0.418 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.148 -0.149 1.858 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.684 0.477 2.549 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.552 -2.404 -0.285 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.704 -2.366 1.485 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.059 -1.868 0.448 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.779 2.452 1.188 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.018 1.751 0.113 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.431 2.192 1.775 1.00 0.00 H +ATOM 76 N GLN A 5 -5.097 -0.628 -1.481 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.416 -1.240 -2.624 1.00 0.00 C +ATOM 78 C GLN A 5 -2.926 -1.482 -2.349 1.00 0.00 C +ATOM 79 O GLN A 5 -2.406 -2.535 -2.707 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.601 -0.369 -3.878 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.909 -1.238 -5.106 1.00 0.00 C +ATOM 82 CD GLN A 5 -4.680 -0.468 -6.398 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.535 0.265 -6.866 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -3.518 -0.604 -7.008 1.00 0.00 N +ATOM 85 H GLN A 5 -5.464 0.307 -1.591 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.871 -2.214 -2.798 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.414 0.312 -3.716 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.691 0.207 -4.059 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -4.269 -2.099 -5.094 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.953 -1.554 -5.065 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -2.791 -1.203 -6.654 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -3.429 -0.080 -7.861 1.00 0.00 H +ATOM 93 N TRP A 6 -2.259 -0.532 -1.681 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.876 -0.690 -1.231 1.00 0.00 C +ATOM 95 C TRP A 6 -0.716 -1.832 -0.211 1.00 0.00 C +ATOM 96 O TRP A 6 0.176 -2.668 -0.361 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.374 0.647 -0.679 1.00 0.00 C +ATOM 98 CG TRP A 6 1.038 0.612 -0.187 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.141 0.697 -0.963 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.520 0.464 1.184 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.265 0.595 -0.168 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.944 0.448 1.159 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.902 0.355 2.448 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.724 0.344 2.317 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.675 0.244 3.623 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.080 0.249 3.561 1.00 0.00 C +ATOM 107 H TRP A 6 -2.752 0.326 -1.458 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.260 -0.952 -2.093 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.441 1.380 -1.459 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -1.015 0.962 0.144 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.138 0.826 -2.038 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.223 0.685 -0.491 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.175 0.378 2.506 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.802 0.341 2.239 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.187 0.174 4.582 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.663 0.185 4.467 1.00 0.00 H +ATOM 117 N LEU A 7 -1.599 -1.914 0.796 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.593 -3.012 1.768 1.00 0.00 C +ATOM 119 C LEU A 7 -1.846 -4.384 1.129 1.00 0.00 C +ATOM 120 O LEU A 7 -1.193 -5.345 1.538 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.602 -2.751 2.902 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.105 -1.780 3.989 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.232 -1.537 4.996 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.894 -2.319 4.764 1.00 0.00 C +ATOM 125 H LEU A 7 -2.301 -1.181 0.888 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.591 -3.074 2.189 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.494 -2.341 2.469 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.838 -3.699 3.387 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.835 -0.833 3.527 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.108 -1.139 4.483 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.500 -2.472 5.489 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.913 -0.822 5.752 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.122 -3.301 5.179 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.027 -2.398 4.112 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.639 -1.639 5.576 1.00 0.00 H +ATOM 136 N LYS A 8 -2.722 -4.491 0.113 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.959 -5.749 -0.626 1.00 0.00 C +ATOM 138 C LYS A 8 -1.683 -6.372 -1.201 1.00 0.00 C +ATOM 139 O LYS A 8 -1.595 -7.593 -1.269 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.007 -5.555 -1.743 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.443 -5.846 -1.265 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.440 -4.718 -1.552 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.997 -4.739 -2.978 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.865 -3.560 -3.222 1.00 0.00 N +ATOM 145 H LYS A 8 -3.252 -3.655 -0.124 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.328 -6.495 0.081 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.958 -4.540 -2.087 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.787 -6.243 -2.562 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.788 -6.734 -1.758 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.439 -6.011 -0.187 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -7.260 -4.808 -0.866 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.951 -3.767 -1.378 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -6.181 -4.725 -3.675 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.572 -5.660 -3.111 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -8.644 -3.562 -2.574 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.341 -2.706 -3.093 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -8.232 -3.580 -4.164 1.00 0.00 H +ATOM 158 N ASP A 9 -0.696 -5.556 -1.580 1.00 0.00 N +ATOM 159 CA ASP A 9 0.598 -6.026 -2.075 1.00 0.00 C +ATOM 160 C ASP A 9 1.519 -6.577 -0.966 1.00 0.00 C +ATOM 161 O ASP A 9 2.545 -7.185 -1.279 1.00 0.00 O +ATOM 162 CB ASP A 9 1.286 -4.862 -2.807 1.00 0.00 C +ATOM 163 CG ASP A 9 2.136 -5.346 -3.982 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.579 -5.513 -5.084 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.373 -5.444 -3.814 1.00 0.00 O +ATOM 166 H ASP A 9 -0.850 -4.558 -1.514 1.00 0.00 H +ATOM 167 HA ASP A 9 0.421 -6.829 -2.794 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.534 -4.192 -3.177 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.907 -4.305 -2.103 1.00 0.00 H +ATOM 170 N GLY A 10 1.200 -6.338 0.319 1.00 0.00 N +ATOM 171 CA GLY A 10 1.994 -6.734 1.492 1.00 0.00 C +ATOM 172 C GLY A 10 2.551 -5.569 2.334 1.00 0.00 C +ATOM 173 O GLY A 10 3.261 -5.808 3.315 1.00 0.00 O +ATOM 174 H GLY A 10 0.312 -5.879 0.502 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.360 -7.337 2.142 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.835 -7.356 1.186 1.00 0.00 H +ATOM 177 N GLY A 11 2.238 -4.314 1.983 1.00 0.00 N +ATOM 178 CA GLY A 11 2.630 -3.135 2.756 1.00 0.00 C +ATOM 179 C GLY A 11 4.156 -2.921 2.790 1.00 0.00 C +ATOM 180 O GLY A 11 4.786 -2.907 1.729 1.00 0.00 O +ATOM 181 H GLY A 11 1.725 -4.177 1.122 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.172 -2.252 2.310 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.237 -3.250 3.763 1.00 0.00 H +ATOM 184 N PRO A 12 4.785 -2.743 3.974 1.00 0.00 N +ATOM 185 CA PRO A 12 6.237 -2.551 4.077 1.00 0.00 C +ATOM 186 C PRO A 12 7.066 -3.702 3.485 1.00 0.00 C +ATOM 187 O PRO A 12 8.207 -3.486 3.077 1.00 0.00 O +ATOM 188 CB PRO A 12 6.543 -2.392 5.572 1.00 0.00 C +ATOM 189 CG PRO A 12 5.203 -2.021 6.203 1.00 0.00 C +ATOM 190 CD PRO A 12 4.182 -2.709 5.300 1.00 0.00 C +ATOM 191 HA PRO A 12 6.501 -1.628 3.560 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.913 -3.312 5.983 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.291 -1.616 5.745 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.137 -2.391 7.208 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.065 -0.941 6.157 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.987 -3.705 5.648 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.247 -2.149 5.311 1.00 0.00 H +ATOM 198 N SER A 13 6.502 -4.917 3.405 1.00 0.00 N +ATOM 199 CA SER A 13 7.196 -6.128 2.940 1.00 0.00 C +ATOM 200 C SER A 13 7.128 -6.326 1.416 1.00 0.00 C +ATOM 201 O SER A 13 7.334 -7.437 0.931 1.00 0.00 O +ATOM 202 CB SER A 13 6.674 -7.367 3.682 1.00 0.00 C +ATOM 203 OG SER A 13 6.833 -7.217 5.081 1.00 0.00 O +ATOM 204 H SER A 13 5.524 -4.999 3.654 1.00 0.00 H +ATOM 205 HA SER A 13 8.254 -6.034 3.186 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.633 -7.499 3.458 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.251 -8.238 3.368 1.00 0.00 H +ATOM 208 HG SER A 13 6.115 -6.675 5.416 1.00 0.00 H +ATOM 209 N SER A 14 6.854 -5.257 0.662 1.00 0.00 N +ATOM 210 CA SER A 14 6.584 -5.293 -0.785 1.00 0.00 C +ATOM 211 C SER A 14 7.566 -4.459 -1.616 1.00 0.00 C +ATOM 212 O SER A 14 7.367 -4.289 -2.817 1.00 0.00 O +ATOM 213 CB SER A 14 5.146 -4.838 -1.031 1.00 0.00 C +ATOM 214 OG SER A 14 4.277 -5.620 -0.252 1.00 0.00 O +ATOM 215 H SER A 14 6.601 -4.410 1.157 1.00 0.00 H +ATOM 216 HA SER A 14 6.658 -6.321 -1.144 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.044 -3.806 -0.757 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.908 -4.937 -2.086 1.00 0.00 H +ATOM 219 HG SER A 14 3.762 -6.253 -0.814 1.00 0.00 H +ATOM 220 N GLY A 15 8.616 -3.911 -0.986 1.00 0.00 N +ATOM 221 CA GLY A 15 9.650 -3.115 -1.655 1.00 0.00 C +ATOM 222 C GLY A 15 9.148 -1.778 -2.215 1.00 0.00 C +ATOM 223 O GLY A 15 9.705 -1.282 -3.192 1.00 0.00 O +ATOM 224 H GLY A 15 8.720 -4.130 -0.003 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.451 -2.904 -0.947 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.069 -3.693 -2.479 1.00 0.00 H +ATOM 227 N ARG A 16 8.090 -1.203 -1.622 1.00 0.00 N +ATOM 228 CA ARG A 16 7.417 0.014 -2.096 1.00 0.00 C +ATOM 229 C ARG A 16 6.924 0.888 -0.926 1.00 0.00 C +ATOM 230 O ARG A 16 6.280 0.358 -0.018 1.00 0.00 O +ATOM 231 CB ARG A 16 6.269 -0.371 -3.052 1.00 0.00 C +ATOM 232 CG ARG A 16 5.250 -1.359 -2.458 1.00 0.00 C +ATOM 233 CD ARG A 16 4.104 -1.695 -3.419 1.00 0.00 C +ATOM 234 NE ARG A 16 4.341 -2.957 -4.134 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.904 -3.201 -5.305 1.00 0.00 C +ATOM 236 NH1 ARG A 16 5.427 -2.257 -6.053 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.910 -4.436 -5.734 1.00 0.00 N +ATOM 238 H ARG A 16 7.706 -1.667 -0.809 1.00 0.00 H +ATOM 239 HA ARG A 16 8.145 0.582 -2.674 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.747 0.525 -3.327 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.708 -0.821 -3.943 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.762 -2.268 -2.207 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.813 -0.934 -1.563 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.194 -1.780 -2.857 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.933 -0.873 -4.115 1.00 0.00 H +ATOM 246 HE ARG A 16 3.985 -3.821 -3.714 1.00 0.00 H +ATOM 247 HH11 ARG A 16 5.402 -1.317 -5.706 1.00 0.00 H +ATOM 248 HH12 ARG A 16 5.836 -2.486 -6.938 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.381 -5.092 -5.130 1.00 0.00 H +ATOM 250 HH22 ARG A 16 5.299 -4.728 -6.606 1.00 0.00 H +ATOM 251 N PRO A 17 7.173 2.212 -0.928 1.00 0.00 N +ATOM 252 CA PRO A 17 6.709 3.107 0.135 1.00 0.00 C +ATOM 253 C PRO A 17 5.179 3.304 0.093 1.00 0.00 C +ATOM 254 O PRO A 17 4.572 3.105 -0.963 1.00 0.00 O +ATOM 255 CB PRO A 17 7.453 4.424 -0.105 1.00 0.00 C +ATOM 256 CG PRO A 17 7.690 4.435 -1.615 1.00 0.00 C +ATOM 257 CD PRO A 17 7.884 2.960 -1.955 1.00 0.00 C +ATOM 258 HA PRO A 17 6.996 2.696 1.103 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.854 5.262 0.195 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.414 4.395 0.413 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.842 4.840 -2.134 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.568 5.026 -1.881 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.475 2.744 -2.923 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.945 2.707 -1.917 1.00 0.00 H +ATOM 265 N PRO A 18 4.547 3.703 1.215 1.00 0.00 N +ATOM 266 CA PRO A 18 3.107 3.958 1.273 1.00 0.00 C +ATOM 267 C PRO A 18 2.718 5.246 0.522 1.00 0.00 C +ATOM 268 O PRO A 18 3.537 6.161 0.405 1.00 0.00 O +ATOM 269 CB PRO A 18 2.775 4.060 2.766 1.00 0.00 C +ATOM 270 CG PRO A 18 4.078 4.556 3.393 1.00 0.00 C +ATOM 271 CD PRO A 18 5.157 3.921 2.519 1.00 0.00 C +ATOM 272 HA PRO A 18 2.574 3.114 0.842 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.979 4.759 2.934 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.537 3.072 3.156 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.137 5.627 3.359 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.168 4.245 4.434 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.999 4.580 2.430 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.454 2.961 2.942 1.00 0.00 H +ATOM 279 N PRO A 19 1.462 5.356 0.042 1.00 0.00 N +ATOM 280 CA PRO A 19 0.965 6.565 -0.607 1.00 0.00 C +ATOM 281 C PRO A 19 0.679 7.670 0.424 1.00 0.00 C +ATOM 282 O PRO A 19 0.133 7.394 1.493 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.307 6.120 -1.337 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.842 4.980 -0.470 1.00 0.00 C +ATOM 285 CD PRO A 19 0.425 4.333 0.092 1.00 0.00 C +ATOM 286 HA PRO A 19 1.694 6.927 -1.334 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.016 6.923 -1.394 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.038 5.730 -2.321 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.462 5.358 0.320 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.427 4.271 -1.057 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.263 4.017 1.104 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.718 3.493 -0.537 1.00 0.00 H +ATOM 293 N SER A 20 1.033 8.915 0.077 1.00 0.00 N +ATOM 294 CA SER A 20 0.705 10.139 0.828 1.00 0.00 C +ATOM 295 C SER A 20 -0.786 10.478 0.742 1.00 0.00 C +ATOM 296 O SER A 20 -1.375 10.693 1.822 1.00 0.00 O +ATOM 297 CB SER A 20 1.520 11.322 0.296 1.00 0.00 C +ATOM 298 OG SER A 20 2.902 11.054 0.415 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.297 10.548 -0.398 1.00 0.00 O +ATOM 300 H SER A 20 1.493 9.051 -0.810 1.00 0.00 H +ATOM 301 HA SER A 20 0.929 9.985 1.882 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.278 11.484 -0.737 1.00 0.00 H +ATOM 303 HB3 SER A 20 1.270 12.218 0.868 1.00 0.00 H +ATOM 304 HG SER A 20 3.079 10.774 1.317 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 31 +ATOM 1 N ASN A 1 -5.909 7.522 0.267 1.00 0.00 N +ATOM 2 CA ASN A 1 -6.878 6.859 -0.640 1.00 0.00 C +ATOM 3 C ASN A 1 -6.387 5.474 -1.074 1.00 0.00 C +ATOM 4 O ASN A 1 -7.073 4.506 -0.795 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.238 7.752 -1.848 1.00 0.00 C +ATOM 6 CG ASN A 1 -6.030 7.972 -2.754 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -4.939 8.212 -2.259 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -6.143 7.768 -4.052 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.599 6.883 0.986 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.112 7.842 -0.277 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.337 8.328 0.703 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.798 6.680 -0.079 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.017 7.278 -2.413 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -7.592 8.722 -1.493 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -7.007 7.508 -4.498 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -5.297 7.914 -4.581 1.00 0.00 H +ATOM 17 N LEU A 2 -5.214 5.357 -1.714 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.723 4.133 -2.374 1.00 0.00 C +ATOM 19 C LEU A 2 -4.072 3.112 -1.410 1.00 0.00 C +ATOM 20 O LEU A 2 -3.514 2.099 -1.824 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.784 4.570 -3.527 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.051 3.825 -4.857 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.094 4.806 -6.033 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.990 2.766 -5.156 1.00 0.00 C +ATOM 25 H LEU A 2 -4.694 6.204 -1.928 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.592 3.628 -2.801 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.918 5.621 -3.694 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.742 4.452 -3.229 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.023 3.338 -4.815 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.920 5.505 -5.900 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.158 5.361 -6.096 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.250 4.259 -6.963 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -2.068 3.238 -5.500 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -2.771 2.189 -4.262 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -3.360 2.093 -5.930 1.00 0.00 H +ATOM 36 N TYR A 3 -4.158 3.379 -0.100 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.550 2.591 0.970 1.00 0.00 C +ATOM 38 C TYR A 3 -4.064 1.142 1.019 1.00 0.00 C +ATOM 39 O TYR A 3 -3.312 0.246 1.398 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.780 3.308 2.312 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.551 3.326 3.197 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.261 2.225 4.024 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.687 4.439 3.181 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.106 2.230 4.829 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.529 4.448 3.976 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.232 3.340 4.800 1.00 0.00 C +ATOM 47 OH TYR A 3 0.880 3.349 5.583 1.00 0.00 O +ATOM 48 H TYR A 3 -4.674 4.203 0.150 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.477 2.550 0.784 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.071 4.321 2.112 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.604 2.835 2.848 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -2.925 1.374 4.033 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.899 5.294 2.555 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -0.876 1.391 5.467 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.134 5.301 3.953 1.00 0.00 H +ATOM 56 HH TYR A 3 0.691 3.713 6.450 1.00 0.00 H +ATOM 57 N ILE A 4 -5.318 0.899 0.604 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.916 -0.442 0.543 1.00 0.00 C +ATOM 59 C ILE A 4 -5.144 -1.321 -0.447 1.00 0.00 C +ATOM 60 O ILE A 4 -4.704 -2.405 -0.072 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.426 -0.393 0.201 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.210 0.560 1.137 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.041 -1.802 0.286 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.670 1.817 0.395 1.00 0.00 C +ATOM 65 H ILE A 4 -5.870 1.690 0.302 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.811 -0.900 1.529 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.537 -0.053 -0.832 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.071 0.045 1.518 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.591 0.854 1.986 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.564 -2.474 -0.427 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.920 -2.203 1.294 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.103 -1.755 0.046 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.834 2.238 -0.159 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.467 1.560 -0.304 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.041 2.553 1.108 1.00 0.00 H +ATOM 76 N GLN A 5 -4.941 -0.843 -1.684 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.117 -1.514 -2.693 1.00 0.00 C +ATOM 78 C GLN A 5 -2.686 -1.746 -2.187 1.00 0.00 C +ATOM 79 O GLN A 5 -2.209 -2.879 -2.229 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.134 -0.708 -4.002 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.442 -0.901 -4.795 1.00 0.00 C +ATOM 82 CD GLN A 5 -6.166 0.412 -5.082 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -6.464 1.188 -4.184 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.497 0.688 -6.330 1.00 0.00 N +ATOM 85 H GLN A 5 -5.307 0.072 -1.913 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.539 -2.498 -2.896 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.024 0.333 -3.767 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.302 -1.031 -4.631 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.209 -1.374 -5.729 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.129 -1.543 -4.244 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -6.283 0.067 -7.093 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -7.002 1.548 -6.458 1.00 0.00 H +ATOM 93 N TRP A 6 -2.034 -0.709 -1.645 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.678 -0.829 -1.093 1.00 0.00 C +ATOM 95 C TRP A 6 -0.567 -1.888 0.023 1.00 0.00 C +ATOM 96 O TRP A 6 0.376 -2.684 0.030 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.200 0.546 -0.612 1.00 0.00 C +ATOM 98 CG TRP A 6 1.200 0.544 -0.082 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.322 0.559 -0.836 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.651 0.467 1.306 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.427 0.481 -0.014 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.075 0.428 1.313 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.006 0.418 2.560 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.828 0.362 2.492 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.749 0.341 3.754 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.155 0.321 3.723 1.00 0.00 C +ATOM 107 H TRP A 6 -2.492 0.198 -1.645 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.016 -1.157 -1.898 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.249 1.230 -1.438 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.866 0.904 0.171 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.344 0.600 -1.918 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.399 0.465 -0.330 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.073 0.449 2.593 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.906 0.339 2.439 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.239 0.310 4.706 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.716 0.279 4.647 1.00 0.00 H +ATOM 117 N LEU A 7 -1.531 -1.946 0.950 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.587 -3.012 1.954 1.00 0.00 C +ATOM 119 C LEU A 7 -1.883 -4.387 1.338 1.00 0.00 C +ATOM 120 O LEU A 7 -1.259 -5.363 1.752 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.605 -2.670 3.056 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.118 -1.596 4.051 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.255 -1.244 5.014 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.920 -2.061 4.892 1.00 0.00 C +ATOM 125 H LEU A 7 -2.264 -1.238 0.941 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.599 -3.102 2.404 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.502 -2.314 2.587 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.828 -3.576 3.621 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.835 -0.698 3.507 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.107 -0.863 4.451 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.559 -2.129 5.572 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.924 -0.478 5.716 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.159 -2.994 5.401 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.046 -2.207 4.261 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.673 -1.303 5.635 1.00 0.00 H +ATOM 136 N LYS A 8 -2.772 -4.477 0.334 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.105 -5.716 -0.398 1.00 0.00 C +ATOM 138 C LYS A 8 -1.879 -6.425 -0.982 1.00 0.00 C +ATOM 139 O LYS A 8 -1.855 -7.653 -0.986 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.125 -5.413 -1.517 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.509 -6.032 -1.296 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.571 -7.539 -1.610 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.790 -7.876 -2.484 1.00 0.00 C +ATOM 144 NZ LYS A 8 -6.467 -7.814 -3.931 1.00 0.00 N +ATOM 145 H LYS A 8 -3.262 -3.623 0.071 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.545 -6.418 0.311 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.241 -4.349 -1.587 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.737 -5.743 -2.483 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.784 -5.888 -0.269 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -6.212 -5.498 -1.938 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -4.677 -7.825 -2.131 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.653 -8.084 -0.669 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.125 -8.867 -2.245 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.598 -7.177 -2.246 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -6.123 -6.897 -4.179 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -5.753 -8.496 -4.155 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -7.289 -8.017 -4.487 1.00 0.00 H +ATOM 158 N ASP A 9 -0.876 -5.673 -1.449 1.00 0.00 N +ATOM 159 CA ASP A 9 0.398 -6.223 -1.930 1.00 0.00 C +ATOM 160 C ASP A 9 1.311 -6.762 -0.805 1.00 0.00 C +ATOM 161 O ASP A 9 2.203 -7.564 -1.082 1.00 0.00 O +ATOM 162 CB ASP A 9 1.147 -5.144 -2.731 1.00 0.00 C +ATOM 163 CG ASP A 9 0.467 -4.801 -4.061 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.157 -5.754 -4.813 1.00 0.00 O +ATOM 165 OD2 ASP A 9 0.290 -3.591 -4.324 1.00 0.00 O +ATOM 166 H ASP A 9 -1.030 -4.670 -1.499 1.00 0.00 H +ATOM 167 HA ASP A 9 0.195 -7.060 -2.600 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.201 -4.253 -2.136 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.152 -5.505 -2.957 1.00 0.00 H +ATOM 170 N GLY A 10 1.096 -6.352 0.456 1.00 0.00 N +ATOM 171 CA GLY A 10 1.939 -6.705 1.606 1.00 0.00 C +ATOM 172 C GLY A 10 2.565 -5.512 2.347 1.00 0.00 C +ATOM 173 O GLY A 10 3.435 -5.730 3.206 1.00 0.00 O +ATOM 174 H GLY A 10 0.261 -5.800 0.631 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.326 -7.256 2.320 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.746 -7.365 1.289 1.00 0.00 H +ATOM 177 N GLY A 11 2.176 -4.272 2.029 1.00 0.00 N +ATOM 178 CA GLY A 11 2.626 -3.057 2.710 1.00 0.00 C +ATOM 179 C GLY A 11 4.158 -2.915 2.747 1.00 0.00 C +ATOM 180 O GLY A 11 4.789 -2.963 1.691 1.00 0.00 O +ATOM 181 H GLY A 11 1.547 -4.148 1.241 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.223 -2.195 2.180 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.209 -3.058 3.715 1.00 0.00 H +ATOM 184 N PRO A 12 4.800 -2.763 3.930 1.00 0.00 N +ATOM 185 CA PRO A 12 6.259 -2.630 4.030 1.00 0.00 C +ATOM 186 C PRO A 12 7.037 -3.777 3.366 1.00 0.00 C +ATOM 187 O PRO A 12 8.146 -3.571 2.879 1.00 0.00 O +ATOM 188 CB PRO A 12 6.578 -2.563 5.529 1.00 0.00 C +ATOM 189 CG PRO A 12 5.267 -2.123 6.174 1.00 0.00 C +ATOM 190 CD PRO A 12 4.203 -2.726 5.258 1.00 0.00 C +ATOM 191 HA PRO A 12 6.554 -1.691 3.560 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.879 -3.525 5.897 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.381 -1.855 5.734 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.180 -2.511 7.171 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.195 -1.035 6.150 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.949 -3.717 5.582 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.303 -2.112 5.287 1.00 0.00 H +ATOM 198 N SER A 13 6.444 -4.979 3.307 1.00 0.00 N +ATOM 199 CA SER A 13 7.043 -6.156 2.670 1.00 0.00 C +ATOM 200 C SER A 13 6.983 -6.137 1.130 1.00 0.00 C +ATOM 201 O SER A 13 7.548 -7.021 0.494 1.00 0.00 O +ATOM 202 CB SER A 13 6.428 -7.435 3.253 1.00 0.00 C +ATOM 203 OG SER A 13 5.089 -7.644 2.842 1.00 0.00 O +ATOM 204 H SER A 13 5.500 -5.052 3.666 1.00 0.00 H +ATOM 205 HA SER A 13 8.101 -6.173 2.933 1.00 0.00 H +ATOM 206 HB2 SER A 13 7.018 -8.273 2.935 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.467 -7.386 4.343 1.00 0.00 H +ATOM 208 HG SER A 13 4.507 -6.893 3.104 1.00 0.00 H +ATOM 209 N SER A 14 6.343 -5.125 0.518 1.00 0.00 N +ATOM 210 CA SER A 14 6.214 -4.963 -0.941 1.00 0.00 C +ATOM 211 C SER A 14 7.325 -4.127 -1.595 1.00 0.00 C +ATOM 212 O SER A 14 7.306 -3.936 -2.809 1.00 0.00 O +ATOM 213 CB SER A 14 4.882 -4.280 -1.265 1.00 0.00 C +ATOM 214 OG SER A 14 3.823 -4.982 -0.663 1.00 0.00 O +ATOM 215 H SER A 14 5.902 -4.413 1.097 1.00 0.00 H +ATOM 216 HA SER A 14 6.217 -5.946 -1.415 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.899 -3.274 -0.893 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.731 -4.256 -2.345 1.00 0.00 H +ATOM 219 HG SER A 14 4.199 -5.674 -0.113 1.00 0.00 H +ATOM 220 N GLY A 15 8.258 -3.554 -0.822 1.00 0.00 N +ATOM 221 CA GLY A 15 9.356 -2.717 -1.330 1.00 0.00 C +ATOM 222 C GLY A 15 8.956 -1.287 -1.733 1.00 0.00 C +ATOM 223 O GLY A 15 9.753 -0.366 -1.564 1.00 0.00 O +ATOM 224 H GLY A 15 8.204 -3.723 0.175 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.135 -2.654 -0.570 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.789 -3.199 -2.207 1.00 0.00 H +ATOM 227 N ARG A 16 7.740 -1.078 -2.255 1.00 0.00 N +ATOM 228 CA ARG A 16 7.196 0.244 -2.606 1.00 0.00 C +ATOM 229 C ARG A 16 6.800 1.026 -1.334 1.00 0.00 C +ATOM 230 O ARG A 16 6.153 0.438 -0.465 1.00 0.00 O +ATOM 231 CB ARG A 16 6.004 0.043 -3.562 1.00 0.00 C +ATOM 232 CG ARG A 16 5.598 1.337 -4.286 1.00 0.00 C +ATOM 233 CD ARG A 16 4.649 1.070 -5.464 1.00 0.00 C +ATOM 234 NE ARG A 16 5.376 0.549 -6.647 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.988 1.239 -7.584 1.00 0.00 C +ATOM 236 NH1 ARG A 16 6.011 2.568 -7.581 1.00 0.00 N +ATOM 237 NH2 ARG A 16 6.613 0.642 -8.574 1.00 0.00 N +ATOM 238 H ARG A 16 7.177 -1.909 -2.406 1.00 0.00 H +ATOM 239 HA ARG A 16 7.984 0.785 -3.128 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.273 -0.691 -4.297 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.146 -0.347 -3.007 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.106 1.985 -3.586 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.488 1.833 -4.670 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.914 0.349 -5.162 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.142 2.000 -5.728 1.00 0.00 H +ATOM 246 HE ARG A 16 5.404 -0.458 -6.736 1.00 0.00 H +ATOM 247 HH11 ARG A 16 5.535 3.037 -6.833 1.00 0.00 H +ATOM 248 HH12 ARG A 16 6.471 3.081 -8.301 1.00 0.00 H +ATOM 249 HH21 ARG A 16 6.628 -0.366 -8.623 1.00 0.00 H +ATOM 250 HH22 ARG A 16 7.076 1.176 -9.280 1.00 0.00 H +ATOM 251 N PRO A 17 7.126 2.330 -1.200 1.00 0.00 N +ATOM 252 CA PRO A 17 6.809 3.113 0.002 1.00 0.00 C +ATOM 253 C PRO A 17 5.294 3.369 0.169 1.00 0.00 C +ATOM 254 O PRO A 17 4.551 3.273 -0.812 1.00 0.00 O +ATOM 255 CB PRO A 17 7.588 4.425 -0.160 1.00 0.00 C +ATOM 256 CG PRO A 17 7.688 4.594 -1.672 1.00 0.00 C +ATOM 257 CD PRO A 17 7.850 3.156 -2.157 1.00 0.00 C +ATOM 258 HA PRO A 17 7.177 2.582 0.880 1.00 0.00 H +ATOM 259 HB2 PRO A 17 7.056 5.245 0.283 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.589 4.309 0.258 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.798 5.040 -2.072 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.535 5.216 -1.960 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.432 3.044 -3.139 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.905 2.879 -2.151 1.00 0.00 H +ATOM 265 N PRO A 18 4.828 3.720 1.386 1.00 0.00 N +ATOM 266 CA PRO A 18 3.415 3.979 1.661 1.00 0.00 C +ATOM 267 C PRO A 18 2.921 5.257 0.956 1.00 0.00 C +ATOM 268 O PRO A 18 3.633 6.262 0.960 1.00 0.00 O +ATOM 269 CB PRO A 18 3.307 4.111 3.185 1.00 0.00 C +ATOM 270 CG PRO A 18 4.701 4.568 3.609 1.00 0.00 C +ATOM 271 CD PRO A 18 5.614 3.867 2.605 1.00 0.00 C +ATOM 272 HA PRO A 18 2.830 3.121 1.340 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.567 4.840 3.454 1.00 0.00 H +ATOM 274 HB3 PRO A 18 3.099 3.135 3.621 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.796 5.634 3.537 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.929 4.279 4.636 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.488 4.461 2.417 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.884 2.880 2.982 1.00 0.00 H +ATOM 279 N PRO A 19 1.704 5.254 0.376 1.00 0.00 N +ATOM 280 CA PRO A 19 1.131 6.433 -0.268 1.00 0.00 C +ATOM 281 C PRO A 19 0.578 7.422 0.772 1.00 0.00 C +ATOM 282 O PRO A 19 -0.096 7.022 1.725 1.00 0.00 O +ATOM 283 CB PRO A 19 0.032 5.878 -1.180 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.464 4.639 -0.433 1.00 0.00 C +ATOM 285 CD PRO A 19 0.792 4.121 0.270 1.00 0.00 C +ATOM 286 HA PRO A 19 1.886 6.934 -0.875 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.759 6.592 -1.305 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.474 5.572 -2.129 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.223 4.899 0.279 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.879 3.897 -1.115 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.545 3.752 1.247 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.257 3.344 -0.337 1.00 0.00 H +ATOM 293 N SER A 20 0.825 8.716 0.549 1.00 0.00 N +ATOM 294 CA SER A 20 0.360 9.847 1.362 1.00 0.00 C +ATOM 295 C SER A 20 -0.255 10.948 0.496 1.00 0.00 C +ATOM 296 O SER A 20 0.173 11.092 -0.672 1.00 0.00 O +ATOM 297 CB SER A 20 1.496 10.383 2.241 1.00 0.00 C +ATOM 298 OG SER A 20 2.667 10.641 1.485 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.188 11.592 1.023 1.00 0.00 O +ATOM 300 H SER A 20 1.372 9.005 -0.251 1.00 0.00 H +ATOM 301 HA SER A 20 -0.439 9.514 2.020 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.175 11.295 2.707 1.00 0.00 H +ATOM 303 HB3 SER A 20 1.726 9.639 3.008 1.00 0.00 H +ATOM 304 HG SER A 20 3.313 11.084 2.036 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 32 +ATOM 1 N ASN A 1 -6.852 6.802 0.784 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.569 5.905 -0.155 1.00 0.00 C +ATOM 3 C ASN A 1 -6.675 4.784 -0.685 1.00 0.00 C +ATOM 4 O ASN A 1 -6.907 3.637 -0.312 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.306 6.688 -1.259 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.658 7.144 -0.720 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.402 6.342 -0.185 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -9.997 8.418 -0.771 1.00 0.00 N +ATOM 9 H1 ASN A 1 -6.406 6.262 1.512 1.00 0.00 H +ATOM 10 H2 ASN A 1 -6.150 7.342 0.294 1.00 0.00 H +ATOM 11 H3 ASN A 1 -7.507 7.441 1.214 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.341 5.383 0.416 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -7.724 7.543 -1.544 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.496 6.032 -2.110 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -9.452 9.144 -1.207 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -10.916 8.601 -0.396 1.00 0.00 H +ATOM 17 N LEU A 2 -5.641 5.081 -1.489 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.771 4.070 -2.118 1.00 0.00 C +ATOM 19 C LEU A 2 -4.066 3.118 -1.122 1.00 0.00 C +ATOM 20 O LEU A 2 -3.610 2.044 -1.507 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.736 4.788 -3.009 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.207 3.896 -4.155 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.121 3.970 -5.385 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -1.783 4.286 -4.551 1.00 0.00 C +ATOM 25 H LEU A 2 -5.488 6.032 -1.793 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.401 3.449 -2.761 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.197 5.657 -3.437 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.911 5.107 -2.379 1.00 0.00 H +ATOM 29 HG LEU A 2 -3.172 2.861 -3.826 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -5.104 4.362 -5.124 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.683 4.602 -6.157 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.253 2.966 -5.790 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -1.718 5.358 -4.736 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -1.099 4.008 -3.752 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -1.488 3.743 -5.449 1.00 0.00 H +ATOM 36 N TYR A 3 -4.017 3.470 0.169 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.452 2.660 1.248 1.00 0.00 C +ATOM 38 C TYR A 3 -4.002 1.221 1.271 1.00 0.00 C +ATOM 39 O TYR A 3 -3.253 0.284 1.527 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.690 3.373 2.590 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.578 3.161 3.597 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.514 1.966 4.339 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.601 4.161 3.787 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.479 1.768 5.270 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.567 3.969 4.722 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.503 2.769 5.464 1.00 0.00 C +ATOM 47 OH TYR A 3 0.485 2.574 6.378 1.00 0.00 O +ATOM 48 H TYR A 3 -4.399 4.368 0.410 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.376 2.600 1.088 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.782 4.426 2.403 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.635 3.037 3.021 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.259 1.196 4.191 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.635 5.081 3.217 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.416 0.856 5.843 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.180 4.734 4.872 1.00 0.00 H +ATOM 56 HH TYR A 3 0.286 3.012 7.208 1.00 0.00 H +ATOM 57 N ILE A 4 -5.291 1.031 0.946 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.931 -0.293 0.853 1.00 0.00 C +ATOM 59 C ILE A 4 -5.280 -1.132 -0.262 1.00 0.00 C +ATOM 60 O ILE A 4 -4.975 -2.308 -0.057 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.452 -0.139 0.612 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.150 0.694 1.716 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.133 -1.519 0.519 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.405 1.406 1.195 1.00 0.00 C +ATOM 65 H ILE A 4 -5.843 1.851 0.722 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.780 -0.822 1.794 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.585 0.372 -0.343 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.432 0.039 2.518 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.485 1.468 2.099 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.763 -2.077 -0.343 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.934 -2.097 1.423 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.211 -1.406 0.405 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -9.143 2.050 0.354 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -10.152 0.681 0.875 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.826 2.022 1.989 1.00 0.00 H +ATOM 76 N GLN A 5 -5.043 -0.527 -1.433 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.319 -1.165 -2.532 1.00 0.00 C +ATOM 78 C GLN A 5 -2.856 -1.426 -2.147 1.00 0.00 C +ATOM 79 O GLN A 5 -2.382 -2.537 -2.342 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.432 -0.330 -3.822 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.812 -0.453 -4.498 1.00 0.00 C +ATOM 82 CD GLN A 5 -6.574 0.869 -4.544 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -6.511 1.619 -5.500 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -7.337 1.205 -3.520 1.00 0.00 N +ATOM 85 H GLN A 5 -5.183 0.474 -1.483 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.763 -2.143 -2.723 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.261 0.701 -3.579 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.682 -0.687 -4.528 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.671 -0.801 -5.503 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.424 -1.202 -3.994 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.488 0.604 -2.731 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -7.851 2.055 -3.678 1.00 0.00 H +ATOM 93 N TRP A 6 -2.161 -0.464 -1.529 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.783 -0.667 -1.057 1.00 0.00 C +ATOM 95 C TRP A 6 -0.645 -1.797 -0.021 1.00 0.00 C +ATOM 96 O TRP A 6 0.314 -2.570 -0.062 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.249 0.652 -0.495 1.00 0.00 C +ATOM 98 CG TRP A 6 1.135 0.570 0.072 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.275 0.562 -0.652 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.545 0.458 1.469 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.360 0.439 0.197 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.968 0.390 1.513 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.867 0.423 2.708 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.691 0.320 2.711 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.580 0.342 3.919 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.987 0.304 3.924 1.00 0.00 C +ATOM 107 H TRP A 6 -2.607 0.442 -1.410 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.164 -0.953 -1.911 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.245 1.376 -1.287 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.917 0.998 0.291 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.321 0.634 -1.731 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.338 0.431 -0.094 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.213 0.476 2.719 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.771 0.289 2.684 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.047 0.329 4.859 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.522 0.272 4.860 1.00 0.00 H +ATOM 117 N LEU A 7 -1.613 -1.946 0.894 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.654 -3.093 1.806 1.00 0.00 C +ATOM 119 C LEU A 7 -1.835 -4.426 1.058 1.00 0.00 C +ATOM 120 O LEU A 7 -1.246 -5.420 1.478 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.752 -2.898 2.866 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.416 -1.848 3.943 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.648 -1.629 4.827 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.246 -2.272 4.838 1.00 0.00 C +ATOM 125 H LEU A 7 -2.340 -1.237 0.952 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.691 -3.164 2.309 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.651 -2.591 2.366 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.928 -3.852 3.365 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.156 -0.903 3.474 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.482 -1.286 4.215 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.923 -2.562 5.321 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.435 -0.875 5.585 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.429 -3.262 5.255 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.321 -2.286 4.263 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -1.123 -1.560 5.652 1.00 0.00 H +ATOM 136 N LYS A 8 -2.573 -4.450 -0.065 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.753 -5.637 -0.920 1.00 0.00 C +ATOM 138 C LYS A 8 -1.423 -6.194 -1.444 1.00 0.00 C +ATOM 139 O LYS A 8 -1.285 -7.410 -1.532 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.680 -5.295 -2.099 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.298 -6.504 -2.814 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.536 -7.065 -2.098 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.303 -8.006 -3.036 1.00 0.00 C +ATOM 144 NZ LYS A 8 -7.007 -7.254 -4.106 1.00 0.00 N +ATOM 145 H LYS A 8 -2.995 -3.577 -0.362 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.211 -6.421 -0.316 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.480 -4.685 -1.727 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.094 -4.770 -2.849 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.583 -6.205 -3.804 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -3.557 -7.296 -2.934 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.227 -7.608 -1.225 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.190 -6.253 -1.779 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -5.610 -8.689 -3.488 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.027 -8.580 -2.453 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -7.790 -6.744 -3.720 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -6.372 -6.589 -4.533 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -7.345 -7.883 -4.822 1.00 0.00 H +ATOM 158 N ASP A 9 -0.447 -5.329 -1.753 1.00 0.00 N +ATOM 159 CA ASP A 9 0.910 -5.749 -2.133 1.00 0.00 C +ATOM 160 C ASP A 9 1.670 -6.459 -0.990 1.00 0.00 C +ATOM 161 O ASP A 9 2.622 -7.186 -1.270 1.00 0.00 O +ATOM 162 CB ASP A 9 1.736 -4.535 -2.594 1.00 0.00 C +ATOM 163 CG ASP A 9 1.220 -3.854 -3.861 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.591 -4.337 -4.953 1.00 0.00 O +ATOM 165 OD2 ASP A 9 0.541 -2.814 -3.721 1.00 0.00 O +ATOM 166 H ASP A 9 -0.655 -4.337 -1.719 1.00 0.00 H +ATOM 167 HA ASP A 9 0.844 -6.450 -2.966 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.736 -3.811 -1.802 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.749 -4.874 -2.808 1.00 0.00 H +ATOM 170 N GLY A 10 1.257 -6.258 0.274 1.00 0.00 N +ATOM 171 CA GLY A 10 1.961 -6.712 1.480 1.00 0.00 C +ATOM 172 C GLY A 10 2.411 -5.586 2.425 1.00 0.00 C +ATOM 173 O GLY A 10 3.160 -5.849 3.367 1.00 0.00 O +ATOM 174 H GLY A 10 0.383 -5.760 0.408 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.304 -7.377 2.037 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.850 -7.277 1.196 1.00 0.00 H +ATOM 177 N GLY A 11 2.008 -4.326 2.183 1.00 0.00 N +ATOM 178 CA GLY A 11 2.450 -3.174 2.973 1.00 0.00 C +ATOM 179 C GLY A 11 3.980 -2.984 2.932 1.00 0.00 C +ATOM 180 O GLY A 11 4.559 -3.040 1.839 1.00 0.00 O +ATOM 181 H GLY A 11 1.456 -4.151 1.354 1.00 0.00 H +ATOM 182 HA2 GLY A 11 1.984 -2.274 2.571 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.101 -3.314 3.994 1.00 0.00 H +ATOM 184 N PRO A 12 4.665 -2.766 4.078 1.00 0.00 N +ATOM 185 CA PRO A 12 6.116 -2.537 4.125 1.00 0.00 C +ATOM 186 C PRO A 12 6.959 -3.639 3.466 1.00 0.00 C +ATOM 187 O PRO A 12 8.019 -3.357 2.912 1.00 0.00 O +ATOM 188 CB PRO A 12 6.477 -2.417 5.612 1.00 0.00 C +ATOM 189 CG PRO A 12 5.164 -2.042 6.293 1.00 0.00 C +ATOM 190 CD PRO A 12 4.110 -2.726 5.425 1.00 0.00 C +ATOM 191 HA PRO A 12 6.331 -1.590 3.630 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.847 -3.351 5.989 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.243 -1.658 5.777 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.133 -2.413 7.299 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.028 -0.961 6.254 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.922 -3.721 5.781 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.178 -2.162 5.468 1.00 0.00 H +ATOM 198 N SER A 13 6.486 -4.890 3.490 1.00 0.00 N +ATOM 199 CA SER A 13 7.202 -6.073 2.992 1.00 0.00 C +ATOM 200 C SER A 13 7.143 -6.241 1.464 1.00 0.00 C +ATOM 201 O SER A 13 7.476 -7.309 0.957 1.00 0.00 O +ATOM 202 CB SER A 13 6.669 -7.320 3.710 1.00 0.00 C +ATOM 203 OG SER A 13 6.903 -7.208 5.102 1.00 0.00 O +ATOM 204 H SER A 13 5.586 -5.054 3.924 1.00 0.00 H +ATOM 205 HA SER A 13 8.256 -5.969 3.247 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.615 -7.410 3.532 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.175 -8.210 3.337 1.00 0.00 H +ATOM 208 HG SER A 13 7.852 -7.195 5.257 1.00 0.00 H +ATOM 209 N SER A 14 6.739 -5.198 0.725 1.00 0.00 N +ATOM 210 CA SER A 14 6.405 -5.266 -0.708 1.00 0.00 C +ATOM 211 C SER A 14 7.371 -4.503 -1.623 1.00 0.00 C +ATOM 212 O SER A 14 7.116 -4.406 -2.826 1.00 0.00 O +ATOM 213 CB SER A 14 4.983 -4.759 -0.973 1.00 0.00 C +ATOM 214 OG SER A 14 4.134 -4.862 0.138 1.00 0.00 O +ATOM 215 H SER A 14 6.478 -4.368 1.241 1.00 0.00 H +ATOM 216 HA SER A 14 6.427 -6.311 -1.020 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.039 -3.727 -1.263 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.571 -5.340 -1.796 1.00 0.00 H +ATOM 219 HG SER A 14 4.313 -4.115 0.764 1.00 0.00 H +ATOM 220 N GLY A 15 8.442 -3.922 -1.059 1.00 0.00 N +ATOM 221 CA GLY A 15 9.474 -3.182 -1.792 1.00 0.00 C +ATOM 222 C GLY A 15 9.029 -1.817 -2.334 1.00 0.00 C +ATOM 223 O GLY A 15 9.636 -1.322 -3.282 1.00 0.00 O +ATOM 224 H GLY A 15 8.567 -4.078 -0.067 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.326 -3.018 -1.132 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.816 -3.786 -2.634 1.00 0.00 H +ATOM 227 N ARG A 16 7.971 -1.217 -1.769 1.00 0.00 N +ATOM 228 CA ARG A 16 7.354 0.032 -2.244 1.00 0.00 C +ATOM 229 C ARG A 16 6.844 0.894 -1.071 1.00 0.00 C +ATOM 230 O ARG A 16 6.204 0.347 -0.168 1.00 0.00 O +ATOM 231 CB ARG A 16 6.234 -0.313 -3.248 1.00 0.00 C +ATOM 232 CG ARG A 16 5.064 -1.085 -2.611 1.00 0.00 C +ATOM 233 CD ARG A 16 4.139 -1.794 -3.605 1.00 0.00 C +ATOM 234 NE ARG A 16 4.801 -2.956 -4.225 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.278 -3.071 -5.455 1.00 0.00 C +ATOM 236 NH1 ARG A 16 5.210 -2.093 -6.329 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.864 -4.186 -5.822 1.00 0.00 N +ATOM 238 H ARG A 16 7.549 -1.675 -0.973 1.00 0.00 H +ATOM 239 HA ARG A 16 8.120 0.589 -2.783 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.854 0.601 -3.662 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.672 -0.909 -4.049 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.474 -1.825 -1.951 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.465 -0.382 -2.044 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.261 -2.128 -3.087 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.785 -1.084 -4.353 1.00 0.00 H +ATOM 246 HE ARG A 16 4.929 -3.770 -3.646 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.742 -1.252 -6.044 1.00 0.00 H +ATOM 248 HH12 ARG A 16 5.588 -2.189 -7.251 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.998 -4.910 -5.134 1.00 0.00 H +ATOM 250 HH22 ARG A 16 6.200 -4.304 -6.756 1.00 0.00 H +ATOM 251 N PRO A 17 7.087 2.220 -1.065 1.00 0.00 N +ATOM 252 CA PRO A 17 6.655 3.106 0.019 1.00 0.00 C +ATOM 253 C PRO A 17 5.123 3.267 0.052 1.00 0.00 C +ATOM 254 O PRO A 17 4.470 3.043 -0.971 1.00 0.00 O +ATOM 255 CB PRO A 17 7.355 4.442 -0.256 1.00 0.00 C +ATOM 256 CG PRO A 17 7.509 4.455 -1.776 1.00 0.00 C +ATOM 257 CD PRO A 17 7.758 2.986 -2.109 1.00 0.00 C +ATOM 258 HA PRO A 17 6.997 2.705 0.974 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.753 5.266 0.076 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.342 4.438 0.209 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.616 4.812 -2.251 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.338 5.087 -2.096 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.347 2.746 -3.071 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.828 2.777 -2.079 1.00 0.00 H +ATOM 265 N PRO A 18 4.537 3.673 1.196 1.00 0.00 N +ATOM 266 CA PRO A 18 3.102 3.903 1.304 1.00 0.00 C +ATOM 267 C PRO A 18 2.667 5.149 0.509 1.00 0.00 C +ATOM 268 O PRO A 18 3.454 6.085 0.353 1.00 0.00 O +ATOM 269 CB PRO A 18 2.819 4.069 2.799 1.00 0.00 C +ATOM 270 CG PRO A 18 4.134 4.621 3.345 1.00 0.00 C +ATOM 271 CD PRO A 18 5.189 3.944 2.471 1.00 0.00 C +ATOM 272 HA PRO A 18 2.575 3.028 0.934 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.014 4.759 2.964 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.618 3.095 3.244 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.176 5.688 3.241 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.266 4.380 4.399 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.030 4.595 2.329 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.495 3.002 2.927 1.00 0.00 H +ATOM 279 N PRO A 19 1.416 5.184 0.020 1.00 0.00 N +ATOM 280 CA PRO A 19 0.856 6.338 -0.670 1.00 0.00 C +ATOM 281 C PRO A 19 0.274 7.370 0.308 1.00 0.00 C +ATOM 282 O PRO A 19 -0.285 7.006 1.346 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.241 5.744 -1.552 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.772 4.583 -0.706 1.00 0.00 C +ATOM 285 CD PRO A 19 0.476 4.073 0.003 1.00 0.00 C +ATOM 286 HA PRO A 19 1.613 6.813 -1.296 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.012 6.464 -1.746 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.214 5.358 -2.465 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.504 4.924 0.000 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.221 3.803 -1.320 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.238 3.772 1.005 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.911 3.257 -0.574 1.00 0.00 H +ATOM 293 N SER A 20 0.317 8.642 -0.115 1.00 0.00 N +ATOM 294 CA SER A 20 -0.113 9.835 0.640 1.00 0.00 C +ATOM 295 C SER A 20 0.639 10.031 1.968 1.00 0.00 C +ATOM 296 O SER A 20 0.066 10.720 2.840 1.00 0.00 O +ATOM 297 CB SER A 20 -1.636 9.826 0.849 1.00 0.00 C +ATOM 298 OG SER A 20 -2.305 9.711 -0.395 1.00 0.00 O +ATOM 299 OXT SER A 20 1.796 9.565 2.056 1.00 0.00 O +ATOM 300 H SER A 20 0.838 8.806 -0.960 1.00 0.00 H +ATOM 301 HA SER A 20 0.140 10.716 0.055 1.00 0.00 H +ATOM 302 HB2 SER A 20 -1.902 8.994 1.472 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.934 10.755 1.339 1.00 0.00 H +ATOM 304 HG SER A 20 -1.851 10.287 -1.014 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 33 +ATOM 1 N ASN A 1 -9.696 2.810 -1.214 1.00 0.00 N +ATOM 2 CA ASN A 1 -8.702 3.862 -0.904 1.00 0.00 C +ATOM 3 C ASN A 1 -7.320 3.416 -1.392 1.00 0.00 C +ATOM 4 O ASN A 1 -7.058 2.216 -1.401 1.00 0.00 O +ATOM 5 CB ASN A 1 -8.682 4.180 0.603 1.00 0.00 C +ATOM 6 CG ASN A 1 -7.901 5.460 0.875 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -6.683 5.431 0.961 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -8.563 6.601 0.949 1.00 0.00 N +ATOM 9 H1 ASN A 1 -9.798 2.712 -2.215 1.00 0.00 H +ATOM 10 H2 ASN A 1 -9.371 1.928 -0.840 1.00 0.00 H +ATOM 11 H3 ASN A 1 -10.593 3.041 -0.806 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.978 4.770 -1.442 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -9.690 4.302 0.950 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.208 3.365 1.150 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -9.568 6.669 0.919 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -7.997 7.418 1.129 1.00 0.00 H +ATOM 17 N LEU A 2 -6.450 4.362 -1.773 1.00 0.00 N +ATOM 18 CA LEU A 2 -5.070 4.110 -2.206 1.00 0.00 C +ATOM 19 C LEU A 2 -4.261 3.274 -1.198 1.00 0.00 C +ATOM 20 O LEU A 2 -3.535 2.363 -1.600 1.00 0.00 O +ATOM 21 CB LEU A 2 -4.351 5.440 -2.547 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.514 6.597 -1.528 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.229 7.411 -1.372 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -5.623 7.572 -1.951 1.00 0.00 C +ATOM 25 H LEU A 2 -6.706 5.331 -1.654 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.109 3.519 -3.122 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.303 5.230 -2.636 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -4.699 5.782 -3.523 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.759 6.191 -0.552 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -2.500 6.830 -0.816 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.824 7.681 -2.347 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.422 8.320 -0.800 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -5.295 8.148 -2.819 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -6.539 7.048 -2.209 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -5.828 8.260 -1.132 1.00 0.00 H +ATOM 36 N TYR A 3 -4.415 3.532 0.107 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.672 2.802 1.139 1.00 0.00 C +ATOM 38 C TYR A 3 -4.041 1.307 1.188 1.00 0.00 C +ATOM 39 O TYR A 3 -3.171 0.461 1.386 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.879 3.480 2.497 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.767 3.185 3.485 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.814 2.034 4.294 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.673 4.066 3.584 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.769 1.770 5.202 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.633 3.814 4.497 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.678 2.659 5.305 1.00 0.00 C +ATOM 47 OH TYR A 3 0.328 2.397 6.181 1.00 0.00 O +ATOM 48 H TYR A 3 -5.030 4.292 0.388 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.611 2.866 0.893 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.928 4.541 2.345 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.839 3.176 2.920 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.646 1.348 4.217 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.623 4.947 2.966 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.786 0.898 5.835 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.183 4.517 4.582 1.00 0.00 H +ATOM 56 HH TYR A 3 1.000 3.080 6.149 1.00 0.00 H +ATOM 57 N ILE A 4 -5.317 0.964 0.945 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.797 -0.427 0.890 1.00 0.00 C +ATOM 59 C ILE A 4 -5.106 -1.182 -0.260 1.00 0.00 C +ATOM 60 O ILE A 4 -4.649 -2.312 -0.079 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.343 -0.481 0.776 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.026 0.176 2.003 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.809 -1.944 0.634 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.518 0.486 1.806 1.00 0.00 C +ATOM 65 H ILE A 4 -5.958 1.710 0.720 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.510 -0.925 1.817 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.647 0.059 -0.122 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -7.929 -0.490 2.838 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.538 1.122 2.236 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.478 -2.358 -0.319 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.398 -2.547 1.445 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.894 -2.016 0.659 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -9.642 1.219 1.013 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -10.080 -0.412 1.556 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.924 0.899 2.728 1.00 0.00 H +ATOM 76 N GLN A 5 -4.987 -0.542 -1.429 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.265 -1.071 -2.589 1.00 0.00 C +ATOM 78 C GLN A 5 -2.780 -1.329 -2.278 1.00 0.00 C +ATOM 79 O GLN A 5 -2.258 -2.372 -2.663 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.444 -0.110 -3.783 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.274 -0.705 -4.937 1.00 0.00 C +ATOM 82 CD GLN A 5 -4.406 -1.168 -6.106 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -3.743 -0.382 -6.761 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -4.396 -2.444 -6.437 1.00 0.00 N +ATOM 85 H GLN A 5 -5.362 0.397 -1.487 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.696 -2.043 -2.836 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.937 0.777 -3.433 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.468 0.199 -4.159 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.827 -1.546 -4.565 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.939 0.070 -5.317 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.933 -3.137 -5.951 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -3.802 -2.637 -7.226 1.00 0.00 H +ATOM 93 N TRP A 6 -2.110 -0.425 -1.550 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.735 -0.642 -1.083 1.00 0.00 C +ATOM 95 C TRP A 6 -0.618 -1.798 -0.074 1.00 0.00 C +ATOM 96 O TRP A 6 0.284 -2.632 -0.196 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.178 0.660 -0.502 1.00 0.00 C +ATOM 98 CG TRP A 6 1.220 0.560 0.030 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.344 0.499 -0.720 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.660 0.470 1.420 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.446 0.394 0.108 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.084 0.389 1.433 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.008 0.446 2.674 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.829 0.330 2.618 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.746 0.354 3.871 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.152 0.312 3.847 1.00 0.00 C +ATOM 107 H TRP A 6 -2.590 0.437 -1.304 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.120 -0.916 -1.942 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.189 1.403 -1.276 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.826 1.000 0.307 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.370 0.522 -1.801 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.422 0.342 -0.195 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.071 0.498 2.709 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.908 0.276 2.569 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.228 0.327 4.819 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.709 0.259 4.771 1.00 0.00 H +ATOM 117 N LEU A 7 -1.541 -1.889 0.896 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.582 -3.011 1.838 1.00 0.00 C +ATOM 119 C LEU A 7 -1.783 -4.360 1.136 1.00 0.00 C +ATOM 120 O LEU A 7 -1.117 -5.321 1.517 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.666 -2.803 2.908 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.354 -1.713 3.950 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.542 -1.608 4.912 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.090 -2.018 4.764 1.00 0.00 C +ATOM 125 H LEU A 7 -2.233 -1.146 0.975 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.612 -3.079 2.329 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.578 -2.536 2.410 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.803 -3.746 3.442 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.222 -0.755 3.451 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.453 -1.399 4.353 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.663 -2.544 5.458 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.376 -0.804 5.626 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.148 -3.021 5.187 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.210 -1.944 4.128 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.982 -1.297 5.571 1.00 0.00 H +ATOM 136 N LYS A 8 -2.633 -4.432 0.094 1.00 0.00 N +ATOM 137 CA LYS A 8 -2.884 -5.655 -0.692 1.00 0.00 C +ATOM 138 C LYS A 8 -1.596 -6.330 -1.179 1.00 0.00 C +ATOM 139 O LYS A 8 -1.525 -7.556 -1.201 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.808 -5.329 -1.882 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.241 -6.587 -2.655 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.060 -6.237 -3.903 1.00 0.00 C +ATOM 143 CE LYS A 8 -5.306 -7.504 -4.738 1.00 0.00 C +ATOM 144 NZ LYS A 8 -4.559 -7.485 -6.019 1.00 0.00 N +ATOM 145 H LYS A 8 -3.173 -3.595 -0.117 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.386 -6.377 -0.047 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.685 -4.834 -1.511 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.277 -4.670 -2.567 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -3.365 -7.128 -2.956 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -4.835 -7.226 -2.000 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.002 -5.819 -3.605 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -4.524 -5.490 -4.491 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -4.994 -8.359 -4.169 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.379 -7.594 -4.932 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -4.868 -6.712 -6.594 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -3.566 -7.387 -5.848 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -4.715 -8.344 -6.529 1.00 0.00 H +ATOM 158 N ASP A 9 -0.590 -5.540 -1.563 1.00 0.00 N +ATOM 159 CA ASP A 9 0.696 -6.034 -2.059 1.00 0.00 C +ATOM 160 C ASP A 9 1.604 -6.602 -0.943 1.00 0.00 C +ATOM 161 O ASP A 9 2.534 -7.350 -1.236 1.00 0.00 O +ATOM 162 CB ASP A 9 1.377 -4.885 -2.828 1.00 0.00 C +ATOM 163 CG ASP A 9 2.180 -5.390 -4.029 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.517 -5.724 -5.041 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.423 -5.398 -3.944 1.00 0.00 O +ATOM 166 H ASP A 9 -0.734 -4.540 -1.523 1.00 0.00 H +ATOM 167 HA ASP A 9 0.502 -6.844 -2.765 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.622 -4.207 -3.177 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.011 -4.308 -2.158 1.00 0.00 H +ATOM 170 N GLY A 10 1.315 -6.291 0.335 1.00 0.00 N +ATOM 171 CA GLY A 10 2.125 -6.667 1.501 1.00 0.00 C +ATOM 172 C GLY A 10 2.634 -5.488 2.350 1.00 0.00 C +ATOM 173 O GLY A 10 3.490 -5.686 3.216 1.00 0.00 O +ATOM 174 H GLY A 10 0.438 -5.808 0.503 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.519 -7.303 2.147 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.993 -7.245 1.182 1.00 0.00 H +ATOM 177 N GLY A 11 2.132 -4.266 2.113 1.00 0.00 N +ATOM 178 CA GLY A 11 2.535 -3.041 2.809 1.00 0.00 C +ATOM 179 C GLY A 11 4.061 -2.833 2.842 1.00 0.00 C +ATOM 180 O GLY A 11 4.676 -2.729 1.777 1.00 0.00 O +ATOM 181 H GLY A 11 1.459 -4.179 1.364 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.091 -2.192 2.292 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.124 -3.070 3.815 1.00 0.00 H +ATOM 184 N PRO A 12 4.716 -2.764 4.022 1.00 0.00 N +ATOM 185 CA PRO A 12 6.173 -2.628 4.110 1.00 0.00 C +ATOM 186 C PRO A 12 6.953 -3.752 3.413 1.00 0.00 C +ATOM 187 O PRO A 12 8.085 -3.532 2.985 1.00 0.00 O +ATOM 188 CB PRO A 12 6.510 -2.614 5.607 1.00 0.00 C +ATOM 189 CG PRO A 12 5.200 -2.211 6.279 1.00 0.00 C +ATOM 190 CD PRO A 12 4.136 -2.801 5.356 1.00 0.00 C +ATOM 191 HA PRO A 12 6.463 -1.674 3.669 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.824 -3.586 5.936 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.309 -1.906 5.829 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.129 -2.629 7.265 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.116 -1.124 6.289 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.912 -3.811 5.640 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.224 -2.208 5.422 1.00 0.00 H +ATOM 198 N SER A 13 6.364 -4.949 3.290 1.00 0.00 N +ATOM 199 CA SER A 13 7.032 -6.120 2.719 1.00 0.00 C +ATOM 200 C SER A 13 7.005 -6.154 1.183 1.00 0.00 C +ATOM 201 O SER A 13 7.560 -7.084 0.599 1.00 0.00 O +ATOM 202 CB SER A 13 6.426 -7.399 3.310 1.00 0.00 C +ATOM 203 OG SER A 13 7.402 -8.420 3.301 1.00 0.00 O +ATOM 204 H SER A 13 5.392 -5.053 3.575 1.00 0.00 H +ATOM 205 HA SER A 13 8.080 -6.085 3.021 1.00 0.00 H +ATOM 206 HB2 SER A 13 6.109 -7.214 4.318 1.00 0.00 H +ATOM 207 HB3 SER A 13 5.557 -7.710 2.730 1.00 0.00 H +ATOM 208 HG SER A 13 7.730 -8.506 2.397 1.00 0.00 H +ATOM 209 N SER A 14 6.381 -5.157 0.538 1.00 0.00 N +ATOM 210 CA SER A 14 6.165 -5.055 -0.915 1.00 0.00 C +ATOM 211 C SER A 14 7.342 -4.457 -1.697 1.00 0.00 C +ATOM 212 O SER A 14 7.309 -4.428 -2.924 1.00 0.00 O +ATOM 213 CB SER A 14 4.964 -4.138 -1.174 1.00 0.00 C +ATOM 214 OG SER A 14 3.864 -4.511 -0.377 1.00 0.00 O +ATOM 215 H SER A 14 5.881 -4.475 1.098 1.00 0.00 H +ATOM 216 HA SER A 14 5.937 -6.042 -1.321 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.238 -3.127 -0.943 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.688 -4.185 -2.225 1.00 0.00 H +ATOM 219 HG SER A 14 3.188 -3.835 -0.468 1.00 0.00 H +ATOM 220 N GLY A 15 8.357 -3.909 -1.017 1.00 0.00 N +ATOM 221 CA GLY A 15 9.474 -3.213 -1.669 1.00 0.00 C +ATOM 222 C GLY A 15 9.156 -1.791 -2.160 1.00 0.00 C +ATOM 223 O GLY A 15 9.942 -1.231 -2.920 1.00 0.00 O +ATOM 224 H GLY A 15 8.341 -3.994 -0.010 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.311 -3.152 -0.976 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.800 -3.797 -2.532 1.00 0.00 H +ATOM 227 N ARG A 16 8.024 -1.197 -1.741 1.00 0.00 N +ATOM 228 CA ARG A 16 7.568 0.140 -2.156 1.00 0.00 C +ATOM 229 C ARG A 16 7.012 0.930 -0.956 1.00 0.00 C +ATOM 230 O ARG A 16 6.231 0.354 -0.196 1.00 0.00 O +ATOM 231 CB ARG A 16 6.504 -0.029 -3.256 1.00 0.00 C +ATOM 232 CG ARG A 16 6.136 1.305 -3.920 1.00 0.00 C +ATOM 233 CD ARG A 16 5.111 1.119 -5.043 1.00 0.00 C +ATOM 234 NE ARG A 16 4.902 2.373 -5.790 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.118 3.394 -5.467 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.401 3.409 -4.368 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.046 4.440 -6.259 1.00 0.00 N +ATOM 238 H ARG A 16 7.441 -1.716 -1.100 1.00 0.00 H +ATOM 239 HA ARG A 16 8.423 0.671 -2.576 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.886 -0.694 -4.006 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.608 -0.485 -2.831 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.722 1.960 -3.177 1.00 0.00 H +ATOM 243 HG3 ARG A 16 7.039 1.747 -4.344 1.00 0.00 H +ATOM 244 HD2 ARG A 16 5.466 0.364 -5.719 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.167 0.759 -4.628 1.00 0.00 H +ATOM 246 HE ARG A 16 5.422 2.462 -6.647 1.00 0.00 H +ATOM 247 HH11 ARG A 16 3.504 2.647 -3.718 1.00 0.00 H +ATOM 248 HH12 ARG A 16 2.814 4.189 -4.136 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.589 4.478 -7.103 1.00 0.00 H +ATOM 250 HH22 ARG A 16 3.453 5.213 -6.014 1.00 0.00 H +ATOM 251 N PRO A 17 7.341 2.229 -0.790 1.00 0.00 N +ATOM 252 CA PRO A 17 6.828 3.050 0.313 1.00 0.00 C +ATOM 253 C PRO A 17 5.302 3.268 0.240 1.00 0.00 C +ATOM 254 O PRO A 17 4.711 3.118 -0.837 1.00 0.00 O +ATOM 255 CB PRO A 17 7.588 4.382 0.217 1.00 0.00 C +ATOM 256 CG PRO A 17 7.955 4.479 -1.259 1.00 0.00 C +ATOM 257 CD PRO A 17 8.236 3.024 -1.624 1.00 0.00 C +ATOM 258 HA PRO A 17 7.073 2.564 1.257 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.962 5.202 0.511 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.498 4.326 0.815 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.141 4.874 -1.836 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.825 5.116 -1.425 1.00 0.00 H +ATOM 263 HD2 PRO A 17 8.031 2.852 -2.663 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.270 2.778 -1.381 1.00 0.00 H +ATOM 265 N PRO A 18 4.658 3.643 1.366 1.00 0.00 N +ATOM 266 CA PRO A 18 3.221 3.898 1.414 1.00 0.00 C +ATOM 267 C PRO A 18 2.834 5.170 0.637 1.00 0.00 C +ATOM 268 O PRO A 18 3.623 6.115 0.574 1.00 0.00 O +ATOM 269 CB PRO A 18 2.872 4.023 2.901 1.00 0.00 C +ATOM 270 CG PRO A 18 4.173 4.506 3.536 1.00 0.00 C +ATOM 271 CD PRO A 18 5.248 3.833 2.686 1.00 0.00 C +ATOM 272 HA PRO A 18 2.702 3.039 0.999 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.085 4.736 3.051 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.619 3.041 3.300 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.254 5.575 3.483 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.246 4.214 4.585 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.117 4.459 2.619 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.501 2.862 3.113 1.00 0.00 H +ATOM 279 N PRO A 19 1.620 5.223 0.057 1.00 0.00 N +ATOM 280 CA PRO A 19 1.139 6.367 -0.722 1.00 0.00 C +ATOM 281 C PRO A 19 0.477 7.473 0.123 1.00 0.00 C +ATOM 282 O PRO A 19 0.201 8.545 -0.412 1.00 0.00 O +ATOM 283 CB PRO A 19 0.125 5.747 -1.684 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.519 4.650 -0.831 1.00 0.00 C +ATOM 285 CD PRO A 19 0.673 4.117 -0.040 1.00 0.00 C +ATOM 286 HA PRO A 19 1.956 6.812 -1.290 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.603 6.470 -1.999 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.651 5.295 -2.525 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.270 5.054 -0.179 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.979 3.875 -1.444 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.362 3.806 0.939 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.138 3.304 -0.597 1.00 0.00 H +ATOM 293 N SER A 20 0.213 7.210 1.410 1.00 0.00 N +ATOM 294 CA SER A 20 -0.379 8.118 2.401 1.00 0.00 C +ATOM 295 C SER A 20 0.477 8.085 3.667 1.00 0.00 C +ATOM 296 O SER A 20 0.871 9.175 4.129 1.00 0.00 O +ATOM 297 CB SER A 20 -1.821 7.700 2.717 1.00 0.00 C +ATOM 298 OG SER A 20 -2.657 8.835 2.780 1.00 0.00 O +ATOM 299 OXT SER A 20 0.731 6.946 4.124 1.00 0.00 O +ATOM 300 H SER A 20 0.539 6.334 1.792 1.00 0.00 H +ATOM 301 HA SER A 20 -0.376 9.140 2.021 1.00 0.00 H +ATOM 302 HB2 SER A 20 -2.175 7.041 1.948 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.844 7.173 3.675 1.00 0.00 H +ATOM 304 HG SER A 20 -3.473 8.604 3.228 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 34 +ATOM 1 N ASN A 1 -5.799 7.830 -0.622 1.00 0.00 N +ATOM 2 CA ASN A 1 -6.880 6.904 -1.045 1.00 0.00 C +ATOM 3 C ASN A 1 -6.385 5.527 -1.533 1.00 0.00 C +ATOM 4 O ASN A 1 -7.195 4.623 -1.680 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.825 7.579 -2.066 1.00 0.00 C +ATOM 6 CG ASN A 1 -9.296 7.287 -1.763 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -9.622 6.455 -0.932 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -10.226 7.998 -2.373 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.221 7.401 0.088 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.228 8.093 -1.416 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.207 8.670 -0.235 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.484 6.690 -0.160 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -7.668 8.640 -2.035 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -7.593 7.245 -3.078 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -10.030 8.724 -3.044 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -11.167 7.758 -2.108 1.00 0.00 H +ATOM 17 N LEU A 2 -5.074 5.320 -1.762 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.517 4.062 -2.295 1.00 0.00 C +ATOM 19 C LEU A 2 -3.967 3.102 -1.219 1.00 0.00 C +ATOM 20 O LEU A 2 -3.428 2.045 -1.548 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.448 4.425 -3.346 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.051 4.779 -4.719 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.023 5.544 -5.556 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -4.473 3.517 -5.479 1.00 0.00 C +ATOM 25 H LEU A 2 -4.397 6.057 -1.657 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.309 3.505 -2.795 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -2.890 5.269 -2.989 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.757 3.592 -3.484 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.923 5.421 -4.583 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -2.817 6.509 -5.095 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.096 4.973 -5.628 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.417 5.717 -6.558 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -3.615 2.859 -5.616 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.251 2.986 -4.932 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -4.869 3.792 -6.456 1.00 0.00 H +ATOM 36 N TYR A 3 -4.114 3.440 0.068 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.557 2.674 1.187 1.00 0.00 C +ATOM 38 C TYR A 3 -4.050 1.217 1.220 1.00 0.00 C +ATOM 39 O TYR A 3 -3.279 0.313 1.534 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.871 3.401 2.505 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.796 3.226 3.558 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.742 2.051 4.335 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.836 4.240 3.749 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.743 1.897 5.317 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.837 4.088 4.726 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.793 2.923 5.516 1.00 0.00 C +ATOM 47 OH TYR A 3 0.148 2.813 6.496 1.00 0.00 O +ATOM 48 H TYR A 3 -4.583 4.306 0.272 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.473 2.651 1.067 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.978 4.449 2.299 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.828 3.055 2.899 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.469 1.267 4.176 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.865 5.144 3.155 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.699 0.996 5.909 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.106 4.866 4.894 1.00 0.00 H +ATOM 56 HH TYR A 3 -0.189 2.359 7.268 1.00 0.00 H +ATOM 57 N ILE A 4 -5.316 0.983 0.838 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.917 -0.354 0.736 1.00 0.00 C +ATOM 59 C ILE A 4 -5.164 -1.204 -0.302 1.00 0.00 C +ATOM 60 O ILE A 4 -4.740 -2.313 0.009 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.431 -0.260 0.419 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.188 0.682 1.392 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.073 -1.658 0.464 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.662 1.967 0.703 1.00 0.00 C +ATOM 65 H ILE A 4 -5.883 1.784 0.606 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.806 -0.849 1.701 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.550 0.118 -0.599 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.043 0.163 1.781 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.554 0.946 2.240 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.627 -2.311 -0.285 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.939 -2.102 1.451 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.141 -1.582 0.251 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.826 2.470 0.218 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.419 1.723 -0.045 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.102 2.636 1.442 1.00 0.00 H +ATOM 76 N GLN A 5 -4.951 -0.669 -1.512 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.159 -1.301 -2.575 1.00 0.00 C +ATOM 78 C GLN A 5 -2.710 -1.563 -2.137 1.00 0.00 C +ATOM 79 O GLN A 5 -2.195 -2.659 -2.357 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.205 -0.425 -3.844 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.431 -0.707 -4.723 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.229 -1.914 -5.660 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.748 -2.967 -5.270 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -5.591 -1.783 -6.912 1.00 0.00 N +ATOM 85 H GLN A 5 -5.269 0.277 -1.662 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.597 -2.273 -2.805 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.227 0.606 -3.547 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.305 -0.586 -4.439 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -6.272 -0.904 -4.086 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.620 0.176 -5.336 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -6.009 -0.948 -7.281 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -5.424 -2.601 -7.488 1.00 0.00 H +ATOM 93 N TRP A 6 -2.061 -0.590 -1.483 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.707 -0.761 -0.942 1.00 0.00 C +ATOM 95 C TRP A 6 -0.625 -1.886 0.103 1.00 0.00 C +ATOM 96 O TRP A 6 0.254 -2.748 0.014 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.203 0.570 -0.378 1.00 0.00 C +ATOM 98 CG TRP A 6 1.188 0.516 0.176 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.328 0.543 -0.554 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.611 0.411 1.571 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.420 0.431 0.286 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.036 0.358 1.604 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.941 0.370 2.813 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.764 0.276 2.797 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.660 0.285 4.021 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.067 0.241 4.016 1.00 0.00 C +ATOM 107 H TRP A 6 -2.536 0.304 -1.365 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.047 -1.048 -1.761 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.223 1.298 -1.166 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.876 0.904 0.412 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.371 0.637 -1.631 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.399 0.438 -0.005 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.139 0.419 2.832 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.843 0.240 2.765 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.130 0.269 4.964 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.612 0.191 4.946 1.00 0.00 H +ATOM 117 N LEU A 7 -1.566 -1.931 1.058 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.690 -3.054 1.991 1.00 0.00 C +ATOM 119 C LEU A 7 -1.955 -4.378 1.260 1.00 0.00 C +ATOM 120 O LEU A 7 -1.318 -5.376 1.595 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.786 -2.777 3.037 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.391 -1.764 4.129 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.612 -1.492 5.013 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.258 -2.274 5.027 1.00 0.00 C +ATOM 125 H LEU A 7 -2.249 -1.176 1.107 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.737 -3.180 2.499 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.649 -2.397 2.525 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -3.042 -3.717 3.527 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.078 -0.829 3.669 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.419 -1.078 4.410 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.953 -2.420 5.476 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.357 -0.782 5.798 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.530 -3.234 5.465 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.339 -2.386 4.455 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -1.069 -1.559 5.827 1.00 0.00 H +ATOM 136 N LYS A 8 -2.824 -4.393 0.234 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.130 -5.587 -0.573 1.00 0.00 C +ATOM 138 C LYS A 8 -1.901 -6.192 -1.263 1.00 0.00 C +ATOM 139 O LYS A 8 -1.908 -7.378 -1.579 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.203 -5.259 -1.628 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.048 -6.490 -2.013 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.129 -6.766 -3.523 1.00 0.00 C +ATOM 143 CE LYS A 8 -3.903 -7.532 -4.050 1.00 0.00 C +ATOM 144 NZ LYS A 8 -2.952 -6.665 -4.790 1.00 0.00 N +ATOM 145 H LYS A 8 -3.348 -3.538 0.053 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.517 -6.346 0.108 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.855 -4.504 -1.233 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.725 -4.833 -2.511 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.619 -7.352 -1.538 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -6.060 -6.319 -1.647 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.009 -7.348 -3.720 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.287 -5.837 -4.075 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -3.389 -7.970 -3.216 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -4.260 -8.327 -4.710 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -3.417 -6.219 -5.569 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -2.573 -5.948 -4.185 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -2.177 -7.215 -5.141 1.00 0.00 H +ATOM 158 N ASP A 9 -0.868 -5.389 -1.528 1.00 0.00 N +ATOM 159 CA ASP A 9 0.415 -5.850 -2.062 1.00 0.00 C +ATOM 160 C ASP A 9 1.361 -6.433 -0.997 1.00 0.00 C +ATOM 161 O ASP A 9 2.393 -7.000 -1.356 1.00 0.00 O +ATOM 162 CB ASP A 9 1.128 -4.679 -2.755 1.00 0.00 C +ATOM 163 CG ASP A 9 1.821 -5.147 -4.033 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.092 -5.500 -4.985 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.071 -5.076 -4.089 1.00 0.00 O +ATOM 166 H ASP A 9 -0.983 -4.400 -1.335 1.00 0.00 H +ATOM 167 HA ASP A 9 0.222 -6.632 -2.802 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.407 -3.924 -3.002 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.858 -4.239 -2.072 1.00 0.00 H +ATOM 170 N GLY A 10 1.065 -6.245 0.295 1.00 0.00 N +ATOM 171 CA GLY A 10 1.887 -6.698 1.422 1.00 0.00 C +ATOM 172 C GLY A 10 2.425 -5.583 2.330 1.00 0.00 C +ATOM 173 O GLY A 10 3.181 -5.881 3.256 1.00 0.00 O +ATOM 174 H GLY A 10 0.187 -5.780 0.519 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.284 -7.365 2.037 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.742 -7.268 1.059 1.00 0.00 H +ATOM 177 N GLY A 11 2.061 -4.312 2.104 1.00 0.00 N +ATOM 178 CA GLY A 11 2.490 -3.202 2.957 1.00 0.00 C +ATOM 179 C GLY A 11 4.026 -3.036 2.995 1.00 0.00 C +ATOM 180 O GLY A 11 4.652 -3.007 1.932 1.00 0.00 O +ATOM 181 H GLY A 11 1.472 -4.098 1.305 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.054 -2.278 2.582 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.093 -3.382 3.955 1.00 0.00 H +ATOM 184 N PRO A 12 4.674 -2.922 4.179 1.00 0.00 N +ATOM 185 CA PRO A 12 6.124 -2.708 4.301 1.00 0.00 C +ATOM 186 C PRO A 12 7.022 -3.877 3.833 1.00 0.00 C +ATOM 187 O PRO A 12 8.218 -3.871 4.113 1.00 0.00 O +ATOM 188 CB PRO A 12 6.391 -2.376 5.780 1.00 0.00 C +ATOM 189 CG PRO A 12 5.023 -2.264 6.447 1.00 0.00 C +ATOM 190 CD PRO A 12 4.073 -2.998 5.504 1.00 0.00 C +ATOM 191 HA PRO A 12 6.387 -1.837 3.703 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.965 -3.158 6.239 1.00 0.00 H +ATOM 193 HB3 PRO A 12 6.935 -1.434 5.867 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.033 -2.731 7.413 1.00 0.00 H +ATOM 195 HG3 PRO A 12 4.734 -1.214 6.511 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.967 -4.022 5.806 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.094 -2.523 5.547 1.00 0.00 H +ATOM 198 N SER A 13 6.477 -4.893 3.152 1.00 0.00 N +ATOM 199 CA SER A 13 7.175 -6.119 2.726 1.00 0.00 C +ATOM 200 C SER A 13 7.263 -6.275 1.201 1.00 0.00 C +ATOM 201 O SER A 13 7.639 -7.338 0.711 1.00 0.00 O +ATOM 202 CB SER A 13 6.505 -7.331 3.383 1.00 0.00 C +ATOM 203 OG SER A 13 6.754 -7.284 4.773 1.00 0.00 O +ATOM 204 H SER A 13 5.498 -4.804 2.901 1.00 0.00 H +ATOM 205 HA SER A 13 8.208 -6.093 3.078 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.448 -7.301 3.204 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.916 -8.258 2.983 1.00 0.00 H +ATOM 208 HG SER A 13 6.699 -6.365 5.049 1.00 0.00 H +ATOM 209 N SER A 14 6.946 -5.213 0.448 1.00 0.00 N +ATOM 210 CA SER A 14 6.719 -5.256 -1.005 1.00 0.00 C +ATOM 211 C SER A 14 7.679 -4.357 -1.805 1.00 0.00 C +ATOM 212 O SER A 14 7.475 -4.156 -3.000 1.00 0.00 O +ATOM 213 CB SER A 14 5.251 -4.902 -1.299 1.00 0.00 C +ATOM 214 OG SER A 14 4.376 -5.610 -0.441 1.00 0.00 O +ATOM 215 H SER A 14 6.585 -4.411 0.948 1.00 0.00 H +ATOM 216 HA SER A 14 6.876 -6.275 -1.359 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.108 -3.848 -1.154 1.00 0.00 H +ATOM 218 HB3 SER A 14 5.023 -5.134 -2.341 1.00 0.00 H +ATOM 219 HG SER A 14 3.677 -6.081 -0.956 1.00 0.00 H +ATOM 220 N GLY A 15 8.709 -3.785 -1.159 1.00 0.00 N +ATOM 221 CA GLY A 15 9.714 -2.925 -1.800 1.00 0.00 C +ATOM 222 C GLY A 15 9.190 -1.564 -2.282 1.00 0.00 C +ATOM 223 O GLY A 15 9.812 -0.954 -3.149 1.00 0.00 O +ATOM 224 H GLY A 15 8.834 -4.046 -0.191 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.523 -2.738 -1.093 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.138 -3.448 -2.658 1.00 0.00 H +ATOM 227 N ARG A 16 8.055 -1.092 -1.742 1.00 0.00 N +ATOM 228 CA ARG A 16 7.352 0.126 -2.173 1.00 0.00 C +ATOM 229 C ARG A 16 6.879 0.975 -0.975 1.00 0.00 C +ATOM 230 O ARG A 16 6.283 0.422 -0.047 1.00 0.00 O +ATOM 231 CB ARG A 16 6.179 -0.250 -3.105 1.00 0.00 C +ATOM 232 CG ARG A 16 5.216 -1.290 -2.506 1.00 0.00 C +ATOM 233 CD ARG A 16 3.913 -1.453 -3.294 1.00 0.00 C +ATOM 234 NE ARG A 16 3.979 -2.564 -4.251 1.00 0.00 N +ATOM 235 CZ ARG A 16 4.099 -2.562 -5.568 1.00 0.00 C +ATOM 236 NH1 ARG A 16 4.326 -1.471 -6.261 1.00 0.00 N +ATOM 237 NH2 ARG A 16 3.956 -3.703 -6.191 1.00 0.00 N +ATOM 238 H ARG A 16 7.635 -1.646 -1.010 1.00 0.00 H +ATOM 239 HA ARG A 16 8.053 0.718 -2.760 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.622 0.641 -3.323 1.00 0.00 H +ATOM 241 HB3 ARG A 16 6.585 -0.650 -4.035 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.716 -2.239 -2.480 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.938 -1.000 -1.497 1.00 0.00 H +ATOM 244 HD2 ARG A 16 3.113 -1.638 -2.604 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.642 -0.518 -3.782 1.00 0.00 H +ATOM 246 HE ARG A 16 3.778 -3.506 -3.901 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.431 -0.607 -5.761 1.00 0.00 H +ATOM 248 HH12 ARG A 16 4.393 -1.513 -7.260 1.00 0.00 H +ATOM 249 HH21 ARG A 16 3.656 -4.483 -5.580 1.00 0.00 H +ATOM 250 HH22 ARG A 16 3.997 -3.809 -7.186 1.00 0.00 H +ATOM 251 N PRO A 17 7.088 2.308 -0.976 1.00 0.00 N +ATOM 252 CA PRO A 17 6.623 3.182 0.103 1.00 0.00 C +ATOM 253 C PRO A 17 5.085 3.329 0.103 1.00 0.00 C +ATOM 254 O PRO A 17 4.453 3.095 -0.930 1.00 0.00 O +ATOM 255 CB PRO A 17 7.322 4.523 -0.149 1.00 0.00 C +ATOM 256 CG PRO A 17 7.496 4.553 -1.666 1.00 0.00 C +ATOM 257 CD PRO A 17 7.747 3.086 -2.015 1.00 0.00 C +ATOM 258 HA PRO A 17 6.949 2.777 1.062 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.713 5.342 0.184 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.304 4.513 0.328 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.610 4.918 -2.148 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.331 5.187 -1.966 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.329 2.855 -2.976 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.819 2.881 -1.995 1.00 0.00 H +ATOM 265 N PRO A 18 4.472 3.730 1.236 1.00 0.00 N +ATOM 266 CA PRO A 18 3.027 3.921 1.331 1.00 0.00 C +ATOM 267 C PRO A 18 2.560 5.180 0.573 1.00 0.00 C +ATOM 268 O PRO A 18 3.278 6.182 0.545 1.00 0.00 O +ATOM 269 CB PRO A 18 2.729 4.033 2.829 1.00 0.00 C +ATOM 270 CG PRO A 18 4.024 4.603 3.406 1.00 0.00 C +ATOM 271 CD PRO A 18 5.103 3.976 2.524 1.00 0.00 C +ATOM 272 HA PRO A 18 2.530 3.041 0.935 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.904 4.696 3.008 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.555 3.040 3.241 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.040 5.673 3.332 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.152 4.336 4.455 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.931 4.649 2.412 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.423 3.028 2.956 1.00 0.00 H +ATOM 279 N PRO A 19 1.350 5.165 -0.019 1.00 0.00 N +ATOM 280 CA PRO A 19 0.784 6.306 -0.729 1.00 0.00 C +ATOM 281 C PRO A 19 0.140 7.315 0.240 1.00 0.00 C +ATOM 282 O PRO A 19 -0.739 6.964 1.032 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.244 5.698 -1.684 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.754 4.477 -0.918 1.00 0.00 C +ATOM 285 CD PRO A 19 0.472 4.010 -0.137 1.00 0.00 C +ATOM 286 HA PRO A 19 1.559 6.806 -1.311 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.041 6.389 -1.882 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.259 5.368 -2.595 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.552 4.747 -0.254 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.111 3.700 -1.593 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.182 3.664 0.836 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.986 3.234 -0.702 1.00 0.00 H +ATOM 293 N SER A 20 0.543 8.582 0.113 1.00 0.00 N +ATOM 294 CA SER A 20 0.016 9.748 0.833 1.00 0.00 C +ATOM 295 C SER A 20 -0.159 10.912 -0.134 1.00 0.00 C +ATOM 296 O SER A 20 -1.277 11.467 -0.133 1.00 0.00 O +ATOM 297 CB SER A 20 0.963 10.142 1.970 1.00 0.00 C +ATOM 298 OG SER A 20 0.800 9.241 3.044 1.00 0.00 O +ATOM 299 OXT SER A 20 0.816 11.191 -0.866 1.00 0.00 O +ATOM 300 H SER A 20 1.245 8.811 -0.579 1.00 0.00 H +ATOM 301 HA SER A 20 -0.972 9.534 1.233 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.977 10.105 1.621 1.00 0.00 H +ATOM 303 HB3 SER A 20 0.729 11.154 2.307 1.00 0.00 H +ATOM 304 HG SER A 20 -0.132 9.020 3.102 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 35 +ATOM 1 N ASN A 1 -5.868 7.107 0.465 1.00 0.00 N +ATOM 2 CA ASN A 1 -6.755 6.451 -0.528 1.00 0.00 C +ATOM 3 C ASN A 1 -6.147 5.130 -1.011 1.00 0.00 C +ATOM 4 O ASN A 1 -6.599 4.083 -0.564 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.175 7.413 -1.661 1.00 0.00 C +ATOM 6 CG ASN A 1 -8.572 7.064 -2.164 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -8.793 5.981 -2.676 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -9.552 7.938 -2.002 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.629 6.454 1.200 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.021 7.437 0.025 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.346 7.894 0.882 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.671 6.165 -0.007 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -7.174 8.419 -1.289 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -6.479 7.362 -2.498 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -9.433 8.852 -1.600 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -10.445 7.627 -2.351 1.00 0.00 H +ATOM 17 N LEU A 2 -5.067 5.159 -1.809 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.393 3.972 -2.370 1.00 0.00 C +ATOM 19 C LEU A 2 -3.815 2.986 -1.322 1.00 0.00 C +ATOM 20 O LEU A 2 -3.405 1.881 -1.670 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.318 4.475 -3.359 1.00 0.00 C +ATOM 22 CG LEU A 2 -2.775 3.391 -4.321 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -2.886 3.852 -5.776 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -1.305 3.059 -4.036 1.00 0.00 C +ATOM 25 H LEU A 2 -4.731 6.044 -2.158 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.136 3.416 -2.944 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.747 5.262 -3.949 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.496 4.924 -2.803 1.00 0.00 H +ATOM 29 HG LEU A 2 -3.366 2.482 -4.221 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -3.924 4.091 -6.007 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.264 4.732 -5.945 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -2.567 3.048 -6.440 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -0.682 3.941 -4.189 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -1.195 2.711 -3.010 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -0.974 2.268 -4.708 1.00 0.00 H +ATOM 36 N TYR A 3 -3.811 3.352 -0.033 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.274 2.565 1.082 1.00 0.00 C +ATOM 38 C TYR A 3 -3.871 1.151 1.162 1.00 0.00 C +ATOM 39 O TYR A 3 -3.162 0.203 1.485 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.498 3.331 2.395 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.474 3.026 3.471 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.556 1.845 4.232 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.445 3.950 3.728 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.614 1.596 5.250 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.515 3.719 4.759 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.602 2.538 5.524 1.00 0.00 C +ATOM 47 OH TYR A 3 0.272 2.308 6.543 1.00 0.00 O +ATOM 48 H TYR A 3 -4.199 4.255 0.180 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.199 2.466 0.933 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.461 4.382 2.183 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.496 3.115 2.779 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.347 1.135 4.044 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.383 4.866 3.163 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.662 0.704 5.850 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.238 4.465 4.970 1.00 0.00 H +ATOM 56 HH TYR A 3 0.748 3.106 6.781 1.00 0.00 H +ATOM 57 N ILE A 4 -5.156 0.994 0.814 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.850 -0.301 0.744 1.00 0.00 C +ATOM 59 C ILE A 4 -5.166 -1.221 -0.284 1.00 0.00 C +ATOM 60 O ILE A 4 -4.867 -2.383 0.001 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.341 -0.069 0.393 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.074 0.816 1.434 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.093 -1.407 0.261 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -9.121 1.725 0.775 1.00 0.00 C +ATOM 65 H ILE A 4 -5.666 1.828 0.551 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.792 -0.788 1.718 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.379 0.436 -0.575 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.565 0.180 2.146 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.376 1.460 1.967 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.735 -1.962 -0.606 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.943 -2.009 1.159 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.159 -1.227 0.131 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -8.623 2.466 0.151 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.802 1.138 0.157 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -9.693 2.241 1.546 1.00 0.00 H +ATOM 76 N GLN A 5 -4.893 -0.684 -1.479 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.220 -1.377 -2.577 1.00 0.00 C +ATOM 78 C GLN A 5 -2.743 -1.658 -2.245 1.00 0.00 C +ATOM 79 O GLN A 5 -2.248 -2.748 -2.519 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.380 -0.533 -3.859 1.00 0.00 C +ATOM 81 CG GLN A 5 -4.875 -1.373 -5.046 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.310 -0.493 -6.218 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -4.652 0.465 -6.592 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -6.447 -0.772 -6.830 1.00 0.00 N +ATOM 85 H GLN A 5 -5.079 0.301 -1.598 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.712 -2.339 -2.718 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -5.088 0.251 -3.671 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.433 -0.060 -4.120 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -4.081 -2.018 -5.371 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -5.728 -1.974 -4.725 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.033 -1.546 -6.574 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -6.664 -0.145 -7.586 1.00 0.00 H +ATOM 93 N TRP A 6 -2.061 -0.708 -1.593 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.699 -0.882 -1.080 1.00 0.00 C +ATOM 95 C TRP A 6 -0.600 -1.986 -0.008 1.00 0.00 C +ATOM 96 O TRP A 6 0.299 -2.830 -0.069 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.198 0.465 -0.550 1.00 0.00 C +ATOM 98 CG TRP A 6 1.182 0.437 0.022 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.329 0.427 -0.694 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.580 0.373 1.425 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.407 0.351 0.167 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.005 0.332 1.482 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.886 0.337 2.656 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.709 0.283 2.693 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.584 0.265 3.877 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.991 0.248 3.900 1.00 0.00 C +ATOM 107 H TRP A 6 -2.532 0.184 -1.455 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.054 -1.185 -1.905 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.210 1.168 -1.360 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.877 0.814 0.226 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.391 0.455 -1.774 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.385 0.314 -0.130 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.194 0.363 2.653 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.789 0.251 2.682 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.036 0.230 4.808 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.515 0.202 4.842 1.00 0.00 H +ATOM 117 N LEU A 7 -1.541 -2.027 0.949 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.640 -3.112 1.929 1.00 0.00 C +ATOM 119 C LEU A 7 -1.889 -4.468 1.261 1.00 0.00 C +ATOM 120 O LEU A 7 -1.238 -5.436 1.646 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.740 -2.826 2.968 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.343 -1.833 4.074 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.572 -1.572 4.953 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.217 -2.363 4.972 1.00 0.00 C +ATOM 125 H LEU A 7 -2.224 -1.274 0.990 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.682 -3.200 2.437 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.591 -2.427 2.451 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -3.015 -3.766 3.448 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.019 -0.896 3.626 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.372 -1.143 4.348 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.920 -2.504 5.398 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.325 -0.876 5.753 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.486 -3.340 5.377 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.290 -2.450 4.406 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -1.040 -1.673 5.795 1.00 0.00 H +ATOM 136 N LYS A 8 -2.770 -4.540 0.248 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.034 -5.773 -0.517 1.00 0.00 C +ATOM 138 C LYS A 8 -1.772 -6.426 -1.091 1.00 0.00 C +ATOM 139 O LYS A 8 -1.728 -7.650 -1.174 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.047 -5.506 -1.649 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.490 -5.877 -1.287 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.698 -7.403 -1.249 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.160 -7.768 -0.972 1.00 0.00 C +ATOM 144 NZ LYS A 8 -8.019 -7.558 -2.161 1.00 0.00 N +ATOM 145 H LYS A 8 -3.298 -3.699 0.023 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.441 -6.510 0.174 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.017 -4.461 -1.891 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.763 -6.070 -2.541 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.721 -5.471 -0.321 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -6.147 -5.448 -2.044 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.409 -7.817 -2.196 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.085 -7.829 -0.456 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -7.211 -8.801 -0.686 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.517 -7.163 -0.132 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -7.967 -6.595 -2.466 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.713 -8.153 -2.920 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -8.983 -7.781 -1.944 1.00 0.00 H +ATOM 158 N ASP A 9 -0.765 -5.631 -1.463 1.00 0.00 N +ATOM 159 CA ASP A 9 0.519 -6.121 -1.972 1.00 0.00 C +ATOM 160 C ASP A 9 1.445 -6.678 -0.865 1.00 0.00 C +ATOM 161 O ASP A 9 2.350 -7.452 -1.161 1.00 0.00 O +ATOM 162 CB ASP A 9 1.192 -4.971 -2.744 1.00 0.00 C +ATOM 163 CG ASP A 9 2.106 -5.477 -3.863 1.00 0.00 C +ATOM 164 OD1 ASP A 9 1.541 -5.942 -4.878 1.00 0.00 O +ATOM 165 OD2 ASP A 9 3.339 -5.352 -3.715 1.00 0.00 O +ATOM 166 H ASP A 9 -0.913 -4.632 -1.417 1.00 0.00 H +ATOM 167 HA ASP A 9 0.324 -6.932 -2.676 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.429 -4.352 -3.175 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.743 -4.334 -2.055 1.00 0.00 H +ATOM 170 N GLY A 10 1.199 -6.324 0.409 1.00 0.00 N +ATOM 171 CA GLY A 10 2.035 -6.695 1.561 1.00 0.00 C +ATOM 172 C GLY A 10 2.549 -5.516 2.405 1.00 0.00 C +ATOM 173 O GLY A 10 3.396 -5.721 3.280 1.00 0.00 O +ATOM 174 H GLY A 10 0.336 -5.822 0.592 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.449 -7.339 2.217 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.902 -7.263 1.226 1.00 0.00 H +ATOM 177 N GLY A 11 2.066 -4.289 2.167 1.00 0.00 N +ATOM 178 CA GLY A 11 2.482 -3.079 2.879 1.00 0.00 C +ATOM 179 C GLY A 11 4.013 -2.881 2.908 1.00 0.00 C +ATOM 180 O GLY A 11 4.621 -2.749 1.846 1.00 0.00 O +ATOM 181 H GLY A 11 1.409 -4.178 1.404 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.044 -2.219 2.376 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.076 -3.118 3.887 1.00 0.00 H +ATOM 184 N PRO A 12 4.676 -2.846 4.086 1.00 0.00 N +ATOM 185 CA PRO A 12 6.134 -2.696 4.170 1.00 0.00 C +ATOM 186 C PRO A 12 6.928 -3.774 3.419 1.00 0.00 C +ATOM 187 O PRO A 12 8.047 -3.516 2.983 1.00 0.00 O +ATOM 188 CB PRO A 12 6.477 -2.732 5.665 1.00 0.00 C +ATOM 189 CG PRO A 12 5.171 -2.350 6.354 1.00 0.00 C +ATOM 190 CD PRO A 12 4.103 -2.919 5.422 1.00 0.00 C +ATOM 191 HA PRO A 12 6.404 -1.720 3.765 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.791 -3.715 5.961 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.280 -2.035 5.906 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.107 -2.794 7.329 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.083 -1.262 6.389 1.00 0.00 H +ATOM 196 HD2 PRO A 12 3.883 -3.937 5.681 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.191 -2.329 5.510 1.00 0.00 H +ATOM 198 N SER A 13 6.360 -4.977 3.249 1.00 0.00 N +ATOM 199 CA SER A 13 7.010 -6.099 2.562 1.00 0.00 C +ATOM 200 C SER A 13 6.911 -6.017 1.027 1.00 0.00 C +ATOM 201 O SER A 13 7.428 -6.898 0.345 1.00 0.00 O +ATOM 202 CB SER A 13 6.444 -7.423 3.092 1.00 0.00 C +ATOM 203 OG SER A 13 6.672 -7.521 4.489 1.00 0.00 O +ATOM 204 H SER A 13 5.417 -5.134 3.594 1.00 0.00 H +ATOM 205 HA SER A 13 8.075 -6.080 2.799 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.389 -7.461 2.900 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.937 -8.259 2.596 1.00 0.00 H +ATOM 208 HG SER A 13 7.611 -7.422 4.660 1.00 0.00 H +ATOM 209 N SER A 14 6.292 -4.962 0.480 1.00 0.00 N +ATOM 210 CA SER A 14 6.048 -4.754 -0.957 1.00 0.00 C +ATOM 211 C SER A 14 7.176 -4.018 -1.697 1.00 0.00 C +ATOM 212 O SER A 14 7.059 -3.747 -2.892 1.00 0.00 O +ATOM 213 CB SER A 14 4.777 -3.919 -1.127 1.00 0.00 C +ATOM 214 OG SER A 14 3.709 -4.470 -0.389 1.00 0.00 O +ATOM 215 H SER A 14 5.828 -4.305 1.101 1.00 0.00 H +ATOM 216 HA SER A 14 5.888 -5.719 -1.440 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.964 -2.920 -0.782 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.508 -3.877 -2.181 1.00 0.00 H +ATOM 219 HG SER A 14 2.926 -3.939 -0.562 1.00 0.00 H +ATOM 220 N GLY A 15 8.243 -3.596 -1.007 1.00 0.00 N +ATOM 221 CA GLY A 15 9.361 -2.835 -1.585 1.00 0.00 C +ATOM 222 C GLY A 15 9.056 -1.352 -1.859 1.00 0.00 C +ATOM 223 O GLY A 15 9.930 -0.509 -1.670 1.00 0.00 O +ATOM 224 H GLY A 15 8.265 -3.821 -0.022 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.215 -2.889 -0.911 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.653 -3.296 -2.529 1.00 0.00 H +ATOM 227 N ARG A 16 7.831 -1.015 -2.290 1.00 0.00 N +ATOM 228 CA ARG A 16 7.367 0.368 -2.493 1.00 0.00 C +ATOM 229 C ARG A 16 6.877 0.999 -1.170 1.00 0.00 C +ATOM 230 O ARG A 16 6.119 0.344 -0.451 1.00 0.00 O +ATOM 231 CB ARG A 16 6.250 0.369 -3.554 1.00 0.00 C +ATOM 232 CG ARG A 16 5.874 1.792 -3.992 1.00 0.00 C +ATOM 233 CD ARG A 16 4.768 1.802 -5.052 1.00 0.00 C +ATOM 234 NE ARG A 16 4.592 3.152 -5.624 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.342 3.725 -6.562 1.00 0.00 C +ATOM 236 NH1 ARG A 16 6.353 3.099 -7.118 1.00 0.00 N +ATOM 237 NH2 ARG A 16 5.089 4.951 -6.960 1.00 0.00 N +ATOM 238 H ARG A 16 7.202 -1.790 -2.478 1.00 0.00 H +ATOM 239 HA ARG A 16 8.215 0.937 -2.874 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.587 -0.180 -4.412 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.369 -0.141 -3.162 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.534 2.339 -3.134 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.762 2.274 -4.401 1.00 0.00 H +ATOM 244 HD2 ARG A 16 5.029 1.120 -5.838 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.833 1.483 -4.587 1.00 0.00 H +ATOM 246 HE ARG A 16 3.843 3.705 -5.240 1.00 0.00 H +ATOM 247 HH11 ARG A 16 6.545 2.161 -6.819 1.00 0.00 H +ATOM 248 HH12 ARG A 16 6.918 3.536 -7.824 1.00 0.00 H +ATOM 249 HH21 ARG A 16 4.328 5.470 -6.560 1.00 0.00 H +ATOM 250 HH22 ARG A 16 5.659 5.373 -7.669 1.00 0.00 H +ATOM 251 N PRO A 17 7.221 2.269 -0.859 1.00 0.00 N +ATOM 252 CA PRO A 17 6.705 2.983 0.318 1.00 0.00 C +ATOM 253 C PRO A 17 5.183 3.245 0.249 1.00 0.00 C +ATOM 254 O PRO A 17 4.594 3.146 -0.833 1.00 0.00 O +ATOM 255 CB PRO A 17 7.498 4.298 0.370 1.00 0.00 C +ATOM 256 CG PRO A 17 7.885 4.544 -1.084 1.00 0.00 C +ATOM 257 CD PRO A 17 8.134 3.131 -1.601 1.00 0.00 C +ATOM 258 HA PRO A 17 6.917 2.397 1.214 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.889 5.098 0.744 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.399 4.155 0.967 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.088 5.020 -1.623 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.772 5.172 -1.170 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.928 3.076 -2.653 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.163 2.835 -1.385 1.00 0.00 H +ATOM 265 N PRO A 18 4.535 3.602 1.379 1.00 0.00 N +ATOM 266 CA PRO A 18 3.098 3.869 1.415 1.00 0.00 C +ATOM 267 C PRO A 18 2.719 5.165 0.669 1.00 0.00 C +ATOM 268 O PRO A 18 3.544 6.071 0.542 1.00 0.00 O +ATOM 269 CB PRO A 18 2.731 3.957 2.902 1.00 0.00 C +ATOM 270 CG PRO A 18 4.030 4.415 3.560 1.00 0.00 C +ATOM 271 CD PRO A 18 5.106 3.739 2.712 1.00 0.00 C +ATOM 272 HA PRO A 18 2.577 3.026 0.967 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.947 4.671 3.062 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.465 2.968 3.271 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.125 5.483 3.523 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.086 4.106 4.605 1.00 0.00 H +ATOM 277 HD2 PRO A 18 5.991 4.345 2.679 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.326 2.749 3.115 1.00 0.00 H +ATOM 279 N PRO A 19 1.459 5.284 0.203 1.00 0.00 N +ATOM 280 CA PRO A 19 0.978 6.448 -0.545 1.00 0.00 C +ATOM 281 C PRO A 19 0.572 7.643 0.336 1.00 0.00 C +ATOM 282 O PRO A 19 0.552 8.771 -0.151 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.242 5.929 -1.311 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.801 4.845 -0.388 1.00 0.00 C +ATOM 285 CD PRO A 19 0.449 4.236 0.235 1.00 0.00 C +ATOM 286 HA PRO A 19 1.734 6.784 -1.254 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.960 6.711 -1.465 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.084 5.476 -2.248 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.437 5.271 0.364 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.352 4.094 -0.947 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.254 3.936 1.246 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.782 3.395 -0.374 1.00 0.00 H +ATOM 293 N SER A 20 0.203 7.390 1.598 1.00 0.00 N +ATOM 294 CA SER A 20 -0.287 8.373 2.572 1.00 0.00 C +ATOM 295 C SER A 20 -0.081 7.848 3.993 1.00 0.00 C +ATOM 296 O SER A 20 -0.913 6.978 4.355 1.00 0.00 O +ATOM 297 CB SER A 20 -1.774 8.674 2.311 1.00 0.00 C +ATOM 298 OG SER A 20 -2.506 7.508 2.636 1.00 0.00 O +ATOM 299 OXT SER A 20 0.876 8.292 4.654 1.00 0.00 O +ATOM 300 H SER A 20 0.248 6.431 1.907 1.00 0.00 H +ATOM 301 HA SER A 20 0.288 9.295 2.477 1.00 0.00 H +ATOM 302 HB2 SER A 20 -2.096 9.492 2.926 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.935 8.957 1.270 1.00 0.00 H +ATOM 304 HG SER A 20 -1.946 7.163 3.425 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 36 +ATOM 1 N ASN A 1 -8.345 5.007 0.601 1.00 0.00 N +ATOM 2 CA ASN A 1 -8.415 4.187 -0.632 1.00 0.00 C +ATOM 3 C ASN A 1 -7.045 3.669 -1.059 1.00 0.00 C +ATOM 4 O ASN A 1 -6.816 2.479 -0.901 1.00 0.00 O +ATOM 5 CB ASN A 1 -9.197 4.893 -1.758 1.00 0.00 C +ATOM 6 CG ASN A 1 -10.643 5.166 -1.337 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -10.996 4.994 -0.179 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -11.503 5.612 -2.232 1.00 0.00 N +ATOM 9 H1 ASN A 1 -7.873 4.502 1.338 1.00 0.00 H +ATOM 10 H2 ASN A 1 -7.870 5.880 0.423 1.00 0.00 H +ATOM 11 H3 ASN A 1 -9.297 5.207 0.895 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.987 3.291 -0.382 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.717 5.825 -1.987 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -9.208 4.248 -2.640 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -11.263 5.791 -3.194 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -12.436 5.760 -1.880 1.00 0.00 H +ATOM 17 N LEU A 2 -6.121 4.518 -1.533 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.809 4.093 -2.051 1.00 0.00 C +ATOM 19 C LEU A 2 -4.031 3.175 -1.085 1.00 0.00 C +ATOM 20 O LEU A 2 -3.434 2.185 -1.506 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.963 5.337 -2.400 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.300 6.102 -3.694 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -4.155 5.211 -4.929 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -5.687 6.754 -3.691 1.00 0.00 C +ATOM 25 H LEU A 2 -6.348 5.491 -1.680 1.00 0.00 H +ATOM 26 HA LEU A 2 -4.967 3.507 -2.957 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -4.062 6.029 -1.586 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.931 5.009 -2.510 1.00 0.00 H +ATOM 29 HG LEU A 2 -3.568 6.906 -3.783 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -3.189 4.708 -4.910 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -4.950 4.465 -4.963 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.210 5.824 -5.829 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -6.467 5.996 -3.738 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -5.803 7.376 -2.804 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -5.778 7.392 -4.570 1.00 0.00 H +ATOM 36 N TYR A 3 -4.080 3.473 0.219 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.443 2.669 1.265 1.00 0.00 C +ATOM 38 C TYR A 3 -3.970 1.221 1.326 1.00 0.00 C +ATOM 39 O TYR A 3 -3.220 0.316 1.685 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.618 3.386 2.614 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.451 3.202 3.563 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.336 2.022 4.319 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -1.484 4.220 3.700 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.266 1.859 5.218 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -0.422 4.070 4.610 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.314 2.887 5.374 1.00 0.00 C +ATOM 47 OH TYR A 3 0.689 2.738 6.281 1.00 0.00 O +ATOM 48 H TYR A 3 -4.533 4.332 0.484 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.376 2.623 1.045 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -3.738 4.435 2.426 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.533 3.034 3.097 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.073 1.242 4.208 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -1.561 5.130 3.117 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.168 0.961 5.808 1.00 0.00 H +ATOM 55 HE2 TYR A 3 0.304 4.861 4.721 1.00 0.00 H +ATOM 56 HH TYR A 3 1.122 3.570 6.477 1.00 0.00 H +ATOM 57 N ILE A 4 -5.233 0.982 0.940 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.848 -0.352 0.877 1.00 0.00 C +ATOM 59 C ILE A 4 -5.163 -1.178 -0.214 1.00 0.00 C +ATOM 60 O ILE A 4 -4.701 -2.283 0.059 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.377 -0.269 0.636 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.108 0.711 1.586 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -8.024 -1.663 0.703 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.003 0.381 3.081 1.00 0.00 C +ATOM 65 H ILE A 4 -5.759 1.748 0.533 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.674 -0.861 1.826 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.542 0.099 -0.378 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -7.695 1.690 1.433 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -9.164 0.739 1.316 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.622 -2.307 -0.080 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.834 -2.127 1.670 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.101 -1.579 0.552 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -8.525 -0.550 3.300 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -6.959 0.295 3.382 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.466 1.184 3.656 1.00 0.00 H +ATOM 76 N GLN A 5 -5.052 -0.619 -1.428 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.299 -1.207 -2.540 1.00 0.00 C +ATOM 78 C GLN A 5 -2.854 -1.505 -2.123 1.00 0.00 C +ATOM 79 O GLN A 5 -2.421 -2.646 -2.248 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.364 -0.280 -3.767 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.703 -0.407 -4.512 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.997 0.832 -5.354 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -6.747 1.710 -4.957 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -5.409 0.958 -6.528 1.00 0.00 N +ATOM 85 H GLN A 5 -5.422 0.315 -1.546 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.752 -2.163 -2.806 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.243 0.735 -3.441 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.560 -0.532 -4.460 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.663 -1.264 -5.156 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.516 -0.529 -3.797 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -4.765 0.277 -6.894 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -5.664 1.794 -7.028 1.00 0.00 H +ATOM 93 N TRP A 6 -2.139 -0.521 -1.559 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.764 -0.708 -1.080 1.00 0.00 C +ATOM 95 C TRP A 6 -0.621 -1.821 -0.023 1.00 0.00 C +ATOM 96 O TRP A 6 0.282 -2.655 -0.123 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.226 0.624 -0.556 1.00 0.00 C +ATOM 98 CG TRP A 6 1.177 0.552 -0.041 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.291 0.506 -0.805 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.636 0.472 1.346 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.401 0.391 0.008 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.059 0.386 1.338 1.00 0.00 C +ATOM 103 CE3 TRP A 6 1.004 0.469 2.607 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.822 0.325 2.511 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.758 0.393 3.795 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.163 0.337 3.750 1.00 0.00 C +ATOM 107 H TRP A 6 -2.566 0.400 -1.493 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.148 -1.012 -1.929 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.256 1.338 -1.356 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.872 0.979 0.246 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.305 0.538 -1.888 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.371 0.349 -0.315 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.074 0.535 2.657 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.900 0.268 2.446 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.258 0.397 4.753 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.733 0.301 4.667 1.00 0.00 H +ATOM 117 N LEU A 7 -1.520 -1.885 0.971 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.546 -3.008 1.915 1.00 0.00 C +ATOM 119 C LEU A 7 -1.821 -4.345 1.210 1.00 0.00 C +ATOM 120 O LEU A 7 -1.199 -5.346 1.565 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.568 -2.758 3.038 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.110 -1.733 4.094 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.291 -1.398 5.011 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -0.966 -2.250 4.977 1.00 0.00 C +ATOM 125 H LEU A 7 -2.224 -1.155 1.053 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.553 -3.100 2.352 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.476 -2.399 2.593 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.769 -3.700 3.549 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.780 -0.823 3.598 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.097 -0.955 4.426 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.659 -2.303 5.495 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.979 -0.690 5.779 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.320 -3.059 5.617 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.139 -2.614 4.372 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.594 -1.440 5.602 1.00 0.00 H +ATOM 136 N LYS A 8 -2.683 -4.366 0.182 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.015 -5.563 -0.608 1.00 0.00 C +ATOM 138 C LYS A 8 -1.848 -6.159 -1.409 1.00 0.00 C +ATOM 139 O LYS A 8 -1.978 -7.286 -1.891 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.151 -5.246 -1.594 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.168 -6.394 -1.663 1.00 0.00 C +ATOM 142 CD LYS A 8 -5.900 -6.429 -3.012 1.00 0.00 C +ATOM 143 CE LYS A 8 -5.280 -7.448 -3.983 1.00 0.00 C +ATOM 144 NZ LYS A 8 -3.846 -7.183 -4.280 1.00 0.00 N +ATOM 145 H LYS A 8 -3.170 -3.498 -0.036 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.348 -6.330 0.093 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.653 -4.353 -1.273 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.719 -5.054 -2.577 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -4.651 -7.324 -1.524 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.894 -6.248 -0.863 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.926 -6.694 -2.842 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -5.919 -5.435 -3.463 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -5.363 -8.426 -3.549 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -5.865 -7.435 -4.907 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -3.724 -6.252 -4.654 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -3.274 -7.269 -3.437 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -3.500 -7.847 -4.959 1.00 0.00 H +ATOM 158 N ASP A 9 -0.761 -5.409 -1.606 1.00 0.00 N +ATOM 159 CA ASP A 9 0.518 -5.887 -2.146 1.00 0.00 C +ATOM 160 C ASP A 9 1.477 -6.413 -1.062 1.00 0.00 C +ATOM 161 O ASP A 9 2.507 -6.993 -1.402 1.00 0.00 O +ATOM 162 CB ASP A 9 1.203 -4.746 -2.916 1.00 0.00 C +ATOM 163 CG ASP A 9 0.565 -4.528 -4.288 1.00 0.00 C +ATOM 164 OD1 ASP A 9 0.935 -5.288 -5.208 1.00 0.00 O +ATOM 165 OD2 ASP A 9 -0.287 -3.621 -4.405 1.00 0.00 O +ATOM 166 H ASP A 9 -0.838 -4.424 -1.369 1.00 0.00 H +ATOM 167 HA ASP A 9 0.340 -6.709 -2.843 1.00 0.00 H +ATOM 168 HB2 ASP A 9 1.118 -3.841 -2.345 1.00 0.00 H +ATOM 169 HB3 ASP A 9 2.251 -4.998 -3.073 1.00 0.00 H +ATOM 170 N GLY A 10 1.166 -6.210 0.226 1.00 0.00 N +ATOM 171 CA GLY A 10 1.990 -6.622 1.367 1.00 0.00 C +ATOM 172 C GLY A 10 2.542 -5.464 2.208 1.00 0.00 C +ATOM 173 O GLY A 10 3.334 -5.711 3.115 1.00 0.00 O +ATOM 174 H GLY A 10 0.272 -5.773 0.437 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.386 -7.249 2.021 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.837 -7.217 1.024 1.00 0.00 H +ATOM 177 N GLY A 11 2.159 -4.210 1.925 1.00 0.00 N +ATOM 178 CA GLY A 11 2.661 -3.046 2.655 1.00 0.00 C +ATOM 179 C GLY A 11 4.200 -2.979 2.631 1.00 0.00 C +ATOM 180 O GLY A 11 4.782 -3.116 1.550 1.00 0.00 O +ATOM 181 H GLY A 11 1.535 -4.045 1.144 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.267 -2.143 2.192 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.290 -3.099 3.676 1.00 0.00 H +ATOM 184 N PRO A 12 4.884 -2.799 3.785 1.00 0.00 N +ATOM 185 CA PRO A 12 6.347 -2.733 3.841 1.00 0.00 C +ATOM 186 C PRO A 12 7.047 -3.937 3.195 1.00 0.00 C +ATOM 187 O PRO A 12 8.110 -3.775 2.595 1.00 0.00 O +ATOM 188 CB PRO A 12 6.717 -2.624 5.327 1.00 0.00 C +ATOM 189 CG PRO A 12 5.445 -2.101 5.991 1.00 0.00 C +ATOM 190 CD PRO A 12 4.334 -2.698 5.130 1.00 0.00 C +ATOM 191 HA PRO A 12 6.671 -1.826 3.329 1.00 0.00 H +ATOM 192 HB2 PRO A 12 6.987 -3.584 5.724 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.555 -1.942 5.483 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.372 -2.442 7.006 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.418 -1.013 5.926 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.059 -3.669 5.495 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.452 -2.058 5.170 1.00 0.00 H +ATOM 198 N SER A 13 6.446 -5.136 3.263 1.00 0.00 N +ATOM 199 CA SER A 13 7.011 -6.363 2.690 1.00 0.00 C +ATOM 200 C SER A 13 7.149 -6.316 1.165 1.00 0.00 C +ATOM 201 O SER A 13 7.983 -7.035 0.623 1.00 0.00 O +ATOM 202 CB SER A 13 6.153 -7.573 3.073 1.00 0.00 C +ATOM 203 OG SER A 13 6.053 -7.692 4.480 1.00 0.00 O +ATOM 204 H SER A 13 5.546 -5.219 3.725 1.00 0.00 H +ATOM 205 HA SER A 13 8.010 -6.507 3.102 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.170 -7.453 2.659 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.605 -8.481 2.668 1.00 0.00 H +ATOM 208 HG SER A 13 6.911 -7.936 4.835 1.00 0.00 H +ATOM 209 N SER A 14 6.381 -5.460 0.473 1.00 0.00 N +ATOM 210 CA SER A 14 6.506 -5.250 -0.977 1.00 0.00 C +ATOM 211 C SER A 14 7.628 -4.264 -1.351 1.00 0.00 C +ATOM 212 O SER A 14 7.865 -4.012 -2.530 1.00 0.00 O +ATOM 213 CB SER A 14 5.167 -4.770 -1.558 1.00 0.00 C +ATOM 214 OG SER A 14 4.894 -5.465 -2.757 1.00 0.00 O +ATOM 215 H SER A 14 5.734 -4.866 0.986 1.00 0.00 H +ATOM 216 HA SER A 14 6.748 -6.210 -1.440 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.383 -4.958 -0.850 1.00 0.00 H +ATOM 218 HB3 SER A 14 5.209 -3.700 -1.766 1.00 0.00 H +ATOM 219 HG SER A 14 3.943 -5.622 -2.814 1.00 0.00 H +ATOM 220 N GLY A 15 8.305 -3.650 -0.369 1.00 0.00 N +ATOM 221 CA GLY A 15 9.425 -2.723 -0.566 1.00 0.00 C +ATOM 222 C GLY A 15 9.041 -1.328 -1.080 1.00 0.00 C +ATOM 223 O GLY A 15 9.718 -0.356 -0.750 1.00 0.00 O +ATOM 224 H GLY A 15 8.061 -3.868 0.595 1.00 0.00 H +ATOM 225 HA2 GLY A 15 9.946 -2.602 0.385 1.00 0.00 H +ATOM 226 HA3 GLY A 15 10.124 -3.163 -1.277 1.00 0.00 H +ATOM 227 N ARG A 16 7.963 -1.202 -1.869 1.00 0.00 N +ATOM 228 CA ARG A 16 7.437 0.089 -2.339 1.00 0.00 C +ATOM 229 C ARG A 16 6.901 0.917 -1.155 1.00 0.00 C +ATOM 230 O ARG A 16 6.143 0.369 -0.352 1.00 0.00 O +ATOM 231 CB ARG A 16 6.345 -0.153 -3.399 1.00 0.00 C +ATOM 232 CG ARG A 16 6.052 1.130 -4.193 1.00 0.00 C +ATOM 233 CD ARG A 16 5.045 0.908 -5.333 1.00 0.00 C +ATOM 234 NE ARG A 16 5.431 1.681 -6.532 1.00 0.00 N +ATOM 235 CZ ARG A 16 5.978 1.218 -7.653 1.00 0.00 C +ATOM 236 NH1 ARG A 16 6.157 -0.064 -7.871 1.00 0.00 N +ATOM 237 NH2 ARG A 16 6.370 2.053 -8.588 1.00 0.00 N +ATOM 238 H ARG A 16 7.514 -2.068 -2.147 1.00 0.00 H +ATOM 239 HA ARG A 16 8.272 0.615 -2.801 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.677 -0.916 -4.076 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.432 -0.513 -2.923 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.653 1.865 -3.521 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.992 1.485 -4.616 1.00 0.00 H +ATOM 244 HD2 ARG A 16 5.018 -0.136 -5.581 1.00 0.00 H +ATOM 245 HD3 ARG A 16 4.058 1.230 -4.997 1.00 0.00 H +ATOM 246 HE ARG A 16 5.320 2.679 -6.467 1.00 0.00 H +ATOM 247 HH11 ARG A 16 5.847 -0.713 -7.171 1.00 0.00 H +ATOM 248 HH12 ARG A 16 6.562 -0.400 -8.725 1.00 0.00 H +ATOM 249 HH21 ARG A 16 6.273 3.046 -8.463 1.00 0.00 H +ATOM 250 HH22 ARG A 16 6.787 1.699 -9.428 1.00 0.00 H +ATOM 251 N PRO A 17 7.223 2.224 -1.040 1.00 0.00 N +ATOM 252 CA PRO A 17 6.725 3.069 0.048 1.00 0.00 C +ATOM 253 C PRO A 17 5.198 3.267 -0.012 1.00 0.00 C +ATOM 254 O PRO A 17 4.600 3.082 -1.075 1.00 0.00 O +ATOM 255 CB PRO A 17 7.472 4.402 -0.100 1.00 0.00 C +ATOM 256 CG PRO A 17 7.803 4.461 -1.589 1.00 0.00 C +ATOM 257 CD PRO A 17 8.084 2.999 -1.923 1.00 0.00 C +ATOM 258 HA PRO A 17 6.988 2.611 1.003 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.847 5.226 0.187 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.397 4.366 0.477 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.973 4.836 -2.156 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.662 5.098 -1.791 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.847 2.797 -2.950 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.128 2.763 -1.708 1.00 0.00 H +ATOM 265 N PRO A 18 4.558 3.663 1.109 1.00 0.00 N +ATOM 266 CA PRO A 18 3.118 3.895 1.157 1.00 0.00 C +ATOM 267 C PRO A 18 2.704 5.139 0.350 1.00 0.00 C +ATOM 268 O PRO A 18 3.494 6.075 0.206 1.00 0.00 O +ATOM 269 CB PRO A 18 2.775 4.055 2.641 1.00 0.00 C +ATOM 270 CG PRO A 18 4.071 4.582 3.251 1.00 0.00 C +ATOM 271 CD PRO A 18 5.151 3.896 2.419 1.00 0.00 C +ATOM 272 HA PRO A 18 2.608 3.020 0.760 1.00 0.00 H +ATOM 273 HB2 PRO A 18 1.974 4.756 2.776 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.543 3.080 3.070 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.134 5.649 3.159 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.154 4.332 4.308 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.013 4.529 2.331 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.412 2.939 2.872 1.00 0.00 H +ATOM 279 N PRO A 19 1.454 5.184 -0.142 1.00 0.00 N +ATOM 280 CA PRO A 19 0.910 6.335 -0.849 1.00 0.00 C +ATOM 281 C PRO A 19 0.561 7.461 0.136 1.00 0.00 C +ATOM 282 O PRO A 19 -0.109 7.228 1.144 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.325 5.804 -1.578 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.816 4.675 -0.671 1.00 0.00 C +ATOM 285 CD PRO A 19 0.464 4.121 -0.057 1.00 0.00 C +ATOM 286 HA PRO A 19 1.631 6.703 -1.581 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.071 6.569 -1.676 1.00 0.00 H +ATOM 288 HB3 PRO A 19 -0.024 5.388 -2.541 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.472 5.053 0.089 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.335 3.905 -1.236 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.297 3.850 0.968 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.811 3.272 -0.645 1.00 0.00 H +ATOM 293 N SER A 20 1.026 8.673 -0.178 1.00 0.00 N +ATOM 294 CA SER A 20 0.698 9.933 0.494 1.00 0.00 C +ATOM 295 C SER A 20 -0.638 10.528 0.034 1.00 0.00 C +ATOM 296 O SER A 20 -1.052 10.270 -1.120 1.00 0.00 O +ATOM 297 CB SER A 20 1.845 10.928 0.290 1.00 0.00 C +ATOM 298 OG SER A 20 2.324 10.900 -1.046 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.231 11.239 0.875 1.00 0.00 O +ATOM 300 H SER A 20 1.554 8.807 -1.028 1.00 0.00 H +ATOM 301 HA SER A 20 0.586 9.752 1.561 1.00 0.00 H +ATOM 302 HB2 SER A 20 1.493 11.917 0.514 1.00 0.00 H +ATOM 303 HB3 SER A 20 2.664 10.654 0.959 1.00 0.00 H +ATOM 304 HG SER A 20 2.939 11.625 -1.177 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 37 +ATOM 1 N ASN A 1 -5.798 7.479 0.401 1.00 0.00 N +ATOM 2 CA ASN A 1 -6.588 7.022 -0.767 1.00 0.00 C +ATOM 3 C ASN A 1 -6.199 5.613 -1.207 1.00 0.00 C +ATOM 4 O ASN A 1 -7.021 4.713 -1.096 1.00 0.00 O +ATOM 5 CB ASN A 1 -6.557 8.030 -1.932 1.00 0.00 C +ATOM 6 CG ASN A 1 -7.956 8.586 -2.147 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -8.343 9.541 -1.498 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -8.767 7.973 -2.991 1.00 0.00 N +ATOM 9 H1 ASN A 1 -5.816 6.777 1.127 1.00 0.00 H +ATOM 10 H2 ASN A 1 -4.838 7.655 0.131 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.193 8.335 0.767 1.00 0.00 H +ATOM 12 HA ASN A 1 -7.627 6.938 -0.443 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -5.884 8.832 -1.696 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -6.214 7.562 -2.856 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -8.509 7.171 -3.541 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -9.676 8.400 -3.071 1.00 0.00 H +ATOM 17 N LEU A 2 -4.963 5.401 -1.676 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.527 4.127 -2.262 1.00 0.00 C +ATOM 19 C LEU A 2 -4.002 3.108 -1.223 1.00 0.00 C +ATOM 20 O LEU A 2 -3.490 2.051 -1.588 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.515 4.448 -3.386 1.00 0.00 C +ATOM 22 CG LEU A 2 -3.518 3.386 -4.508 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.924 3.985 -5.857 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -2.165 2.687 -4.652 1.00 0.00 C +ATOM 25 H LEU A 2 -4.310 6.167 -1.771 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.403 3.668 -2.726 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.766 5.400 -3.813 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -2.516 4.554 -2.964 1.00 0.00 H +ATOM 29 HG LEU A 2 -4.262 2.639 -4.267 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.932 4.396 -5.784 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -3.228 4.767 -6.155 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -3.936 3.199 -6.614 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -1.412 3.394 -5.001 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -1.857 2.272 -3.692 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -2.253 1.872 -5.370 1.00 0.00 H +ATOM 36 N TYR A 3 -4.143 3.405 0.077 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.594 2.622 1.192 1.00 0.00 C +ATOM 38 C TYR A 3 -4.041 1.158 1.165 1.00 0.00 C +ATOM 39 O TYR A 3 -3.239 0.261 1.408 1.00 0.00 O +ATOM 40 CB TYR A 3 -3.976 3.276 2.532 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.857 3.224 3.553 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -2.508 2.017 4.182 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -2.132 4.392 3.837 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -1.412 1.972 5.068 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -1.039 4.360 4.722 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.662 3.140 5.323 1.00 0.00 C +ATOM 47 OH TYR A 3 0.439 3.086 6.118 1.00 0.00 O +ATOM 48 H TYR A 3 -4.628 4.258 0.296 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.507 2.635 1.105 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.228 4.303 2.352 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.863 2.793 2.949 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -3.069 1.122 3.968 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -2.417 5.309 3.354 1.00 0.00 H +ATOM 54 HE1 TYR A 3 -1.123 1.050 5.550 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -0.485 5.260 4.942 1.00 0.00 H +ATOM 56 HH TYR A 3 0.954 3.895 6.046 1.00 0.00 H +ATOM 57 N ILE A 4 -5.313 0.913 0.819 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.875 -0.433 0.687 1.00 0.00 C +ATOM 59 C ILE A 4 -5.150 -1.213 -0.419 1.00 0.00 C +ATOM 60 O ILE A 4 -4.782 -2.367 -0.218 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.404 -0.376 0.441 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.133 0.538 1.461 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.996 -1.794 0.489 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.579 1.867 0.834 1.00 0.00 C +ATOM 65 H ILE A 4 -5.909 1.712 0.664 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.703 -0.963 1.625 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.582 0.014 -0.564 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -8.999 0.022 1.830 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.484 0.744 2.314 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.610 -2.395 -0.333 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.734 -2.278 1.431 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -9.082 -1.752 0.406 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.781 2.293 0.225 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.456 1.698 0.209 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.839 2.575 1.623 1.00 0.00 H +ATOM 76 N GLN A 5 -4.916 -0.587 -1.582 1.00 0.00 N +ATOM 77 CA GLN A 5 -4.177 -1.207 -2.684 1.00 0.00 C +ATOM 78 C GLN A 5 -2.695 -1.416 -2.351 1.00 0.00 C +ATOM 79 O GLN A 5 -2.131 -2.431 -2.746 1.00 0.00 O +ATOM 80 CB GLN A 5 -4.323 -0.379 -3.966 1.00 0.00 C +ATOM 81 CG GLN A 5 -5.742 -0.393 -4.567 1.00 0.00 C +ATOM 82 CD GLN A 5 -6.425 0.974 -4.548 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -6.408 1.714 -5.514 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -7.071 1.361 -3.464 1.00 0.00 N +ATOM 85 H GLN A 5 -5.081 0.408 -1.625 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.585 -2.193 -2.872 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.062 0.637 -3.742 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.636 -0.777 -4.715 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -5.677 -0.726 -5.585 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -6.369 -1.116 -4.046 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -7.192 0.797 -2.646 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -7.525 2.252 -3.586 1.00 0.00 H +ATOM 93 N TRP A 6 -2.077 -0.504 -1.595 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.720 -0.701 -1.084 1.00 0.00 C +ATOM 95 C TRP A 6 -0.636 -1.874 -0.089 1.00 0.00 C +ATOM 96 O TRP A 6 0.249 -2.721 -0.206 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.212 0.612 -0.482 1.00 0.00 C +ATOM 98 CG TRP A 6 1.182 0.533 0.054 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.314 0.521 -0.685 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.608 0.404 1.443 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.408 0.380 0.147 1.00 0.00 N +ATOM 102 CE2 TRP A 6 3.031 0.317 1.470 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.937 0.364 2.685 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.755 0.214 2.665 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.654 0.247 3.892 1.00 0.00 C +ATOM 106 CH2 TRP A 6 3.057 0.179 3.883 1.00 0.00 C +ATOM 107 H TRP A 6 -2.581 0.349 -1.361 1.00 0.00 H +ATOM 108 HA TRP A 6 -0.070 -0.958 -1.922 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.239 1.366 -1.245 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.876 0.919 0.324 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.354 0.591 -1.764 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.380 0.346 -0.171 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.140 0.441 2.699 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.832 0.162 2.632 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 1.123 0.229 4.833 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.599 0.110 4.815 1.00 0.00 H +ATOM 117 N LEU A 7 -1.578 -1.972 0.862 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.635 -3.091 1.807 1.00 0.00 C +ATOM 119 C LEU A 7 -1.938 -4.442 1.140 1.00 0.00 C +ATOM 120 O LEU A 7 -1.409 -5.445 1.613 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.649 -2.806 2.929 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.162 -1.784 3.974 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.325 -1.421 4.903 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.020 -2.318 4.848 1.00 0.00 C +ATOM 125 H LEU A 7 -2.263 -1.224 0.945 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.647 -3.201 2.250 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.548 -2.428 2.482 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.870 -3.739 3.450 1.00 0.00 H +ATOM 129 HG LEU A 7 -1.826 -0.882 3.469 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.144 -0.999 4.320 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.677 -2.310 5.426 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -2.996 -0.686 5.638 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.350 -3.197 5.402 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.162 -2.584 4.235 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -0.705 -1.549 5.553 1.00 0.00 H +ATOM 136 N LYS A 8 -2.727 -4.482 0.050 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.029 -5.712 -0.710 1.00 0.00 C +ATOM 138 C LYS A 8 -1.781 -6.486 -1.146 1.00 0.00 C +ATOM 139 O LYS A 8 -1.824 -7.713 -1.157 1.00 0.00 O +ATOM 140 CB LYS A 8 -3.877 -5.403 -1.959 1.00 0.00 C +ATOM 141 CG LYS A 8 -5.382 -5.303 -1.680 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.121 -4.820 -2.936 1.00 0.00 C +ATOM 143 CE LYS A 8 -7.604 -4.569 -2.640 1.00 0.00 C +ATOM 144 NZ LYS A 8 -8.094 -3.337 -3.303 1.00 0.00 N +ATOM 145 H LYS A 8 -3.183 -3.613 -0.220 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.587 -6.394 -0.066 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -3.547 -4.468 -2.369 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.735 -6.199 -2.691 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.755 -6.268 -1.398 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -5.561 -4.609 -0.862 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -5.672 -3.907 -3.278 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.030 -5.569 -3.726 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -8.176 -5.405 -2.994 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -7.739 -4.483 -1.558 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -7.671 -2.528 -2.870 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -7.852 -3.348 -4.286 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -9.100 -3.265 -3.217 1.00 0.00 H +ATOM 158 N ASP A 9 -0.706 -5.789 -1.524 1.00 0.00 N +ATOM 159 CA ASP A 9 0.553 -6.406 -1.949 1.00 0.00 C +ATOM 160 C ASP A 9 1.294 -7.047 -0.758 1.00 0.00 C +ATOM 161 O ASP A 9 1.606 -8.237 -0.786 1.00 0.00 O +ATOM 162 CB ASP A 9 1.394 -5.344 -2.675 1.00 0.00 C +ATOM 163 CG ASP A 9 2.486 -5.969 -3.549 1.00 0.00 C +ATOM 164 OD1 ASP A 9 3.523 -6.378 -2.986 1.00 0.00 O +ATOM 165 OD2 ASP A 9 2.263 -6.015 -4.778 1.00 0.00 O +ATOM 166 H ASP A 9 -0.768 -4.780 -1.507 1.00 0.00 H +ATOM 167 HA ASP A 9 0.326 -7.201 -2.662 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.747 -4.757 -3.298 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.836 -4.661 -1.952 1.00 0.00 H +ATOM 170 N GLY A 10 1.509 -6.275 0.317 1.00 0.00 N +ATOM 171 CA GLY A 10 2.156 -6.749 1.545 1.00 0.00 C +ATOM 172 C GLY A 10 2.683 -5.650 2.474 1.00 0.00 C +ATOM 173 O GLY A 10 3.675 -5.864 3.179 1.00 0.00 O +ATOM 174 H GLY A 10 1.256 -5.305 0.206 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.435 -7.344 2.107 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.991 -7.399 1.279 1.00 0.00 H +ATOM 177 N GLY A 11 2.059 -4.463 2.477 1.00 0.00 N +ATOM 178 CA GLY A 11 2.499 -3.312 3.269 1.00 0.00 C +ATOM 179 C GLY A 11 3.991 -2.994 3.056 1.00 0.00 C +ATOM 180 O GLY A 11 4.434 -2.979 1.903 1.00 0.00 O +ATOM 181 H GLY A 11 1.253 -4.352 1.879 1.00 0.00 H +ATOM 182 HA2 GLY A 11 1.923 -2.437 2.974 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.296 -3.527 4.316 1.00 0.00 H +ATOM 184 N PRO A 12 4.793 -2.762 4.118 1.00 0.00 N +ATOM 185 CA PRO A 12 6.229 -2.487 3.995 1.00 0.00 C +ATOM 186 C PRO A 12 7.028 -3.585 3.274 1.00 0.00 C +ATOM 187 O PRO A 12 8.076 -3.294 2.700 1.00 0.00 O +ATOM 188 CB PRO A 12 6.752 -2.306 5.426 1.00 0.00 C +ATOM 189 CG PRO A 12 5.507 -2.017 6.260 1.00 0.00 C +ATOM 190 CD PRO A 12 4.401 -2.765 5.520 1.00 0.00 C +ATOM 191 HA PRO A 12 6.358 -1.552 3.450 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.237 -3.200 5.768 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.469 -1.487 5.487 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.620 -2.390 7.260 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.297 -0.947 6.247 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.322 -3.771 5.884 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.446 -2.266 5.679 1.00 0.00 H +ATOM 198 N SER A 13 6.542 -4.835 3.272 1.00 0.00 N +ATOM 199 CA SER A 13 7.225 -5.960 2.613 1.00 0.00 C +ATOM 200 C SER A 13 7.090 -5.923 1.084 1.00 0.00 C +ATOM 201 O SER A 13 7.812 -6.639 0.397 1.00 0.00 O +ATOM 202 CB SER A 13 6.715 -7.304 3.143 1.00 0.00 C +ATOM 203 OG SER A 13 6.868 -7.384 4.548 1.00 0.00 O +ATOM 204 H SER A 13 5.615 -5.000 3.652 1.00 0.00 H +ATOM 205 HA SER A 13 8.289 -5.899 2.846 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.676 -7.407 2.896 1.00 0.00 H +ATOM 207 HB3 SER A 13 7.295 -8.107 2.686 1.00 0.00 H +ATOM 208 HG SER A 13 6.175 -6.863 4.961 1.00 0.00 H +ATOM 209 N SER A 14 6.215 -5.060 0.547 1.00 0.00 N +ATOM 210 CA SER A 14 5.985 -4.853 -0.893 1.00 0.00 C +ATOM 211 C SER A 14 7.162 -4.169 -1.609 1.00 0.00 C +ATOM 212 O SER A 14 7.144 -4.019 -2.829 1.00 0.00 O +ATOM 213 CB SER A 14 4.753 -3.963 -1.131 1.00 0.00 C +ATOM 214 OG SER A 14 3.717 -4.170 -0.195 1.00 0.00 O +ATOM 215 H SER A 14 5.645 -4.521 1.187 1.00 0.00 H +ATOM 216 HA SER A 14 5.802 -5.822 -1.361 1.00 0.00 H +ATOM 217 HB2 SER A 14 5.060 -2.936 -1.075 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.378 -4.145 -2.137 1.00 0.00 H +ATOM 219 HG SER A 14 3.940 -3.652 0.618 1.00 0.00 H +ATOM 220 N GLY A 15 8.149 -3.648 -0.867 1.00 0.00 N +ATOM 221 CA GLY A 15 9.308 -2.922 -1.397 1.00 0.00 C +ATOM 222 C GLY A 15 9.025 -1.456 -1.756 1.00 0.00 C +ATOM 223 O GLY A 15 9.889 -0.604 -1.556 1.00 0.00 O +ATOM 224 H GLY A 15 8.079 -3.767 0.134 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.105 -2.947 -0.656 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.666 -3.429 -2.292 1.00 0.00 H +ATOM 227 N ARG A 16 7.825 -1.141 -2.266 1.00 0.00 N +ATOM 228 CA ARG A 16 7.373 0.232 -2.551 1.00 0.00 C +ATOM 229 C ARG A 16 6.899 0.948 -1.262 1.00 0.00 C +ATOM 230 O ARG A 16 6.146 0.343 -0.492 1.00 0.00 O +ATOM 231 CB ARG A 16 6.251 0.175 -3.606 1.00 0.00 C +ATOM 232 CG ARG A 16 5.730 1.567 -4.005 1.00 0.00 C +ATOM 233 CD ARG A 16 4.469 1.519 -4.875 1.00 0.00 C +ATOM 234 NE ARG A 16 4.763 1.758 -6.300 1.00 0.00 N +ATOM 235 CZ ARG A 16 3.916 2.227 -7.208 1.00 0.00 C +ATOM 236 NH1 ARG A 16 2.658 2.472 -6.918 1.00 0.00 N +ATOM 237 NH2 ARG A 16 4.320 2.468 -8.433 1.00 0.00 N +ATOM 238 H ARG A 16 7.201 -1.921 -2.440 1.00 0.00 H +ATOM 239 HA ARG A 16 8.223 0.770 -2.970 1.00 0.00 H +ATOM 240 HB2 ARG A 16 6.631 -0.312 -4.483 1.00 0.00 H +ATOM 241 HB3 ARG A 16 5.424 -0.414 -3.204 1.00 0.00 H +ATOM 242 HG2 ARG A 16 5.505 2.115 -3.110 1.00 0.00 H +ATOM 243 HG3 ARG A 16 6.516 2.126 -4.513 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.016 0.551 -4.774 1.00 0.00 H +ATOM 245 HD3 ARG A 16 3.800 2.303 -4.511 1.00 0.00 H +ATOM 246 HE ARG A 16 5.706 1.581 -6.603 1.00 0.00 H +ATOM 247 HH11 ARG A 16 2.347 2.274 -5.983 1.00 0.00 H +ATOM 248 HH12 ARG A 16 2.019 2.829 -7.604 1.00 0.00 H +ATOM 249 HH21 ARG A 16 5.274 2.298 -8.697 1.00 0.00 H +ATOM 250 HH22 ARG A 16 3.671 2.823 -9.112 1.00 0.00 H +ATOM 251 N PRO A 17 7.238 2.239 -1.049 1.00 0.00 N +ATOM 252 CA PRO A 17 6.752 3.031 0.091 1.00 0.00 C +ATOM 253 C PRO A 17 5.220 3.248 0.078 1.00 0.00 C +ATOM 254 O PRO A 17 4.591 3.120 -0.974 1.00 0.00 O +ATOM 255 CB PRO A 17 7.502 4.368 0.005 1.00 0.00 C +ATOM 256 CG PRO A 17 7.850 4.499 -1.475 1.00 0.00 C +ATOM 257 CD PRO A 17 8.119 3.053 -1.878 1.00 0.00 C +ATOM 258 HA PRO A 17 7.029 2.523 1.014 1.00 0.00 H +ATOM 259 HB2 PRO A 17 6.875 5.179 0.323 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.421 4.310 0.590 1.00 0.00 H +ATOM 261 HG2 PRO A 17 7.030 4.911 -2.031 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.722 5.135 -1.635 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.895 2.907 -2.917 1.00 0.00 H +ATOM 264 HD3 PRO A 17 9.157 2.796 -1.662 1.00 0.00 H +ATOM 265 N PRO A 18 4.609 3.598 1.230 1.00 0.00 N +ATOM 266 CA PRO A 18 3.169 3.836 1.328 1.00 0.00 C +ATOM 267 C PRO A 18 2.742 5.156 0.656 1.00 0.00 C +ATOM 268 O PRO A 18 3.546 6.084 0.554 1.00 0.00 O +ATOM 269 CB PRO A 18 2.862 3.850 2.829 1.00 0.00 C +ATOM 270 CG PRO A 18 4.166 4.332 3.459 1.00 0.00 C +ATOM 271 CD PRO A 18 5.241 3.765 2.532 1.00 0.00 C +ATOM 272 HA PRO A 18 2.644 3.006 0.861 1.00 0.00 H +ATOM 273 HB2 PRO A 18 2.058 4.525 3.049 1.00 0.00 H +ATOM 274 HB3 PRO A 18 2.652 2.837 3.167 1.00 0.00 H +ATOM 275 HG2 PRO A 18 4.207 5.404 3.483 1.00 0.00 H +ATOM 276 HG3 PRO A 18 4.282 3.964 4.478 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.067 4.446 2.460 1.00 0.00 H +ATOM 278 HD3 PRO A 18 5.572 2.793 2.901 1.00 0.00 H +ATOM 279 N PRO A 19 1.469 5.271 0.226 1.00 0.00 N +ATOM 280 CA PRO A 19 0.934 6.477 -0.411 1.00 0.00 C +ATOM 281 C PRO A 19 0.511 7.576 0.577 1.00 0.00 C +ATOM 282 O PRO A 19 0.337 8.718 0.154 1.00 0.00 O +ATOM 283 CB PRO A 19 -0.292 5.993 -1.191 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.802 4.823 -0.346 1.00 0.00 C +ATOM 285 CD PRO A 19 0.482 4.200 0.195 1.00 0.00 C +ATOM 286 HA PRO A 19 1.665 6.898 -1.103 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -1.032 6.767 -1.264 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.019 5.632 -2.172 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -1.428 5.170 0.453 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -1.362 4.109 -0.947 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.321 3.813 1.183 1.00 0.00 H +ATOM 292 HD3 PRO A 19 0.825 3.424 -0.490 1.00 0.00 H +ATOM 293 N SER A 20 0.305 7.237 1.858 1.00 0.00 N +ATOM 294 CA SER A 20 -0.121 8.153 2.922 1.00 0.00 C +ATOM 295 C SER A 20 0.633 7.935 4.225 1.00 0.00 C +ATOM 296 O SER A 20 1.271 6.865 4.365 1.00 0.00 O +ATOM 297 CB SER A 20 -1.606 7.996 3.229 1.00 0.00 C +ATOM 298 OG SER A 20 -1.979 9.152 3.934 1.00 0.00 O +ATOM 299 OXT SER A 20 0.418 8.818 5.086 1.00 0.00 O +ATOM 300 H SER A 20 0.556 6.306 2.160 1.00 0.00 H +ATOM 301 HA SER A 20 0.065 9.179 2.607 1.00 0.00 H +ATOM 302 HB2 SER A 20 -2.169 7.916 2.319 1.00 0.00 H +ATOM 303 HB3 SER A 20 -1.742 7.145 3.893 1.00 0.00 H +ATOM 304 HG SER A 20 -1.222 9.307 4.547 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MODEL 38 +ATOM 1 N ASN A 1 -6.430 7.268 -0.166 1.00 0.00 N +ATOM 2 CA ASN A 1 -7.338 6.541 -1.083 1.00 0.00 C +ATOM 3 C ASN A 1 -6.741 5.186 -1.487 1.00 0.00 C +ATOM 4 O ASN A 1 -7.302 4.173 -1.103 1.00 0.00 O +ATOM 5 CB ASN A 1 -7.816 7.420 -2.263 1.00 0.00 C +ATOM 6 CG ASN A 1 -6.722 7.736 -3.278 1.00 0.00 C +ATOM 7 OD1 ASN A 1 -6.455 6.960 -4.175 1.00 0.00 O +ATOM 8 ND2 ASN A 1 -5.989 8.824 -3.136 1.00 0.00 N +ATOM 9 H1 ASN A 1 -6.139 6.658 0.586 1.00 0.00 H +ATOM 10 H2 ASN A 1 -5.611 7.592 -0.664 1.00 0.00 H +ATOM 11 H3 ASN A 1 -6.908 8.064 0.234 1.00 0.00 H +ATOM 12 HA ASN A 1 -8.233 6.285 -0.514 1.00 0.00 H +ATOM 13 HB2 ASN A 1 -8.609 6.904 -2.770 1.00 0.00 H +ATOM 14 HB3 ASN A 1 -8.228 8.355 -1.876 1.00 0.00 H +ATOM 15 HD21 ASN A 1 -6.187 9.584 -2.506 1.00 0.00 H +ATOM 16 HD22 ASN A 1 -5.321 8.935 -3.885 1.00 0.00 H +ATOM 17 N LEU A 2 -5.581 5.139 -2.154 1.00 0.00 N +ATOM 18 CA LEU A 2 -4.935 3.924 -2.679 1.00 0.00 C +ATOM 19 C LEU A 2 -4.238 3.028 -1.631 1.00 0.00 C +ATOM 20 O LEU A 2 -3.619 2.024 -1.985 1.00 0.00 O +ATOM 21 CB LEU A 2 -3.974 4.371 -3.806 1.00 0.00 C +ATOM 22 CG LEU A 2 -4.642 4.256 -5.191 1.00 0.00 C +ATOM 23 CD1 LEU A 2 -3.992 5.215 -6.190 1.00 0.00 C +ATOM 24 CD2 LEU A 2 -4.527 2.822 -5.718 1.00 0.00 C +ATOM 25 H LEU A 2 -5.206 6.000 -2.526 1.00 0.00 H +ATOM 26 HA LEU A 2 -5.713 3.296 -3.117 1.00 0.00 H +ATOM 27 HB2 LEU A 2 -3.690 5.392 -3.639 1.00 0.00 H +ATOM 28 HB3 LEU A 2 -3.065 3.769 -3.800 1.00 0.00 H +ATOM 29 HG LEU A 2 -5.698 4.515 -5.115 1.00 0.00 H +ATOM 30 HD11 LEU A 2 -4.204 6.242 -5.892 1.00 0.00 H +ATOM 31 HD12 LEU A 2 -2.915 5.058 -6.224 1.00 0.00 H +ATOM 32 HD13 LEU A 2 -4.414 5.054 -7.182 1.00 0.00 H +ATOM 33 HD21 LEU A 2 -3.478 2.549 -5.839 1.00 0.00 H +ATOM 34 HD22 LEU A 2 -4.998 2.131 -5.020 1.00 0.00 H +ATOM 35 HD23 LEU A 2 -5.031 2.745 -6.681 1.00 0.00 H +ATOM 36 N TYR A 3 -4.360 3.359 -0.340 1.00 0.00 N +ATOM 37 CA TYR A 3 -3.724 2.648 0.772 1.00 0.00 C +ATOM 38 C TYR A 3 -4.137 1.169 0.856 1.00 0.00 C +ATOM 39 O TYR A 3 -3.317 0.329 1.227 1.00 0.00 O +ATOM 40 CB TYR A 3 -4.029 3.379 2.090 1.00 0.00 C +ATOM 41 CG TYR A 3 -2.887 3.312 3.082 1.00 0.00 C +ATOM 42 CD1 TYR A 3 -1.861 4.274 3.013 1.00 0.00 C +ATOM 43 CD2 TYR A 3 -2.830 2.295 4.054 1.00 0.00 C +ATOM 44 CE1 TYR A 3 -0.765 4.215 3.892 1.00 0.00 C +ATOM 45 CE2 TYR A 3 -1.745 2.242 4.951 1.00 0.00 C +ATOM 46 CZ TYR A 3 -0.706 3.197 4.866 1.00 0.00 C +ATOM 47 OH TYR A 3 0.351 3.124 5.717 1.00 0.00 O +ATOM 48 H TYR A 3 -4.937 4.156 -0.129 1.00 0.00 H +ATOM 49 HA TYR A 3 -2.646 2.676 0.609 1.00 0.00 H +ATOM 50 HB2 TYR A 3 -4.231 4.410 1.870 1.00 0.00 H +ATOM 51 HB3 TYR A 3 -4.934 2.967 2.541 1.00 0.00 H +ATOM 52 HD1 TYR A 3 -1.912 5.069 2.285 1.00 0.00 H +ATOM 53 HD2 TYR A 3 -3.617 1.558 4.111 1.00 0.00 H +ATOM 54 HE1 TYR A 3 0.013 4.960 3.818 1.00 0.00 H +ATOM 55 HE2 TYR A 3 -1.685 1.473 5.706 1.00 0.00 H +ATOM 56 HH TYR A 3 1.074 3.686 5.430 1.00 0.00 H +ATOM 57 N ILE A 4 -5.379 0.841 0.456 1.00 0.00 N +ATOM 58 CA ILE A 4 -5.867 -0.543 0.382 1.00 0.00 C +ATOM 59 C ILE A 4 -4.972 -1.370 -0.545 1.00 0.00 C +ATOM 60 O ILE A 4 -4.513 -2.431 -0.139 1.00 0.00 O +ATOM 61 CB ILE A 4 -7.351 -0.631 -0.056 1.00 0.00 C +ATOM 62 CG1 ILE A 4 -8.267 0.276 0.803 1.00 0.00 C +ATOM 63 CG2 ILE A 4 -7.848 -2.085 0.043 1.00 0.00 C +ATOM 64 CD1 ILE A 4 -8.626 1.595 0.106 1.00 0.00 C +ATOM 65 H ILE A 4 -5.992 1.589 0.165 1.00 0.00 H +ATOM 66 HA ILE A 4 -5.785 -0.978 1.379 1.00 0.00 H +ATOM 67 HB ILE A 4 -7.431 -0.341 -1.106 1.00 0.00 H +ATOM 68 HG12 ILE A 4 -9.174 -0.257 1.016 1.00 0.00 H +ATOM 69 HG13 ILE A 4 -7.782 0.492 1.756 1.00 0.00 H +ATOM 70 HG21 ILE A 4 -7.271 -2.734 -0.616 1.00 0.00 H +ATOM 71 HG22 ILE A 4 -7.761 -2.445 1.069 1.00 0.00 H +ATOM 72 HG23 ILE A 4 -8.892 -2.140 -0.270 1.00 0.00 H +ATOM 73 HD11 ILE A 4 -7.974 1.772 -0.749 1.00 0.00 H +ATOM 74 HD12 ILE A 4 -9.658 1.551 -0.248 1.00 0.00 H +ATOM 75 HD13 ILE A 4 -8.528 2.422 0.809 1.00 0.00 H +ATOM 76 N GLN A 5 -4.692 -0.874 -1.757 1.00 0.00 N +ATOM 77 CA GLN A 5 -3.867 -1.563 -2.751 1.00 0.00 C +ATOM 78 C GLN A 5 -2.445 -1.809 -2.222 1.00 0.00 C +ATOM 79 O GLN A 5 -1.929 -2.921 -2.330 1.00 0.00 O +ATOM 80 CB GLN A 5 -3.847 -0.743 -4.058 1.00 0.00 C +ATOM 81 CG GLN A 5 -3.727 -1.623 -5.311 1.00 0.00 C +ATOM 82 CD GLN A 5 -5.084 -2.186 -5.734 1.00 0.00 C +ATOM 83 OE1 GLN A 5 -5.698 -2.984 -5.042 1.00 0.00 O +ATOM 84 NE2 GLN A 5 -5.615 -1.776 -6.871 1.00 0.00 N +ATOM 85 H GLN A 5 -5.036 0.048 -1.986 1.00 0.00 H +ATOM 86 HA GLN A 5 -4.323 -2.535 -2.945 1.00 0.00 H +ATOM 87 HB2 GLN A 5 -4.757 -0.178 -4.122 1.00 0.00 H +ATOM 88 HB3 GLN A 5 -3.011 -0.043 -4.034 1.00 0.00 H +ATOM 89 HG2 GLN A 5 -3.329 -1.033 -6.114 1.00 0.00 H +ATOM 90 HG3 GLN A 5 -3.035 -2.447 -5.128 1.00 0.00 H +ATOM 91 HE21 GLN A 5 -5.153 -1.128 -7.485 1.00 0.00 H +ATOM 92 HE22 GLN A 5 -6.510 -2.185 -7.079 1.00 0.00 H +ATOM 93 N TRP A 6 -1.839 -0.788 -1.599 1.00 0.00 N +ATOM 94 CA TRP A 6 -0.525 -0.892 -0.956 1.00 0.00 C +ATOM 95 C TRP A 6 -0.505 -1.946 0.161 1.00 0.00 C +ATOM 96 O TRP A 6 0.383 -2.798 0.180 1.00 0.00 O +ATOM 97 CB TRP A 6 -0.095 0.486 -0.442 1.00 0.00 C +ATOM 98 CG TRP A 6 1.244 0.517 0.231 1.00 0.00 C +ATOM 99 CD1 TRP A 6 2.442 0.440 -0.391 1.00 0.00 C +ATOM 100 CD2 TRP A 6 1.543 0.573 1.661 1.00 0.00 C +ATOM 101 NE1 TRP A 6 3.455 0.482 0.546 1.00 0.00 N +ATOM 102 CE2 TRP A 6 2.959 0.563 1.826 1.00 0.00 C +ATOM 103 CE3 TRP A 6 0.765 0.602 2.836 1.00 0.00 C +ATOM 104 CZ2 TRP A 6 3.578 0.610 3.082 1.00 0.00 C +ATOM 105 CZ3 TRP A 6 1.375 0.609 4.105 1.00 0.00 C +ATOM 106 CH2 TRP A 6 2.774 0.632 4.232 1.00 0.00 C +ATOM 107 H TRP A 6 -2.350 0.086 -1.539 1.00 0.00 H +ATOM 108 HA TRP A 6 0.198 -1.218 -1.705 1.00 0.00 H +ATOM 109 HB2 TRP A 6 -0.064 1.159 -1.277 1.00 0.00 H +ATOM 110 HB3 TRP A 6 -0.841 0.856 0.262 1.00 0.00 H +ATOM 111 HD1 TRP A 6 2.583 0.342 -1.457 1.00 0.00 H +ATOM 112 HE1 TRP A 6 4.453 0.438 0.329 1.00 0.00 H +ATOM 113 HE3 TRP A 6 -0.312 0.606 2.755 1.00 0.00 H +ATOM 114 HZ2 TRP A 6 4.655 0.607 3.156 1.00 0.00 H +ATOM 115 HZ3 TRP A 6 0.762 0.609 4.996 1.00 0.00 H +ATOM 116 HH2 TRP A 6 3.223 0.656 5.215 1.00 0.00 H +ATOM 117 N LEU A 7 -1.495 -1.933 1.067 1.00 0.00 N +ATOM 118 CA LEU A 7 -1.631 -2.979 2.085 1.00 0.00 C +ATOM 119 C LEU A 7 -1.880 -4.365 1.470 1.00 0.00 C +ATOM 120 O LEU A 7 -1.286 -5.334 1.938 1.00 0.00 O +ATOM 121 CB LEU A 7 -2.736 -2.618 3.092 1.00 0.00 C +ATOM 122 CG LEU A 7 -2.373 -1.484 4.072 1.00 0.00 C +ATOM 123 CD1 LEU A 7 -3.572 -1.205 4.981 1.00 0.00 C +ATOM 124 CD2 LEU A 7 -1.173 -1.831 4.963 1.00 0.00 C +ATOM 125 H LEU A 7 -2.195 -1.196 1.019 1.00 0.00 H +ATOM 126 HA LEU A 7 -0.684 -3.061 2.616 1.00 0.00 H +ATOM 127 HB2 LEU A 7 -3.605 -2.317 2.540 1.00 0.00 H +ATOM 128 HB3 LEU A 7 -2.968 -3.507 3.680 1.00 0.00 H +ATOM 129 HG LEU A 7 -2.145 -0.578 3.513 1.00 0.00 H +ATOM 130 HD11 LEU A 7 -4.432 -0.914 4.377 1.00 0.00 H +ATOM 131 HD12 LEU A 7 -3.821 -2.097 5.558 1.00 0.00 H +ATOM 132 HD13 LEU A 7 -3.338 -0.395 5.671 1.00 0.00 H +ATOM 133 HD21 LEU A 7 -1.337 -2.790 5.456 1.00 0.00 H +ATOM 134 HD22 LEU A 7 -0.263 -1.882 4.367 1.00 0.00 H +ATOM 135 HD23 LEU A 7 -1.035 -1.059 5.719 1.00 0.00 H +ATOM 136 N LYS A 8 -2.706 -4.471 0.416 1.00 0.00 N +ATOM 137 CA LYS A 8 -3.040 -5.736 -0.258 1.00 0.00 C +ATOM 138 C LYS A 8 -1.805 -6.466 -0.789 1.00 0.00 C +ATOM 139 O LYS A 8 -1.742 -7.687 -0.688 1.00 0.00 O +ATOM 140 CB LYS A 8 -4.034 -5.485 -1.410 1.00 0.00 C +ATOM 141 CG LYS A 8 -4.931 -6.689 -1.757 1.00 0.00 C +ATOM 142 CD LYS A 8 -6.238 -6.726 -0.944 1.00 0.00 C +ATOM 143 CE LYS A 8 -6.111 -7.395 0.434 1.00 0.00 C +ATOM 144 NZ LYS A 8 -6.596 -8.795 0.413 1.00 0.00 N +ATOM 145 H LYS A 8 -3.180 -3.623 0.110 1.00 0.00 H +ATOM 146 HA LYS A 8 -3.483 -6.388 0.485 1.00 0.00 H +ATOM 147 HB2 LYS A 8 -4.667 -4.665 -1.133 1.00 0.00 H +ATOM 148 HB3 LYS A 8 -3.469 -5.209 -2.302 1.00 0.00 H +ATOM 149 HG2 LYS A 8 -5.179 -6.640 -2.800 1.00 0.00 H +ATOM 150 HG3 LYS A 8 -4.383 -7.626 -1.648 1.00 0.00 H +ATOM 151 HD2 LYS A 8 -6.571 -5.716 -0.797 1.00 0.00 H +ATOM 152 HD3 LYS A 8 -6.998 -7.246 -1.531 1.00 0.00 H +ATOM 153 HE2 LYS A 8 -5.079 -7.389 0.729 1.00 0.00 H +ATOM 154 HE3 LYS A 8 -6.699 -6.816 1.151 1.00 0.00 H +ATOM 155 HZ1 LYS A 8 -7.551 -8.825 0.081 1.00 0.00 H +ATOM 156 HZ2 LYS A 8 -6.018 -9.355 -0.202 1.00 0.00 H +ATOM 157 HZ3 LYS A 8 -6.565 -9.193 1.343 1.00 0.00 H +ATOM 158 N ASP A 9 -0.838 -5.715 -1.323 1.00 0.00 N +ATOM 159 CA ASP A 9 0.450 -6.224 -1.807 1.00 0.00 C +ATOM 160 C ASP A 9 1.375 -6.712 -0.666 1.00 0.00 C +ATOM 161 O ASP A 9 2.268 -7.521 -0.902 1.00 0.00 O +ATOM 162 CB ASP A 9 1.122 -5.114 -2.638 1.00 0.00 C +ATOM 163 CG ASP A 9 1.749 -5.645 -3.931 1.00 0.00 C +ATOM 164 OD1 ASP A 9 2.908 -6.107 -3.879 1.00 0.00 O +ATOM 165 OD2 ASP A 9 1.053 -5.563 -4.967 1.00 0.00 O +ATOM 166 H ASP A 9 -1.027 -4.724 -1.433 1.00 0.00 H +ATOM 167 HA ASP A 9 0.258 -7.078 -2.459 1.00 0.00 H +ATOM 168 HB2 ASP A 9 0.383 -4.379 -2.891 1.00 0.00 H +ATOM 169 HB3 ASP A 9 1.874 -4.603 -2.038 1.00 0.00 H +ATOM 170 N GLY A 10 1.131 -6.267 0.578 1.00 0.00 N +ATOM 171 CA GLY A 10 1.947 -6.573 1.759 1.00 0.00 C +ATOM 172 C GLY A 10 2.471 -5.343 2.517 1.00 0.00 C +ATOM 173 O GLY A 10 3.312 -5.492 3.405 1.00 0.00 O +ATOM 174 H GLY A 10 0.292 -5.717 0.714 1.00 0.00 H +ATOM 175 HA2 GLY A 10 1.343 -7.159 2.453 1.00 0.00 H +ATOM 176 HA3 GLY A 10 2.809 -7.177 1.472 1.00 0.00 H +ATOM 177 N GLY A 11 2.017 -4.128 2.178 1.00 0.00 N +ATOM 178 CA GLY A 11 2.486 -2.885 2.787 1.00 0.00 C +ATOM 179 C GLY A 11 4.008 -2.719 2.637 1.00 0.00 C +ATOM 180 O GLY A 11 4.503 -2.800 1.506 1.00 0.00 O +ATOM 181 H GLY A 11 1.396 -4.039 1.378 1.00 0.00 H +ATOM 182 HA2 GLY A 11 2.001 -2.048 2.288 1.00 0.00 H +ATOM 183 HA3 GLY A 11 2.186 -2.879 3.832 1.00 0.00 H +ATOM 184 N PRO A 12 4.780 -2.519 3.728 1.00 0.00 N +ATOM 185 CA PRO A 12 6.239 -2.387 3.665 1.00 0.00 C +ATOM 186 C PRO A 12 6.950 -3.575 3.000 1.00 0.00 C +ATOM 187 O PRO A 12 7.979 -3.391 2.354 1.00 0.00 O +ATOM 188 CB PRO A 12 6.713 -2.228 5.117 1.00 0.00 C +ATOM 189 CG PRO A 12 5.470 -1.751 5.866 1.00 0.00 C +ATOM 190 CD PRO A 12 4.331 -2.431 5.110 1.00 0.00 C +ATOM 191 HA PRO A 12 6.480 -1.479 3.109 1.00 0.00 H +ATOM 192 HB2 PRO A 12 7.058 -3.165 5.510 1.00 0.00 H +ATOM 193 HB3 PRO A 12 7.527 -1.506 5.194 1.00 0.00 H +ATOM 194 HG2 PRO A 12 5.494 -2.065 6.892 1.00 0.00 H +ATOM 195 HG3 PRO A 12 5.378 -0.669 5.771 1.00 0.00 H +ATOM 196 HD2 PRO A 12 4.149 -3.411 5.508 1.00 0.00 H +ATOM 197 HD3 PRO A 12 3.421 -1.842 5.212 1.00 0.00 H +ATOM 198 N SER A 13 6.391 -4.788 3.108 1.00 0.00 N +ATOM 199 CA SER A 13 6.963 -6.030 2.565 1.00 0.00 C +ATOM 200 C SER A 13 6.817 -6.172 1.040 1.00 0.00 C +ATOM 201 O SER A 13 7.075 -7.245 0.502 1.00 0.00 O +ATOM 202 CB SER A 13 6.348 -7.235 3.292 1.00 0.00 C +ATOM 203 OG SER A 13 6.588 -7.135 4.685 1.00 0.00 O +ATOM 204 H SER A 13 5.511 -4.881 3.605 1.00 0.00 H +ATOM 205 HA SER A 13 8.033 -6.031 2.772 1.00 0.00 H +ATOM 206 HB2 SER A 13 5.290 -7.255 3.114 1.00 0.00 H +ATOM 207 HB3 SER A 13 6.798 -8.157 2.922 1.00 0.00 H +ATOM 208 HG SER A 13 7.535 -7.126 4.838 1.00 0.00 H +ATOM 209 N SER A 14 6.433 -5.095 0.342 1.00 0.00 N +ATOM 210 CA SER A 14 6.094 -5.070 -1.091 1.00 0.00 C +ATOM 211 C SER A 14 7.131 -4.326 -1.948 1.00 0.00 C +ATOM 212 O SER A 14 6.912 -4.123 -3.139 1.00 0.00 O +ATOM 213 CB SER A 14 4.713 -4.430 -1.320 1.00 0.00 C +ATOM 214 OG SER A 14 3.852 -4.557 -0.209 1.00 0.00 O +ATOM 215 H SER A 14 6.248 -4.262 0.883 1.00 0.00 H +ATOM 216 HA SER A 14 6.036 -6.095 -1.458 1.00 0.00 H +ATOM 217 HB2 SER A 14 4.851 -3.386 -1.528 1.00 0.00 H +ATOM 218 HB3 SER A 14 4.256 -4.900 -2.188 1.00 0.00 H +ATOM 219 HG SER A 14 4.090 -3.859 0.448 1.00 0.00 H +ATOM 220 N GLY A 15 8.234 -3.851 -1.350 1.00 0.00 N +ATOM 221 CA GLY A 15 9.242 -3.043 -2.046 1.00 0.00 C +ATOM 222 C GLY A 15 8.765 -1.634 -2.430 1.00 0.00 C +ATOM 223 O GLY A 15 9.339 -1.029 -3.333 1.00 0.00 O +ATOM 224 H GLY A 15 8.368 -4.078 -0.374 1.00 0.00 H +ATOM 225 HA2 GLY A 15 10.125 -2.943 -1.415 1.00 0.00 H +ATOM 226 HA3 GLY A 15 9.540 -3.557 -2.962 1.00 0.00 H +ATOM 227 N ARG A 16 7.712 -1.116 -1.776 1.00 0.00 N +ATOM 228 CA ARG A 16 7.012 0.119 -2.159 1.00 0.00 C +ATOM 229 C ARG A 16 6.744 1.004 -0.927 1.00 0.00 C +ATOM 230 O ARG A 16 6.192 0.494 0.050 1.00 0.00 O +ATOM 231 CB ARG A 16 5.715 -0.274 -2.903 1.00 0.00 C +ATOM 232 CG ARG A 16 5.325 0.703 -4.024 1.00 0.00 C +ATOM 233 CD ARG A 16 4.678 2.015 -3.540 1.00 0.00 C +ATOM 234 NE ARG A 16 3.237 2.087 -3.842 1.00 0.00 N +ATOM 235 CZ ARG A 16 2.680 2.273 -5.035 1.00 0.00 C +ATOM 236 NH1 ARG A 16 3.403 2.443 -6.118 1.00 0.00 N +ATOM 237 NH2 ARG A 16 1.375 2.289 -5.163 1.00 0.00 N +ATOM 238 H ARG A 16 7.321 -1.668 -1.025 1.00 0.00 H +ATOM 239 HA ARG A 16 7.663 0.650 -2.853 1.00 0.00 H +ATOM 240 HB2 ARG A 16 5.853 -1.247 -3.334 1.00 0.00 H +ATOM 241 HB3 ARG A 16 4.890 -0.391 -2.200 1.00 0.00 H +ATOM 242 HG2 ARG A 16 6.212 0.951 -4.574 1.00 0.00 H +ATOM 243 HG3 ARG A 16 4.637 0.186 -4.695 1.00 0.00 H +ATOM 244 HD2 ARG A 16 4.810 2.091 -2.478 1.00 0.00 H +ATOM 245 HD3 ARG A 16 5.186 2.860 -4.006 1.00 0.00 H +ATOM 246 HE ARG A 16 2.615 2.042 -3.054 1.00 0.00 H +ATOM 247 HH11 ARG A 16 4.402 2.431 -6.023 1.00 0.00 H +ATOM 248 HH12 ARG A 16 2.980 2.582 -7.018 1.00 0.00 H +ATOM 249 HH21 ARG A 16 0.783 2.132 -4.366 1.00 0.00 H +ATOM 250 HH22 ARG A 16 0.966 2.417 -6.070 1.00 0.00 H +ATOM 251 N PRO A 17 7.089 2.310 -0.946 1.00 0.00 N +ATOM 252 CA PRO A 17 6.885 3.210 0.196 1.00 0.00 C +ATOM 253 C PRO A 17 5.393 3.477 0.503 1.00 0.00 C +ATOM 254 O PRO A 17 4.546 3.303 -0.377 1.00 0.00 O +ATOM 255 CB PRO A 17 7.623 4.504 -0.182 1.00 0.00 C +ATOM 256 CG PRO A 17 7.588 4.505 -1.707 1.00 0.00 C +ATOM 257 CD PRO A 17 7.737 3.023 -2.038 1.00 0.00 C +ATOM 258 HA PRO A 17 7.356 2.774 1.077 1.00 0.00 H +ATOM 259 HB2 PRO A 17 7.117 5.363 0.213 1.00 0.00 H +ATOM 260 HB3 PRO A 17 8.658 4.442 0.155 1.00 0.00 H +ATOM 261 HG2 PRO A 17 6.657 4.893 -2.074 1.00 0.00 H +ATOM 262 HG3 PRO A 17 8.394 5.099 -2.134 1.00 0.00 H +ATOM 263 HD2 PRO A 17 7.256 2.797 -2.970 1.00 0.00 H +ATOM 264 HD3 PRO A 17 8.794 2.757 -2.066 1.00 0.00 H +ATOM 265 N PRO A 18 5.059 3.929 1.730 1.00 0.00 N +ATOM 266 CA PRO A 18 3.682 4.205 2.144 1.00 0.00 C +ATOM 267 C PRO A 18 3.095 5.411 1.383 1.00 0.00 C +ATOM 268 O PRO A 18 3.661 6.502 1.452 1.00 0.00 O +ATOM 269 CB PRO A 18 3.748 4.459 3.655 1.00 0.00 C +ATOM 270 CG PRO A 18 5.175 4.956 3.878 1.00 0.00 C +ATOM 271 CD PRO A 18 5.977 4.185 2.832 1.00 0.00 C +ATOM 272 HA PRO A 18 3.080 3.317 1.975 1.00 0.00 H +ATOM 273 HB2 PRO A 18 3.033 5.203 3.949 1.00 0.00 H +ATOM 274 HB3 PRO A 18 3.609 3.517 4.186 1.00 0.00 H +ATOM 275 HG2 PRO A 18 5.245 6.014 3.714 1.00 0.00 H +ATOM 276 HG3 PRO A 18 5.524 4.748 4.890 1.00 0.00 H +ATOM 277 HD2 PRO A 18 6.810 4.771 2.495 1.00 0.00 H +ATOM 278 HD3 PRO A 18 6.310 3.236 3.253 1.00 0.00 H +ATOM 279 N PRO A 19 1.966 5.253 0.661 1.00 0.00 N +ATOM 280 CA PRO A 19 1.331 6.356 -0.052 1.00 0.00 C +ATOM 281 C PRO A 19 0.578 7.268 0.928 1.00 0.00 C +ATOM 282 O PRO A 19 -0.202 6.793 1.754 1.00 0.00 O +ATOM 283 CB PRO A 19 0.397 5.681 -1.061 1.00 0.00 C +ATOM 284 CG PRO A 19 -0.022 4.391 -0.357 1.00 0.00 C +ATOM 285 CD PRO A 19 1.197 4.027 0.492 1.00 0.00 C +ATOM 286 HA PRO A 19 2.080 6.941 -0.589 1.00 0.00 H +ATOM 287 HB2 PRO A 19 -0.455 6.299 -1.267 1.00 0.00 H +ATOM 288 HB3 PRO A 19 0.960 5.433 -1.961 1.00 0.00 H +ATOM 289 HG2 PRO A 19 -0.883 4.555 0.261 1.00 0.00 H +ATOM 290 HG3 PRO A 19 -0.265 3.606 -1.072 1.00 0.00 H +ATOM 291 HD2 PRO A 19 0.884 3.651 1.447 1.00 0.00 H +ATOM 292 HD3 PRO A 19 1.805 3.288 -0.030 1.00 0.00 H +ATOM 293 N SER A 20 0.794 8.581 0.820 1.00 0.00 N +ATOM 294 CA SER A 20 0.068 9.633 1.546 1.00 0.00 C +ATOM 295 C SER A 20 -0.019 10.895 0.692 1.00 0.00 C +ATOM 296 O SER A 20 0.894 11.061 -0.156 1.00 0.00 O +ATOM 297 CB SER A 20 0.690 9.909 2.920 1.00 0.00 C +ATOM 298 OG SER A 20 2.087 10.037 2.813 1.00 0.00 O +ATOM 299 OXT SER A 20 -1.022 11.612 0.858 1.00 0.00 O +ATOM 300 H SER A 20 1.377 8.948 0.073 1.00 0.00 H +ATOM 301 HA SER A 20 -0.962 9.316 1.705 1.00 0.00 H +ATOM 302 HB2 SER A 20 0.282 10.819 3.316 1.00 0.00 H +ATOM 303 HB3 SER A 20 0.461 9.076 3.584 1.00 0.00 H +ATOM 304 HG SER A 20 2.347 9.513 2.048 1.00 0.00 H +TER 305 SER A 20 +ENDMDL +MASTER 109 0 0 2 0 0 0 611552 38 0 2 +END diff --git a/source/ga/input-templates/1LE1.pdb b/source/ga/input-templates/1LE1.pdb new file mode 100644 index 0000000..9a4e460 --- /dev/null +++ b/source/ga/input-templates/1LE1.pdb @@ -0,0 +1,4612 @@ +HEADER DE NOVO PROTEIN 09-APR-02 1LE1 +TITLE NMR STRUCTURE OF TRYPTOPHAN ZIPPER 2: A STABLE, MONOMERIC +TITLE 2 BETA-HAIRPIN WITH A TYPE I' TURN +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: TRYPTOPHAN ZIPPER 2; +COMPND 3 CHAIN: A; +COMPND 4 ENGINEERED: YES +SOURCE MOL_ID: 1; +SOURCE 2 SYNTHETIC: YES; +SOURCE 3 OTHER_DETAILS: THIS SEQUENCE WAS DESIGNED BASED ON +SOURCE 4 EXPERIMENTAL DATA OBTAINED FROM A MODEL SYSTEM. THE +SOURCE 5 PEPTIDE WAS CHEMICALLY SYNTHESIZED AND DOES NOT APPEAR TO +SOURCE 6 OCCUR IN NATURE. +KEYWDS BETA-HAIRPIN, TYPE I' TURN +EXPDTA NMR, 20 STRUCTURES +AUTHOR A.G.COCHRAN,N.J.SKELTON,M.A.STAROVASNIK +REVDAT 2 20-NOV-02 1LE1 1 REMARK +REVDAT 1 24-APR-02 1LE1 0 +SPRSDE 24-APR-02 1LE1 1HRX +JRNL AUTH A.G.COCHRAN,N.J.SKELTON,M.A.STAROVASNIK +JRNL TITL TRYPTOPHAN ZIPPERS: STABLE, MONOMERIC BETA +JRNL TITL 2 -HAIRPINS. +JRNL REF PROC.NATL.ACAD.SCI.USA V. 98 5578 2001 +JRNL REFN ASTM PNASA6 US ISSN 0027-8424 +REMARK 1 +REMARK 1 REFERENCE 1 +REMARK 1 AUTH N.J.SKELTON,A.G.COCHRAN,M.A.STAROVASNIK +REMARK 1 TITL CHEMICAL-SHIFT-BASED METHODS FOR STRUCTURE +REMARK 1 TITL 2 VALIDATION AND REFINEMENT: APPLICATION TO +REMARK 1 TITL 3 TRYPTOPHAN ZIPPER BETA-HAIRPIN PEPTIDES +REMARK 1 REF TO BE PUBLISHED +REMARK 1 REFN +REMARK 2 +REMARK 2 RESOLUTION. NOT APPLICABLE. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : AMBER 6.0 +REMARK 3 AUTHORS : CASE AND KOLLMAN +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: STRUCTURES ARE BASED ON A TOTAL OF +REMARK 3 80 (INCLUDING 26 INTRA-RESIDUE, 15 SEQUENTIAL, 6 MEDIUM-RANGE, +REMARK 3 AND 33 LONG-RANGE) NOE-DERIVED DISTANCE RESTRAINTS, 15 +REMARK 3 DIHEDRAL ANGLE RESTRAINTS, AND 1H CHEMICAL SHIFT RESTRAINTS +REMARK 3 FOR 39 CARBON-BOUND 1H RESONANCES; (CHEMICAL SHIFT RESTRAINTS +REMARK 3 WERE NOT IMPOSED FOR THE TERMINAL RESIDUES, OR FOR SIDE CHAINS +REMARK 3 EXHIBITING EVIDENCE OF ROTATIONAL AVERAGING). THE ENSEMBLE +REMARK 3 AGREES WELL WITH THE EXPERIMENTAL RESTRAINTS WITH NO DISTANCE +REMARK 3 OR DIHEDRAL ANGLE VIOLATIONS GREATER THAN 0.10 ANGSTROM OR 5 +REMARK 3 DEG, RESPECTIVELY, AND AN AVERAGE RMSD OF ONLY 0.087 PPM +REMARK 3 BETWEEN OBSERVED AND CALCULATED CHEMICAL SHIFTS. +REMARK 4 +REMARK 4 1LE1 COMPLIES WITH FORMAT V. 3.0, 1-DEC-2006 +REMARK 4 +REMARK 4 THIS IS THE REMEDIATED VERSION OF THIS PDB ENTRY. +REMARK 4 REMEDIATED DATA FILE REVISION 3.100 (2007-03-17) +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ . +REMARK 100 THE RCSB ID CODE IS RCSB015868. +REMARK 210 +REMARK 210 EXPERIMENTAL DETAILS +REMARK 210 EXPERIMENT TYPE : NMR +REMARK 210 TEMPERATURE (KELVIN) : 288 +REMARK 210 PH : 5.5 +REMARK 210 IONIC STRENGTH : 0 +REMARK 210 PRESSURE : AMBIENT +REMARK 210 SAMPLE CONTENTS : 3MM TRPZIP2 +REMARK 210 +REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY, DQF-COSY, 2D TOCSY, +REMARK 210 2D ROESY, 2D COSY-35 +REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ +REMARK 210 SPECTROMETER MODEL : DRX +REMARK 210 SPECTROMETER MANUFACTURER : BRUKER +REMARK 210 +REMARK 210 STRUCTURE DETERMINATION. +REMARK 210 SOFTWARE USED : XWINNMR 2.5, FELIX 98.0, DGII +REMARK 210 98.0 +REMARK 210 METHOD USED : HYBRID DISTANCE GEOMETRY/ +REMARK 210 SIMULATED ANNEALING USING THE +REMARK 210 PROGRAM DGII, FOLLOWED BY +REMARK 210 MOLECULAR DYNAMICS USING THE +REMARK 210 PROGRAM AMBER, IN CONJUNCTION +REMARK 210 NOT ONLY WITH DISTANCE AND +REMARK 210 DIHEDRAL ANGLE RESTRAINTS, BUT +REMARK 210 ALSO 1H CHEMICAL SHIFT-BASED +REMARK 210 RESTRAINTS. +REMARK 210 +REMARK 210 CONFORMERS, NUMBER CALCULATED : 76 +REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20 +REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LEAST +REMARK 210 RESTRAINT VIOLATIONS +REMARK 210 +REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 +REMARK 210 +REMARK 210 REMARK: THE STRUCTURE OF TRPZIP2 WAS ORIGINALLY DETERMINED +REMARK 210 USING STANDARD 2D HOMONUCLEAR TECHNIQUES (COCHRAN ET AL., +REMARK 210 2001, PROC. NATL. ACAD. SCI. USA, 98, 5578-5583). DISTANCE AND +REMARK 210 DIHEDRAL ANGLE RESTRAINTS WERE DERIVED FROM ANALYSIS OF NOESY, +REMARK 210 ROESY, DQF-COSY, AND COSY-35 DATA. CHI-1 ROTAMERS AND +REMARK 210 STEREOSPECIFIC ASSIGNMENTS FOR BETA-METHYLENE GROUPS WERE +REMARK 210 BASED ON COMBINED ANALYSIS OF 3JHAHB AND LOCAL ROES, +REMARK 210 SUGGESTING THAT ALL FOUR TRP RESIDUES ADOPT A CHI1 OF -60 DEG. +REMARK 210 QUANTITATIVE ANALYSIS OF THE 1H CHEMICAL SHIFTS, HOWEVER, +REMARK 210 REVEALED THAT THE FREQUENCIES OF THE HB AND HE3 RESONANCES OF +REMARK 210 TRP4 AND TRP11 WERE INCONSISTENT WITH A -60 DEG CHI1 VALUE, +REMARK 210 AND INDICATED THAT THE SIDE CHAINS FOR THESE TRYPTOPHANS +REMARK 210 ACTUALLY RESIDE PRIMARILY IN THE 180 DEG CHI1 ROTAMER (SKELTON +REMARK 210 ET AL., MANUSCRIPT IN PREPARATION). THE CURRENT COORDINATES +REMARK 210 RESULT FROM REFINEMENT WITH THE SANDER MODULE OF AMBER (V6.0), +REMARK 210 AND INCLUDED NOT ONLY NOE-DERIVED DISTANCE RESTRAINTS AND +REMARK 210 DIHEDRAL ANGLE RESTRAINTS, BUT ALSO 1H CHEMICAL SHIFT-BASED +REMARK 210 RESTRAINTS. THUS, THE RESULTING UPDATED COORDINATES DIFFER +REMARK 210 FROM THE PREVIOUS ONES IN THE SIDE CHAIN ORIENTATIONS OF TRP4 +REMARK 210 AND TRP11. HOWEVER, THE REST OF THE STRUCTURE IS SIMILAR WITH +REMARK 210 A BACKBONE RMSD BETWEEN THE AVERAGE COORDINATES OF THE TWO +REMARK 210 ENSEMBLES OF 0.69 ANGSTROM(RES.2-11). THE TWO STRANDS ARE +REMARK 210 HIGHLY TWISTED, AS DESCRIBED PREVIOUSLY, HOWEVER THERE IS A +REMARK 210 SLIGHT DIFFERENCE IN THE RELATIVE POSITION OF THE TURN WITH +REMARK 210 RESPECT TO THE STRANDS. THE KEY DIFFERENCE, HOWEVER, IS THAT +REMARK 210 EACH PAIR OF CROSS-STRAND TRYPTOPHAN RINGS NOW SHOWS EDGE-TO- +REMARK 210 FACE PACKING AGAINST ONE ANOTHER. +REMARK 215 +REMARK 215 NMR STUDY +REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION +REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT +REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON +REMARK 215 THESE RECORDS ARE MEANINGLESS. +REMARK 900 +REMARK 900 RELATED ENTRIES +REMARK 900 RELATED ID: 1LE0 RELATED DB: PDB +REMARK 900 1LE0 CONTAINS TRYPTOPHAN ZIPPER 1 +REMARK 900 RELATED ID: 1LE3 RELATED DB: PDB +REMARK 900 1LE3 CONTAINS TRYPTOPHAN ZIPPER 4 +SEQRES 1 A 12 SER TRP THR TRP GLU ASN GLY LYS TRP THR TRP LYS +HET NH2 A 13 3 +HETNAM NH2 AMINO GROUP +FORMUL 2 NH2 H2 N +SHEET 1 A 2 TRP A 2 GLU A 5 0 +SHEET 2 A 2 LYS A 8 TRP A 11 -1 O THR A 10 N THR A 3 +LINK C LYS A 12 N NH2 A 13 +CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 1.000000 0.000000 0.000000 0.00000 +SCALE2 0.000000 1.000000 0.000000 0.00000 +SCALE3 0.000000 0.000000 1.000000 0.00000 +MODEL 1 +ATOM 1 N SER A 1 -2.559 9.064 0.084 1.00 0.00 N +ATOM 2 CA SER A 1 -3.245 8.118 0.982 1.00 0.00 C +ATOM 3 C SER A 1 -2.725 6.697 0.804 1.00 0.00 C +ATOM 4 O SER A 1 -2.635 6.180 -0.308 1.00 0.00 O +ATOM 5 CB SER A 1 -4.757 8.129 0.767 1.00 0.00 C +ATOM 6 OG SER A 1 -5.352 7.344 1.778 1.00 0.00 O +ATOM 7 HA SER A 1 -3.047 8.429 2.008 1.00 0.00 H +ATOM 8 HB2 SER A 1 -5.133 9.150 0.836 1.00 0.00 H +ATOM 9 HB3 SER A 1 -4.998 7.717 -0.215 1.00 0.00 H +ATOM 10 HG SER A 1 -6.291 7.248 1.593 1.00 0.00 H +ATOM 11 H1 SER A 1 -2.882 10.004 0.269 1.00 0.00 H +ATOM 12 H2 SER A 1 -2.761 8.824 -0.877 1.00 0.00 H +ATOM 13 H3 SER A 1 -1.562 9.017 0.240 1.00 0.00 H +ATOM 14 N TRP A 2 -2.371 6.035 1.905 1.00 0.00 N +ATOM 15 CA TRP A 2 -2.055 4.608 1.891 1.00 0.00 C +ATOM 16 C TRP A 2 -3.337 3.758 1.821 1.00 0.00 C +ATOM 17 O TRP A 2 -4.252 3.931 2.622 1.00 0.00 O +ATOM 18 CB TRP A 2 -1.194 4.267 3.114 1.00 0.00 C +ATOM 19 CG TRP A 2 0.197 4.832 3.076 1.00 0.00 C +ATOM 20 CD1 TRP A 2 0.672 5.854 3.826 1.00 0.00 C +ATOM 21 CD2 TRP A 2 1.330 4.366 2.280 1.00 0.00 C +ATOM 22 NE1 TRP A 2 2.018 6.036 3.562 1.00 0.00 N +ATOM 23 CE2 TRP A 2 2.492 5.094 2.669 1.00 0.00 C +ATOM 24 CE3 TRP A 2 1.495 3.358 1.307 1.00 0.00 C +ATOM 25 CZ2 TRP A 2 3.768 4.797 2.159 1.00 0.00 C +ATOM 26 CZ3 TRP A 2 2.769 3.041 0.797 1.00 0.00 C +ATOM 27 CH2 TRP A 2 3.905 3.751 1.227 1.00 0.00 C +ATOM 28 H TRP A 2 -2.515 6.481 2.797 1.00 0.00 H +ATOM 29 HA TRP A 2 -1.466 4.390 0.999 1.00 0.00 H +ATOM 30 HB2 TRP A 2 -1.695 4.583 4.032 1.00 0.00 H +ATOM 31 HB3 TRP A 2 -1.099 3.183 3.166 1.00 0.00 H +ATOM 32 HD1 TRP A 2 0.088 6.419 4.542 1.00 0.00 H +ATOM 33 HE1 TRP A 2 2.582 6.754 3.994 1.00 0.00 H +ATOM 34 HE3 TRP A 2 0.626 2.811 0.982 1.00 0.00 H +ATOM 35 HZ2 TRP A 2 4.635 5.351 2.483 1.00 0.00 H +ATOM 36 HZ3 TRP A 2 2.884 2.242 0.079 1.00 0.00 H +ATOM 37 HH2 TRP A 2 4.877 3.489 0.834 1.00 0.00 H +ATOM 38 N THR A 3 -3.413 2.838 0.851 1.00 0.00 N +ATOM 39 CA THR A 3 -4.485 1.827 0.703 1.00 0.00 C +ATOM 40 C THR A 3 -3.862 0.430 0.545 1.00 0.00 C +ATOM 41 O THR A 3 -2.723 0.300 0.086 1.00 0.00 O +ATOM 42 CB THR A 3 -5.403 2.197 -0.476 1.00 0.00 C +ATOM 43 OG1 THR A 3 -5.975 3.465 -0.238 1.00 0.00 O +ATOM 44 CG2 THR A 3 -6.572 1.229 -0.680 1.00 0.00 C +ATOM 45 H THR A 3 -2.644 2.788 0.185 1.00 0.00 H +ATOM 46 HA THR A 3 -5.108 1.793 1.602 1.00 0.00 H +ATOM 47 HB THR A 3 -4.812 2.237 -1.391 1.00 0.00 H +ATOM 48 HG1 THR A 3 -5.743 3.735 0.657 1.00 0.00 H +ATOM 49 HG21 THR A 3 -7.275 1.661 -1.392 1.00 0.00 H +ATOM 50 HG22 THR A 3 -6.213 0.281 -1.082 1.00 0.00 H +ATOM 51 HG23 THR A 3 -7.091 1.058 0.264 1.00 0.00 H +ATOM 52 N TRP A 4 -4.554 -0.599 1.052 1.00 0.00 N +ATOM 53 CA TRP A 4 -4.077 -1.984 1.068 1.00 0.00 C +ATOM 54 C TRP A 4 -4.328 -2.716 -0.248 1.00 0.00 C +ATOM 55 O TRP A 4 -5.463 -2.831 -0.716 1.00 0.00 O +ATOM 56 CB TRP A 4 -4.744 -2.756 2.214 1.00 0.00 C +ATOM 57 CG TRP A 4 -4.431 -4.227 2.295 1.00 0.00 C +ATOM 58 CD1 TRP A 4 -5.181 -5.229 1.780 1.00 0.00 C +ATOM 59 CD2 TRP A 4 -3.312 -4.881 2.961 1.00 0.00 C +ATOM 60 NE1 TRP A 4 -4.628 -6.450 2.123 1.00 0.00 N +ATOM 61 CE2 TRP A 4 -3.489 -6.292 2.884 1.00 0.00 C +ATOM 62 CE3 TRP A 4 -2.176 -4.415 3.650 1.00 0.00 C +ATOM 63 CZ2 TRP A 4 -2.612 -7.193 3.506 1.00 0.00 C +ATOM 64 CZ3 TRP A 4 -1.275 -5.303 4.261 1.00 0.00 C +ATOM 65 CH2 TRP A 4 -1.502 -6.689 4.209 1.00 0.00 C +ATOM 66 H TRP A 4 -5.470 -0.430 1.438 1.00 0.00 H +ATOM 67 HA TRP A 4 -3.000 -1.963 1.222 1.00 0.00 H +ATOM 68 HB2 TRP A 4 -4.447 -2.298 3.158 1.00 0.00 H +ATOM 69 HB3 TRP A 4 -5.827 -2.650 2.125 1.00 0.00 H +ATOM 70 HD1 TRP A 4 -6.098 -5.083 1.221 1.00 0.00 H +ATOM 71 HE1 TRP A 4 -5.056 -7.336 1.896 1.00 0.00 H +ATOM 72 HE3 TRP A 4 -2.013 -3.352 3.697 1.00 0.00 H +ATOM 73 HZ2 TRP A 4 -2.783 -8.258 3.448 1.00 0.00 H +ATOM 74 HZ3 TRP A 4 -0.408 -4.915 4.776 1.00 0.00 H +ATOM 75 HH2 TRP A 4 -0.808 -7.360 4.698 1.00 0.00 H +ATOM 76 N GLU A 5 -3.270 -3.336 -0.771 1.00 0.00 N +ATOM 77 CA GLU A 5 -3.331 -4.152 -1.962 1.00 0.00 C +ATOM 78 C GLU A 5 -2.415 -5.368 -1.752 1.00 0.00 C +ATOM 79 O GLU A 5 -1.233 -5.215 -1.452 1.00 0.00 O +ATOM 80 CB GLU A 5 -2.966 -3.283 -3.174 1.00 0.00 C +ATOM 81 CG GLU A 5 -3.063 -4.020 -4.514 1.00 0.00 C +ATOM 82 CD GLU A 5 -2.697 -3.073 -5.657 1.00 0.00 C +ATOM 83 OE1 GLU A 5 -1.480 -2.841 -5.839 1.00 0.00 O +ATOM 84 OE2 GLU A 5 -3.635 -2.580 -6.321 1.00 0.00 O +ATOM 85 H GLU A 5 -2.371 -3.284 -0.290 1.00 0.00 H +ATOM 86 HA GLU A 5 -4.370 -4.452 -2.081 1.00 0.00 H +ATOM 87 HB2 GLU A 5 -3.664 -2.443 -3.211 1.00 0.00 H +ATOM 88 HB3 GLU A 5 -1.959 -2.884 -3.050 1.00 0.00 H +ATOM 89 HG2 GLU A 5 -2.386 -4.874 -4.521 1.00 0.00 H +ATOM 90 HG3 GLU A 5 -4.083 -4.385 -4.654 1.00 0.00 H +ATOM 91 N ASN A 6 -2.982 -6.575 -1.867 1.00 0.00 N +ATOM 92 CA ASN A 6 -2.345 -7.896 -1.830 1.00 0.00 C +ATOM 93 C ASN A 6 -1.084 -8.010 -0.944 1.00 0.00 C +ATOM 94 O ASN A 6 0.025 -8.210 -1.438 1.00 0.00 O +ATOM 95 CB ASN A 6 -2.094 -8.350 -3.282 1.00 0.00 C +ATOM 96 CG ASN A 6 -3.339 -8.330 -4.165 1.00 0.00 C +ATOM 97 OD1 ASN A 6 -4.454 -8.071 -3.735 1.00 0.00 O +ATOM 98 ND2 ASN A 6 -3.180 -8.596 -5.443 1.00 0.00 N +ATOM 99 H ASN A 6 -3.940 -6.600 -2.190 1.00 0.00 H +ATOM 100 HA ASN A 6 -3.072 -8.587 -1.403 1.00 0.00 H +ATOM 101 HB2 ASN A 6 -1.344 -7.695 -3.728 1.00 0.00 H +ATOM 102 HB3 ASN A 6 -1.699 -9.366 -3.269 1.00 0.00 H +ATOM 103 HD21 ASN A 6 -2.284 -8.823 -5.835 1.00 0.00 H +ATOM 104 HD22 ASN A 6 -4.022 -8.532 -5.988 1.00 0.00 H +ATOM 105 N GLY A 7 -1.264 -7.970 0.384 1.00 0.00 N +ATOM 106 CA GLY A 7 -0.160 -8.111 1.339 1.00 0.00 C +ATOM 107 C GLY A 7 0.656 -6.840 1.602 1.00 0.00 C +ATOM 108 O GLY A 7 1.564 -6.899 2.431 1.00 0.00 O +ATOM 109 H GLY A 7 -2.197 -7.857 0.747 1.00 0.00 H +ATOM 110 HA2 GLY A 7 -0.543 -8.470 2.292 1.00 0.00 H +ATOM 111 HA3 GLY A 7 0.535 -8.859 0.962 1.00 0.00 H +ATOM 112 N LYS A 8 0.365 -5.710 0.937 1.00 0.00 N +ATOM 113 CA LYS A 8 1.145 -4.471 1.064 1.00 0.00 C +ATOM 114 C LYS A 8 0.266 -3.216 1.125 1.00 0.00 C +ATOM 115 O LYS A 8 -0.934 -3.239 0.848 1.00 0.00 O +ATOM 116 CB LYS A 8 2.150 -4.394 -0.110 1.00 0.00 C +ATOM 117 CG LYS A 8 3.542 -3.884 0.304 1.00 0.00 C +ATOM 118 CD LYS A 8 4.385 -4.972 0.988 1.00 0.00 C +ATOM 119 CE LYS A 8 5.706 -4.394 1.504 1.00 0.00 C +ATOM 120 NZ LYS A 8 6.664 -5.459 1.847 1.00 0.00 N +ATOM 121 H LYS A 8 -0.372 -5.725 0.233 1.00 0.00 H +ATOM 122 HA LYS A 8 1.697 -4.515 2.003 1.00 0.00 H +ATOM 123 HB2 LYS A 8 2.269 -5.375 -0.576 1.00 0.00 H +ATOM 124 HB3 LYS A 8 1.746 -3.729 -0.878 1.00 0.00 H +ATOM 125 HG2 LYS A 8 4.070 -3.561 -0.595 1.00 0.00 H +ATOM 126 HG3 LYS A 8 3.441 -3.023 0.965 1.00 0.00 H +ATOM 127 HD2 LYS A 8 3.840 -5.406 1.825 1.00 0.00 H +ATOM 128 HD3 LYS A 8 4.596 -5.757 0.259 1.00 0.00 H +ATOM 129 HE2 LYS A 8 6.146 -3.760 0.735 1.00 0.00 H +ATOM 130 HE3 LYS A 8 5.513 -3.789 2.391 1.00 0.00 H +ATOM 131 HZ1 LYS A 8 6.347 -5.949 2.672 1.00 0.00 H +ATOM 132 HZ2 LYS A 8 6.732 -6.111 1.078 1.00 0.00 H +ATOM 133 HZ3 LYS A 8 7.572 -5.055 2.023 1.00 0.00 H +ATOM 134 N TRP A 9 0.893 -2.088 1.458 1.00 0.00 N +ATOM 135 CA TRP A 9 0.313 -0.755 1.333 1.00 0.00 C +ATOM 136 C TRP A 9 0.891 -0.114 0.065 1.00 0.00 C +ATOM 137 O TRP A 9 2.097 -0.196 -0.163 1.00 0.00 O +ATOM 138 CB TRP A 9 0.609 0.069 2.600 1.00 0.00 C +ATOM 139 CG TRP A 9 -0.079 -0.404 3.847 1.00 0.00 C +ATOM 140 CD1 TRP A 9 0.498 -1.073 4.870 1.00 0.00 C +ATOM 141 CD2 TRP A 9 -1.467 -0.192 4.246 1.00 0.00 C +ATOM 142 NE1 TRP A 9 -0.443 -1.315 5.854 1.00 0.00 N +ATOM 143 CE2 TRP A 9 -1.663 -0.753 5.540 1.00 0.00 C +ATOM 144 CE3 TRP A 9 -2.561 0.474 3.662 1.00 0.00 C +ATOM 145 CZ2 TRP A 9 -2.886 -0.653 6.225 1.00 0.00 C +ATOM 146 CZ3 TRP A 9 -3.793 0.583 4.333 1.00 0.00 C +ATOM 147 CH2 TRP A 9 -3.955 0.025 5.613 1.00 0.00 C +ATOM 148 H TRP A 9 1.886 -2.132 1.629 1.00 0.00 H +ATOM 149 HA TRP A 9 -0.769 -0.828 1.222 1.00 0.00 H +ATOM 150 HB2 TRP A 9 1.686 0.117 2.780 1.00 0.00 H +ATOM 151 HB3 TRP A 9 0.273 1.089 2.428 1.00 0.00 H +ATOM 152 HD1 TRP A 9 1.537 -1.375 4.900 1.00 0.00 H +ATOM 153 HE1 TRP A 9 -0.239 -1.812 6.709 1.00 0.00 H +ATOM 154 HE3 TRP A 9 -2.427 0.937 2.700 1.00 0.00 H +ATOM 155 HZ2 TRP A 9 -3.006 -1.088 7.206 1.00 0.00 H +ATOM 156 HZ3 TRP A 9 -4.612 1.116 3.872 1.00 0.00 H +ATOM 157 HH2 TRP A 9 -4.902 0.125 6.125 1.00 0.00 H +ATOM 158 N THR A 10 0.046 0.531 -0.748 1.00 0.00 N +ATOM 159 CA THR A 10 0.472 1.375 -1.878 1.00 0.00 C +ATOM 160 C THR A 10 -0.111 2.787 -1.735 1.00 0.00 C +ATOM 161 O THR A 10 -1.171 2.979 -1.125 1.00 0.00 O +ATOM 162 CB THR A 10 0.194 0.708 -3.240 1.00 0.00 C +ATOM 163 OG1 THR A 10 0.757 1.509 -4.251 1.00 0.00 O +ATOM 164 CG2 THR A 10 -1.276 0.504 -3.601 1.00 0.00 C +ATOM 165 H THR A 10 -0.945 0.541 -0.504 1.00 0.00 H +ATOM 166 HA THR A 10 1.556 1.498 -1.838 1.00 0.00 H +ATOM 167 HB THR A 10 0.687 -0.265 -3.261 1.00 0.00 H +ATOM 168 HG1 THR A 10 0.380 1.228 -5.089 1.00 0.00 H +ATOM 169 HG21 THR A 10 -1.745 -0.171 -2.886 1.00 0.00 H +ATOM 170 HG22 THR A 10 -1.798 1.459 -3.601 1.00 0.00 H +ATOM 171 HG23 THR A 10 -1.350 0.056 -4.594 1.00 0.00 H +ATOM 172 N TRP A 11 0.643 3.792 -2.196 1.00 0.00 N +ATOM 173 CA TRP A 11 0.305 5.209 -2.062 1.00 0.00 C +ATOM 174 C TRP A 11 -0.622 5.647 -3.206 1.00 0.00 C +ATOM 175 O TRP A 11 -0.177 5.884 -4.329 1.00 0.00 O +ATOM 176 CB TRP A 11 1.592 6.054 -1.964 1.00 0.00 C +ATOM 177 CG TRP A 11 1.401 7.529 -1.750 1.00 0.00 C +ATOM 178 CD1 TRP A 11 1.538 8.480 -2.702 1.00 0.00 C +ATOM 179 CD2 TRP A 11 1.030 8.244 -0.531 1.00 0.00 C +ATOM 180 NE1 TRP A 11 1.312 9.728 -2.152 1.00 0.00 N +ATOM 181 CE2 TRP A 11 0.978 9.641 -0.817 1.00 0.00 C +ATOM 182 CE3 TRP A 11 0.706 7.853 0.784 1.00 0.00 C +ATOM 183 CZ2 TRP A 11 0.647 10.599 0.155 1.00 0.00 C +ATOM 184 CZ3 TRP A 11 0.382 8.801 1.772 1.00 0.00 C +ATOM 185 CH2 TRP A 11 0.357 10.171 1.463 1.00 0.00 C +ATOM 186 H TRP A 11 1.478 3.551 -2.712 1.00 0.00 H +ATOM 187 HA TRP A 11 -0.252 5.330 -1.135 1.00 0.00 H +ATOM 188 HB2 TRP A 11 2.197 5.673 -1.139 1.00 0.00 H +ATOM 189 HB3 TRP A 11 2.187 5.915 -2.865 1.00 0.00 H +ATOM 190 HD1 TRP A 11 1.807 8.280 -3.731 1.00 0.00 H +ATOM 191 HE1 TRP A 11 1.397 10.590 -2.672 1.00 0.00 H +ATOM 192 HE3 TRP A 11 0.700 6.801 1.022 1.00 0.00 H +ATOM 193 HZ2 TRP A 11 0.636 11.651 -0.090 1.00 0.00 H +ATOM 194 HZ3 TRP A 11 0.145 8.475 2.774 1.00 0.00 H +ATOM 195 HH2 TRP A 11 0.115 10.892 2.231 1.00 0.00 H +ATOM 196 N LYS A 12 -1.927 5.732 -2.914 1.00 0.00 N +ATOM 197 CA LYS A 12 -3.002 6.119 -3.835 1.00 0.00 C +ATOM 198 C LYS A 12 -3.384 7.586 -3.620 1.00 0.00 C +ATOM 199 O LYS A 12 -3.583 8.050 -2.504 1.00 0.00 O +ATOM 200 CB LYS A 12 -4.237 5.217 -3.619 1.00 0.00 C +ATOM 201 CG LYS A 12 -4.022 3.714 -3.888 1.00 0.00 C +ATOM 202 CD LYS A 12 -3.661 3.366 -5.343 1.00 0.00 C +ATOM 203 CE LYS A 12 -4.848 3.505 -6.302 1.00 0.00 C +ATOM 204 NZ LYS A 12 -4.396 3.513 -7.704 1.00 0.00 N +ATOM 205 H LYS A 12 -2.195 5.599 -1.939 1.00 0.00 H +ATOM 206 HA LYS A 12 -2.646 6.011 -4.859 1.00 0.00 H +ATOM 207 HB2 LYS A 12 -4.570 5.328 -2.585 1.00 0.00 H +ATOM 208 HB3 LYS A 12 -5.045 5.573 -4.260 1.00 0.00 H +ATOM 209 HG2 LYS A 12 -3.231 3.350 -3.234 1.00 0.00 H +ATOM 210 HG3 LYS A 12 -4.936 3.182 -3.623 1.00 0.00 H +ATOM 211 HD2 LYS A 12 -2.842 4.002 -5.679 1.00 0.00 H +ATOM 212 HD3 LYS A 12 -3.318 2.333 -5.383 1.00 0.00 H +ATOM 213 HE2 LYS A 12 -5.530 2.667 -6.154 1.00 0.00 H +ATOM 214 HE3 LYS A 12 -5.380 4.433 -6.095 1.00 0.00 H +ATOM 215 HZ1 LYS A 12 -4.031 2.603 -7.947 1.00 0.00 H +ATOM 216 HZ2 LYS A 12 -5.169 3.739 -8.313 1.00 0.00 H +ATOM 217 HZ3 LYS A 12 -3.668 4.205 -7.814 1.00 0.00 H +TER 218 LYS A 12 +HETATM 219 N NH2 A 13 -3.537 8.337 -4.700 1.00 0.00 N +HETATM 220 HN1 NH2 A 13 -3.387 7.953 -5.617 1.00 0.00 H +HETATM 221 HN2 NH2 A 13 -3.795 9.301 -4.560 1.00 0.00 H +ENDMDL +MODEL 2 +ATOM 1 N SER A 1 -2.339 9.400 1.032 1.00 0.00 N +ATOM 2 CA SER A 1 -3.408 8.399 1.075 1.00 0.00 C +ATOM 3 C SER A 1 -2.824 7.007 0.833 1.00 0.00 C +ATOM 4 O SER A 1 -2.522 6.657 -0.305 1.00 0.00 O +ATOM 5 CB SER A 1 -4.470 8.775 0.039 1.00 0.00 C +ATOM 6 OG SER A 1 -5.586 7.922 0.135 1.00 0.00 O +ATOM 7 HA SER A 1 -3.863 8.421 2.066 1.00 0.00 H +ATOM 8 HB2 SER A 1 -4.799 9.798 0.229 1.00 0.00 H +ATOM 9 HB3 SER A 1 -4.045 8.728 -0.966 1.00 0.00 H +ATOM 10 HG SER A 1 -6.272 8.258 -0.451 1.00 0.00 H +ATOM 11 H1 SER A 1 -2.689 10.297 1.335 1.00 0.00 H +ATOM 12 H2 SER A 1 -1.987 9.474 0.087 1.00 0.00 H +ATOM 13 H3 SER A 1 -1.585 9.108 1.638 1.00 0.00 H +ATOM 14 N TRP A 2 -2.612 6.208 1.887 1.00 0.00 N +ATOM 15 CA TRP A 2 -2.232 4.794 1.745 1.00 0.00 C +ATOM 16 C TRP A 2 -3.478 3.902 1.611 1.00 0.00 C +ATOM 17 O TRP A 2 -4.433 4.072 2.367 1.00 0.00 O +ATOM 18 CB TRP A 2 -1.389 4.336 2.949 1.00 0.00 C +ATOM 19 CG TRP A 2 0.009 4.879 3.034 1.00 0.00 C +ATOM 20 CD1 TRP A 2 0.429 5.885 3.836 1.00 0.00 C +ATOM 21 CD2 TRP A 2 1.206 4.399 2.348 1.00 0.00 C +ATOM 22 NE1 TRP A 2 1.796 6.055 3.691 1.00 0.00 N +ATOM 23 CE2 TRP A 2 2.333 5.127 2.826 1.00 0.00 C +ATOM 24 CE3 TRP A 2 1.452 3.401 1.386 1.00 0.00 C +ATOM 25 CZ2 TRP A 2 3.643 4.844 2.407 1.00 0.00 C +ATOM 26 CZ3 TRP A 2 2.757 3.127 0.933 1.00 0.00 C +ATOM 27 CH2 TRP A 2 3.852 3.836 1.452 1.00 0.00 C +ATOM 28 H TRP A 2 -2.866 6.529 2.810 1.00 0.00 H +ATOM 29 HA TRP A 2 -1.637 4.671 0.842 1.00 0.00 H +ATOM 30 HB2 TRP A 2 -1.918 4.572 3.873 1.00 0.00 H +ATOM 31 HB3 TRP A 2 -1.302 3.248 2.917 1.00 0.00 H +ATOM 32 HD1 TRP A 2 -0.210 6.459 4.494 1.00 0.00 H +ATOM 33 HE1 TRP A 2 2.334 6.764 4.170 1.00 0.00 H +ATOM 34 HE3 TRP A 2 0.614 2.845 1.003 1.00 0.00 H +ATOM 35 HZ2 TRP A 2 4.479 5.394 2.812 1.00 0.00 H +ATOM 36 HZ3 TRP A 2 2.925 2.369 0.182 1.00 0.00 H +ATOM 37 HH2 TRP A 2 4.851 3.610 1.104 1.00 0.00 H +ATOM 38 N THR A 3 -3.448 2.926 0.690 1.00 0.00 N +ATOM 39 CA THR A 3 -4.451 1.850 0.576 1.00 0.00 C +ATOM 40 C THR A 3 -3.787 0.470 0.462 1.00 0.00 C +ATOM 41 O THR A 3 -2.601 0.364 0.137 1.00 0.00 O +ATOM 42 CB THR A 3 -5.438 2.121 -0.572 1.00 0.00 C +ATOM 43 OG1 THR A 3 -6.643 1.459 -0.272 1.00 0.00 O +ATOM 44 CG2 THR A 3 -4.991 1.613 -1.945 1.00 0.00 C +ATOM 45 H THR A 3 -2.636 2.865 0.075 1.00 0.00 H +ATOM 46 HA THR A 3 -5.040 1.834 1.496 1.00 0.00 H +ATOM 47 HB THR A 3 -5.628 3.195 -0.635 1.00 0.00 H +ATOM 48 HG1 THR A 3 -7.180 1.455 -1.068 1.00 0.00 H +ATOM 49 HG21 THR A 3 -3.978 1.954 -2.154 1.00 0.00 H +ATOM 50 HG22 THR A 3 -5.017 0.522 -1.969 1.00 0.00 H +ATOM 51 HG23 THR A 3 -5.662 1.996 -2.715 1.00 0.00 H +ATOM 52 N TRP A 4 -4.514 -0.582 0.857 1.00 0.00 N +ATOM 53 CA TRP A 4 -3.985 -1.941 0.966 1.00 0.00 C +ATOM 54 C TRP A 4 -4.037 -2.733 -0.349 1.00 0.00 C +ATOM 55 O TRP A 4 -5.016 -2.714 -1.096 1.00 0.00 O +ATOM 56 CB TRP A 4 -4.711 -2.665 2.111 1.00 0.00 C +ATOM 57 CG TRP A 4 -4.480 -4.143 2.228 1.00 0.00 C +ATOM 58 CD1 TRP A 4 -5.261 -5.082 1.648 1.00 0.00 C +ATOM 59 CD2 TRP A 4 -3.438 -4.876 2.947 1.00 0.00 C +ATOM 60 NE1 TRP A 4 -4.797 -6.339 1.972 1.00 0.00 N +ATOM 61 CE2 TRP A 4 -3.701 -6.272 2.804 1.00 0.00 C +ATOM 62 CE3 TRP A 4 -2.308 -4.517 3.718 1.00 0.00 C +ATOM 63 CZ2 TRP A 4 -2.933 -7.256 3.440 1.00 0.00 C +ATOM 64 CZ3 TRP A 4 -1.496 -5.500 4.317 1.00 0.00 C +ATOM 65 CH2 TRP A 4 -1.825 -6.863 4.207 1.00 0.00 C +ATOM 66 H TRP A 4 -5.479 -0.417 1.110 1.00 0.00 H +ATOM 67 HA TRP A 4 -2.928 -1.855 1.207 1.00 0.00 H +ATOM 68 HB2 TRP A 4 -4.424 -2.198 3.053 1.00 0.00 H +ATOM 69 HB3 TRP A 4 -5.784 -2.512 1.989 1.00 0.00 H +ATOM 70 HD1 TRP A 4 -6.133 -4.864 1.042 1.00 0.00 H +ATOM 71 HE1 TRP A 4 -5.253 -7.191 1.677 1.00 0.00 H +ATOM 72 HE3 TRP A 4 -2.070 -3.471 3.844 1.00 0.00 H +ATOM 73 HZ2 TRP A 4 -3.194 -8.300 3.344 1.00 0.00 H +ATOM 74 HZ3 TRP A 4 -0.610 -5.208 4.865 1.00 0.00 H +ATOM 75 HH2 TRP A 4 -1.210 -7.610 4.691 1.00 0.00 H +ATOM 76 N GLU A 5 -2.953 -3.464 -0.607 1.00 0.00 N +ATOM 77 CA GLU A 5 -2.667 -4.125 -1.860 1.00 0.00 C +ATOM 78 C GLU A 5 -1.994 -5.489 -1.563 1.00 0.00 C +ATOM 79 O GLU A 5 -0.787 -5.541 -1.341 1.00 0.00 O +ATOM 80 CB GLU A 5 -1.805 -3.140 -2.682 1.00 0.00 C +ATOM 81 CG GLU A 5 -1.315 -3.641 -4.045 1.00 0.00 C +ATOM 82 CD GLU A 5 -0.334 -2.642 -4.666 1.00 0.00 C +ATOM 83 OE1 GLU A 5 0.829 -2.622 -4.206 1.00 0.00 O +ATOM 84 OE2 GLU A 5 -0.759 -1.909 -5.586 1.00 0.00 O +ATOM 85 H GLU A 5 -2.176 -3.427 0.053 1.00 0.00 H +ATOM 86 HA GLU A 5 -3.624 -4.258 -2.362 1.00 0.00 H +ATOM 87 HB2 GLU A 5 -2.396 -2.239 -2.859 1.00 0.00 H +ATOM 88 HB3 GLU A 5 -0.939 -2.844 -2.085 1.00 0.00 H +ATOM 89 HG2 GLU A 5 -0.812 -4.601 -3.929 1.00 0.00 H +ATOM 90 HG3 GLU A 5 -2.172 -3.773 -4.707 1.00 0.00 H +ATOM 91 N ASN A 6 -2.783 -6.575 -1.474 1.00 0.00 N +ATOM 92 CA ASN A 6 -2.378 -7.982 -1.261 1.00 0.00 C +ATOM 93 C ASN A 6 -1.084 -8.205 -0.447 1.00 0.00 C +ATOM 94 O ASN A 6 -0.108 -8.756 -0.957 1.00 0.00 O +ATOM 95 CB ASN A 6 -2.314 -8.720 -2.612 1.00 0.00 C +ATOM 96 CG ASN A 6 -3.636 -8.717 -3.352 1.00 0.00 C +ATOM 97 OD1 ASN A 6 -4.688 -8.964 -2.785 1.00 0.00 O +ATOM 98 ND2 ASN A 6 -3.631 -8.430 -4.637 1.00 0.00 N +ATOM 99 H ASN A 6 -3.771 -6.420 -1.608 1.00 0.00 H +ATOM 100 HA ASN A 6 -3.170 -8.466 -0.690 1.00 0.00 H +ATOM 101 HB2 ASN A 6 -1.532 -8.275 -3.226 1.00 0.00 H +ATOM 102 HB3 ASN A 6 -2.049 -9.763 -2.428 1.00 0.00 H +ATOM 103 HD21 ASN A 6 -2.785 -8.238 -5.145 1.00 0.00 H +ATOM 104 HD22 ASN A 6 -4.540 -8.449 -5.066 1.00 0.00 H +ATOM 105 N GLY A 7 -1.067 -7.787 0.823 1.00 0.00 N +ATOM 106 CA GLY A 7 0.080 -7.967 1.717 1.00 0.00 C +ATOM 107 C GLY A 7 0.946 -6.719 1.908 1.00 0.00 C +ATOM 108 O GLY A 7 1.741 -6.705 2.845 1.00 0.00 O +ATOM 109 H GLY A 7 -1.872 -7.290 1.177 1.00 0.00 H +ATOM 110 HA2 GLY A 7 -0.273 -8.292 2.693 1.00 0.00 H +ATOM 111 HA3 GLY A 7 0.726 -8.762 1.344 1.00 0.00 H +ATOM 112 N LYS A 8 0.787 -5.670 1.083 1.00 0.00 N +ATOM 113 CA LYS A 8 1.484 -4.387 1.263 1.00 0.00 C +ATOM 114 C LYS A 8 0.523 -3.189 1.222 1.00 0.00 C +ATOM 115 O LYS A 8 -0.662 -3.330 0.926 1.00 0.00 O +ATOM 116 CB LYS A 8 2.675 -4.299 0.280 1.00 0.00 C +ATOM 117 CG LYS A 8 2.371 -3.771 -1.140 1.00 0.00 C +ATOM 118 CD LYS A 8 2.962 -4.618 -2.282 1.00 0.00 C +ATOM 119 CE LYS A 8 2.056 -5.774 -2.722 1.00 0.00 C +ATOM 120 NZ LYS A 8 2.069 -6.901 -1.777 1.00 0.00 N +ATOM 121 H LYS A 8 0.131 -5.745 0.305 1.00 0.00 H +ATOM 122 HA LYS A 8 1.909 -4.383 2.267 1.00 0.00 H +ATOM 123 HB2 LYS A 8 3.423 -3.637 0.719 1.00 0.00 H +ATOM 124 HB3 LYS A 8 3.145 -5.282 0.216 1.00 0.00 H +ATOM 125 HG2 LYS A 8 1.298 -3.664 -1.299 1.00 0.00 H +ATOM 126 HG3 LYS A 8 2.807 -2.774 -1.213 1.00 0.00 H +ATOM 127 HD2 LYS A 8 3.089 -3.968 -3.148 1.00 0.00 H +ATOM 128 HD3 LYS A 8 3.948 -4.997 -2.010 1.00 0.00 H +ATOM 129 HE2 LYS A 8 1.035 -5.406 -2.838 1.00 0.00 H +ATOM 130 HE3 LYS A 8 2.402 -6.132 -3.690 1.00 0.00 H +ATOM 131 HZ1 LYS A 8 1.492 -6.679 -0.977 1.00 0.00 H +ATOM 132 HZ2 LYS A 8 1.692 -7.725 -2.227 1.00 0.00 H +ATOM 133 HZ3 LYS A 8 3.014 -7.085 -1.476 1.00 0.00 H +ATOM 134 N TRP A 9 1.036 -1.997 1.526 1.00 0.00 N +ATOM 135 CA TRP A 9 0.332 -0.730 1.313 1.00 0.00 C +ATOM 136 C TRP A 9 0.945 -0.020 0.100 1.00 0.00 C +ATOM 137 O TRP A 9 2.163 -0.034 -0.070 1.00 0.00 O +ATOM 138 CB TRP A 9 0.416 0.155 2.569 1.00 0.00 C +ATOM 139 CG TRP A 9 -0.239 -0.371 3.815 1.00 0.00 C +ATOM 140 CD1 TRP A 9 0.410 -0.997 4.821 1.00 0.00 C +ATOM 141 CD2 TRP A 9 -1.630 -0.249 4.263 1.00 0.00 C +ATOM 142 NE1 TRP A 9 -0.479 -1.308 5.829 1.00 0.00 N +ATOM 143 CE2 TRP A 9 -1.738 -0.818 5.566 1.00 0.00 C +ATOM 144 CE3 TRP A 9 -2.799 0.336 3.734 1.00 0.00 C +ATOM 145 CZ2 TRP A 9 -2.935 -0.810 6.301 1.00 0.00 C +ATOM 146 CZ3 TRP A 9 -4.009 0.350 4.454 1.00 0.00 C +ATOM 147 CH2 TRP A 9 -4.077 -0.218 5.738 1.00 0.00 C +ATOM 148 H TRP A 9 2.019 -1.947 1.746 1.00 0.00 H +ATOM 149 HA TRP A 9 -0.720 -0.919 1.105 1.00 0.00 H +ATOM 150 HB2 TRP A 9 1.467 0.354 2.785 1.00 0.00 H +ATOM 151 HB3 TRP A 9 -0.044 1.116 2.350 1.00 0.00 H +ATOM 152 HD1 TRP A 9 1.469 -1.222 4.826 1.00 0.00 H +ATOM 153 HE1 TRP A 9 -0.224 -1.818 6.663 1.00 0.00 H +ATOM 154 HE3 TRP A 9 -2.738 0.811 2.771 1.00 0.00 H +ATOM 155 HZ2 TRP A 9 -2.979 -1.262 7.281 1.00 0.00 H +ATOM 156 HZ3 TRP A 9 -4.889 0.814 4.030 1.00 0.00 H +ATOM 157 HH2 TRP A 9 -5.008 -0.195 6.290 1.00 0.00 H +ATOM 158 N THR A 10 0.103 0.624 -0.714 1.00 0.00 N +ATOM 159 CA THR A 10 0.493 1.535 -1.803 1.00 0.00 C +ATOM 160 C THR A 10 -0.139 2.917 -1.597 1.00 0.00 C +ATOM 161 O THR A 10 -1.283 3.049 -1.152 1.00 0.00 O +ATOM 162 CB THR A 10 0.133 0.927 -3.168 1.00 0.00 C +ATOM 163 OG1 THR A 10 0.749 1.666 -4.195 1.00 0.00 O +ATOM 164 CG2 THR A 10 -1.370 0.917 -3.446 1.00 0.00 C +ATOM 165 H THR A 10 -0.896 0.535 -0.525 1.00 0.00 H +ATOM 166 HA THR A 10 1.577 1.672 -1.805 1.00 0.00 H +ATOM 167 HB THR A 10 0.511 -0.095 -3.208 1.00 0.00 H +ATOM 168 HG1 THR A 10 0.462 1.293 -5.034 1.00 0.00 H +ATOM 169 HG21 THR A 10 -1.733 1.938 -3.571 1.00 0.00 H +ATOM 170 HG22 THR A 10 -1.575 0.356 -4.354 1.00 0.00 H +ATOM 171 HG23 THR A 10 -1.892 0.449 -2.612 1.00 0.00 H +ATOM 172 N TRP A 11 0.645 3.962 -1.854 1.00 0.00 N +ATOM 173 CA TRP A 11 0.242 5.362 -1.831 1.00 0.00 C +ATOM 174 C TRP A 11 -0.627 5.729 -3.052 1.00 0.00 C +ATOM 175 O TRP A 11 -0.115 5.876 -4.160 1.00 0.00 O +ATOM 176 CB TRP A 11 1.528 6.191 -1.770 1.00 0.00 C +ATOM 177 CG TRP A 11 1.325 7.658 -1.639 1.00 0.00 C +ATOM 178 CD1 TRP A 11 1.439 8.567 -2.630 1.00 0.00 C +ATOM 179 CD2 TRP A 11 0.997 8.402 -0.436 1.00 0.00 C +ATOM 180 NE1 TRP A 11 1.208 9.829 -2.117 1.00 0.00 N +ATOM 181 CE2 TRP A 11 0.977 9.790 -0.754 1.00 0.00 C +ATOM 182 CE3 TRP A 11 0.723 8.031 0.895 1.00 0.00 C +ATOM 183 CZ2 TRP A 11 0.746 10.773 0.220 1.00 0.00 C +ATOM 184 CZ3 TRP A 11 0.504 9.006 1.881 1.00 0.00 C +ATOM 185 CH2 TRP A 11 0.526 10.376 1.553 1.00 0.00 C +ATOM 186 H TRP A 11 1.599 3.772 -2.123 1.00 0.00 H +ATOM 187 HA TRP A 11 -0.332 5.555 -0.924 1.00 0.00 H +ATOM 188 HB2 TRP A 11 2.106 5.866 -0.911 1.00 0.00 H +ATOM 189 HB3 TRP A 11 2.159 5.986 -2.634 1.00 0.00 H +ATOM 190 HD1 TRP A 11 1.686 8.319 -3.656 1.00 0.00 H +ATOM 191 HE1 TRP A 11 1.231 10.668 -2.678 1.00 0.00 H +ATOM 192 HE3 TRP A 11 0.690 6.982 1.147 1.00 0.00 H +ATOM 193 HZ2 TRP A 11 0.741 11.818 -0.052 1.00 0.00 H +ATOM 194 HZ3 TRP A 11 0.282 8.682 2.884 1.00 0.00 H +ATOM 195 HH2 TRP A 11 0.342 11.120 2.317 1.00 0.00 H +ATOM 196 N LYS A 12 -1.944 5.902 -2.859 1.00 0.00 N +ATOM 197 CA LYS A 12 -2.937 6.234 -3.900 1.00 0.00 C +ATOM 198 C LYS A 12 -3.288 7.729 -3.840 1.00 0.00 C +ATOM 199 O LYS A 12 -4.442 8.136 -3.766 1.00 0.00 O +ATOM 200 CB LYS A 12 -4.141 5.269 -3.789 1.00 0.00 C +ATOM 201 CG LYS A 12 -4.851 4.929 -5.118 1.00 0.00 C +ATOM 202 CD LYS A 12 -5.856 5.955 -5.668 1.00 0.00 C +ATOM 203 CE LYS A 12 -5.260 6.990 -6.629 1.00 0.00 C +ATOM 204 NZ LYS A 12 -6.308 7.904 -7.113 1.00 0.00 N +ATOM 205 H LYS A 12 -2.266 5.893 -1.891 1.00 0.00 H +ATOM 206 HA LYS A 12 -2.474 6.063 -4.872 1.00 0.00 H +ATOM 207 HB2 LYS A 12 -3.765 4.318 -3.406 1.00 0.00 H +ATOM 208 HB3 LYS A 12 -4.864 5.634 -3.058 1.00 0.00 H +ATOM 209 HG2 LYS A 12 -4.113 4.686 -5.883 1.00 0.00 H +ATOM 210 HG3 LYS A 12 -5.422 4.017 -4.934 1.00 0.00 H +ATOM 211 HD2 LYS A 12 -6.620 5.408 -6.223 1.00 0.00 H +ATOM 212 HD3 LYS A 12 -6.350 6.466 -4.841 1.00 0.00 H +ATOM 213 HE2 LYS A 12 -4.491 7.568 -6.119 1.00 0.00 H +ATOM 214 HE3 LYS A 12 -4.813 6.481 -7.484 1.00 0.00 H +ATOM 215 HZ1 LYS A 12 -6.967 7.391 -7.682 1.00 0.00 H +ATOM 216 HZ2 LYS A 12 -6.794 8.301 -6.320 1.00 0.00 H +ATOM 217 HZ3 LYS A 12 -5.895 8.645 -7.659 1.00 0.00 H +TER 218 LYS A 12 +HETATM 219 N NH2 A 13 -2.267 8.575 -3.849 1.00 0.00 N +HETATM 220 HN1 NH2 A 13 -1.328 8.205 -3.883 1.00 0.00 H +HETATM 221 HN2 NH2 A 13 -2.455 9.564 -3.819 1.00 0.00 H +ENDMDL +MODEL 3 +ATOM 1 N SER A 1 -3.796 9.020 -0.193 1.00 0.00 N +ATOM 2 CA SER A 1 -3.119 8.485 1.007 1.00 0.00 C +ATOM 3 C SER A 1 -2.615 7.046 0.776 1.00 0.00 C +ATOM 4 O SER A 1 -2.309 6.673 -0.352 1.00 0.00 O +ATOM 5 CB SER A 1 -4.041 8.628 2.230 1.00 0.00 C +ATOM 6 OG SER A 1 -4.201 9.999 2.525 1.00 0.00 O +ATOM 7 HA SER A 1 -2.231 9.096 1.185 1.00 0.00 H +ATOM 8 HB2 SER A 1 -5.011 8.178 2.017 1.00 0.00 H +ATOM 9 HB3 SER A 1 -3.599 8.141 3.098 1.00 0.00 H +ATOM 10 HG SER A 1 -4.701 10.091 3.341 1.00 0.00 H +ATOM 11 H1 SER A 1 -3.300 8.729 -1.024 1.00 0.00 H +ATOM 12 H2 SER A 1 -3.812 10.029 -0.141 1.00 0.00 H +ATOM 13 H3 SER A 1 -4.744 8.675 -0.226 1.00 0.00 H +ATOM 14 N TRP A 2 -2.436 6.250 1.832 1.00 0.00 N +ATOM 15 CA TRP A 2 -2.073 4.834 1.735 1.00 0.00 C +ATOM 16 C TRP A 2 -3.319 3.953 1.623 1.00 0.00 C +ATOM 17 O TRP A 2 -4.294 4.189 2.325 1.00 0.00 O +ATOM 18 CB TRP A 2 -1.248 4.465 2.982 1.00 0.00 C +ATOM 19 CG TRP A 2 0.133 5.037 3.074 1.00 0.00 C +ATOM 20 CD1 TRP A 2 0.534 6.040 3.889 1.00 0.00 C +ATOM 21 CD2 TRP A 2 1.339 4.559 2.409 1.00 0.00 C +ATOM 22 NE1 TRP A 2 1.894 6.243 3.738 1.00 0.00 N +ATOM 23 CE2 TRP A 2 2.447 5.323 2.873 1.00 0.00 C +ATOM 24 CE3 TRP A 2 1.612 3.508 1.508 1.00 0.00 C +ATOM 25 CZ2 TRP A 2 3.763 5.073 2.447 1.00 0.00 C +ATOM 26 CZ3 TRP A 2 2.922 3.241 1.071 1.00 0.00 C +ATOM 27 CH2 TRP A 2 3.998 4.028 1.537 1.00 0.00 C +ATOM 28 H TRP A 2 -2.662 6.584 2.753 1.00 0.00 H +ATOM 29 HA TRP A 2 -1.508 4.707 0.815 1.00 0.00 H +ATOM 30 HB2 TRP A 2 -1.811 4.773 3.859 1.00 0.00 H +ATOM 31 HB3 TRP A 2 -1.157 3.385 3.049 1.00 0.00 H +ATOM 32 HD1 TRP A 2 -0.108 6.608 4.542 1.00 0.00 H +ATOM 33 HE1 TRP A 2 2.399 6.985 4.193 1.00 0.00 H +ATOM 34 HE3 TRP A 2 0.794 2.896 1.174 1.00 0.00 H +ATOM 35 HZ2 TRP A 2 4.580 5.674 2.812 1.00 0.00 H +ATOM 36 HZ3 TRP A 2 3.115 2.428 0.388 1.00 0.00 H +ATOM 37 HH2 TRP A 2 5.003 3.819 1.199 1.00 0.00 H +ATOM 38 N THR A 3 -3.257 2.896 0.795 1.00 0.00 N +ATOM 39 CA THR A 3 -4.321 1.882 0.683 1.00 0.00 C +ATOM 40 C THR A 3 -3.754 0.450 0.577 1.00 0.00 C +ATOM 41 O THR A 3 -2.602 0.262 0.156 1.00 0.00 O +ATOM 42 CB THR A 3 -5.281 2.243 -0.473 1.00 0.00 C +ATOM 43 OG1 THR A 3 -6.553 1.728 -0.159 1.00 0.00 O +ATOM 44 CG2 THR A 3 -4.909 1.740 -1.870 1.00 0.00 C +ATOM 45 H THR A 3 -2.431 2.765 0.208 1.00 0.00 H +ATOM 46 HA THR A 3 -4.917 1.910 1.600 1.00 0.00 H +ATOM 47 HB THR A 3 -5.358 3.332 -0.513 1.00 0.00 H +ATOM 48 HG1 THR A 3 -6.754 1.036 -0.792 1.00 0.00 H +ATOM 49 HG21 THR A 3 -3.924 2.116 -2.150 1.00 0.00 H +ATOM 50 HG22 THR A 3 -4.908 0.651 -1.899 1.00 0.00 H +ATOM 51 HG23 THR A 3 -5.644 2.111 -2.584 1.00 0.00 H +ATOM 52 N TRP A 4 -4.484 -0.545 1.096 1.00 0.00 N +ATOM 53 CA TRP A 4 -4.045 -1.942 1.193 1.00 0.00 C +ATOM 54 C TRP A 4 -4.261 -2.731 -0.115 1.00 0.00 C +ATOM 55 O TRP A 4 -5.386 -2.883 -0.580 1.00 0.00 O +ATOM 56 CB TRP A 4 -4.729 -2.613 2.397 1.00 0.00 C +ATOM 57 CG TRP A 4 -4.478 -4.089 2.568 1.00 0.00 C +ATOM 58 CD1 TRP A 4 -5.289 -5.075 2.120 1.00 0.00 C +ATOM 59 CD2 TRP A 4 -3.392 -4.762 3.285 1.00 0.00 C +ATOM 60 NE1 TRP A 4 -4.767 -6.303 2.475 1.00 0.00 N +ATOM 61 CE2 TRP A 4 -3.617 -6.168 3.221 1.00 0.00 C +ATOM 62 CE3 TRP A 4 -2.258 -4.326 4.003 1.00 0.00 C +ATOM 63 CZ2 TRP A 4 -2.777 -7.094 3.859 1.00 0.00 C +ATOM 64 CZ3 TRP A 4 -1.409 -5.246 4.639 1.00 0.00 C +ATOM 65 CH2 TRP A 4 -1.671 -6.623 4.580 1.00 0.00 C +ATOM 66 H TRP A 4 -5.406 -0.318 1.448 1.00 0.00 H +ATOM 67 HA TRP A 4 -2.976 -1.939 1.384 1.00 0.00 H +ATOM 68 HB2 TRP A 4 -4.384 -2.110 3.305 1.00 0.00 H +ATOM 69 HB3 TRP A 4 -5.808 -2.460 2.328 1.00 0.00 H +ATOM 70 HD1 TRP A 4 -6.204 -4.907 1.572 1.00 0.00 H +ATOM 71 HE1 TRP A 4 -5.206 -7.182 2.251 1.00 0.00 H +ATOM 72 HE3 TRP A 4 -2.056 -3.263 4.069 1.00 0.00 H +ATOM 73 HZ2 TRP A 4 -2.982 -8.152 3.800 1.00 0.00 H +ATOM 74 HZ3 TRP A 4 -0.557 -4.884 5.199 1.00 0.00 H +ATOM 75 HH2 TRP A 4 -1.014 -7.318 5.084 1.00 0.00 H +ATOM 76 N GLU A 5 -3.160 -3.211 -0.700 1.00 0.00 N +ATOM 77 CA GLU A 5 -3.091 -3.885 -1.995 1.00 0.00 C +ATOM 78 C GLU A 5 -2.285 -5.192 -1.881 1.00 0.00 C +ATOM 79 O GLU A 5 -1.160 -5.179 -1.396 1.00 0.00 O +ATOM 80 CB GLU A 5 -2.438 -2.923 -3.010 1.00 0.00 C +ATOM 81 CG GLU A 5 -2.216 -3.476 -4.430 1.00 0.00 C +ATOM 82 CD GLU A 5 -3.487 -3.541 -5.284 1.00 0.00 C +ATOM 83 OE1 GLU A 5 -4.499 -4.081 -4.789 1.00 0.00 O +ATOM 84 OE2 GLU A 5 -3.418 -3.063 -6.438 1.00 0.00 O +ATOM 85 H GLU A 5 -2.286 -3.113 -0.199 1.00 0.00 H +ATOM 86 HA GLU A 5 -4.107 -4.113 -2.322 1.00 0.00 H +ATOM 87 HB2 GLU A 5 -3.039 -2.015 -3.082 1.00 0.00 H +ATOM 88 HB3 GLU A 5 -1.460 -2.637 -2.618 1.00 0.00 H +ATOM 89 HG2 GLU A 5 -1.502 -2.823 -4.933 1.00 0.00 H +ATOM 90 HG3 GLU A 5 -1.764 -4.466 -4.387 1.00 0.00 H +ATOM 91 N ASN A 6 -2.842 -6.315 -2.354 1.00 0.00 N +ATOM 92 CA ASN A 6 -2.166 -7.607 -2.564 1.00 0.00 C +ATOM 93 C ASN A 6 -1.207 -8.085 -1.438 1.00 0.00 C +ATOM 94 O ASN A 6 -0.172 -8.692 -1.727 1.00 0.00 O +ATOM 95 CB ASN A 6 -1.499 -7.554 -3.957 1.00 0.00 C +ATOM 96 CG ASN A 6 -1.451 -8.907 -4.646 1.00 0.00 C +ATOM 97 OD1 ASN A 6 -2.280 -9.225 -5.480 1.00 0.00 O +ATOM 98 ND2 ASN A 6 -0.495 -9.744 -4.313 1.00 0.00 N +ATOM 99 H ASN A 6 -3.772 -6.227 -2.743 1.00 0.00 H +ATOM 100 HA ASN A 6 -2.954 -8.361 -2.617 1.00 0.00 H +ATOM 101 HB2 ASN A 6 -2.058 -6.889 -4.611 1.00 0.00 H +ATOM 102 HB3 ASN A 6 -0.491 -7.153 -3.866 1.00 0.00 H +ATOM 103 HD21 ASN A 6 0.093 -9.520 -3.515 1.00 0.00 H +ATOM 104 HD22 ASN A 6 -0.490 -10.628 -4.789 1.00 0.00 H +ATOM 105 N GLY A 7 -1.538 -7.832 -0.164 1.00 0.00 N +ATOM 106 CA GLY A 7 -0.729 -8.204 1.009 1.00 0.00 C +ATOM 107 C GLY A 7 0.112 -7.069 1.625 1.00 0.00 C +ATOM 108 O GLY A 7 0.763 -7.291 2.654 1.00 0.00 O +ATOM 109 H GLY A 7 -2.396 -7.330 -0.002 1.00 0.00 H +ATOM 110 HA2 GLY A 7 -1.377 -8.605 1.787 1.00 0.00 H +ATOM 111 HA3 GLY A 7 -0.028 -8.993 0.734 1.00 0.00 H +ATOM 112 N LYS A 8 0.087 -5.850 1.055 1.00 0.00 N +ATOM 113 CA LYS A 8 0.918 -4.726 1.489 1.00 0.00 C +ATOM 114 C LYS A 8 0.148 -3.401 1.473 1.00 0.00 C +ATOM 115 O LYS A 8 -1.024 -3.353 1.086 1.00 0.00 O +ATOM 116 CB LYS A 8 2.196 -4.691 0.632 1.00 0.00 C +ATOM 117 CG LYS A 8 1.957 -4.540 -0.886 1.00 0.00 C +ATOM 118 CD LYS A 8 3.145 -3.881 -1.606 1.00 0.00 C +ATOM 119 CE LYS A 8 4.491 -4.588 -1.383 1.00 0.00 C +ATOM 120 NZ LYS A 8 5.576 -3.608 -1.192 1.00 0.00 N +ATOM 121 H LYS A 8 -0.484 -5.716 0.215 1.00 0.00 H +ATOM 122 HA LYS A 8 1.222 -4.943 2.506 1.00 0.00 H +ATOM 123 HB2 LYS A 8 2.826 -3.871 0.979 1.00 0.00 H +ATOM 124 HB3 LYS A 8 2.750 -5.618 0.793 1.00 0.00 H +ATOM 125 HG2 LYS A 8 1.757 -5.520 -1.327 1.00 0.00 H +ATOM 126 HG3 LYS A 8 1.091 -3.899 -1.059 1.00 0.00 H +ATOM 127 HD2 LYS A 8 2.942 -3.859 -2.679 1.00 0.00 H +ATOM 128 HD3 LYS A 8 3.211 -2.849 -1.259 1.00 0.00 H +ATOM 129 HE2 LYS A 8 4.437 -5.226 -0.500 1.00 0.00 H +ATOM 130 HE3 LYS A 8 4.713 -5.210 -2.251 1.00 0.00 H +ATOM 131 HZ1 LYS A 8 5.466 -3.165 -0.289 1.00 0.00 H +ATOM 132 HZ2 LYS A 8 6.471 -4.077 -1.232 1.00 0.00 H +ATOM 133 HZ3 LYS A 8 5.525 -2.905 -1.917 1.00 0.00 H +ATOM 134 N TRP A 9 0.797 -2.292 1.839 1.00 0.00 N +ATOM 135 CA TRP A 9 0.262 -0.937 1.641 1.00 0.00 C +ATOM 136 C TRP A 9 0.954 -0.299 0.438 1.00 0.00 C +ATOM 137 O TRP A 9 2.167 -0.453 0.254 1.00 0.00 O +ATOM 138 CB TRP A 9 0.422 -0.040 2.878 1.00 0.00 C +ATOM 139 CG TRP A 9 -0.321 -0.463 4.111 1.00 0.00 C +ATOM 140 CD1 TRP A 9 0.203 -1.186 5.122 1.00 0.00 C +ATOM 141 CD2 TRP A 9 -1.656 -0.060 4.556 1.00 0.00 C +ATOM 142 NE1 TRP A 9 -0.710 -1.274 6.153 1.00 0.00 N +ATOM 143 CE2 TRP A 9 -1.852 -0.553 5.878 1.00 0.00 C +ATOM 144 CE3 TRP A 9 -2.699 0.715 4.003 1.00 0.00 C +ATOM 145 CZ2 TRP A 9 -3.011 -0.284 6.623 1.00 0.00 C +ATOM 146 CZ3 TRP A 9 -3.868 0.993 4.739 1.00 0.00 C +ATOM 147 CH2 TRP A 9 -4.030 0.488 6.039 1.00 0.00 C +ATOM 148 H TRP A 9 1.778 -2.372 2.059 1.00 0.00 H +ATOM 149 HA TRP A 9 -0.803 -0.993 1.413 1.00 0.00 H +ATOM 150 HB2 TRP A 9 1.481 0.093 3.121 1.00 0.00 H +ATOM 151 HB3 TRP A 9 0.050 0.952 2.609 1.00 0.00 H +ATOM 152 HD1 TRP A 9 1.199 -1.615 5.122 1.00 0.00 H +ATOM 153 HE1 TRP A 9 -0.526 -1.747 7.030 1.00 0.00 H +ATOM 154 HE3 TRP A 9 -2.566 1.143 3.021 1.00 0.00 H +ATOM 155 HZ2 TRP A 9 -3.121 -0.672 7.624 1.00 0.00 H +ATOM 156 HZ3 TRP A 9 -4.652 1.588 4.295 1.00 0.00 H +ATOM 157 HH2 TRP A 9 -4.930 0.705 6.597 1.00 0.00 H +ATOM 158 N THR A 10 0.203 0.498 -0.336 1.00 0.00 N +ATOM 159 CA THR A 10 0.667 1.269 -1.499 1.00 0.00 C +ATOM 160 C THR A 10 0.077 2.686 -1.421 1.00 0.00 C +ATOM 161 O THR A 10 -1.065 2.874 -0.995 1.00 0.00 O +ATOM 162 CB THR A 10 0.339 0.485 -2.782 1.00 0.00 C +ATOM 163 OG1 THR A 10 1.147 0.952 -3.830 1.00 0.00 O +ATOM 164 CG2 THR A 10 -1.120 0.526 -3.233 1.00 0.00 C +ATOM 165 H THR A 10 -0.801 0.529 -0.136 1.00 0.00 H +ATOM 166 HA THR A 10 1.753 1.370 -1.464 1.00 0.00 H +ATOM 167 HB THR A 10 0.600 -0.559 -2.603 1.00 0.00 H +ATOM 168 HG1 THR A 10 0.673 1.643 -4.297 1.00 0.00 H +ATOM 169 HG21 THR A 10 -1.769 0.171 -2.429 1.00 0.00 H +ATOM 170 HG22 THR A 10 -1.413 1.541 -3.509 1.00 0.00 H +ATOM 171 HG23 THR A 10 -1.249 -0.131 -4.096 1.00 0.00 H +ATOM 172 N TRP A 11 0.899 3.707 -1.698 1.00 0.00 N +ATOM 173 CA TRP A 11 0.458 5.111 -1.742 1.00 0.00 C +ATOM 174 C TRP A 11 -0.463 5.368 -2.950 1.00 0.00 C +ATOM 175 O TRP A 11 -0.465 4.599 -3.914 1.00 0.00 O +ATOM 176 CB TRP A 11 1.697 6.025 -1.803 1.00 0.00 C +ATOM 177 CG TRP A 11 1.456 7.511 -1.778 1.00 0.00 C +ATOM 178 CD1 TRP A 11 1.446 8.336 -2.851 1.00 0.00 C +ATOM 179 CD2 TRP A 11 1.205 8.385 -0.634 1.00 0.00 C +ATOM 180 NE1 TRP A 11 1.187 9.633 -2.444 1.00 0.00 N +ATOM 181 CE2 TRP A 11 1.050 9.726 -1.079 1.00 0.00 C +ATOM 182 CE3 TRP A 11 1.117 8.174 0.757 1.00 0.00 C +ATOM 183 CZ2 TRP A 11 0.815 10.793 -0.197 1.00 0.00 C +ATOM 184 CZ3 TRP A 11 0.898 9.232 1.659 1.00 0.00 C +ATOM 185 CH2 TRP A 11 0.754 10.540 1.183 1.00 0.00 C +ATOM 186 H TRP A 11 1.851 3.508 -1.950 1.00 0.00 H +ATOM 187 HA TRP A 11 -0.091 5.344 -0.830 1.00 0.00 H +ATOM 188 HB2 TRP A 11 2.340 5.790 -0.952 1.00 0.00 H +ATOM 189 HB3 TRP A 11 2.261 5.794 -2.709 1.00 0.00 H +ATOM 190 HD1 TRP A 11 1.605 8.017 -3.872 1.00 0.00 H +ATOM 191 HE1 TRP A 11 1.064 10.404 -3.081 1.00 0.00 H +ATOM 192 HE3 TRP A 11 1.248 7.169 1.125 1.00 0.00 H +ATOM 193 HZ2 TRP A 11 0.695 11.794 -0.580 1.00 0.00 H +ATOM 194 HZ3 TRP A 11 0.858 9.004 2.711 1.00 0.00 H +ATOM 195 HH2 TRP A 11 0.601 11.335 1.885 1.00 0.00 H +ATOM 196 N LYS A 12 -1.225 6.468 -2.910 1.00 0.00 N +ATOM 197 CA LYS A 12 -2.089 6.954 -3.990 1.00 0.00 C +ATOM 198 C LYS A 12 -1.808 8.421 -4.321 1.00 0.00 C +ATOM 199 O LYS A 12 -1.682 9.268 -3.445 1.00 0.00 O +ATOM 200 CB LYS A 12 -3.563 6.752 -3.604 1.00 0.00 C +ATOM 201 CG LYS A 12 -3.987 5.288 -3.815 1.00 0.00 C +ATOM 202 CD LYS A 12 -5.507 5.057 -3.788 1.00 0.00 C +ATOM 203 CE LYS A 12 -6.347 5.957 -4.710 1.00 0.00 C +ATOM 204 NZ LYS A 12 -5.805 6.062 -6.078 1.00 0.00 N +ATOM 205 H LYS A 12 -1.233 6.992 -2.040 1.00 0.00 H +ATOM 206 HA LYS A 12 -1.883 6.373 -4.890 1.00 0.00 H +ATOM 207 HB2 LYS A 12 -3.735 7.041 -2.564 1.00 0.00 H +ATOM 208 HB3 LYS A 12 -4.170 7.400 -4.236 1.00 0.00 H +ATOM 209 HG2 LYS A 12 -3.610 4.944 -4.779 1.00 0.00 H +ATOM 210 HG3 LYS A 12 -3.527 4.669 -3.041 1.00 0.00 H +ATOM 211 HD2 LYS A 12 -5.688 4.021 -4.079 1.00 0.00 H +ATOM 212 HD3 LYS A 12 -5.866 5.184 -2.767 1.00 0.00 H +ATOM 213 HE2 LYS A 12 -7.353 5.543 -4.764 1.00 0.00 H +ATOM 214 HE3 LYS A 12 -6.408 6.956 -4.280 1.00 0.00 H +ATOM 215 HZ1 LYS A 12 -6.537 6.357 -6.708 1.00 0.00 H +ATOM 216 HZ2 LYS A 12 -5.062 6.746 -6.090 1.00 0.00 H +ATOM 217 HZ3 LYS A 12 -5.443 5.167 -6.372 1.00 0.00 H +TER 218 LYS A 12 +HETATM 219 N NH2 A 13 -1.731 8.734 -5.608 1.00 0.00 N +HETATM 220 HN1 NH2 A 13 -1.868 8.029 -6.315 1.00 0.00 H +HETATM 221 HN2 NH2 A 13 -1.527 9.689 -5.846 1.00 0.00 H +ENDMDL +MODEL 4 +ATOM 1 N SER A 1 -3.016 9.390 0.325 1.00 0.00 N +ATOM 2 CA SER A 1 -3.164 8.377 1.384 1.00 0.00 C +ATOM 3 C SER A 1 -2.601 7.019 0.970 1.00 0.00 C +ATOM 4 O SER A 1 -2.412 6.741 -0.217 1.00 0.00 O +ATOM 5 CB SER A 1 -4.635 8.203 1.757 1.00 0.00 C +ATOM 6 OG SER A 1 -4.709 7.542 3.002 1.00 0.00 O +ATOM 7 HA SER A 1 -2.623 8.728 2.263 1.00 0.00 H +ATOM 8 HB2 SER A 1 -5.116 9.177 1.841 1.00 0.00 H +ATOM 9 HB3 SER A 1 -5.138 7.614 0.988 1.00 0.00 H +ATOM 10 HG SER A 1 -5.609 7.231 3.142 1.00 0.00 H +ATOM 11 H1 SER A 1 -3.457 9.053 -0.519 1.00 0.00 H +ATOM 12 H2 SER A 1 -2.035 9.561 0.152 1.00 0.00 H +ATOM 13 H3 SER A 1 -3.462 10.248 0.617 1.00 0.00 H +ATOM 14 N TRP A 2 -2.343 6.163 1.960 1.00 0.00 N +ATOM 15 CA TRP A 2 -2.040 4.755 1.755 1.00 0.00 C +ATOM 16 C TRP A 2 -3.307 3.897 1.647 1.00 0.00 C +ATOM 17 O TRP A 2 -4.286 4.112 2.357 1.00 0.00 O +ATOM 18 CB TRP A 2 -1.186 4.249 2.919 1.00 0.00 C +ATOM 19 CG TRP A 2 0.210 4.772 2.940 1.00 0.00 C +ATOM 20 CD1 TRP A 2 0.675 5.768 3.727 1.00 0.00 C +ATOM 21 CD2 TRP A 2 1.356 4.274 2.189 1.00 0.00 C +ATOM 22 NE1 TRP A 2 2.028 5.938 3.496 1.00 0.00 N +ATOM 23 CE2 TRP A 2 2.512 4.991 2.614 1.00 0.00 C +ATOM 24 CE3 TRP A 2 1.538 3.252 1.231 1.00 0.00 C +ATOM 25 CZ2 TRP A 2 3.796 4.681 2.146 1.00 0.00 C +ATOM 26 CZ3 TRP A 2 2.825 2.916 0.767 1.00 0.00 C +ATOM 27 CH2 TRP A 2 3.952 3.623 1.229 1.00 0.00 C +ATOM 28 H TRP A 2 -2.584 6.466 2.894 1.00 0.00 H +ATOM 29 HA TRP A 2 -1.507 4.664 0.813 1.00 0.00 H +ATOM 30 HB2 TRP A 2 -1.680 4.488 3.863 1.00 0.00 H +ATOM 31 HB3 TRP A 2 -1.117 3.162 2.864 1.00 0.00 H +ATOM 32 HD1 TRP A 2 0.074 6.336 4.427 1.00 0.00 H +ATOM 33 HE1 TRP A 2 2.590 6.649 3.944 1.00 0.00 H +ATOM 34 HE3 TRP A 2 0.676 2.699 0.893 1.00 0.00 H +ATOM 35 HZ2 TRP A 2 4.652 5.242 2.489 1.00 0.00 H +ATOM 36 HZ3 TRP A 2 2.961 2.091 0.081 1.00 0.00 H +ATOM 37 HH2 TRP A 2 4.937 3.351 0.880 1.00 0.00 H +ATOM 38 N THR A 3 -3.235 2.864 0.805 1.00 0.00 N +ATOM 39 CA THR A 3 -4.282 1.868 0.557 1.00 0.00 C +ATOM 40 C THR A 3 -3.703 0.458 0.649 1.00 0.00 C +ATOM 41 O THR A 3 -2.586 0.210 0.191 1.00 0.00 O +ATOM 42 CB THR A 3 -4.935 2.076 -0.821 1.00 0.00 C +ATOM 43 OG1 THR A 3 -3.982 2.152 -1.861 1.00 0.00 O +ATOM 44 CG2 THR A 3 -5.783 3.348 -0.863 1.00 0.00 C +ATOM 45 H THR A 3 -2.368 2.747 0.289 1.00 0.00 H +ATOM 46 HA THR A 3 -5.057 1.964 1.317 1.00 0.00 H +ATOM 47 HB THR A 3 -5.591 1.228 -1.022 1.00 0.00 H +ATOM 48 HG1 THR A 3 -3.224 2.678 -1.569 1.00 0.00 H +ATOM 49 HG21 THR A 3 -6.134 3.513 -1.879 1.00 0.00 H +ATOM 50 HG22 THR A 3 -6.648 3.232 -0.209 1.00 0.00 H +ATOM 51 HG23 THR A 3 -5.200 4.210 -0.543 1.00 0.00 H +ATOM 52 N TRP A 4 -4.452 -0.458 1.270 1.00 0.00 N +ATOM 53 CA TRP A 4 -4.107 -1.877 1.365 1.00 0.00 C +ATOM 54 C TRP A 4 -4.524 -2.637 0.103 1.00 0.00 C +ATOM 55 O TRP A 4 -5.709 -2.708 -0.236 1.00 0.00 O +ATOM 56 CB TRP A 4 -4.777 -2.494 2.600 1.00 0.00 C +ATOM 57 CG TRP A 4 -4.656 -3.989 2.695 1.00 0.00 C +ATOM 58 CD1 TRP A 4 -5.525 -4.888 2.179 1.00 0.00 C +ATOM 59 CD2 TRP A 4 -3.571 -4.775 3.272 1.00 0.00 C +ATOM 60 NE1 TRP A 4 -5.083 -6.169 2.445 1.00 0.00 N +ATOM 61 CE2 TRP A 4 -3.875 -6.158 3.110 1.00 0.00 C +ATOM 62 CE3 TRP A 4 -2.352 -4.453 3.902 1.00 0.00 C +ATOM 63 CZ2 TRP A 4 -3.016 -7.174 3.557 1.00 0.00 C +ATOM 64 CZ3 TRP A 4 -1.470 -5.461 4.334 1.00 0.00 C +ATOM 65 CH2 TRP A 4 -1.797 -6.818 4.160 1.00 0.00 C +ATOM 66 H TRP A 4 -5.369 -0.195 1.597 1.00 0.00 H +ATOM 67 HA TRP A 4 -3.026 -1.975 1.481 1.00 0.00 H +ATOM 68 HB2 TRP A 4 -4.323 -2.056 3.490 1.00 0.00 H +ATOM 69 HB3 TRP A 4 -5.836 -2.230 2.609 1.00 0.00 H +ATOM 70 HD1 TRP A 4 -6.430 -4.627 1.641 1.00 0.00 H +ATOM 71 HE1 TRP A 4 -5.589 -7.001 2.176 1.00 0.00 H +ATOM 72 HE3 TRP A 4 -2.092 -3.412 4.032 1.00 0.00 H +ATOM 73 HZ2 TRP A 4 -3.278 -8.212 3.422 1.00 0.00 H +ATOM 74 HZ3 TRP A 4 -0.530 -5.189 4.792 1.00 0.00 H +ATOM 75 HH2 TRP A 4 -1.103 -7.583 4.479 1.00 0.00 H +ATOM 76 N GLU A 5 -3.566 -3.319 -0.526 1.00 0.00 N +ATOM 77 CA GLU A 5 -3.826 -4.106 -1.718 1.00 0.00 C +ATOM 78 C GLU A 5 -2.926 -5.348 -1.745 1.00 0.00 C +ATOM 79 O GLU A 5 -1.771 -5.284 -1.338 1.00 0.00 O +ATOM 80 CB GLU A 5 -3.709 -3.237 -2.989 1.00 0.00 C +ATOM 81 CG GLU A 5 -2.504 -2.289 -3.110 1.00 0.00 C +ATOM 82 CD GLU A 5 -1.147 -2.977 -3.245 1.00 0.00 C +ATOM 83 OE1 GLU A 5 -0.942 -3.639 -4.286 1.00 0.00 O +ATOM 84 OE2 GLU A 5 -0.326 -2.802 -2.317 1.00 0.00 O +ATOM 85 H GLU A 5 -2.618 -3.336 -0.144 1.00 0.00 H +ATOM 86 HA GLU A 5 -4.870 -4.398 -1.658 1.00 0.00 H +ATOM 87 HB2 GLU A 5 -3.756 -3.879 -3.870 1.00 0.00 H +ATOM 88 HB3 GLU A 5 -4.596 -2.602 -3.017 1.00 0.00 H +ATOM 89 HG2 GLU A 5 -2.658 -1.674 -3.998 1.00 0.00 H +ATOM 90 HG3 GLU A 5 -2.487 -1.619 -2.249 1.00 0.00 H +ATOM 91 N ASN A 6 -3.436 -6.483 -2.235 1.00 0.00 N +ATOM 92 CA ASN A 6 -2.662 -7.695 -2.562 1.00 0.00 C +ATOM 93 C ASN A 6 -1.688 -8.241 -1.472 1.00 0.00 C +ATOM 94 O ASN A 6 -0.786 -9.010 -1.800 1.00 0.00 O +ATOM 95 CB ASN A 6 -1.973 -7.414 -3.919 1.00 0.00 C +ATOM 96 CG ASN A 6 -1.798 -8.636 -4.811 1.00 0.00 C +ATOM 97 OD1 ASN A 6 -2.436 -8.765 -5.842 1.00 0.00 O +ATOM 98 ND2 ASN A 6 -0.933 -9.558 -4.449 1.00 0.00 N +ATOM 99 H ASN A 6 -4.389 -6.451 -2.563 1.00 0.00 H +ATOM 100 HA ASN A 6 -3.390 -8.491 -2.728 1.00 0.00 H +ATOM 101 HB2 ASN A 6 -2.569 -6.700 -4.491 1.00 0.00 H +ATOM 102 HB3 ASN A 6 -1.000 -6.954 -3.744 1.00 0.00 H +ATOM 103 HD21 ASN A 6 -0.526 -9.493 -3.514 1.00 0.00 H +ATOM 104 HD22 ASN A 6 -0.814 -10.340 -5.065 1.00 0.00 H +ATOM 105 N GLY A 7 -1.840 -7.868 -0.190 1.00 0.00 N +ATOM 106 CA GLY A 7 -0.942 -8.260 0.913 1.00 0.00 C +ATOM 107 C GLY A 7 0.089 -7.192 1.304 1.00 0.00 C +ATOM 108 O GLY A 7 1.004 -7.479 2.076 1.00 0.00 O +ATOM 109 H GLY A 7 -2.550 -7.176 -0.004 1.00 0.00 H +ATOM 110 HA2 GLY A 7 -1.542 -8.481 1.791 1.00 0.00 H +ATOM 111 HA3 GLY A 7 -0.400 -9.173 0.659 1.00 0.00 H +ATOM 112 N LYS A 8 -0.034 -5.983 0.746 1.00 0.00 N +ATOM 113 CA LYS A 8 0.925 -4.881 0.810 1.00 0.00 C +ATOM 114 C LYS A 8 0.167 -3.541 0.925 1.00 0.00 C +ATOM 115 O LYS A 8 -1.065 -3.496 0.898 1.00 0.00 O +ATOM 116 CB LYS A 8 1.794 -5.026 -0.462 1.00 0.00 C +ATOM 117 CG LYS A 8 3.058 -4.165 -0.615 1.00 0.00 C +ATOM 118 CD LYS A 8 4.166 -4.503 0.393 1.00 0.00 C +ATOM 119 CE LYS A 8 4.074 -3.687 1.684 1.00 0.00 C +ATOM 120 NZ LYS A 8 5.069 -4.146 2.668 1.00 0.00 N +ATOM 121 H LYS A 8 -0.815 -5.829 0.109 1.00 0.00 H +ATOM 122 HA LYS A 8 1.540 -5.011 1.701 1.00 0.00 H +ATOM 123 HB2 LYS A 8 2.123 -6.066 -0.525 1.00 0.00 H +ATOM 124 HB3 LYS A 8 1.161 -4.853 -1.334 1.00 0.00 H +ATOM 125 HG2 LYS A 8 3.456 -4.371 -1.610 1.00 0.00 H +ATOM 126 HG3 LYS A 8 2.821 -3.105 -0.585 1.00 0.00 H +ATOM 127 HD2 LYS A 8 4.147 -5.570 0.619 1.00 0.00 H +ATOM 128 HD3 LYS A 8 5.127 -4.275 -0.072 1.00 0.00 H +ATOM 129 HE2 LYS A 8 4.269 -2.642 1.444 1.00 0.00 H +ATOM 130 HE3 LYS A 8 3.079 -3.774 2.116 1.00 0.00 H +ATOM 131 HZ1 LYS A 8 5.932 -4.369 2.193 1.00 0.00 H +ATOM 132 HZ2 LYS A 8 5.239 -3.415 3.345 1.00 0.00 H +ATOM 133 HZ3 LYS A 8 4.726 -4.971 3.140 1.00 0.00 H +ATOM 134 N TRP A 9 0.901 -2.432 1.045 1.00 0.00 N +ATOM 135 CA TRP A 9 0.367 -1.066 1.001 1.00 0.00 C +ATOM 136 C TRP A 9 0.841 -0.349 -0.271 1.00 0.00 C +ATOM 137 O TRP A 9 2.001 -0.493 -0.654 1.00 0.00 O +ATOM 138 CB TRP A 9 0.823 -0.263 2.232 1.00 0.00 C +ATOM 139 CG TRP A 9 0.236 -0.647 3.554 1.00 0.00 C +ATOM 140 CD1 TRP A 9 0.852 -1.390 4.501 1.00 0.00 C +ATOM 141 CD2 TRP A 9 -1.038 -0.228 4.135 1.00 0.00 C +ATOM 142 NE1 TRP A 9 0.057 -1.450 5.629 1.00 0.00 N +ATOM 143 CE2 TRP A 9 -1.098 -0.711 5.476 1.00 0.00 C +ATOM 144 CE3 TRP A 9 -2.129 0.551 3.688 1.00 0.00 C +ATOM 145 CZ2 TRP A 9 -2.156 -0.398 6.342 1.00 0.00 C +ATOM 146 CZ3 TRP A 9 -3.204 0.859 4.540 1.00 0.00 C +ATOM 147 CH2 TRP A 9 -3.218 0.393 5.866 1.00 0.00 C +ATOM 148 H TRP A 9 1.902 -2.534 1.012 1.00 0.00 H +ATOM 149 HA TRP A 9 -0.721 -1.091 1.006 1.00 0.00 H +ATOM 150 HB2 TRP A 9 1.914 -0.271 2.318 1.00 0.00 H +ATOM 151 HB3 TRP A 9 0.539 0.775 2.072 1.00 0.00 H +ATOM 152 HD1 TRP A 9 1.837 -1.827 4.397 1.00 0.00 H +ATOM 153 HE1 TRP A 9 0.320 -1.933 6.476 1.00 0.00 H +ATOM 154 HE3 TRP A 9 -2.143 0.942 2.685 1.00 0.00 H +ATOM 155 HZ2 TRP A 9 -2.148 -0.748 7.364 1.00 0.00 H +ATOM 156 HZ3 TRP A 9 -4.015 1.477 4.177 1.00 0.00 H +ATOM 157 HH2 TRP A 9 -4.039 0.651 6.519 1.00 0.00 H +ATOM 158 N THR A 10 -0.004 0.517 -0.849 1.00 0.00 N +ATOM 159 CA THR A 10 0.383 1.446 -1.927 1.00 0.00 C +ATOM 160 C THR A 10 -0.228 2.837 -1.733 1.00 0.00 C +ATOM 161 O THR A 10 -1.296 2.985 -1.132 1.00 0.00 O +ATOM 162 CB THR A 10 0.070 0.865 -3.315 1.00 0.00 C +ATOM 163 OG1 THR A 10 0.818 1.584 -4.266 1.00 0.00 O +ATOM 164 CG2 THR A 10 -1.393 0.951 -3.749 1.00 0.00 C +ATOM 165 H THR A 10 -0.960 0.556 -0.497 1.00 0.00 H +ATOM 166 HA THR A 10 1.465 1.573 -1.883 1.00 0.00 H +ATOM 167 HB THR A 10 0.383 -0.179 -3.342 1.00 0.00 H +ATOM 168 HG1 THR A 10 0.379 1.490 -5.114 1.00 0.00 H +ATOM 169 HG21 THR A 10 -1.524 0.426 -4.697 1.00 0.00 H +ATOM 170 HG22 THR A 10 -2.026 0.486 -2.996 1.00 0.00 H +ATOM 171 HG23 THR A 10 -1.703 1.989 -3.874 1.00 0.00 H +ATOM 172 N TRP A 11 0.470 3.877 -2.199 1.00 0.00 N +ATOM 173 CA TRP A 11 0.025 5.270 -2.095 1.00 0.00 C +ATOM 174 C TRP A 11 -0.933 5.610 -3.242 1.00 0.00 C +ATOM 175 O TRP A 11 -0.693 5.229 -4.388 1.00 0.00 O +ATOM 176 CB TRP A 11 1.230 6.217 -2.102 1.00 0.00 C +ATOM 177 CG TRP A 11 0.915 7.666 -1.852 1.00 0.00 C +ATOM 178 CD1 TRP A 11 0.859 8.652 -2.779 1.00 0.00 C +ATOM 179 CD2 TRP A 11 0.669 8.316 -0.571 1.00 0.00 C +ATOM 180 NE1 TRP A 11 0.612 9.862 -2.154 1.00 0.00 N +ATOM 181 CE2 TRP A 11 0.505 9.716 -0.785 1.00 0.00 C +ATOM 182 CE3 TRP A 11 0.610 7.857 0.759 1.00 0.00 C +ATOM 183 CZ2 TRP A 11 0.315 10.620 0.274 1.00 0.00 C +ATOM 184 CZ3 TRP A 11 0.426 8.752 1.827 1.00 0.00 C +ATOM 185 CH2 TRP A 11 0.287 10.131 1.591 1.00 0.00 C +ATOM 186 H TRP A 11 1.277 3.669 -2.771 1.00 0.00 H +ATOM 187 HA TRP A 11 -0.481 5.409 -1.140 1.00 0.00 H +ATOM 188 HB2 TRP A 11 1.909 5.894 -1.312 1.00 0.00 H +ATOM 189 HB3 TRP A 11 1.766 6.129 -3.046 1.00 0.00 H +ATOM 190 HD1 TRP A 11 1.023 8.514 -3.841 1.00 0.00 H +ATOM 191 HE1 TRP A 11 0.592 10.748 -2.642 1.00 0.00 H +ATOM 192 HE3 TRP A 11 0.735 6.802 0.949 1.00 0.00 H +ATOM 193 HZ2 TRP A 11 0.219 11.680 0.084 1.00 0.00 H +ATOM 194 HZ3 TRP A 11 0.412 8.375 2.838 1.00 0.00 H +ATOM 195 HH2 TRP A 11 0.174 10.808 2.426 1.00 0.00 H +ATOM 196 N LYS A 12 -1.996 6.360 -2.934 1.00 0.00 N +ATOM 197 CA LYS A 12 -3.086 6.664 -3.871 1.00 0.00 C +ATOM 198 C LYS A 12 -3.615 8.106 -3.781 1.00 0.00 C +ATOM 199 O LYS A 12 -4.429 8.525 -4.593 1.00 0.00 O +ATOM 200 CB LYS A 12 -4.184 5.607 -3.655 1.00 0.00 C +ATOM 201 CG LYS A 12 -4.965 5.314 -4.942 1.00 0.00 C +ATOM 202 CD LYS A 12 -5.986 4.198 -4.699 1.00 0.00 C +ATOM 203 CE LYS A 12 -6.691 3.831 -6.003 1.00 0.00 C +ATOM 204 NZ LYS A 12 -7.815 2.913 -5.757 1.00 0.00 N +ATOM 205 H LYS A 12 -2.131 6.568 -1.946 1.00 0.00 H +ATOM 206 HA LYS A 12 -2.703 6.552 -4.888 1.00 0.00 H +ATOM 207 HB2 LYS A 12 -3.720 4.670 -3.343 1.00 0.00 H +ATOM 208 HB3 LYS A 12 -4.861 5.930 -2.862 1.00 0.00 H +ATOM 209 HG2 LYS A 12 -5.482 6.213 -5.280 1.00 0.00 H +ATOM 210 HG3 LYS A 12 -4.264 4.994 -5.714 1.00 0.00 H +ATOM 211 HD2 LYS A 12 -5.482 3.314 -4.307 1.00 0.00 H +ATOM 212 HD3 LYS A 12 -6.727 4.545 -3.978 1.00 0.00 H +ATOM 213 HE2 LYS A 12 -7.073 4.742 -6.464 1.00 0.00 H +ATOM 214 HE3 LYS A 12 -5.978 3.360 -6.682 1.00 0.00 H +ATOM 215 HZ1 LYS A 12 -8.399 2.865 -6.579 1.00 0.00 H +ATOM 216 HZ2 LYS A 12 -7.461 1.992 -5.536 1.00 0.00 H +ATOM 217 HZ3 LYS A 12 -8.359 3.258 -4.978 1.00 0.00 H +TER 218 LYS A 12 +HETATM 219 N NH2 A 13 -3.148 8.903 -2.827 1.00 0.00 N +HETATM 220 HN1 NH2 A 13 -2.467 8.562 -2.169 1.00 0.00 H +HETATM 221 HN2 NH2 A 13 -3.482 9.852 -2.816 1.00 0.00 H +ENDMDL +MODEL 5 +ATOM 1 N SER A 1 -2.518 9.773 0.749 1.00 0.00 N +ATOM 2 CA SER A 1 -3.004 8.718 1.661 1.00 0.00 C +ATOM 3 C SER A 1 -2.581 7.323 1.183 1.00 0.00 C +ATOM 4 O SER A 1 -2.212 7.126 0.021 1.00 0.00 O +ATOM 5 CB SER A 1 -4.528 8.790 1.812 1.00 0.00 C +ATOM 6 OG SER A 1 -4.959 10.099 2.140 1.00 0.00 O +ATOM 7 HA SER A 1 -2.548 8.889 2.636 1.00 0.00 H +ATOM 8 HB2 SER A 1 -4.988 8.498 0.868 1.00 0.00 H +ATOM 9 HB3 SER A 1 -4.855 8.098 2.590 1.00 0.00 H +ATOM 10 HG SER A 1 -4.944 10.226 3.092 1.00 0.00 H +ATOM 11 H1 SER A 1 -1.679 9.458 0.283 1.00 0.00 H +ATOM 12 H2 SER A 1 -2.314 10.608 1.279 1.00 0.00 H +ATOM 13 H3 SER A 1 -3.232 9.980 0.065 1.00 0.00 H +ATOM 14 N TRP A 2 -2.611 6.346 2.100 1.00 0.00 N +ATOM 15 CA TRP A 2 -2.266 4.947 1.831 1.00 0.00 C +ATOM 16 C TRP A 2 -3.505 4.048 1.695 1.00 0.00 C +ATOM 17 O TRP A 2 -4.499 4.245 2.390 1.00 0.00 O +ATOM 18 CB TRP A 2 -1.356 4.423 2.957 1.00 0.00 C +ATOM 19 CG TRP A 2 0.030 4.998 3.021 1.00 0.00 C +ATOM 20 CD1 TRP A 2 0.448 5.993 3.839 1.00 0.00 C +ATOM 21 CD2 TRP A 2 1.223 4.544 2.309 1.00 0.00 C +ATOM 22 NE1 TRP A 2 1.804 6.203 3.658 1.00 0.00 N +ATOM 23 CE2 TRP A 2 2.337 5.320 2.743 1.00 0.00 C +ATOM 24 CE3 TRP A 2 1.481 3.516 1.377 1.00 0.00 C +ATOM 25 CZ2 TRP A 2 3.637 5.110 2.259 1.00 0.00 C +ATOM 26 CZ3 TRP A 2 2.784 3.281 0.893 1.00 0.00 C +ATOM 27 CH2 TRP A 2 3.858 4.081 1.325 1.00 0.00 C +ATOM 28 H TRP A 2 -2.955 6.559 3.024 1.00 0.00 H +ATOM 29 HA TRP A 2 -1.734 4.907 0.884 1.00 0.00 H +ATOM 30 HB2 TRP A 2 -1.849 4.585 3.919 1.00 0.00 H +ATOM 31 HB3 TRP A 2 -1.252 3.341 2.855 1.00 0.00 H +ATOM 32 HD1 TRP A 2 -0.179 6.546 4.525 1.00 0.00 H +ATOM 33 HE1 TRP A 2 2.339 6.906 4.150 1.00 0.00 H +ATOM 34 HE3 TRP A 2 0.660 2.891 1.068 1.00 0.00 H +ATOM 35 HZ2 TRP A 2 4.454 5.727 2.604 1.00 0.00 H +ATOM 36 HZ3 TRP A 2 2.967 2.472 0.200 1.00 0.00 H +ATOM 37 HH2 TRP A 2 4.855 3.893 0.949 1.00 0.00 H +ATOM 38 N THR A 3 -3.407 3.013 0.849 1.00 0.00 N +ATOM 39 CA THR A 3 -4.420 1.958 0.641 1.00 0.00 C +ATOM 40 C THR A 3 -3.769 0.567 0.616 1.00 0.00 C +ATOM 41 O THR A 3 -2.595 0.435 0.264 1.00 0.00 O +ATOM 42 CB THR A 3 -5.207 2.186 -0.662 1.00 0.00 C +ATOM 43 OG1 THR A 3 -4.333 2.232 -1.767 1.00 0.00 O +ATOM 44 CG2 THR A 3 -6.032 3.473 -0.661 1.00 0.00 C +ATOM 45 H THR A 3 -2.531 2.908 0.341 1.00 0.00 H +ATOM 46 HA THR A 3 -5.131 1.975 1.468 1.00 0.00 H +ATOM 47 HB THR A 3 -5.900 1.354 -0.798 1.00 0.00 H +ATOM 48 HG1 THR A 3 -3.541 2.716 -1.510 1.00 0.00 H +ATOM 49 HG21 THR A 3 -5.388 4.346 -0.551 1.00 0.00 H +ATOM 50 HG22 THR A 3 -6.569 3.544 -1.606 1.00 0.00 H +ATOM 51 HG23 THR A 3 -6.755 3.449 0.154 1.00 0.00 H +ATOM 52 N TRP A 4 -4.506 -0.468 1.043 1.00 0.00 N +ATOM 53 CA TRP A 4 -4.021 -1.853 1.134 1.00 0.00 C +ATOM 54 C TRP A 4 -4.217 -2.630 -0.173 1.00 0.00 C +ATOM 55 O TRP A 4 -5.304 -2.634 -0.758 1.00 0.00 O +ATOM 56 CB TRP A 4 -4.747 -2.580 2.272 1.00 0.00 C +ATOM 57 CG TRP A 4 -4.481 -4.057 2.387 1.00 0.00 C +ATOM 58 CD1 TRP A 4 -5.253 -5.020 1.834 1.00 0.00 C +ATOM 59 CD2 TRP A 4 -3.404 -4.765 3.078 1.00 0.00 C +ATOM 60 NE1 TRP A 4 -4.778 -6.265 2.196 1.00 0.00 N +ATOM 61 CE2 TRP A 4 -3.655 -6.166 2.991 1.00 0.00 C +ATOM 62 CE3 TRP A 4 -2.241 -4.372 3.772 1.00 0.00 C +ATOM 63 CZ2 TRP A 4 -2.839 -7.118 3.619 1.00 0.00 C +ATOM 64 CZ3 TRP A 4 -1.395 -5.316 4.384 1.00 0.00 C +ATOM 65 CH2 TRP A 4 -1.702 -6.686 4.326 1.00 0.00 C +ATOM 66 H TRP A 4 -5.476 -0.313 1.274 1.00 0.00 H +ATOM 67 HA TRP A 4 -2.956 -1.845 1.369 1.00 0.00 H +ATOM 68 HB2 TRP A 4 -4.480 -2.102 3.215 1.00 0.00 H +ATOM 69 HB3 TRP A 4 -5.821 -2.450 2.132 1.00 0.00 H +ATOM 70 HD1 TRP A 4 -6.132 -4.825 1.231 1.00 0.00 H +ATOM 71 HE1 TRP A 4 -5.236 -7.127 1.937 1.00 0.00 H +ATOM 72 HE3 TRP A 4 -1.992 -3.326 3.804 1.00 0.00 H +ATOM 73 HZ2 TRP A 4 -3.075 -8.170 3.554 1.00 0.00 H +ATOM 74 HZ3 TRP A 4 -0.502 -4.987 4.897 1.00 0.00 H +ATOM 75 HH2 TRP A 4 -1.049 -7.400 4.808 1.00 0.00 H +ATOM 76 N GLU A 5 -3.192 -3.381 -0.577 1.00 0.00 N +ATOM 77 CA GLU A 5 -3.203 -4.152 -1.804 1.00 0.00 C +ATOM 78 C GLU A 5 -2.370 -5.436 -1.640 1.00 0.00 C +ATOM 79 O GLU A 5 -1.167 -5.365 -1.389 1.00 0.00 O +ATOM 80 CB GLU A 5 -2.665 -3.272 -2.945 1.00 0.00 C +ATOM 81 CG GLU A 5 -2.880 -3.887 -4.336 1.00 0.00 C +ATOM 82 CD GLU A 5 -1.762 -3.475 -5.293 1.00 0.00 C +ATOM 83 OE1 GLU A 5 -1.729 -2.277 -5.653 1.00 0.00 O +ATOM 84 OE2 GLU A 5 -0.952 -4.364 -5.637 1.00 0.00 O +ATOM 85 H GLU A 5 -2.340 -3.408 -0.014 1.00 0.00 H +ATOM 86 HA GLU A 5 -4.242 -4.381 -2.028 1.00 0.00 H +ATOM 87 HB2 GLU A 5 -3.178 -2.308 -2.931 1.00 0.00 H +ATOM 88 HB3 GLU A 5 -1.603 -3.086 -2.782 1.00 0.00 H +ATOM 89 HG2 GLU A 5 -2.916 -4.975 -4.274 1.00 0.00 H +ATOM 90 HG3 GLU A 5 -3.838 -3.545 -4.732 1.00 0.00 H +ATOM 91 N ASN A 6 -3.000 -6.611 -1.776 1.00 0.00 N +ATOM 92 CA ASN A 6 -2.334 -7.914 -1.924 1.00 0.00 C +ATOM 93 C ASN A 6 -1.186 -8.222 -0.934 1.00 0.00 C +ATOM 94 O ASN A 6 -0.152 -8.766 -1.318 1.00 0.00 O +ATOM 95 CB ASN A 6 -1.938 -8.046 -3.413 1.00 0.00 C +ATOM 96 CG ASN A 6 -3.145 -8.279 -4.311 1.00 0.00 C +ATOM 97 OD1 ASN A 6 -4.196 -8.736 -3.887 1.00 0.00 O +ATOM 98 ND2 ASN A 6 -3.040 -7.977 -5.587 1.00 0.00 N +ATOM 99 H ASN A 6 -3.997 -6.601 -1.930 1.00 0.00 H +ATOM 100 HA ASN A 6 -3.074 -8.688 -1.717 1.00 0.00 H +ATOM 101 HB2 ASN A 6 -1.420 -7.140 -3.730 1.00 0.00 H +ATOM 102 HB3 ASN A 6 -1.261 -8.887 -3.549 1.00 0.00 H +ATOM 103 HD21 ASN A 6 -2.203 -7.585 -5.983 1.00 0.00 H +ATOM 104 HD22 ASN A 6 -3.864 -8.183 -6.124 1.00 0.00 H +ATOM 105 N GLY A 7 -1.382 -7.919 0.356 1.00 0.00 N +ATOM 106 CA GLY A 7 -0.405 -8.205 1.415 1.00 0.00 C +ATOM 107 C GLY A 7 0.500 -7.019 1.759 1.00 0.00 C +ATOM 108 O GLY A 7 1.312 -7.131 2.675 1.00 0.00 O +ATOM 109 H GLY A 7 -2.234 -7.442 0.609 1.00 0.00 H +ATOM 110 HA2 GLY A 7 -0.928 -8.509 2.318 1.00 0.00 H +ATOM 111 HA3 GLY A 7 0.233 -9.038 1.117 1.00 0.00 H +ATOM 112 N LYS A 8 0.365 -5.899 1.037 1.00 0.00 N +ATOM 113 CA LYS A 8 1.173 -4.684 1.167 1.00 0.00 C +ATOM 114 C LYS A 8 0.290 -3.426 1.186 1.00 0.00 C +ATOM 115 O LYS A 8 -0.931 -3.490 1.059 1.00 0.00 O +ATOM 116 CB LYS A 8 2.226 -4.694 0.034 1.00 0.00 C +ATOM 117 CG LYS A 8 3.443 -5.525 0.471 1.00 0.00 C +ATOM 118 CD LYS A 8 4.452 -5.755 -0.658 1.00 0.00 C +ATOM 119 CE LYS A 8 5.713 -6.393 -0.064 1.00 0.00 C +ATOM 120 NZ LYS A 8 6.688 -6.765 -1.102 1.00 0.00 N +ATOM 121 H LYS A 8 -0.321 -5.894 0.284 1.00 0.00 H +ATOM 122 HA LYS A 8 1.689 -4.704 2.128 1.00 0.00 H +ATOM 123 HB2 LYS A 8 1.791 -5.116 -0.876 1.00 0.00 H +ATOM 124 HB3 LYS A 8 2.565 -3.682 -0.192 1.00 0.00 H +ATOM 125 HG2 LYS A 8 3.935 -5.002 1.293 1.00 0.00 H +ATOM 126 HG3 LYS A 8 3.116 -6.500 0.830 1.00 0.00 H +ATOM 127 HD2 LYS A 8 4.015 -6.428 -1.398 1.00 0.00 H +ATOM 128 HD3 LYS A 8 4.709 -4.807 -1.132 1.00 0.00 H +ATOM 129 HE2 LYS A 8 6.179 -5.685 0.623 1.00 0.00 H +ATOM 130 HE3 LYS A 8 5.429 -7.287 0.492 1.00 0.00 H +ATOM 131 HZ1 LYS A 8 6.243 -7.364 -1.784 1.00 0.00 H +ATOM 132 HZ2 LYS A 8 7.034 -5.933 -1.556 1.00 0.00 H +ATOM 133 HZ3 LYS A 8 7.458 -7.258 -0.672 1.00 0.00 H +ATOM 134 N TRP A 9 0.922 -2.263 1.352 1.00 0.00 N +ATOM 135 CA TRP A 9 0.292 -0.942 1.290 1.00 0.00 C +ATOM 136 C TRP A 9 0.878 -0.172 0.096 1.00 0.00 C +ATOM 137 O TRP A 9 2.062 -0.318 -0.208 1.00 0.00 O +ATOM 138 CB TRP A 9 0.524 -0.160 2.603 1.00 0.00 C +ATOM 139 CG TRP A 9 -0.178 -0.608 3.860 1.00 0.00 C +ATOM 140 CD1 TRP A 9 0.389 -1.304 4.873 1.00 0.00 C +ATOM 141 CD2 TRP A 9 -1.521 -0.262 4.330 1.00 0.00 C +ATOM 142 NE1 TRP A 9 -0.497 -1.401 5.930 1.00 0.00 N +ATOM 143 CE2 TRP A 9 -1.680 -0.746 5.662 1.00 0.00 C +ATOM 144 CE3 TRP A 9 -2.600 0.474 3.793 1.00 0.00 C +ATOM 145 CZ2 TRP A 9 -2.834 -0.495 6.426 1.00 0.00 C +ATOM 146 CZ3 TRP A 9 -3.768 0.715 4.535 1.00 0.00 C +ATOM 147 CH2 TRP A 9 -3.882 0.246 5.854 1.00 0.00 C +ATOM 148 H TRP A 9 1.930 -2.280 1.357 1.00 0.00 H +ATOM 149 HA TRP A 9 -0.781 -1.046 1.134 1.00 0.00 H +ATOM 150 HB2 TRP A 9 1.596 -0.105 2.812 1.00 0.00 H +ATOM 151 HB3 TRP A 9 0.200 0.867 2.429 1.00 0.00 H +ATOM 152 HD1 TRP A 9 1.407 -1.674 4.876 1.00 0.00 H +ATOM 153 HE1 TRP A 9 -0.263 -1.829 6.814 1.00 0.00 H +ATOM 154 HE3 TRP A 9 -2.524 0.884 2.802 1.00 0.00 H +ATOM 155 HZ2 TRP A 9 -2.914 -0.850 7.443 1.00 0.00 H +ATOM 156 HZ3 TRP A 9 -4.576 1.284 4.094 1.00 0.00 H +ATOM 157 HH2 TRP A 9 -4.774 0.465 6.425 1.00 0.00 H +ATOM 158 N THR A 10 0.069 0.681 -0.539 1.00 0.00 N +ATOM 159 CA THR A 10 0.446 1.556 -1.665 1.00 0.00 C +ATOM 160 C THR A 10 -0.192 2.951 -1.527 1.00 0.00 C +ATOM 161 O THR A 10 -1.281 3.099 -0.963 1.00 0.00 O +ATOM 162 CB THR A 10 0.108 0.867 -2.999 1.00 0.00 C +ATOM 163 OG1 THR A 10 0.529 1.687 -4.061 1.00 0.00 O +ATOM 164 CG2 THR A 10 -1.371 0.515 -3.188 1.00 0.00 C +ATOM 165 H THR A 10 -0.908 0.707 -0.248 1.00 0.00 H +ATOM 166 HA THR A 10 1.528 1.711 -1.663 1.00 0.00 H +ATOM 167 HB THR A 10 0.677 -0.062 -3.054 1.00 0.00 H +ATOM 168 HG1 THR A 10 0.296 1.249 -4.883 1.00 0.00 H +ATOM 169 HG21 THR A 10 -1.648 -0.280 -2.494 1.00 0.00 H +ATOM 170 HG22 THR A 10 -2.003 1.383 -3.008 1.00 0.00 H +ATOM 171 HG23 THR A 10 -1.543 0.156 -4.203 1.00 0.00 H +ATOM 172 N TRP A 11 0.536 3.999 -1.939 1.00 0.00 N +ATOM 173 CA TRP A 11 0.088 5.397 -1.876 1.00 0.00 C +ATOM 174 C TRP A 11 -0.870 5.718 -3.032 1.00 0.00 C +ATOM 175 O TRP A 11 -0.751 5.154 -4.120 1.00 0.00 O +ATOM 176 CB TRP A 11 1.312 6.331 -1.883 1.00 0.00 C +ATOM 177 CG TRP A 11 1.043 7.805 -1.739 1.00 0.00 C +ATOM 178 CD1 TRP A 11 0.977 8.709 -2.744 1.00 0.00 C +ATOM 179 CD2 TRP A 11 0.852 8.571 -0.512 1.00 0.00 C +ATOM 180 NE1 TRP A 11 0.751 9.971 -2.221 1.00 0.00 N +ATOM 181 CE2 TRP A 11 0.702 9.949 -0.841 1.00 0.00 C +ATOM 182 CE3 TRP A 11 0.807 8.234 0.852 1.00 0.00 C +ATOM 183 CZ2 TRP A 11 0.559 10.946 0.140 1.00 0.00 C +ATOM 184 CZ3 TRP A 11 0.658 9.214 1.847 1.00 0.00 C +ATOM 185 CH2 TRP A 11 0.556 10.574 1.497 1.00 0.00 C +ATOM 186 H TRP A 11 1.389 3.804 -2.443 1.00 0.00 H +ATOM 187 HA TRP A 11 -0.447 5.551 -0.939 1.00 0.00 H +ATOM 188 HB2 TRP A 11 1.958 6.036 -1.053 1.00 0.00 H +ATOM 189 HB3 TRP A 11 1.883 6.173 -2.797 1.00 0.00 H +ATOM 190 HD1 TRP A 11 1.097 8.480 -3.795 1.00 0.00 H +ATOM 191 HE1 TRP A 11 0.668 10.805 -2.786 1.00 0.00 H +ATOM 192 HE3 TRP A 11 0.901 7.197 1.119 1.00 0.00 H +ATOM 193 HZ2 TRP A 11 0.460 11.984 -0.144 1.00 0.00 H +ATOM 194 HZ3 TRP A 11 0.636 8.909 2.880 1.00 0.00 H +ATOM 195 HH2 TRP A 11 0.469 11.323 2.270 1.00 0.00 H +ATOM 196 N LYS A 12 -1.784 6.673 -2.819 1.00 0.00 N +ATOM 197 CA LYS A 12 -2.902 6.951 -3.729 1.00 0.00 C +ATOM 198 C LYS A 12 -2.969 8.436 -4.111 1.00 0.00 C +ATOM 199 O LYS A 12 -3.512 9.263 -3.389 1.00 0.00 O +ATOM 200 CB LYS A 12 -4.192 6.440 -3.067 1.00 0.00 C +ATOM 201 CG LYS A 12 -5.418 6.554 -3.991 1.00 0.00 C +ATOM 202 CD LYS A 12 -6.710 6.594 -3.170 1.00 0.00 C +ATOM 203 CE LYS A 12 -7.910 6.840 -4.088 1.00 0.00 C +ATOM 204 NZ LYS A 12 -9.077 7.329 -3.336 1.00 0.00 N +ATOM 205 H LYS A 12 -1.811 7.091 -1.890 1.00 0.00 H +ATOM 206 HA LYS A 12 -2.767 6.382 -4.651 1.00 0.00 H +ATOM 207 HB2 LYS A 12 -4.064 5.391 -2.793 1.00 0.00 H +ATOM 208 HB3 LYS A 12 -4.358 7.012 -2.153 1.00 0.00 H +ATOM 209 HG2 LYS A 12 -5.364 7.474 -4.574 1.00 0.00 H +ATOM 210 HG3 LYS A 12 -5.433 5.709 -4.682 1.00 0.00 H +ATOM 211 HD2 LYS A 12 -6.842 5.659 -2.627 1.00 0.00 H +ATOM 212 HD3 LYS A 12 -6.639 7.416 -2.455 1.00 0.00 H +ATOM 213 HE2 LYS A 12 -7.638 7.594 -4.827 1.00 0.00 H +ATOM 214 HE3 LYS A 12 -8.171 5.916 -4.605 1.00 0.00 H +ATOM 215 HZ1 LYS A 12 -9.843 7.489 -3.974 1.00 0.00 H +ATOM 216 HZ2 LYS A 12 -9.349 6.647 -2.643 1.00 0.00 H +ATOM 217 HZ3 LYS A 12 -8.838 8.197 -2.877 1.00 0.00 H +TER 218 LYS A 12 +HETATM 219 N NH2 A 13 -2.432 8.785 -5.273 1.00 0.00 N +HETATM 220 HN1 NH2 A 13 -1.972 8.103 -5.854 1.00 0.00 H +HETATM 221 HN2 NH2 A 13 -2.529 9.745 -5.556 1.00 0.00 H +ENDMDL +MODEL 6 +ATOM 1 N SER A 1 -2.130 8.920 -0.599 1.00 0.00 N +ATOM 2 CA SER A 1 -2.737 8.199 0.535 1.00 0.00 C +ATOM 3 C SER A 1 -2.459 6.705 0.460 1.00 0.00 C +ATOM 4 O SER A 1 -2.395 6.113 -0.621 1.00 0.00 O +ATOM 5 CB SER A 1 -4.246 8.457 0.657 1.00 0.00 C +ATOM 6 OG SER A 1 -4.911 8.463 -0.593 1.00 0.00 O +ATOM 7 HA SER A 1 -2.277 8.566 1.449 1.00 0.00 H +ATOM 8 HB2 SER A 1 -4.697 7.695 1.296 1.00 0.00 H +ATOM 9 HB3 SER A 1 -4.389 9.432 1.128 1.00 0.00 H +ATOM 10 HG SER A 1 -5.826 8.733 -0.455 1.00 0.00 H +ATOM 11 H1 SER A 1 -1.131 8.775 -0.591 1.00 0.00 H +ATOM 12 H2 SER A 1 -2.334 9.904 -0.521 1.00 0.00 H +ATOM 13 H3 SER A 1 -2.514 8.562 -1.461 1.00 0.00 H +ATOM 14 N TRP A 2 -2.178 6.099 1.616 1.00 0.00 N +ATOM 15 CA TRP A 2 -2.014 4.656 1.717 1.00 0.00 C +ATOM 16 C TRP A 2 -3.336 3.883 1.605 1.00 0.00 C +ATOM 17 O TRP A 2 -4.296 4.163 2.321 1.00 0.00 O +ATOM 18 CB TRP A 2 -1.294 4.318 3.025 1.00 0.00 C +ATOM 19 CG TRP A 2 0.115 4.830 3.150 1.00 0.00 C +ATOM 20 CD1 TRP A 2 0.534 5.812 3.984 1.00 0.00 C +ATOM 21 CD2 TRP A 2 1.324 4.315 2.510 1.00 0.00 C +ATOM 22 NE1 TRP A 2 1.909 5.942 3.899 1.00 0.00 N +ATOM 23 CE2 TRP A 2 2.450 5.023 3.025 1.00 0.00 C +ATOM 24 CE3 TRP A 2 1.581 3.296 1.571 1.00 0.00 C +ATOM 25 CZ2 TRP A 2 3.768 4.726 2.636 1.00 0.00 C +ATOM 26 CZ3 TRP A 2 2.895 2.971 1.188 1.00 0.00 C +ATOM 27 CH2 TRP A 2 3.988 3.687 1.715 1.00 0.00 C +ATOM 28 H TRP A 2 -2.206 6.628 2.476 1.00 0.00 H +ATOM 29 HA TRP A 2 -1.424 4.351 0.863 1.00 0.00 H +ATOM 30 HB2 TRP A 2 -1.887 4.698 3.863 1.00 0.00 H +ATOM 31 HB3 TRP A 2 -1.265 3.228 3.129 1.00 0.00 H +ATOM 32 HD1 TRP A 2 -0.105 6.402 4.628 1.00 0.00 H +ATOM 33 HE1 TRP A 2 2.443 6.590 4.456 1.00 0.00 H +ATOM 34 HE3 TRP A 2 0.745 2.745 1.185 1.00 0.00 H +ATOM 35 HZ2 TRP A 2 4.598 5.283 3.043 1.00 0.00 H +ATOM 36 HZ3 TRP A 2 3.074 2.157 0.500 1.00 0.00 H +ATOM 37 HH2 TRP A 2 4.995 3.430 1.410 1.00 0.00 H +ATOM 38 N THR A 3 -3.366 2.926 0.673 1.00 0.00 N +ATOM 39 CA THR A 3 -4.404 1.902 0.506 1.00 0.00 C +ATOM 40 C THR A 3 -3.769 0.500 0.513 1.00 0.00 C +ATOM 41 O THR A 3 -2.563 0.357 0.315 1.00 0.00 O +ATOM 42 CB THR A 3 -5.184 2.149 -0.792 1.00 0.00 C +ATOM 43 OG1 THR A 3 -6.280 1.265 -0.837 1.00 0.00 O +ATOM 44 CG2 THR A 3 -4.347 1.963 -2.064 1.00 0.00 C +ATOM 45 H THR A 3 -2.527 2.785 0.116 1.00 0.00 H +ATOM 46 HA THR A 3 -5.121 1.949 1.333 1.00 0.00 H +ATOM 47 HB THR A 3 -5.573 3.170 -0.780 1.00 0.00 H +ATOM 48 HG1 THR A 3 -6.815 1.493 -1.602 1.00 0.00 H +ATOM 49 HG21 THR A 3 -3.634 2.783 -2.139 1.00 0.00 H +ATOM 50 HG22 THR A 3 -3.801 1.022 -2.040 1.00 0.00 H +ATOM 51 HG23 THR A 3 -4.994 1.965 -2.941 1.00 0.00 H +ATOM 52 N TRP A 4 -4.552 -0.533 0.832 1.00 0.00 N +ATOM 53 CA TRP A 4 -4.090 -1.919 0.995 1.00 0.00 C +ATOM 54 C TRP A 4 -4.403 -2.783 -0.240 1.00 0.00 C +ATOM 55 O TRP A 4 -5.570 -2.982 -0.581 1.00 0.00 O +ATOM 56 CB TRP A 4 -4.741 -2.496 2.262 1.00 0.00 C +ATOM 57 CG TRP A 4 -4.476 -3.949 2.516 1.00 0.00 C +ATOM 58 CD1 TRP A 4 -5.258 -4.963 2.081 1.00 0.00 C +ATOM 59 CD2 TRP A 4 -3.377 -4.572 3.246 1.00 0.00 C +ATOM 60 NE1 TRP A 4 -4.730 -6.169 2.496 1.00 0.00 N +ATOM 61 CE2 TRP A 4 -3.575 -5.985 3.227 1.00 0.00 C +ATOM 62 CE3 TRP A 4 -2.228 -4.093 3.910 1.00 0.00 C +ATOM 63 CZ2 TRP A 4 -2.695 -6.882 3.845 1.00 0.00 C +ATOM 64 CZ3 TRP A 4 -1.334 -4.986 4.525 1.00 0.00 C +ATOM 65 CH2 TRP A 4 -1.572 -6.371 4.510 1.00 0.00 C +ATOM 66 H TRP A 4 -5.545 -0.354 0.891 1.00 0.00 H +ATOM 67 HA TRP A 4 -3.011 -1.927 1.151 1.00 0.00 H +ATOM 68 HB2 TRP A 4 -4.394 -1.922 3.122 1.00 0.00 H +ATOM 69 HB3 TRP A 4 -5.820 -2.351 2.195 1.00 0.00 H +ATOM 70 HD1 TRP A 4 -6.160 -4.830 1.491 1.00 0.00 H +ATOM 71 HE1 TRP A 4 -5.160 -7.065 2.306 1.00 0.00 H +ATOM 72 HE3 TRP A 4 -2.053 -3.037 3.958 1.00 0.00 H +ATOM 73 HZ2 TRP A 4 -2.868 -7.955 3.801 1.00 0.00 H +ATOM 74 HZ3 TRP A 4 -0.464 -4.610 5.045 1.00 0.00 H +ATOM 75 HH2 TRP A 4 -0.863 -7.049 4.983 1.00 0.00 H +ATOM 76 N GLU A 5 -3.374 -3.379 -0.860 1.00 0.00 N +ATOM 77 CA GLU A 5 -3.530 -4.301 -1.994 1.00 0.00 C +ATOM 78 C GLU A 5 -2.507 -5.443 -1.888 1.00 0.00 C +ATOM 79 O GLU A 5 -1.450 -5.236 -1.305 1.00 0.00 O +ATOM 80 CB GLU A 5 -3.345 -3.533 -3.324 1.00 0.00 C +ATOM 81 CG GLU A 5 -3.548 -4.382 -4.596 1.00 0.00 C +ATOM 82 CD GLU A 5 -4.837 -5.209 -4.583 1.00 0.00 C +ATOM 83 OE1 GLU A 5 -5.908 -4.608 -4.356 1.00 0.00 O +ATOM 84 OE2 GLU A 5 -4.725 -6.440 -4.785 1.00 0.00 O +ATOM 85 H GLU A 5 -2.432 -3.275 -0.476 1.00 0.00 H +ATOM 86 HA GLU A 5 -4.546 -4.691 -1.963 1.00 0.00 H +ATOM 87 HB2 GLU A 5 -4.052 -2.704 -3.352 1.00 0.00 H +ATOM 88 HB3 GLU A 5 -2.338 -3.113 -3.357 1.00 0.00 H +ATOM 89 HG2 GLU A 5 -3.565 -3.722 -5.464 1.00 0.00 H +ATOM 90 HG3 GLU A 5 -2.693 -5.047 -4.721 1.00 0.00 H +ATOM 91 N ASN A 6 -2.732 -6.606 -2.517 1.00 0.00 N +ATOM 92 CA ASN A 6 -1.772 -7.717 -2.689 1.00 0.00 C +ATOM 93 C ASN A 6 -0.883 -8.082 -1.468 1.00 0.00 C +ATOM 94 O ASN A 6 0.213 -8.607 -1.647 1.00 0.00 O +ATOM 95 CB ASN A 6 -0.999 -7.578 -4.029 1.00 0.00 C +ATOM 96 CG ASN A 6 0.168 -6.587 -4.125 1.00 0.00 C +ATOM 97 OD1 ASN A 6 1.148 -6.842 -4.806 1.00 0.00 O +ATOM 98 ND2 ASN A 6 0.102 -5.407 -3.546 1.00 0.00 N +ATOM 99 H ASN A 6 -3.585 -6.679 -3.058 1.00 0.00 H +ATOM 100 HA ASN A 6 -2.393 -8.603 -2.827 1.00 0.00 H +ATOM 101 HB2 ASN A 6 -0.580 -8.557 -4.264 1.00 0.00 H +ATOM 102 HB3 ASN A 6 -1.702 -7.339 -4.826 1.00 0.00 H +ATOM 103 HD21 ASN A 6 -0.589 -5.210 -2.829 1.00 0.00 H +ATOM 104 HD22 ASN A 6 0.878 -4.798 -3.725 1.00 0.00 H +ATOM 105 N GLY A 7 -1.358 -7.843 -0.238 1.00 0.00 N +ATOM 106 CA GLY A 7 -0.627 -8.112 1.000 1.00 0.00 C +ATOM 107 C GLY A 7 0.147 -6.919 1.594 1.00 0.00 C +ATOM 108 O GLY A 7 0.744 -7.072 2.665 1.00 0.00 O +ATOM 109 H GLY A 7 -2.252 -7.382 -0.175 1.00 0.00 H +ATOM 110 HA2 GLY A 7 -1.335 -8.454 1.755 1.00 0.00 H +ATOM 111 HA3 GLY A 7 0.079 -8.929 0.836 1.00 0.00 H +ATOM 112 N LYS A 8 0.148 -5.736 0.955 1.00 0.00 N +ATOM 113 CA LYS A 8 0.919 -4.590 1.429 1.00 0.00 C +ATOM 114 C LYS A 8 0.178 -3.246 1.310 1.00 0.00 C +ATOM 115 O LYS A 8 -0.775 -3.096 0.539 1.00 0.00 O +ATOM 116 CB LYS A 8 2.280 -4.539 0.712 1.00 0.00 C +ATOM 117 CG LYS A 8 2.187 -4.329 -0.808 1.00 0.00 C +ATOM 118 CD LYS A 8 3.586 -4.251 -1.434 1.00 0.00 C +ATOM 119 CE LYS A 8 3.497 -3.907 -2.923 1.00 0.00 C +ATOM 120 NZ LYS A 8 3.075 -2.510 -3.136 1.00 0.00 N +ATOM 121 H LYS A 8 -0.397 -5.632 0.098 1.00 0.00 H +ATOM 122 HA LYS A 8 1.134 -4.810 2.470 1.00 0.00 H +ATOM 123 HB2 LYS A 8 2.866 -3.722 1.141 1.00 0.00 H +ATOM 124 HB3 LYS A 8 2.818 -5.470 0.910 1.00 0.00 H +ATOM 125 HG2 LYS A 8 1.650 -5.163 -1.257 1.00 0.00 H +ATOM 126 HG3 LYS A 8 1.648 -3.406 -1.010 1.00 0.00 H +ATOM 127 HD2 LYS A 8 4.186 -3.494 -0.925 1.00 0.00 H +ATOM 128 HD3 LYS A 8 4.082 -5.218 -1.324 1.00 0.00 H +ATOM 129 HE2 LYS A 8 4.476 -4.048 -3.379 1.00 0.00 H +ATOM 130 HE3 LYS A 8 2.786 -4.581 -3.402 1.00 0.00 H +ATOM 131 HZ1 LYS A 8 2.984 -2.326 -4.124 1.00 0.00 H +ATOM 132 HZ2 LYS A 8 2.185 -2.347 -2.682 1.00 0.00 H +ATOM 133 HZ3 LYS A 8 3.766 -1.888 -2.738 1.00 0.00 H +ATOM 134 N TRP A 9 0.654 -2.229 2.042 1.00 0.00 N +ATOM 135 CA TRP A 9 0.221 -0.841 1.838 1.00 0.00 C +ATOM 136 C TRP A 9 0.881 -0.265 0.574 1.00 0.00 C +ATOM 137 O TRP A 9 2.053 -0.510 0.296 1.00 0.00 O +ATOM 138 CB TRP A 9 0.547 0.038 3.055 1.00 0.00 C +ATOM 139 CG TRP A 9 -0.262 -0.216 4.298 1.00 0.00 C +ATOM 140 CD1 TRP A 9 0.222 -0.729 5.449 1.00 0.00 C +ATOM 141 CD2 TRP A 9 -1.676 0.073 4.548 1.00 0.00 C +ATOM 142 NE1 TRP A 9 -0.781 -0.769 6.392 1.00 0.00 N +ATOM 143 CE2 TRP A 9 -1.977 -0.303 5.885 1.00 0.00 C +ATOM 144 CE3 TRP A 9 -2.731 0.638 3.793 1.00 0.00 C +ATOM 145 CZ2 TRP A 9 -3.258 -0.155 6.441 1.00 0.00 C +ATOM 146 CZ3 TRP A 9 -4.021 0.781 4.333 1.00 0.00 C +ATOM 147 CH2 TRP A 9 -4.290 0.378 5.651 1.00 0.00 C +ATOM 148 H TRP A 9 1.475 -2.401 2.602 1.00 0.00 H +ATOM 149 HA TRP A 9 -0.853 -0.839 1.684 1.00 0.00 H +ATOM 150 HB2 TRP A 9 1.615 -0.039 3.287 1.00 0.00 H +ATOM 151 HB3 TRP A 9 0.369 1.082 2.789 1.00 0.00 H +ATOM 152 HD1 TRP A 9 1.252 -1.020 5.611 1.00 0.00 H +ATOM 153 HE1 TRP A 9 -0.637 -1.065 7.349 1.00 0.00 H +ATOM 154 HE3 TRP A 9 -2.565 0.984 2.786 1.00 0.00 H +ATOM 155 HZ2 TRP A 9 -3.450 -0.430 7.472 1.00 0.00 H +ATOM 156 HZ3 TRP A 9 -4.811 1.210 3.732 1.00 0.00 H +ATOM 157 HH2 TRP A 9 -5.285 0.504 6.061 1.00 0.00 H +ATOM 158 N THR A 10 0.125 0.542 -0.170 1.00 0.00 N +ATOM 159 CA THR A 10 0.478 1.149 -1.455 1.00 0.00 C +ATOM 160 C THR A 10 -0.018 2.604 -1.458 1.00 0.00 C +ATOM 161 O THR A 10 -1.155 2.868 -1.066 1.00 0.00 O +ATOM 162 CB THR A 10 -0.186 0.319 -2.570 1.00 0.00 C +ATOM 163 OG1 THR A 10 0.324 -0.999 -2.543 1.00 0.00 O +ATOM 164 CG2 THR A 10 0.048 0.843 -3.986 1.00 0.00 C +ATOM 165 H THR A 10 -0.846 0.661 0.115 1.00 0.00 H +ATOM 166 HA THR A 10 1.560 1.138 -1.598 1.00 0.00 H +ATOM 167 HB THR A 10 -1.261 0.284 -2.384 1.00 0.00 H +ATOM 168 HG1 THR A 10 0.240 -1.328 -1.643 1.00 0.00 H +ATOM 169 HG21 THR A 10 1.089 0.687 -4.275 1.00 0.00 H +ATOM 170 HG22 THR A 10 -0.596 0.286 -4.670 1.00 0.00 H +ATOM 171 HG23 THR A 10 -0.202 1.900 -4.054 1.00 0.00 H +ATOM 172 N TRP A 11 0.839 3.572 -1.814 1.00 0.00 N +ATOM 173 CA TRP A 11 0.464 4.988 -1.942 1.00 0.00 C +ATOM 174 C TRP A 11 -0.268 5.225 -3.275 1.00 0.00 C +ATOM 175 O TRP A 11 0.343 5.189 -4.341 1.00 0.00 O +ATOM 176 CB TRP A 11 1.705 5.875 -1.757 1.00 0.00 C +ATOM 177 CG TRP A 11 1.485 7.358 -1.671 1.00 0.00 C +ATOM 178 CD1 TRP A 11 1.494 8.222 -2.716 1.00 0.00 C +ATOM 179 CD2 TRP A 11 1.329 8.179 -0.474 1.00 0.00 C +ATOM 180 NE1 TRP A 11 1.419 9.520 -2.239 1.00 0.00 N +ATOM 181 CE2 TRP A 11 1.368 9.551 -0.860 1.00 0.00 C +ATOM 182 CE3 TRP A 11 1.189 7.905 0.900 1.00 0.00 C +ATOM 183 CZ2 TRP A 11 1.353 10.597 0.077 1.00 0.00 C +ATOM 184 CZ3 TRP A 11 1.124 8.940 1.850 1.00 0.00 C +ATOM 185 CH2 TRP A 11 1.233 10.282 1.444 1.00 0.00 C +ATOM 186 H TRP A 11 1.784 3.323 -2.067 1.00 0.00 H +ATOM 187 HA TRP A 11 -0.207 5.243 -1.124 1.00 0.00 H +ATOM 188 HB2 TRP A 11 2.183 5.579 -0.822 1.00 0.00 H +ATOM 189 HB3 TRP A 11 2.428 5.680 -2.547 1.00 0.00 H +ATOM 190 HD1 TRP A 11 1.608 7.930 -3.758 1.00 0.00 H +ATOM 191 HE1 TRP A 11 1.456 10.340 -2.834 1.00 0.00 H +ATOM 192 HE3 TRP A 11 1.151 6.876 1.212 1.00 0.00 H +ATOM 193 HZ2 TRP A 11 1.436 11.627 -0.245 1.00 0.00 H +ATOM 194 HZ3 TRP A 11 1.015 8.701 2.894 1.00 0.00 H +ATOM 195 HH2 TRP A 11 1.228 11.076 2.180 1.00 0.00 H +ATOM 196 N LYS A 12 -1.590 5.434 -3.200 1.00 0.00 N +ATOM 197 CA LYS A 12 -2.519 5.585 -4.338 1.00 0.00 C +ATOM 198 C LYS A 12 -3.577 6.678 -4.115 1.00 0.00 C +ATOM 199 O LYS A 12 -4.175 7.177 -5.059 1.00 0.00 O +ATOM 200 CB LYS A 12 -3.218 4.234 -4.590 1.00 0.00 C +ATOM 201 CG LYS A 12 -3.670 4.048 -6.046 1.00 0.00 C +ATOM 202 CD LYS A 12 -4.449 2.740 -6.257 1.00 0.00 C +ATOM 203 CE LYS A 12 -5.925 2.875 -5.868 1.00 0.00 C +ATOM 204 NZ LYS A 12 -6.703 1.717 -6.343 1.00 0.00 N +ATOM 205 H LYS A 12 -1.967 5.450 -2.256 1.00 0.00 H +ATOM 206 HA LYS A 12 -1.953 5.864 -5.227 1.00 0.00 H +ATOM 207 HB2 LYS A 12 -2.531 3.421 -4.350 1.00 0.00 H +ATOM 208 HB3 LYS A 12 -4.086 4.159 -3.934 1.00 0.00 H +ATOM 209 HG2 LYS A 12 -4.289 4.887 -6.366 1.00 0.00 H +ATOM 210 HG3 LYS A 12 -2.779 4.022 -6.675 1.00 0.00 H +ATOM 211 HD2 LYS A 12 -4.394 2.479 -7.315 1.00 0.00 H +ATOM 212 HD3 LYS A 12 -3.994 1.934 -5.679 1.00 0.00 H +ATOM 213 HE2 LYS A 12 -6.010 2.950 -4.784 1.00 0.00 H +ATOM 214 HE3 LYS A 12 -6.335 3.781 -6.319 1.00 0.00 H +ATOM 215 HZ1 LYS A 12 -6.822 1.783 -7.344 1.00 0.00 H +ATOM 216 HZ2 LYS A 12 -6.206 0.865 -6.124 1.00 0.00 H +ATOM 217 HZ3 LYS A 12 -7.609 1.705 -5.898 1.00 0.00 H +TER 218 LYS A 12 +HETATM 219 N NH2 A 13 -3.822 7.073 -2.873 1.00 0.00 N +HETATM 220 HN1 NH2 A 13 -3.328 6.657 -2.093 1.00 0.00 H +HETATM 221 HN2 NH2 A 13 -4.522 7.778 -2.695 1.00 0.00 H +ENDMDL +MODEL 7 +ATOM 1 N SER A 1 -3.506 8.785 2.641 1.00 0.00 N +ATOM 2 CA SER A 1 -3.293 8.448 1.217 1.00 0.00 C +ATOM 3 C SER A 1 -2.638 7.069 0.984 1.00 0.00 C +ATOM 4 O SER A 1 -2.120 6.806 -0.113 1.00 0.00 O +ATOM 5 CB SER A 1 -2.456 9.544 0.562 1.00 0.00 C +ATOM 6 OG SER A 1 -2.579 9.450 -0.837 1.00 0.00 O +ATOM 7 HA SER A 1 -4.270 8.437 0.735 1.00 0.00 H +ATOM 8 HB2 SER A 1 -2.771 10.531 0.902 1.00 0.00 H +ATOM 9 HB3 SER A 1 -1.423 9.386 0.842 1.00 0.00 H +ATOM 10 HG SER A 1 -2.325 8.544 -1.059 1.00 0.00 H +ATOM 11 H1 SER A 1 -4.251 9.464 2.711 1.00 0.00 H +ATOM 12 H2 SER A 1 -2.662 9.185 3.027 1.00 0.00 H +ATOM 13 H3 SER A 1 -3.763 7.960 3.163 1.00 0.00 H +ATOM 14 N TRP A 2 -2.677 6.169 1.977 1.00 0.00 N +ATOM 15 CA TRP A 2 -2.207 4.792 1.862 1.00 0.00 C +ATOM 16 C TRP A 2 -3.406 3.837 1.768 1.00 0.00 C +ATOM 17 O TRP A 2 -4.326 3.957 2.573 1.00 0.00 O +ATOM 18 CB TRP A 2 -1.314 4.458 3.081 1.00 0.00 C +ATOM 19 CG TRP A 2 0.098 4.979 3.054 1.00 0.00 C +ATOM 20 CD1 TRP A 2 0.585 6.015 3.778 1.00 0.00 C +ATOM 21 CD2 TRP A 2 1.246 4.439 2.329 1.00 0.00 C +ATOM 22 NE1 TRP A 2 1.941 6.152 3.544 1.00 0.00 N +ATOM 23 CE2 TRP A 2 2.402 5.204 2.657 1.00 0.00 C +ATOM 24 CE3 TRP A 2 1.431 3.352 1.454 1.00 0.00 C +ATOM 25 CZ2 TRP A 2 3.667 4.936 2.111 1.00 0.00 C +ATOM 26 CZ3 TRP A 2 2.699 3.051 0.914 1.00 0.00 C +ATOM 27 CH2 TRP A 2 3.812 3.854 1.225 1.00 0.00 C +ATOM 28 H TRP A 2 -3.181 6.384 2.826 1.00 0.00 H +ATOM 29 HA TRP A 2 -1.645 4.712 0.937 1.00 0.00 H +ATOM 30 HB2 TRP A 2 -1.802 4.824 3.986 1.00 0.00 H +ATOM 31 HB3 TRP A 2 -1.251 3.374 3.207 1.00 0.00 H +ATOM 32 HD1 TRP A 2 0.008 6.637 4.450 1.00 0.00 H +ATOM 33 HE1 TRP A 2 2.521 6.854 3.979 1.00 0.00 H +ATOM 34 HE3 TRP A 2 0.571 2.750 1.222 1.00 0.00 H +ATOM 35 HZ2 TRP A 2 4.516 5.553 2.367 1.00 0.00 H +ATOM 36 HZ3 TRP A 2 2.824 2.208 0.251 1.00 0.00 H +ATOM 37 HH2 TRP A 2 4.776 3.637 0.788 1.00 0.00 H +ATOM 38 N THR A 3 -3.380 2.880 0.825 1.00 0.00 N +ATOM 39 CA THR A 3 -4.385 1.802 0.671 1.00 0.00 C +ATOM 40 C THR A 3 -3.746 0.425 0.847 1.00 0.00 C +ATOM 41 O THR A 3 -2.548 0.258 0.612 1.00 0.00 O +ATOM 42 CB THR A 3 -5.118 1.891 -0.682 1.00 0.00 C +ATOM 43 OG1 THR A 3 -6.265 1.076 -0.619 1.00 0.00 O +ATOM 44 CG2 THR A 3 -4.323 1.450 -1.918 1.00 0.00 C +ATOM 45 H THR A 3 -2.571 2.834 0.208 1.00 0.00 H +ATOM 46 HA THR A 3 -5.159 1.899 1.437 1.00 0.00 H +ATOM 47 HB THR A 3 -5.444 2.920 -0.828 1.00 0.00 H +ATOM 48 HG1 THR A 3 -6.041 0.198 -0.947 1.00 0.00 H +ATOM 49 HG21 THR A 3 -3.504 2.143 -2.100 1.00 0.00 H +ATOM 50 HG22 THR A 3 -3.921 0.444 -1.793 1.00 0.00 H +ATOM 51 HG23 THR A 3 -4.978 1.451 -2.790 1.00 0.00 H +ATOM 52 N TRP A 4 -4.535 -0.566 1.272 1.00 0.00 N +ATOM 53 CA TRP A 4 -4.114 -1.966 1.291 1.00 0.00 C +ATOM 54 C TRP A 4 -4.380 -2.639 -0.061 1.00 0.00 C +ATOM 55 O TRP A 4 -5.485 -2.568 -0.600 1.00 0.00 O +ATOM 56 CB TRP A 4 -4.817 -2.689 2.449 1.00 0.00 C +ATOM 57 CG TRP A 4 -4.488 -4.141 2.624 1.00 0.00 C +ATOM 58 CD1 TRP A 4 -5.249 -5.168 2.182 1.00 0.00 C +ATOM 59 CD2 TRP A 4 -3.353 -4.753 3.314 1.00 0.00 C +ATOM 60 NE1 TRP A 4 -4.679 -6.367 2.563 1.00 0.00 N +ATOM 61 CE2 TRP A 4 -3.516 -6.168 3.275 1.00 0.00 C +ATOM 62 CE3 TRP A 4 -2.205 -4.263 3.975 1.00 0.00 C +ATOM 63 CZ2 TRP A 4 -2.619 -7.046 3.895 1.00 0.00 C +ATOM 64 CZ3 TRP A 4 -1.283 -5.137 4.580 1.00 0.00 C +ATOM 65 CH2 TRP A 4 -1.493 -6.525 4.551 1.00 0.00 C +ATOM 66 H TRP A 4 -5.510 -0.362 1.444 1.00 0.00 H +ATOM 67 HA TRP A 4 -3.039 -1.985 1.455 1.00 0.00 H +ATOM 68 HB2 TRP A 4 -4.561 -2.178 3.378 1.00 0.00 H +ATOM 69 HB3 TRP A 4 -5.896 -2.599 2.318 1.00 0.00 H +ATOM 70 HD1 TRP A 4 -6.179 -5.054 1.640 1.00 0.00 H +ATOM 71 HE1 TRP A 4 -5.103 -7.268 2.391 1.00 0.00 H +ATOM 72 HE3 TRP A 4 -2.036 -3.200 4.014 1.00 0.00 H +ATOM 73 HZ2 TRP A 4 -2.794 -8.111 3.878 1.00 0.00 H +ATOM 74 HZ3 TRP A 4 -0.406 -4.744 5.074 1.00 0.00 H +ATOM 75 HH2 TRP A 4 -0.780 -7.190 5.019 1.00 0.00 H +ATOM 76 N GLU A 5 -3.351 -3.287 -0.615 1.00 0.00 N +ATOM 77 CA GLU A 5 -3.350 -3.897 -1.936 1.00 0.00 C +ATOM 78 C GLU A 5 -2.566 -5.220 -1.889 1.00 0.00 C +ATOM 79 O GLU A 5 -1.395 -5.216 -1.527 1.00 0.00 O +ATOM 80 CB GLU A 5 -2.687 -2.902 -2.900 1.00 0.00 C +ATOM 81 CG GLU A 5 -2.724 -3.351 -4.363 1.00 0.00 C +ATOM 82 CD GLU A 5 -1.940 -2.375 -5.240 1.00 0.00 C +ATOM 83 OE1 GLU A 5 -2.457 -1.256 -5.452 1.00 0.00 O +ATOM 84 OE2 GLU A 5 -0.832 -2.760 -5.674 1.00 0.00 O +ATOM 85 H GLU A 5 -2.431 -3.226 -0.178 1.00 0.00 H +ATOM 86 HA GLU A 5 -4.382 -4.060 -2.248 1.00 0.00 H +ATOM 87 HB2 GLU A 5 -3.188 -1.935 -2.820 1.00 0.00 H +ATOM 88 HB3 GLU A 5 -1.648 -2.771 -2.602 1.00 0.00 H +ATOM 89 HG2 GLU A 5 -2.289 -4.346 -4.456 1.00 0.00 H +ATOM 90 HG3 GLU A 5 -3.760 -3.392 -4.702 1.00 0.00 H +ATOM 91 N ASN A 6 -3.182 -6.357 -2.249 1.00 0.00 N +ATOM 92 CA ASN A 6 -2.503 -7.654 -2.423 1.00 0.00 C +ATOM 93 C ASN A 6 -1.565 -8.084 -1.258 1.00 0.00 C +ATOM 94 O ASN A 6 -0.531 -8.712 -1.497 1.00 0.00 O +ATOM 95 CB ASN A 6 -1.794 -7.638 -3.800 1.00 0.00 C +ATOM 96 CG ASN A 6 -1.678 -9.013 -4.449 1.00 0.00 C +ATOM 97 OD1 ASN A 6 -2.294 -9.292 -5.463 1.00 0.00 O +ATOM 98 ND2 ASN A 6 -0.898 -9.906 -3.882 1.00 0.00 N +ATOM 99 H ASN A 6 -4.142 -6.294 -2.552 1.00 0.00 H +ATOM 100 HA ASN A 6 -3.287 -8.412 -2.475 1.00 0.00 H +ATOM 101 HB2 ASN A 6 -2.347 -7.003 -4.493 1.00 0.00 H +ATOM 102 HB3 ASN A 6 -0.796 -7.210 -3.690 1.00 0.00 H +ATOM 103 HD21 ASN A 6 -0.453 -9.659 -2.996 1.00 0.00 H +ATOM 104 HD22 ASN A 6 -0.833 -10.810 -4.316 1.00 0.00 H +ATOM 105 N GLY A 7 -1.893 -7.761 0.003 1.00 0.00 N +ATOM 106 CA GLY A 7 -1.013 -8.053 1.144 1.00 0.00 C +ATOM 107 C GLY A 7 -0.063 -6.908 1.549 1.00 0.00 C +ATOM 108 O GLY A 7 0.784 -7.116 2.419 1.00 0.00 O +ATOM 109 H GLY A 7 -2.755 -7.264 0.161 1.00 0.00 H +ATOM 110 HA2 GLY A 7 -1.606 -8.365 2.000 1.00 0.00 H +ATOM 111 HA3 GLY A 7 -0.385 -8.913 0.905 1.00 0.00 H +ATOM 112 N LYS A 8 -0.146 -5.727 0.911 1.00 0.00 N +ATOM 113 CA LYS A 8 0.852 -4.660 1.035 1.00 0.00 C +ATOM 114 C LYS A 8 0.215 -3.256 1.082 1.00 0.00 C +ATOM 115 O LYS A 8 -0.722 -2.974 0.331 1.00 0.00 O +ATOM 116 CB LYS A 8 1.784 -4.814 -0.185 1.00 0.00 C +ATOM 117 CG LYS A 8 3.223 -4.342 0.062 1.00 0.00 C +ATOM 118 CD LYS A 8 4.093 -4.530 -1.198 1.00 0.00 C +ATOM 119 CE LYS A 8 4.254 -3.265 -2.053 1.00 0.00 C +ATOM 120 NZ LYS A 8 2.980 -2.575 -2.325 1.00 0.00 N +ATOM 121 H LYS A 8 -0.803 -5.639 0.136 1.00 0.00 H +ATOM 122 HA LYS A 8 1.416 -4.853 1.946 1.00 0.00 H +ATOM 123 HB2 LYS A 8 1.841 -5.870 -0.458 1.00 0.00 H +ATOM 124 HB3 LYS A 8 1.351 -4.287 -1.037 1.00 0.00 H +ATOM 125 HG2 LYS A 8 3.236 -3.300 0.382 1.00 0.00 H +ATOM 126 HG3 LYS A 8 3.643 -4.954 0.864 1.00 0.00 H +ATOM 127 HD2 LYS A 8 5.091 -4.839 -0.885 1.00 0.00 H +ATOM 128 HD3 LYS A 8 3.689 -5.333 -1.817 1.00 0.00 H +ATOM 129 HE2 LYS A 8 4.919 -2.575 -1.533 1.00 0.00 H +ATOM 130 HE3 LYS A 8 4.714 -3.541 -3.003 1.00 0.00 H +ATOM 131 HZ1 LYS A 8 2.372 -3.174 -2.865 1.00 0.00 H +ATOM 132 HZ2 LYS A 8 2.530 -2.345 -1.450 1.00 0.00 H +ATOM 133 HZ3 LYS A 8 3.157 -1.723 -2.837 1.00 0.00 H +ATOM 134 N TRP A 9 0.720 -2.334 1.916 1.00 0.00 N +ATOM 135 CA TRP A 9 0.299 -0.923 1.837 1.00 0.00 C +ATOM 136 C TRP A 9 0.934 -0.231 0.625 1.00 0.00 C +ATOM 137 O TRP A 9 2.130 -0.371 0.380 1.00 0.00 O +ATOM 138 CB TRP A 9 0.604 -0.120 3.110 1.00 0.00 C +ATOM 139 CG TRP A 9 -0.174 -0.521 4.327 1.00 0.00 C +ATOM 140 CD1 TRP A 9 0.324 -1.214 5.374 1.00 0.00 C +ATOM 141 CD2 TRP A 9 -1.550 -0.178 4.688 1.00 0.00 C +ATOM 142 NE1 TRP A 9 -0.646 -1.340 6.348 1.00 0.00 N +ATOM 143 CE2 TRP A 9 -1.804 -0.681 5.997 1.00 0.00 C +ATOM 144 CE3 TRP A 9 -2.585 0.569 4.082 1.00 0.00 C +ATOM 145 CZ2 TRP A 9 -3.015 -0.462 6.672 1.00 0.00 C +ATOM 146 CZ3 TRP A 9 -3.804 0.798 4.748 1.00 0.00 C +ATOM 147 CH2 TRP A 9 -4.021 0.284 6.037 1.00 0.00 C +ATOM 148 H TRP A 9 1.498 -2.580 2.506 1.00 0.00 H +ATOM 149 HA TRP A 9 -0.782 -0.906 1.709 1.00 0.00 H +ATOM 150 HB2 TRP A 9 1.675 -0.124 3.328 1.00 0.00 H +ATOM 151 HB3 TRP A 9 0.341 0.919 2.910 1.00 0.00 H +ATOM 152 HD1 TRP A 9 1.337 -1.587 5.440 1.00 0.00 H +ATOM 153 HE1 TRP A 9 -0.498 -1.809 7.230 1.00 0.00 H +ATOM 154 HE3 TRP A 9 -2.433 1.010 3.112 1.00 0.00 H +ATOM 155 HZ2 TRP A 9 -3.168 -0.866 7.661 1.00 0.00 H +ATOM 156 HZ3 TRP A 9 -4.577 1.376 4.263 1.00 0.00 H +ATOM 157 HH2 TRP A 9 -4.961 0.466 6.542 1.00 0.00 H +ATOM 158 N THR A 10 0.134 0.576 -0.080 1.00 0.00 N +ATOM 159 CA THR A 10 0.450 1.175 -1.387 1.00 0.00 C +ATOM 160 C THR A 10 -0.061 2.632 -1.437 1.00 0.00 C +ATOM 161 O THR A 10 -1.200 2.900 -1.044 1.00 0.00 O +ATOM 162 CB THR A 10 -0.173 0.275 -2.475 1.00 0.00 C +ATOM 163 OG1 THR A 10 0.249 -1.064 -2.302 1.00 0.00 O +ATOM 164 CG2 THR A 10 0.265 0.647 -3.886 1.00 0.00 C +ATOM 165 H THR A 10 -0.843 0.621 0.210 1.00 0.00 H +ATOM 166 HA THR A 10 1.529 1.183 -1.553 1.00 0.00 H +ATOM 167 HB THR A 10 -1.261 0.312 -2.411 1.00 0.00 H +ATOM 168 HG1 THR A 10 -0.247 -1.454 -1.574 1.00 0.00 H +ATOM 169 HG21 THR A 10 -0.124 1.627 -4.157 1.00 0.00 H +ATOM 170 HG22 THR A 10 1.354 0.641 -3.948 1.00 0.00 H +ATOM 171 HG23 THR A 10 -0.126 -0.098 -4.577 1.00 0.00 H +ATOM 172 N TRP A 11 0.800 3.607 -1.784 1.00 0.00 N +ATOM 173 CA TRP A 11 0.410 5.026 -1.914 1.00 0.00 C +ATOM 174 C TRP A 11 -0.460 5.224 -3.159 1.00 0.00 C +ATOM 175 O TRP A 11 -0.038 4.887 -4.265 1.00 0.00 O +ATOM 176 CB TRP A 11 1.631 5.963 -1.973 1.00 0.00 C +ATOM 177 CG TRP A 11 1.311 7.436 -1.934 1.00 0.00 C +ATOM 178 CD1 TRP A 11 1.164 8.261 -2.998 1.00 0.00 C +ATOM 179 CD2 TRP A 11 1.133 8.287 -0.762 1.00 0.00 C +ATOM 180 NE1 TRP A 11 0.928 9.554 -2.557 1.00 0.00 N +ATOM 181 CE2 TRP A 11 0.937 9.634 -1.179 1.00 0.00 C +ATOM 182 CE3 TRP A 11 1.135 8.047 0.622 1.00 0.00 C +ATOM 183 CZ2 TRP A 11 0.798 10.692 -0.261 1.00 0.00 C +ATOM 184 CZ3 TRP A 11 0.992 9.085 1.557 1.00 0.00 C +ATOM 185 CH2 TRP A 11 0.843 10.416 1.120 1.00 0.00 C +ATOM 186 H TRP A 11 1.747 3.359 -2.035 1.00 0.00 H +ATOM 187 HA TRP A 11 -0.169 5.305 -1.033 1.00 0.00 H +ATOM 188 HB2 TRP A 11 2.275 5.742 -1.120 1.00 0.00 H +ATOM 189 HB3 TRP A 11 2.216 5.759 -2.868 1.00 0.00 H +ATOM 190 HD1 TRP A 11 1.246 7.953 -4.034 1.00 0.00 H +ATOM 191 HE1 TRP A 11 0.810 10.348 -3.172 1.00 0.00 H +ATOM 192 HE3 TRP A 11 1.262 7.035 0.945 1.00 0.00 H +ATOM 193 HZ2 TRP A 11 0.643 11.703 -0.609 1.00 0.00 H +ATOM 194 HZ3 TRP A 11 0.992 8.845 2.608 1.00 0.00 H +ATOM 195 HH2 TRP A 11 0.730 11.213 1.843 1.00 0.00 H +ATOM 196 N LYS A 12 -1.657 5.799 -2.982 1.00 0.00 N +ATOM 197 CA LYS A 12 -2.672 5.920 -4.045 1.00 0.00 C +ATOM 198 C LYS A 12 -2.908 7.351 -4.553 1.00 0.00 C +ATOM 199 O LYS A 12 -3.689 7.557 -5.472 1.00 0.00 O +ATOM 200 CB LYS A 12 -3.960 5.184 -3.624 1.00 0.00 C +ATOM 201 CG LYS A 12 -4.591 5.582 -2.275 1.00 0.00 C +ATOM 202 CD LYS A 12 -5.160 7.009 -2.187 1.00 0.00 C +ATOM 203 CE LYS A 12 -6.256 7.300 -3.221 1.00 0.00 C +ATOM 204 NZ LYS A 12 -7.410 6.395 -3.081 1.00 0.00 N +ATOM 205 H LYS A 12 -1.918 6.043 -2.030 1.00 0.00 H +ATOM 206 HA LYS A 12 -2.308 5.388 -4.926 1.00 0.00 H +ATOM 207 HB2 LYS A 12 -4.705 5.281 -4.414 1.00 0.00 H +ATOM 208 HB3 LYS A 12 -3.716 4.122 -3.557 1.00 0.00 H +ATOM 209 HG2 LYS A 12 -5.399 4.883 -2.068 1.00 0.00 H +ATOM 210 HG3 LYS A 12 -3.857 5.446 -1.482 1.00 0.00 H +ATOM 211 HD2 LYS A 12 -5.574 7.155 -1.189 1.00 0.00 H +ATOM 212 HD3 LYS A 12 -4.356 7.732 -2.311 1.00 0.00 H +ATOM 213 HE2 LYS A 12 -6.598 8.327 -3.088 1.00 0.00 H +ATOM 214 HE3 LYS A 12 -5.845 7.199 -4.226 1.00 0.00 H +ATOM 215 HZ1 LYS A 12 -7.754 6.429 -2.131 1.00 0.00 H +ATOM 216 HZ2 LYS A 12 -8.144 6.678 -3.714 1.00 0.00 H +ATOM 217 HZ3 LYS A 12 -7.124 5.451 -3.299 1.00 0.00 H +TER 218 LYS A 12 +HETATM 219 N NH2 A 13 -2.239 8.353 -3.996 1.00 0.00 N +HETATM 220 HN1 NH2 A 13 -1.581 8.183 -3.253 1.00 0.00 H +HETATM 221 HN2 NH2 A 13 -2.419 9.280 -4.346 1.00 0.00 H +ENDMDL +MODEL 8 +ATOM 1 N SER A 1 -4.958 7.757 1.946 1.00 0.00 N +ATOM 2 CA SER A 1 -4.062 7.738 0.774 1.00 0.00 C +ATOM 3 C SER A 1 -3.452 6.346 0.630 1.00 0.00 C +ATOM 4 O SER A 1 -3.698 5.657 -0.365 1.00 0.00 O +ATOM 5 CB SER A 1 -2.984 8.823 0.874 1.00 0.00 C +ATOM 6 OG SER A 1 -2.063 8.675 -0.185 1.00 0.00 O +ATOM 7 HA SER A 1 -4.659 7.947 -0.113 1.00 0.00 H +ATOM 8 HB2 SER A 1 -3.446 9.812 0.839 1.00 0.00 H +ATOM 9 HB3 SER A 1 -2.444 8.723 1.816 1.00 0.00 H +ATOM 10 HG SER A 1 -2.382 9.154 -0.999 1.00 0.00 H +ATOM 11 H1 SER A 1 -4.513 7.273 2.714 1.00 0.00 H +ATOM 12 H2 SER A 1 -5.819 7.280 1.714 1.00 0.00 H +ATOM 13 H3 SER A 1 -5.159 8.708 2.218 1.00 0.00 H +ATOM 14 N TRP A 2 -2.615 5.943 1.597 1.00 0.00 N +ATOM 15 CA TRP A 2 -2.167 4.564 1.722 1.00 0.00 C +ATOM 16 C TRP A 2 -3.358 3.591 1.652 1.00 0.00 C +ATOM 17 O TRP A 2 -4.294 3.697 2.440 1.00 0.00 O +ATOM 18 CB TRP A 2 -1.345 4.366 3.004 1.00 0.00 C +ATOM 19 CG TRP A 2 0.005 5.026 3.090 1.00 0.00 C +ATOM 20 CD1 TRP A 2 0.345 5.992 3.976 1.00 0.00 C +ATOM 21 CD2 TRP A 2 1.251 4.657 2.414 1.00 0.00 C +ATOM 22 NE1 TRP A 2 1.700 6.246 3.893 1.00 0.00 N +ATOM 23 CE2 TRP A 2 2.322 5.396 3.004 1.00 0.00 C +ATOM 24 CE3 TRP A 2 1.601 3.716 1.419 1.00 0.00 C +ATOM 25 CZ2 TRP A 2 3.667 5.188 2.655 1.00 0.00 C +ATOM 26 CZ3 TRP A 2 2.948 3.490 1.064 1.00 0.00 C +ATOM 27 CH2 TRP A 2 3.979 4.218 1.687 1.00 0.00 C +ATOM 28 H TRP A 2 -2.383 6.571 2.350 1.00 0.00 H +ATOM 29 HA TRP A 2 -1.549 4.358 0.866 1.00 0.00 H +ATOM 30 HB2 TRP A 2 -1.948 4.682 3.858 1.00 0.00 H +ATOM 31 HB3 TRP A 2 -1.175 3.296 3.127 1.00 0.00 H +ATOM 32 HD1 TRP A 2 -0.337 6.456 4.680 1.00 0.00 H +ATOM 33 HE1 TRP A 2 2.182 6.928 4.466 1.00 0.00 H +ATOM 34 HE3 TRP A 2 0.819 3.136 0.961 1.00 0.00 H +ATOM 35 HZ2 TRP A 2 4.450 5.762 3.128 1.00 0.00 H +ATOM 36 HZ3 TRP A 2 3.195 2.737 0.330 1.00 0.00 H +ATOM 37 HH2 TRP A 2 5.010 4.028 1.420 1.00 0.00 H +ATOM 38 N THR A 3 -3.340 2.692 0.662 1.00 0.00 N +ATOM 39 CA THR A 3 -4.392 1.715 0.341 1.00 0.00 C +ATOM 40 C THR A 3 -3.818 0.302 0.431 1.00 0.00 C +ATOM 41 O THR A 3 -2.663 0.096 0.063 1.00 0.00 O +ATOM 42 CB THR A 3 -4.895 1.986 -1.086 1.00 0.00 C +ATOM 43 OG1 THR A 3 -5.431 3.289 -1.146 1.00 0.00 O +ATOM 44 CG2 THR A 3 -5.970 1.010 -1.584 1.00 0.00 C +ATOM 45 H THR A 3 -2.550 2.734 0.020 1.00 0.00 H +ATOM 46 HA THR A 3 -5.224 1.811 1.040 1.00 0.00 H +ATOM 47 HB THR A 3 -4.045 1.929 -1.766 1.00 0.00 H +ATOM 48 HG1 THR A 3 -4.759 3.919 -0.842 1.00 0.00 H +ATOM 49 HG21 THR A 3 -6.153 1.193 -2.641 1.00 0.00 H +ATOM 50 HG22 THR A 3 -5.644 -0.026 -1.487 1.00 0.00 H +ATOM 51 HG23 THR A 3 -6.900 1.154 -1.033 1.00 0.00 H +ATOM 52 N TRP A 4 -4.607 -0.664 0.914 1.00 0.00 N +ATOM 53 CA TRP A 4 -4.209 -2.068 1.037 1.00 0.00 C +ATOM 54 C TRP A 4 -4.596 -2.886 -0.202 1.00 0.00 C +ATOM 55 O TRP A 4 -5.783 -3.076 -0.489 1.00 0.00 O +ATOM 56 CB TRP A 4 -4.832 -2.668 2.301 1.00 0.00 C +ATOM 57 CG TRP A 4 -4.562 -4.133 2.486 1.00 0.00 C +ATOM 58 CD1 TRP A 4 -5.323 -5.123 1.969 1.00 0.00 C +ATOM 59 CD2 TRP A 4 -3.464 -4.795 3.185 1.00 0.00 C +ATOM 60 NE1 TRP A 4 -4.781 -6.347 2.295 1.00 0.00 N +ATOM 61 CE2 TRP A 4 -3.633 -6.205 3.043 1.00 0.00 C +ATOM 62 CE3 TRP A 4 -2.345 -4.358 3.929 1.00 0.00 C +ATOM 63 CZ2 TRP A 4 -2.742 -7.134 3.598 1.00 0.00 C +ATOM 64 CZ3 TRP A 4 -1.441 -5.283 4.489 1.00 0.00 C +ATOM 65 CH2 TRP A 4 -1.637 -6.666 4.324 1.00 0.00 C +ATOM 66 H TRP A 4 -5.550 -0.433 1.190 1.00 0.00 H +ATOM 67 HA TRP A 4 -3.128 -2.122 1.154 1.00 0.00 H +ATOM 68 HB2 TRP A 4 -4.454 -2.129 3.170 1.00 0.00 H +ATOM 69 HB3 TRP A 4 -5.914 -2.523 2.267 1.00 0.00 H +ATOM 70 HD1 TRP A 4 -6.215 -4.958 1.374 1.00 0.00 H +ATOM 71 HE1 TRP A 4 -5.196 -7.229 2.033 1.00 0.00 H +ATOM 72 HE3 TRP A 4 -2.189 -3.300 4.072 1.00 0.00 H +ATOM 73 HZ2 TRP A 4 -2.905 -8.193 3.465 1.00 0.00 H +ATOM 74 HZ3 TRP A 4 -0.590 -4.931 5.056 1.00 0.00 H +ATOM 75 HH2 TRP A 4 -0.936 -7.366 4.758 1.00 0.00 H +ATOM 76 N GLU A 5 -3.605 -3.483 -0.868 1.00 0.00 N +ATOM 77 CA GLU A 5 -3.827 -4.420 -1.965 1.00 0.00 C +ATOM 78 C GLU A 5 -2.877 -5.623 -1.840 1.00 0.00 C +ATOM 79 O GLU A 5 -1.699 -5.459 -1.540 1.00 0.00 O +ATOM 80 CB GLU A 5 -3.773 -3.735 -3.349 1.00 0.00 C +ATOM 81 CG GLU A 5 -2.772 -2.583 -3.544 1.00 0.00 C +ATOM 82 CD GLU A 5 -1.313 -2.993 -3.355 1.00 0.00 C +ATOM 83 OE1 GLU A 5 -0.837 -3.807 -4.177 1.00 0.00 O +ATOM 84 OE2 GLU A 5 -0.690 -2.470 -2.404 1.00 0.00 O +ATOM 85 H GLU A 5 -2.646 -3.367 -0.535 1.00 0.00 H +ATOM 86 HA GLU A 5 -4.851 -4.774 -1.864 1.00 0.00 H +ATOM 87 HB2 GLU A 5 -3.599 -4.494 -4.114 1.00 0.00 H +ATOM 88 HB3 GLU A 5 -4.764 -3.322 -3.545 1.00 0.00 H +ATOM 89 HG2 GLU A 5 -2.891 -2.194 -4.556 1.00 0.00 H +ATOM 90 HG3 GLU A 5 -3.021 -1.773 -2.857 1.00 0.00 H +ATOM 91 N ASN A 6 -3.414 -6.837 -2.051 1.00 0.00 N +ATOM 92 CA ASN A 6 -2.724 -8.138 -2.114 1.00 0.00 C +ATOM 93 C ASN A 6 -1.482 -8.289 -1.190 1.00 0.00 C +ATOM 94 O ASN A 6 -0.460 -8.840 -1.599 1.00 0.00 O +ATOM 95 CB ASN A 6 -2.461 -8.467 -3.606 1.00 0.00 C +ATOM 96 CG ASN A 6 -2.340 -9.957 -3.933 1.00 0.00 C +ATOM 97 OD1 ASN A 6 -2.964 -10.455 -4.854 1.00 0.00 O +ATOM 98 ND2 ASN A 6 -1.537 -10.706 -3.209 1.00 0.00 N +ATOM 99 H ASN A 6 -4.393 -6.851 -2.286 1.00 0.00 H +ATOM 100 HA ASN A 6 -3.443 -8.878 -1.756 1.00 0.00 H +ATOM 101 HB2 ASN A 6 -3.291 -8.090 -4.204 1.00 0.00 H +ATOM 102 HB3 ASN A 6 -1.558 -7.957 -3.939 1.00 0.00 H +ATOM 103 HD21 ASN A 6 -0.962 -10.250 -2.501 1.00 0.00 H +ATOM 104 HD22 ASN A 6 -1.433 -11.668 -3.482 1.00 0.00 H +ATOM 105 N GLY A 7 -1.573 -7.858 0.076 1.00 0.00 N +ATOM 106 CA GLY A 7 -0.512 -8.042 1.076 1.00 0.00 C +ATOM 107 C GLY A 7 0.376 -6.820 1.346 1.00 0.00 C +ATOM 108 O GLY A 7 1.265 -6.923 2.192 1.00 0.00 O +ATOM 109 H GLY A 7 -2.408 -7.359 0.342 1.00 0.00 H +ATOM 110 HA2 GLY A 7 -0.962 -8.343 2.019 1.00 0.00 H +ATOM 111 HA3 GLY A 7 0.143 -8.859 0.773 1.00 0.00 H +ATOM 112 N LYS A 8 0.160 -5.679 0.672 1.00 0.00 N +ATOM 113 CA LYS A 8 0.988 -4.480 0.846 1.00 0.00 C +ATOM 114 C LYS A 8 0.145 -3.200 0.919 1.00 0.00 C +ATOM 115 O LYS A 8 -1.043 -3.201 0.593 1.00 0.00 O +ATOM 116 CB LYS A 8 2.025 -4.420 -0.297 1.00 0.00 C +ATOM 117 CG LYS A 8 3.357 -3.802 0.168 1.00 0.00 C +ATOM 118 CD LYS A 8 4.478 -3.835 -0.880 1.00 0.00 C +ATOM 119 CE LYS A 8 5.029 -5.246 -1.124 1.00 0.00 C +ATOM 120 NZ LYS A 8 4.351 -5.925 -2.242 1.00 0.00 N +ATOM 121 H LYS A 8 -0.583 -5.640 -0.026 1.00 0.00 H +ATOM 122 HA LYS A 8 1.525 -4.591 1.789 1.00 0.00 H +ATOM 123 HB2 LYS A 8 2.221 -5.433 -0.648 1.00 0.00 H +ATOM 124 HB3 LYS A 8 1.622 -3.844 -1.134 1.00 0.00 H +ATOM 125 HG2 LYS A 8 3.194 -2.761 0.439 1.00 0.00 H +ATOM 126 HG3 LYS A 8 3.704 -4.330 1.057 1.00 0.00 H +ATOM 127 HD2 LYS A 8 4.138 -3.389 -1.816 1.00 0.00 H +ATOM 128 HD3 LYS A 8 5.300 -3.227 -0.500 1.00 0.00 H +ATOM 129 HE2 LYS A 8 6.089 -5.170 -1.362 1.00 0.00 H +ATOM 130 HE3 LYS A 8 4.919 -5.839 -0.215 1.00 0.00 H +ATOM 131 HZ1 LYS A 8 4.435 -5.361 -3.075 1.00 0.00 H +ATOM 132 HZ2 LYS A 8 4.782 -6.825 -2.401 1.00 0.00 H +ATOM 133 HZ3 LYS A 8 3.375 -6.053 -2.020 1.00 0.00 H +ATOM 134 N TRP A 9 0.794 -2.097 1.304 1.00 0.00 N +ATOM 135 CA TRP A 9 0.258 -0.742 1.196 1.00 0.00 C +ATOM 136 C TRP A 9 0.810 -0.093 -0.078 1.00 0.00 C +ATOM 137 O TRP A 9 1.992 -0.251 -0.387 1.00 0.00 O +ATOM 138 CB TRP A 9 0.625 0.117 2.422 1.00 0.00 C +ATOM 139 CG TRP A 9 -0.028 -0.276 3.711 1.00 0.00 C +ATOM 140 CD1 TRP A 9 0.555 -0.960 4.720 1.00 0.00 C +ATOM 141 CD2 TRP A 9 -1.390 0.001 4.153 1.00 0.00 C +ATOM 142 NE1 TRP A 9 -0.347 -1.110 5.759 1.00 0.00 N +ATOM 143 CE2 TRP A 9 -1.570 -0.550 5.455 1.00 0.00 C +ATOM 144 CE3 TRP A 9 -2.492 0.660 3.575 1.00 0.00 C +ATOM 145 CZ2 TRP A 9 -2.788 -0.450 6.151 1.00 0.00 C +ATOM 146 CZ3 TRP A 9 -3.716 0.767 4.258 1.00 0.00 C +ATOM 147 CH2 TRP A 9 -3.866 0.220 5.545 1.00 0.00 C +ATOM 148 H TRP A 9 1.784 -2.173 1.468 1.00 0.00 H +ATOM 149 HA TRP A 9 -0.826 -0.798 1.139 1.00 0.00 H +ATOM 150 HB2 TRP A 9 1.708 0.150 2.563 1.00 0.00 H +ATOM 151 HB3 TRP A 9 0.312 1.141 2.214 1.00 0.00 H +ATOM 152 HD1 TRP A 9 1.578 -1.311 4.711 1.00 0.00 H +ATOM 153 HE1 TRP A 9 -0.116 -1.552 6.637 1.00 0.00 H +ATOM 154 HE3 TRP A 9 -2.374 1.079 2.592 1.00 0.00 H +ATOM 155 HZ2 TRP A 9 -2.895 -0.879 7.137 1.00 0.00 H +ATOM 156 HZ3 TRP A 9 -4.550 1.262 3.780 1.00 0.00 H +ATOM 157 HH2 TRP A 9 -4.811 0.314 6.064 1.00 0.00 H +ATOM 158 N THR A 10 -0.003 0.726 -0.750 1.00 0.00 N +ATOM 159 CA THR A 10 0.396 1.600 -1.867 1.00 0.00 C +ATOM 160 C THR A 10 -0.077 3.030 -1.602 1.00 0.00 C +ATOM 161 O THR A 10 -1.112 3.219 -0.966 1.00 0.00 O +ATOM 162 CB THR A 10 -0.139 1.073 -3.205 1.00 0.00 C +ATOM 163 OG1 THR A 10 0.375 1.895 -4.224 1.00 0.00 O +ATOM 164 CG2 THR A 10 -1.666 1.060 -3.328 1.00 0.00 C +ATOM 165 H THR A 10 -0.979 0.750 -0.453 1.00 0.00 H +ATOM 166 HA THR A 10 1.483 1.619 -1.940 1.00 0.00 H +ATOM 167 HB THR A 10 0.232 0.059 -3.358 1.00 0.00 H +ATOM 168 HG1 THR A 10 -0.124 1.730 -5.026 1.00 0.00 H +ATOM 169 HG21 THR A 10 -2.093 0.446 -2.535 1.00 0.00 H +ATOM 170 HG22 THR A 10 -2.067 2.071 -3.256 1.00 0.00 H +ATOM 171 HG23 THR A 10 -1.954 0.630 -4.288 1.00 0.00 H +ATOM 172 N TRP A 11 0.728 4.038 -1.956 1.00 0.00 N +ATOM 173 CA TRP A 11 0.378 5.451 -1.776 1.00 0.00 C +ATOM 174 C TRP A 11 -0.503 5.965 -2.922 1.00 0.00 C +ATOM 175 O TRP A 11 -0.335 5.535 -4.065 1.00 0.00 O +ATOM 176 CB TRP A 11 1.681 6.268 -1.667 1.00 0.00 C +ATOM 177 CG TRP A 11 1.556 7.754 -1.511 1.00 0.00 C +ATOM 178 CD1 TRP A 11 1.782 8.679 -2.475 1.00 0.00 C +ATOM 179 CD2 TRP A 11 1.233 8.509 -0.308 1.00 0.00 C +ATOM 180 NE1 TRP A 11 1.630 9.948 -1.944 1.00 0.00 N +ATOM 181 CE2 TRP A 11 1.292 9.902 -0.608 1.00 0.00 C +ATOM 182 CE3 TRP A 11 0.902 8.147 1.012 1.00 0.00 C +ATOM 183 CZ2 TRP A 11 1.049 10.889 0.362 1.00 0.00 C +ATOM 184 CZ3 TRP A 11 0.656 9.123 1.993 1.00 0.00 C +ATOM 185 CH2 TRP A 11 0.727 10.492 1.672 1.00 0.00 C +ATOM 186 H TRP A 11 1.543 3.818 -2.508 1.00 0.00 H +ATOM 187 HA TRP A 11 -0.201 5.529 -0.859 1.00 0.00 H +ATOM 188 HB2 TRP A 11 2.246 5.896 -0.811 1.00 0.00 H +ATOM 189 HB3 TRP A 11 2.291 6.083 -2.550 1.00 0.00 H +ATOM 190 HD1 TRP A 11 2.074 8.452 -3.493 1.00 0.00 H +ATOM 191 HE1 TRP A 11 1.792 10.797 -2.464 1.00 0.00 H +ATOM 192 HE3 TRP A 11 0.827 7.100 1.253 1.00 0.00 H +ATOM 193 HZ2 TRP A 11 1.123 11.936 0.109 1.00 0.00 H +ATOM 194 HZ3 TRP A 11 0.403 8.814 2.995 1.00 0.00 H +ATOM 195 HH2 TRP A 11 0.535 11.234 2.434 1.00 0.00 H +ATOM 196 N LYS A 12 -1.376 6.948 -2.645 1.00 0.00 N +ATOM 197 CA LYS A 12 -2.271 7.561 -3.644 1.00 0.00 C +ATOM 198 C LYS A 12 -2.336 9.083 -3.498 1.00 0.00 C +ATOM 199 O LYS A 12 -2.635 9.607 -2.427 1.00 0.00 O +ATOM 200 CB LYS A 12 -3.690 6.970 -3.557 1.00 0.00 C +ATOM 201 CG LYS A 12 -3.740 5.474 -3.906 1.00 0.00 C +ATOM 202 CD LYS A 12 -5.188 5.020 -4.113 1.00 0.00 C +ATOM 203 CE LYS A 12 -5.239 3.545 -4.513 1.00 0.00 C +ATOM 204 NZ LYS A 12 -6.632 3.080 -4.611 1.00 0.00 N +ATOM 205 H LYS A 12 -1.426 7.293 -1.691 1.00 0.00 H +ATOM 206 HA LYS A 12 -1.883 7.338 -4.639 1.00 0.00 H +ATOM 207 HB2 LYS A 12 -4.103 7.129 -2.560 1.00 0.00 H +ATOM 208 HB3 LYS A 12 -4.317 7.507 -4.270 1.00 0.00 H +ATOM 209 HG2 LYS A 12 -3.183 5.302 -4.827 1.00 0.00 H +ATOM 210 HG3 LYS A 12 -3.287 4.892 -3.101 1.00 0.00 H +ATOM 211 HD2 LYS A 12 -5.754 5.170 -3.193 1.00 0.00 H +ATOM 212 HD3 LYS A 12 -5.643 5.610 -4.909 1.00 0.00 H +ATOM 213 HE2 LYS A 12 -4.751 3.421 -5.480 1.00 0.00 H +ATOM 214 HE3 LYS A 12 -4.713 2.947 -3.769 1.00 0.00 H +ATOM 215 HZ1 LYS A 12 -6.650 2.123 -4.932 1.00 0.00 H +ATOM 216 HZ2 LYS A 12 -7.065 3.139 -3.700 1.00 0.00 H +ATOM 217 HZ3 LYS A 12 -7.136 3.666 -5.262 1.00 0.00 H +TER 218 LYS A 12 +HETATM 219 N NH2 A 13 -2.105 9.817 -4.577 1.00 0.00 N +HETATM 220 HN1 NH2 A 13 -1.872 9.394 -5.461 1.00 0.00 H +HETATM 221 HN2 NH2 A 13 -2.200 10.814 -4.473 1.00 0.00 H +ENDMDL +MODEL 9 +ATOM 1 N SER A 1 -3.041 9.412 1.730 1.00 0.00 N +ATOM 2 CA SER A 1 -3.790 8.216 2.150 1.00 0.00 C +ATOM 3 C SER A 1 -3.280 6.951 1.464 1.00 0.00 C +ATOM 4 O SER A 1 -3.497 6.729 0.267 1.00 0.00 O +ATOM 5 CB SER A 1 -5.302 8.410 1.987 1.00 0.00 C +ATOM 6 OG SER A 1 -5.688 8.427 0.627 1.00 0.00 O +ATOM 7 HA SER A 1 -3.606 8.089 3.215 1.00 0.00 H +ATOM 8 HB2 SER A 1 -5.822 7.606 2.509 1.00 0.00 H +ATOM 9 HB3 SER A 1 -5.587 9.356 2.448 1.00 0.00 H +ATOM 10 HG SER A 1 -5.162 7.764 0.156 1.00 0.00 H +ATOM 11 H1 SER A 1 -3.681 10.102 1.364 1.00 0.00 H +ATOM 12 H2 SER A 1 -2.361 9.168 1.023 1.00 0.00 H +ATOM 13 H3 SER A 1 -2.563 9.794 2.534 1.00 0.00 H +ATOM 14 N TRP A 2 -2.554 6.137 2.236 1.00 0.00 N +ATOM 15 CA TRP A 2 -2.192 4.777 1.856 1.00 0.00 C +ATOM 16 C TRP A 2 -3.435 3.906 1.603 1.00 0.00 C +ATOM 17 O TRP A 2 -4.509 4.142 2.151 1.00 0.00 O +ATOM 18 CB TRP A 2 -1.294 4.162 2.946 1.00 0.00 C +ATOM 19 CG TRP A 2 0.097 4.723 3.073 1.00 0.00 C +ATOM 20 CD1 TRP A 2 0.511 5.648 3.973 1.00 0.00 C +ATOM 21 CD2 TRP A 2 1.290 4.351 2.315 1.00 0.00 C +ATOM 22 NE1 TRP A 2 1.862 5.892 3.801 1.00 0.00 N +ATOM 23 CE2 TRP A 2 2.404 5.085 2.821 1.00 0.00 C +ATOM 24 CE3 TRP A 2 1.551 3.442 1.266 1.00 0.00 C +ATOM 25 CZ2 TRP A 2 3.709 4.908 2.326 1.00 0.00 C +ATOM 26 CZ3 TRP A 2 2.849 3.249 0.764 1.00 0.00 C +ATOM 27 CH2 TRP A 2 3.930 3.973 1.297 1.00 0.00 C +ATOM 28 H TRP A 2 -2.390 6.408 3.192 1.00 0.00 H +ATOM 29 HA TRP A 2 -1.665 4.811 0.911 1.00 0.00 H +ATOM 30 HB2 TRP A 2 -1.801 4.249 3.909 1.00 0.00 H +ATOM 31 HB3 TRP A 2 -1.189 3.096 2.744 1.00 0.00 H +ATOM 32 HD1 TRP A 2 -0.119 6.123 4.715 1.00 0.00 H +ATOM 33 HE1 TRP A 2 2.386 6.564 4.345 1.00 0.00 H +ATOM 34 HE3 TRP A 2 0.751 2.855 0.865 1.00 0.00 H +ATOM 35 HZ2 TRP A 2 4.534 5.477 2.724 1.00 0.00 H +ATOM 36 HZ3 TRP A 2 3.017 2.528 -0.023 1.00 0.00 H +ATOM 37 HH2 TRP A 2 4.925 3.803 0.911 1.00 0.00 H +ATOM 38 N THR A 3 -3.260 2.874 0.776 1.00 0.00 N +ATOM 39 CA THR A 3 -4.282 1.949 0.280 1.00 0.00 C +ATOM 40 C THR A 3 -3.692 0.543 0.241 1.00 0.00 C +ATOM 41 O THR A 3 -2.629 0.343 -0.344 1.00 0.00 O +ATOM 42 CB THR A 3 -4.726 2.403 -1.120 1.00 0.00 C +ATOM 43 OG1 THR A 3 -5.551 3.531 -0.965 1.00 0.00 O +ATOM 44 CG2 THR A 3 -5.504 1.371 -1.941 1.00 0.00 C +ATOM 45 H THR A 3 -2.336 2.787 0.353 1.00 0.00 H +ATOM 46 HA THR A 3 -5.143 1.957 0.949 1.00 0.00 H +ATOM 47 HB THR A 3 -3.846 2.692 -1.696 1.00 0.00 H +ATOM 48 HG1 THR A 3 -4.995 4.266 -0.689 1.00 0.00 H +ATOM 49 HG21 THR A 3 -6.370 1.010 -1.386 1.00 0.00 H +ATOM 50 HG22 THR A 3 -5.842 1.839 -2.866 1.00 0.00 H +ATOM 51 HG23 THR A 3 -4.857 0.534 -2.202 1.00 0.00 H +ATOM 52 N TRP A 4 -4.319 -0.422 0.918 1.00 0.00 N +ATOM 53 CA TRP A 4 -3.841 -1.806 0.915 1.00 0.00 C +ATOM 54 C TRP A 4 -4.036 -2.496 -0.442 1.00 0.00 C +ATOM 55 O TRP A 4 -5.084 -2.397 -1.086 1.00 0.00 O +ATOM 56 CB TRP A 4 -4.506 -2.582 2.050 1.00 0.00 C +ATOM 57 CG TRP A 4 -4.216 -4.053 2.118 1.00 0.00 C +ATOM 58 CD1 TRP A 4 -5.022 -5.020 1.628 1.00 0.00 C +ATOM 59 CD2 TRP A 4 -3.131 -4.753 2.802 1.00 0.00 C +ATOM 60 NE1 TRP A 4 -4.571 -6.256 2.050 1.00 0.00 N +ATOM 61 CE2 TRP A 4 -3.433 -6.143 2.820 1.00 0.00 C +ATOM 62 CE3 TRP A 4 -1.945 -4.359 3.450 1.00 0.00 C +ATOM 63 CZ2 TRP A 4 -2.659 -7.070 3.533 1.00 0.00 C +ATOM 64 CZ3 TRP A 4 -1.164 -5.265 4.188 1.00 0.00 C +ATOM 65 CH2 TRP A 4 -1.536 -6.620 4.251 1.00 0.00 C +ATOM 66 H TRP A 4 -5.149 -0.204 1.448 1.00 0.00 H +ATOM 67 HA TRP A 4 -2.772 -1.791 1.113 1.00 0.00 H +ATOM 68 HB2 TRP A 4 -4.188 -2.139 2.995 1.00 0.00 H +ATOM 69 HB3 TRP A 4 -5.587 -2.452 1.985 1.00 0.00 H +ATOM 70 HD1 TRP A 4 -5.942 -4.828 1.088 1.00 0.00 H +ATOM 71 HE1 TRP A 4 -5.106 -7.104 1.944 1.00 0.00 H +ATOM 72 HE3 TRP A 4 -1.642 -3.342 3.335 1.00 0.00 H +ATOM 73 HZ2 TRP A 4 -2.935 -8.113 3.545 1.00 0.00 H +ATOM 74 HZ3 TRP A 4 -0.279 -4.921 4.706 1.00 0.00 H +ATOM 75 HH2 TRP A 4 -0.943 -7.312 4.833 1.00 0.00 H +ATOM 76 N GLU A 5 -3.018 -3.257 -0.843 1.00 0.00 N +ATOM 77 CA GLU A 5 -2.951 -4.001 -2.085 1.00 0.00 C +ATOM 78 C GLU A 5 -2.317 -5.358 -1.764 1.00 0.00 C +ATOM 79 O GLU A 5 -1.098 -5.469 -1.651 1.00 0.00 O +ATOM 80 CB GLU A 5 -2.183 -3.202 -3.157 1.00 0.00 C +ATOM 81 CG GLU A 5 -2.238 -3.840 -4.563 1.00 0.00 C +ATOM 82 CD GLU A 5 -1.150 -4.879 -4.861 1.00 0.00 C +ATOM 83 OE1 GLU A 5 0.025 -4.613 -4.524 1.00 0.00 O +ATOM 84 OE2 GLU A 5 -1.509 -5.913 -5.470 1.00 0.00 O +ATOM 85 H GLU A 5 -2.229 -3.365 -0.207 1.00 0.00 H +ATOM 86 HA GLU A 5 -3.976 -4.122 -2.436 1.00 0.00 H +ATOM 87 HB2 GLU A 5 -2.652 -2.220 -3.234 1.00 0.00 H +ATOM 88 HB3 GLU A 5 -1.150 -3.042 -2.847 1.00 0.00 H +ATOM 89 HG2 GLU A 5 -3.220 -4.296 -4.710 1.00 0.00 H +ATOM 90 HG3 GLU A 5 -2.138 -3.044 -5.303 1.00 0.00 H +ATOM 91 N ASN A 6 -3.170 -6.365 -1.538 1.00 0.00 N +ATOM 92 CA ASN A 6 -2.854 -7.790 -1.404 1.00 0.00 C +ATOM 93 C ASN A 6 -1.500 -8.090 -0.718 1.00 0.00 C +ATOM 94 O ASN A 6 -0.571 -8.599 -1.342 1.00 0.00 O +ATOM 95 CB ASN A 6 -3.002 -8.451 -2.794 1.00 0.00 C +ATOM 96 CG ASN A 6 -4.383 -8.271 -3.418 1.00 0.00 C +ATOM 97 OD1 ASN A 6 -5.365 -7.966 -2.758 1.00 0.00 O +ATOM 98 ND2 ASN A 6 -4.505 -8.449 -4.719 1.00 0.00 N +ATOM 99 H ASN A 6 -4.155 -6.140 -1.549 1.00 0.00 H +ATOM 100 HA ASN A 6 -3.617 -8.229 -0.762 1.00 0.00 H +ATOM 101 HB2 ASN A 6 -2.256 -8.027 -3.466 1.00 0.00 H +ATOM 102 HB3 ASN A 6 -2.812 -9.520 -2.702 1.00 0.00 H +ATOM 103 HD21 ASN A 6 -3.726 -8.688 -5.309 1.00 0.00 H +ATOM 104 HD22 ASN A 6 -5.435 -8.304 -5.072 1.00 0.00 H +ATOM 105 N GLY A 7 -1.403 -7.804 0.589 1.00 0.00 N +ATOM 106 CA GLY A 7 -0.223 -8.083 1.419 1.00 0.00 C +ATOM 107 C GLY A 7 0.679 -6.872 1.679 1.00 0.00 C +ATOM 108 O GLY A 7 1.523 -6.933 2.573 1.00 0.00 O +ATOM 109 H GLY A 7 -2.185 -7.348 1.043 1.00 0.00 H +ATOM 110 HA2 GLY A 7 -0.545 -8.484 2.379 1.00 0.00 H +ATOM 111 HA3 GLY A 7 0.389 -8.848 0.941 1.00 0.00 H +ATOM 112 N LYS A 8 0.498 -5.782 0.921 1.00 0.00 N +ATOM 113 CA LYS A 8 1.298 -4.554 0.968 1.00 0.00 C +ATOM 114 C LYS A 8 0.395 -3.311 0.944 1.00 0.00 C +ATOM 115 O LYS A 8 -0.827 -3.401 0.860 1.00 0.00 O +ATOM 116 CB LYS A 8 2.267 -4.561 -0.236 1.00 0.00 C +ATOM 117 CG LYS A 8 3.636 -3.919 0.059 1.00 0.00 C +ATOM 118 CD LYS A 8 4.834 -4.885 0.125 1.00 0.00 C +ATOM 119 CE LYS A 8 4.834 -5.866 1.308 1.00 0.00 C +ATOM 120 NZ LYS A 8 4.088 -7.112 1.050 1.00 0.00 N +ATOM 121 H LYS A 8 -0.209 -5.827 0.191 1.00 0.00 H +ATOM 122 HA LYS A 8 1.865 -4.540 1.902 1.00 0.00 H +ATOM 123 HB2 LYS A 8 2.416 -5.578 -0.601 1.00 0.00 H +ATOM 124 HB3 LYS A 8 1.793 -4.010 -1.051 1.00 0.00 H +ATOM 125 HG2 LYS A 8 3.841 -3.210 -0.745 1.00 0.00 H +ATOM 126 HG3 LYS A 8 3.596 -3.345 0.984 1.00 0.00 H +ATOM 127 HD2 LYS A 8 4.933 -5.429 -0.816 1.00 0.00 H +ATOM 128 HD3 LYS A 8 5.725 -4.267 0.234 1.00 0.00 H +ATOM 129 HE2 LYS A 8 5.867 -6.141 1.520 1.00 0.00 H +ATOM 130 HE3 LYS A 8 4.422 -5.372 2.188 1.00 0.00 H +ATOM 131 HZ1 LYS A 8 3.355 -7.211 1.741 1.00 0.00 H +ATOM 132 HZ2 LYS A 8 3.680 -7.093 0.127 1.00 0.00 H +ATOM 133 HZ3 LYS A 8 4.715 -7.901 1.125 1.00 0.00 H +ATOM 134 N TRP A 9 1.008 -2.130 0.969 1.00 0.00 N +ATOM 135 CA TRP A 9 0.353 -0.826 0.878 1.00 0.00 C +ATOM 136 C TRP A 9 0.884 -0.063 -0.348 1.00 0.00 C +ATOM 137 O TRP A 9 2.066 -0.173 -0.672 1.00 0.00 O +ATOM 138 CB TRP A 9 0.657 -0.044 2.170 1.00 0.00 C +ATOM 139 CG TRP A 9 0.040 -0.515 3.457 1.00 0.00 C +ATOM 140 CD1 TRP A 9 0.699 -1.173 4.435 1.00 0.00 C +ATOM 141 CD2 TRP A 9 -1.302 -0.270 3.983 1.00 0.00 C +ATOM 142 NE1 TRP A 9 -0.116 -1.295 5.539 1.00 0.00 N +ATOM 143 CE2 TRP A 9 -1.360 -0.751 5.319 1.00 0.00 C +ATOM 144 CE3 TRP A 9 -2.463 0.359 3.488 1.00 0.00 C +ATOM 145 CZ2 TRP A 9 -2.504 -0.628 6.120 1.00 0.00 C +ATOM 146 CZ3 TRP A 9 -3.630 0.468 4.268 1.00 0.00 C +ATOM 147 CH2 TRP A 9 -3.657 -0.038 5.578 1.00 0.00 C +ATOM 148 H TRP A 9 2.015 -2.125 0.982 1.00 0.00 H +ATOM 149 HA TRP A 9 -0.726 -0.943 0.778 1.00 0.00 H +ATOM 150 HB2 TRP A 9 1.740 -0.002 2.319 1.00 0.00 H +ATOM 151 HB3 TRP A 9 0.333 0.984 2.038 1.00 0.00 H +ATOM 152 HD1 TRP A 9 1.729 -1.503 4.380 1.00 0.00 H +ATOM 153 HE1 TRP A 9 0.184 -1.702 6.415 1.00 0.00 H +ATOM 154 HE3 TRP A 9 -2.437 0.754 2.489 1.00 0.00 H +ATOM 155 HZ2 TRP A 9 -2.496 -0.999 7.135 1.00 0.00 H +ATOM 156 HZ3 TRP A 9 -4.517 0.932 3.858 1.00 0.00 H +ATOM 157 HH2 TRP A 9 -4.562 0.024 6.166 1.00 0.00 H +ATOM 158 N THR A 10 0.049 0.788 -0.958 1.00 0.00 N +ATOM 159 CA THR A 10 0.408 1.773 -1.998 1.00 0.00 C +ATOM 160 C THR A 10 -0.177 3.147 -1.648 1.00 0.00 C +ATOM 161 O THR A 10 -1.052 3.256 -0.789 1.00 0.00 O +ATOM 162 CB THR A 10 -0.020 1.312 -3.403 1.00 0.00 C +ATOM 163 OG1 THR A 10 0.541 2.205 -4.343 1.00 0.00 O +ATOM 164 CG2 THR A 10 -1.536 1.239 -3.627 1.00 0.00 C +ATOM 165 H THR A 10 -0.911 0.829 -0.620 1.00 0.00 H +ATOM 166 HA THR A 10 1.493 1.889 -2.024 1.00 0.00 H +ATOM 167 HB THR A 10 0.398 0.322 -3.583 1.00 0.00 H +ATOM 168 HG1 THR A 10 -0.137 2.463 -4.973 1.00 0.00 H +ATOM 169 HG21 THR A 10 -2.007 0.710 -2.799 1.00 0.00 H +ATOM 170 HG22 THR A 10 -1.974 2.236 -3.703 1.00 0.00 H +ATOM 171 HG23 THR A 10 -1.746 0.681 -4.540 1.00 0.00 H +ATOM 172 N TRP A 11 0.353 4.219 -2.238 1.00 0.00 N +ATOM 173 CA TRP A 11 -0.032 5.596 -1.917 1.00 0.00 C +ATOM 174 C TRP A 11 -1.003 6.198 -2.942 1.00 0.00 C +ATOM 175 O TRP A 11 -0.841 6.028 -4.151 1.00 0.00 O +ATOM 176 CB TRP A 11 1.236 6.452 -1.786 1.00 0.00 C +ATOM 177 CG TRP A 11 1.037 7.886 -1.391 1.00 0.00 C +ATOM 178 CD1 TRP A 11 1.077 8.927 -2.251 1.00 0.00 C +ATOM 179 CD2 TRP A 11 0.742 8.463 -0.079 1.00 0.00 C +ATOM 180 NE1 TRP A 11 0.954 10.111 -1.549 1.00 0.00 N +ATOM 181 CE2 TRP A 11 0.719 9.883 -0.210 1.00 0.00 C +ATOM 182 CE3 TRP A 11 0.454 7.937 1.199 1.00 0.00 C +ATOM 183 CZ2 TRP A 11 0.461 10.739 0.873 1.00 0.00 C +ATOM 184 CZ3 TRP A 11 0.125 8.783 2.278 1.00 0.00 C +ATOM 185 CH2 TRP A 11 0.134 10.179 2.118 1.00 0.00 C +ATOM 186 H TRP A 11 1.012 4.051 -2.989 1.00 0.00 H +ATOM 187 HA TRP A 11 -0.526 5.610 -0.947 1.00 0.00 H +ATOM 188 HB2 TRP A 11 1.892 5.989 -1.048 1.00 0.00 H +ATOM 189 HB3 TRP A 11 1.773 6.446 -2.734 1.00 0.00 H +ATOM 190 HD1 TRP A 11 1.220 8.836 -3.320 1.00 0.00 H +ATOM 191 HE1 TRP A 11 0.998 11.023 -1.979 1.00 0.00 H +ATOM 192 HE3 TRP A 11 0.463 6.867 1.335 1.00 0.00 H +ATOM 193 HZ2 TRP A 11 0.478 11.811 0.737 1.00 0.00 H +ATOM 194 HZ3 TRP A 11 -0.144 8.358 3.233 1.00 0.00 H +ATOM 195 HH2 TRP A 11 -0.131 10.822 2.947 1.00 0.00 H +ATOM 196 N LYS A 12 -1.957 6.983 -2.429 1.00 0.00 N +ATOM 197 CA LYS A 12 -2.868 7.865 -3.164 1.00 0.00 C +ATOM 198 C LYS A 12 -2.822 9.256 -2.522 1.00 0.00 C +ATOM 199 O LYS A 12 -2.473 9.420 -1.356 1.00 0.00 O +ATOM 200 CB LYS A 12 -4.304 7.299 -3.142 1.00 0.00 C +ATOM 201 CG LYS A 12 -4.537 6.186 -4.176 1.00 0.00 C +ATOM 202 CD LYS A 12 -5.822 5.384 -3.919 1.00 0.00 C +ATOM 203 CE LYS A 12 -7.112 6.175 -4.161 1.00 0.00 C +ATOM 204 NZ LYS A 12 -8.193 5.306 -4.664 1.00 0.00 N +ATOM 205 H LYS A 12 -2.013 7.070 -1.420 1.00 0.00 H +ATOM 206 HA LYS A 12 -2.530 7.961 -4.198 1.00 0.00 H +ATOM 207 HB2 LYS A 12 -4.520 6.921 -2.143 1.00 0.00 H +ATOM 208 HB3 LYS A 12 -5.010 8.103 -3.353 1.00 0.00 H +ATOM 209 HG2 LYS A 12 -4.582 6.625 -5.175 1.00 0.00 H +ATOM 210 HG3 LYS A 12 -3.700 5.488 -4.150 1.00 0.00 H +ATOM 211 HD2 LYS A 12 -5.809 4.508 -4.569 1.00 0.00 H +ATOM 212 HD3 LYS A 12 -5.827 5.040 -2.890 1.00 0.00 H +ATOM 213 HE2 LYS A 12 -7.430 6.638 -3.225 1.00 0.00 H +ATOM 214 HE3 LYS A 12 -6.920 6.957 -4.894 1.00 0.00 H +ATOM 215 HZ1 LYS A 12 -8.621 5.739 -5.470 1.00 0.00 H +ATOM 216 HZ2 LYS A 12 -7.807 4.413 -4.935 1.00 0.00 H +ATOM 217 HZ3 LYS A 12 -8.889 5.166 -3.946 1.00 0.00 H +TER 218 LYS A 12 +HETATM 219 N NH2 A 13 -3.206 10.272 -3.280 1.00 0.00 N +HETATM 220 HN1 NH2 A 13 -3.513 10.104 -4.223 1.00 0.00 H +HETATM 221 HN2 NH2 A 13 -3.169 11.199 -2.885 1.00 0.00 H +ENDMDL +MODEL 10 +ATOM 1 N SER A 1 -4.764 7.974 1.674 1.00 0.00 N +ATOM 2 CA SER A 1 -3.472 8.065 0.965 1.00 0.00 C +ATOM 3 C SER A 1 -2.888 6.677 0.739 1.00 0.00 C +ATOM 4 O SER A 1 -2.753 6.245 -0.408 1.00 0.00 O +ATOM 5 CB SER A 1 -2.479 8.953 1.722 1.00 0.00 C +ATOM 6 OG SER A 1 -2.389 10.210 1.096 1.00 0.00 O +ATOM 7 HA SER A 1 -3.653 8.501 -0.016 1.00 0.00 H +ATOM 8 HB2 SER A 1 -2.802 9.083 2.756 1.00 0.00 H +ATOM 9 HB3 SER A 1 -1.493 8.491 1.724 1.00 0.00 H +ATOM 10 HG SER A 1 -1.635 10.196 0.496 1.00 0.00 H +ATOM 11 H1 SER A 1 -5.309 8.807 1.501 1.00 0.00 H +ATOM 12 H2 SER A 1 -4.602 7.880 2.666 1.00 0.00 H +ATOM 13 H3 SER A 1 -5.272 7.163 1.348 1.00 0.00 H +ATOM 14 N TRP A 2 -2.535 5.988 1.828 1.00 0.00 N +ATOM 15 CA TRP A 2 -2.169 4.579 1.807 1.00 0.00 C +ATOM 16 C TRP A 2 -3.415 3.690 1.608 1.00 0.00 C +ATOM 17 O TRP A 2 -4.439 3.897 2.256 1.00 0.00 O +ATOM 18 CB TRP A 2 -1.415 4.240 3.099 1.00 0.00 C +ATOM 19 CG TRP A 2 -0.023 4.803 3.199 1.00 0.00 C +ATOM 20 CD1 TRP A 2 0.359 5.846 3.975 1.00 0.00 C +ATOM 21 CD2 TRP A 2 1.203 4.316 2.561 1.00 0.00 C +ATOM 22 NE1 TRP A 2 1.728 6.017 3.881 1.00 0.00 N +ATOM 23 CE2 TRP A 2 2.305 5.070 3.064 1.00 0.00 C +ATOM 24 CE3 TRP A 2 1.504 3.301 1.629 1.00 0.00 C +ATOM 25 CZ2 TRP A 2 3.633 4.797 2.706 1.00 0.00 C +ATOM 26 CZ3 TRP A 2 2.836 3.002 1.275 1.00 0.00 C +ATOM 27 CH2 TRP A 2 3.901 3.740 1.820 1.00 0.00 C +ATOM 28 H TRP A 2 -2.664 6.399 2.740 1.00 0.00 H +ATOM 29 HA TRP A 2 -1.490 4.423 0.978 1.00 0.00 H +ATOM 30 HB2 TRP A 2 -2.001 4.575 3.957 1.00 0.00 H +ATOM 31 HB3 TRP A 2 -1.331 3.156 3.179 1.00 0.00 H +ATOM 32 HD1 TRP A 2 -0.296 6.443 4.594 1.00 0.00 H +ATOM 33 HE1 TRP A 2 2.243 6.743 4.359 1.00 0.00 H +ATOM 34 HE3 TRP A 2 0.693 2.739 1.198 1.00 0.00 H +ATOM 35 HZ2 TRP A 2 4.441 5.381 3.122 1.00 0.00 H +ATOM 36 HZ3 TRP A 2 3.049 2.205 0.577 1.00 0.00 H +ATOM 37 HH2 TRP A 2 4.919 3.499 1.549 1.00 0.00 H +ATOM 38 N THR A 3 -3.315 2.693 0.722 1.00 0.00 N +ATOM 39 CA THR A 3 -4.360 1.710 0.370 1.00 0.00 C +ATOM 40 C THR A 3 -3.807 0.284 0.482 1.00 0.00 C +ATOM 41 O THR A 3 -2.645 0.061 0.149 1.00 0.00 O +ATOM 42 CB THR A 3 -4.877 1.940 -1.063 1.00 0.00 C +ATOM 43 OG1 THR A 3 -3.833 1.988 -2.012 1.00 0.00 O +ATOM 44 CG2 THR A 3 -5.640 3.258 -1.211 1.00 0.00 C +ATOM 45 H THR A 3 -2.459 2.652 0.174 1.00 0.00 H +ATOM 46 HA THR A 3 -5.204 1.803 1.055 1.00 0.00 H +ATOM 47 HB THR A 3 -5.553 1.124 -1.321 1.00 0.00 H +ATOM 48 HG1 THR A 3 -3.170 1.293 -1.852 1.00 0.00 H +ATOM 49 HG21 THR A 3 -6.451 3.308 -0.484 1.00 0.00 H +ATOM 50 HG22 THR A 3 -4.963 4.100 -1.059 1.00 0.00 H +ATOM 51 HG23 THR A 3 -6.061 3.318 -2.215 1.00 0.00 H +ATOM 52 N TRP A 4 -4.588 -0.673 1.001 1.00 0.00 N +ATOM 53 CA TRP A 4 -4.152 -2.069 1.114 1.00 0.00 C +ATOM 54 C TRP A 4 -4.277 -2.824 -0.219 1.00 0.00 C +ATOM 55 O TRP A 4 -5.361 -2.933 -0.793 1.00 0.00 O +ATOM 56 CB TRP A 4 -4.912 -2.754 2.266 1.00 0.00 C +ATOM 57 CG TRP A 4 -4.604 -4.205 2.516 1.00 0.00 C +ATOM 58 CD1 TRP A 4 -5.329 -5.249 2.050 1.00 0.00 C +ATOM 59 CD2 TRP A 4 -3.532 -4.799 3.313 1.00 0.00 C +ATOM 60 NE1 TRP A 4 -4.773 -6.436 2.486 1.00 0.00 N +ATOM 61 CE2 TRP A 4 -3.638 -6.218 3.234 1.00 0.00 C +ATOM 62 CE3 TRP A 4 -2.473 -4.290 4.094 1.00 0.00 C +ATOM 63 CZ2 TRP A 4 -2.723 -7.080 3.857 1.00 0.00 C +ATOM 64 CZ3 TRP A 4 -1.554 -5.139 4.736 1.00 0.00 C +ATOM 65 CH2 TRP A 4 -1.672 -6.533 4.609 1.00 0.00 C +ATOM 66 H TRP A 4 -5.526 -0.449 1.295 1.00 0.00 H +ATOM 67 HA TRP A 4 -3.092 -2.058 1.349 1.00 0.00 H +ATOM 68 HB2 TRP A 4 -4.691 -2.210 3.185 1.00 0.00 H +ATOM 69 HB3 TRP A 4 -5.984 -2.662 2.082 1.00 0.00 H +ATOM 70 HD1 TRP A 4 -6.213 -5.155 1.431 1.00 0.00 H +ATOM 71 HE1 TRP A 4 -5.175 -7.344 2.302 1.00 0.00 H +ATOM 72 HE3 TRP A 4 -2.375 -3.225 4.193 1.00 0.00 H +ATOM 73 HZ2 TRP A 4 -2.842 -8.151 3.783 1.00 0.00 H +ATOM 74 HZ3 TRP A 4 -0.754 -4.721 5.331 1.00 0.00 H +ATOM 75 HH2 TRP A 4 -0.959 -7.179 5.103 1.00 0.00 H +ATOM 76 N GLU A 5 -3.154 -3.369 -0.698 1.00 0.00 N +ATOM 77 CA GLU A 5 -3.039 -4.068 -1.974 1.00 0.00 C +ATOM 78 C GLU A 5 -2.147 -5.308 -1.790 1.00 0.00 C +ATOM 79 O GLU A 5 -1.012 -5.164 -1.349 1.00 0.00 O +ATOM 80 CB GLU A 5 -2.465 -3.100 -3.031 1.00 0.00 C +ATOM 81 CG GLU A 5 -2.244 -3.722 -4.422 1.00 0.00 C +ATOM 82 CD GLU A 5 -3.485 -4.428 -4.970 1.00 0.00 C +ATOM 83 OE1 GLU A 5 -4.346 -3.721 -5.536 1.00 0.00 O +ATOM 84 OE2 GLU A 5 -3.555 -5.666 -4.815 1.00 0.00 O +ATOM 85 H GLU A 5 -2.299 -3.288 -0.145 1.00 0.00 H +ATOM 86 HA GLU A 5 -4.044 -4.352 -2.280 1.00 0.00 H +ATOM 87 HB2 GLU A 5 -3.144 -2.252 -3.138 1.00 0.00 H +ATOM 88 HB3 GLU A 5 -1.508 -2.714 -2.679 1.00 0.00 H +ATOM 89 HG2 GLU A 5 -1.961 -2.926 -5.115 1.00 0.00 H +ATOM 90 HG3 GLU A 5 -1.413 -4.428 -4.377 1.00 0.00 H +ATOM 91 N ASN A 6 -2.647 -6.514 -2.103 1.00 0.00 N +ATOM 92 CA ASN A 6 -1.919 -7.800 -2.117 1.00 0.00 C +ATOM 93 C ASN A 6 -0.816 -7.961 -1.039 1.00 0.00 C +ATOM 94 O ASN A 6 0.312 -8.348 -1.341 1.00 0.00 O +ATOM 95 CB ASN A 6 -1.399 -8.081 -3.549 1.00 0.00 C +ATOM 96 CG ASN A 6 -2.453 -8.618 -4.504 1.00 0.00 C +ATOM 97 OD1 ASN A 6 -3.472 -9.167 -4.115 1.00 0.00 O +ATOM 98 ND2 ASN A 6 -2.213 -8.517 -5.796 1.00 0.00 N +ATOM 99 H ASN A 6 -3.585 -6.535 -2.474 1.00 0.00 H +ATOM 100 HA ASN A 6 -2.645 -8.579 -1.879 1.00 0.00 H +ATOM 101 HB2 ASN A 6 -0.952 -7.175 -3.959 1.00 0.00 H +ATOM 102 HB3 ASN A 6 -0.627 -8.849 -3.515 1.00 0.00 H +ATOM 103 HD21 ASN A 6 -1.383 -8.075 -6.149 1.00 0.00 H +ATOM 104 HD22 ASN A 6 -2.922 -8.916 -6.387 1.00 0.00 H +ATOM 105 N GLY A 7 -1.147 -7.715 0.236 1.00 0.00 N +ATOM 106 CA GLY A 7 -0.221 -7.945 1.352 1.00 0.00 C +ATOM 107 C GLY A 7 0.611 -6.727 1.771 1.00 0.00 C +ATOM 108 O GLY A 7 1.366 -6.831 2.738 1.00 0.00 O +ATOM 109 H GLY A 7 -2.065 -7.339 0.426 1.00 0.00 H +ATOM 110 HA2 GLY A 7 -0.768 -8.314 2.217 1.00 0.00 H +ATOM 111 HA3 GLY A 7 0.482 -8.732 1.078 1.00 0.00 H +ATOM 112 N LYS A 8 0.495 -5.586 1.073 1.00 0.00 N +ATOM 113 CA LYS A 8 1.252 -4.361 1.350 1.00 0.00 C +ATOM 114 C LYS A 8 0.339 -3.128 1.347 1.00 0.00 C +ATOM 115 O LYS A 8 -0.842 -3.191 0.999 1.00 0.00 O +ATOM 116 CB LYS A 8 2.461 -4.246 0.384 1.00 0.00 C +ATOM 117 CG LYS A 8 2.103 -4.163 -1.113 1.00 0.00 C +ATOM 118 CD LYS A 8 3.288 -4.303 -2.089 1.00 0.00 C +ATOM 119 CE LYS A 8 4.226 -3.097 -2.240 1.00 0.00 C +ATOM 120 NZ LYS A 8 5.161 -2.943 -1.112 1.00 0.00 N +ATOM 121 H LYS A 8 -0.154 -5.557 0.286 1.00 0.00 H +ATOM 122 HA LYS A 8 1.657 -4.454 2.356 1.00 0.00 H +ATOM 123 HB2 LYS A 8 3.048 -3.368 0.655 1.00 0.00 H +ATOM 124 HB3 LYS A 8 3.094 -5.123 0.536 1.00 0.00 H +ATOM 125 HG2 LYS A 8 1.445 -4.997 -1.342 1.00 0.00 H +ATOM 126 HG3 LYS A 8 1.565 -3.236 -1.317 1.00 0.00 H +ATOM 127 HD2 LYS A 8 3.873 -5.188 -1.830 1.00 0.00 H +ATOM 128 HD3 LYS A 8 2.860 -4.481 -3.077 1.00 0.00 H +ATOM 129 HE2 LYS A 8 4.821 -3.251 -3.140 1.00 0.00 H +ATOM 130 HE3 LYS A 8 3.644 -2.184 -2.366 1.00 0.00 H +ATOM 131 HZ1 LYS A 8 5.658 -3.811 -0.965 1.00 0.00 H +ATOM 132 HZ2 LYS A 8 5.826 -2.213 -1.327 1.00 0.00 H +ATOM 133 HZ3 LYS A 8 4.650 -2.695 -0.277 1.00 0.00 H +ATOM 134 N TRP A 9 0.904 -1.987 1.742 1.00 0.00 N +ATOM 135 CA TRP A 9 0.276 -0.681 1.579 1.00 0.00 C +ATOM 136 C TRP A 9 0.870 -0.022 0.324 1.00 0.00 C +ATOM 137 O TRP A 9 2.085 -0.048 0.127 1.00 0.00 O +ATOM 138 CB TRP A 9 0.481 0.165 2.845 1.00 0.00 C +ATOM 139 CG TRP A 9 -0.279 -0.268 4.066 1.00 0.00 C +ATOM 140 CD1 TRP A 9 0.241 -0.911 5.133 1.00 0.00 C +ATOM 141 CD2 TRP A 9 -1.683 -0.030 4.394 1.00 0.00 C +ATOM 142 NE1 TRP A 9 -0.740 -1.090 6.089 1.00 0.00 N +ATOM 143 CE2 TRP A 9 -1.947 -0.562 5.687 1.00 0.00 C +ATOM 144 CE3 TRP A 9 -2.750 0.622 3.745 1.00 0.00 C +ATOM 145 CZ2 TRP A 9 -3.208 -0.476 6.297 1.00 0.00 C +ATOM 146 CZ3 TRP A 9 -4.014 0.741 4.353 1.00 0.00 C +ATOM 147 CH2 TRP A 9 -4.247 0.185 5.622 1.00 0.00 C +ATOM 148 H TRP A 9 1.883 -1.999 1.980 1.00 0.00 H +ATOM 149 HA TRP A 9 -0.797 -0.802 1.434 1.00 0.00 H +ATOM 150 HB2 TRP A 9 1.547 0.218 3.080 1.00 0.00 H +ATOM 151 HB3 TRP A 9 0.146 1.177 2.632 1.00 0.00 H +ATOM 152 HD1 TRP A 9 1.276 -1.217 5.226 1.00 0.00 H +ATOM 153 HE1 TRP A 9 -0.575 -1.517 6.989 1.00 0.00 H +ATOM 154 HE3 TRP A 9 -2.574 1.047 2.772 1.00 0.00 H +ATOM 155 HZ2 TRP A 9 -3.375 -0.904 7.274 1.00 0.00 H +ATOM 156 HZ3 TRP A 9 -4.812 1.257 3.837 1.00 0.00 H +ATOM 157 HH2 TRP A 9 -5.225 0.267 6.079 1.00 0.00 H +ATOM 158 N THR A 10 0.024 0.578 -0.517 1.00 0.00 N +ATOM 159 CA THR A 10 0.399 1.387 -1.689 1.00 0.00 C +ATOM 160 C THR A 10 -0.014 2.843 -1.489 1.00 0.00 C +ATOM 161 O THR A 10 -1.007 3.115 -0.818 1.00 0.00 O +ATOM 162 CB THR A 10 -0.253 0.848 -2.974 1.00 0.00 C +ATOM 163 OG1 THR A 10 -1.605 0.491 -2.768 1.00 0.00 O +ATOM 164 CG2 THR A 10 0.488 -0.376 -3.504 1.00 0.00 C +ATOM 165 H THR A 10 -0.976 0.472 -0.350 1.00 0.00 H +ATOM 166 HA THR A 10 1.481 1.367 -1.816 1.00 0.00 H +ATOM 167 HB THR A 10 -0.214 1.622 -3.742 1.00 0.00 H +ATOM 168 HG1 THR A 10 -1.920 0.078 -3.577 1.00 0.00 H +ATOM 169 HG21 THR A 10 0.474 -1.173 -2.760 1.00 0.00 H +ATOM 170 HG22 THR A 10 0.014 -0.727 -4.421 1.00 0.00 H +ATOM 171 HG23 THR A 10 1.522 -0.107 -3.725 1.00 0.00 H +ATOM 172 N TRP A 11 0.739 3.790 -2.062 1.00 0.00 N +ATOM 173 CA TRP A 11 0.451 5.227 -1.990 1.00 0.00 C +ATOM 174 C TRP A 11 -0.348 5.614 -3.234 1.00 0.00 C +ATOM 175 O TRP A 11 0.222 5.884 -4.292 1.00 0.00 O +ATOM 176 CB TRP A 11 1.752 6.026 -1.828 1.00 0.00 C +ATOM 177 CG TRP A 11 1.587 7.509 -1.681 1.00 0.00 C +ATOM 178 CD1 TRP A 11 1.565 8.418 -2.682 1.00 0.00 C +ATOM 179 CD2 TRP A 11 1.404 8.277 -0.456 1.00 0.00 C +ATOM 180 NE1 TRP A 11 1.455 9.693 -2.154 1.00 0.00 N +ATOM 181 CE2 TRP A 11 1.354 9.664 -0.779 1.00 0.00 C +ATOM 182 CE3 TRP A 11 1.255 7.928 0.897 1.00 0.00 C +ATOM 183 CZ2 TRP A 11 1.206 10.658 0.204 1.00 0.00 C +ATOM 184 CZ3 TRP A 11 1.067 8.906 1.887 1.00 0.00 C +ATOM 185 CH2 TRP A 11 1.056 10.271 1.549 1.00 0.00 C +ATOM 186 H TRP A 11 1.510 3.511 -2.649 1.00 0.00 H +ATOM 187 HA TRP A 11 -0.165 5.433 -1.113 1.00 0.00 H +ATOM 188 HB2 TRP A 11 2.258 5.660 -0.932 1.00 0.00 H +ATOM 189 HB3 TRP A 11 2.423 5.829 -2.664 1.00 0.00 H +ATOM 190 HD1 TRP A 11 1.636 8.170 -3.734 1.00 0.00 H +ATOM 191 HE1 TRP A 11 1.444 10.531 -2.718 1.00 0.00 H +ATOM 192 HE3 TRP A 11 1.278 6.885 1.156 1.00 0.00 H +ATOM 193 HZ2 TRP A 11 1.199 11.703 -0.070 1.00 0.00 H +ATOM 194 HZ3 TRP A 11 0.927 8.590 2.908 1.00 0.00 H +ATOM 195 HH2 TRP A 11 0.919 11.018 2.318 1.00 0.00 H +ATOM 196 N LYS A 12 -1.680 5.593 -3.105 1.00 0.00 N +ATOM 197 CA LYS A 12 -2.612 5.674 -4.237 1.00 0.00 C +ATOM 198 C LYS A 12 -3.616 6.836 -4.141 1.00 0.00 C +ATOM 199 O LYS A 12 -4.447 7.017 -5.022 1.00 0.00 O +ATOM 200 CB LYS A 12 -3.302 4.304 -4.372 1.00 0.00 C +ATOM 201 CG LYS A 12 -3.681 3.958 -5.822 1.00 0.00 C +ATOM 202 CD LYS A 12 -4.861 2.978 -5.847 1.00 0.00 C +ATOM 203 CE LYS A 12 -5.447 2.807 -7.252 1.00 0.00 C +ATOM 204 NZ LYS A 12 -4.604 1.967 -8.118 1.00 0.00 N +ATOM 205 H LYS A 12 -2.058 5.359 -2.189 1.00 0.00 H +ATOM 206 HA LYS A 12 -2.039 5.849 -5.150 1.00 0.00 H +ATOM 207 HB2 LYS A 12 -2.640 3.514 -4.011 1.00 0.00 H +ATOM 208 HB3 LYS A 12 -4.188 4.306 -3.735 1.00 0.00 H +ATOM 209 HG2 LYS A 12 -3.964 4.862 -6.360 1.00 0.00 H +ATOM 210 HG3 LYS A 12 -2.819 3.514 -6.323 1.00 0.00 H +ATOM 211 HD2 LYS A 12 -4.551 2.010 -5.451 1.00 0.00 H +ATOM 212 HD3 LYS A 12 -5.655 3.373 -5.214 1.00 0.00 H +ATOM 213 HE2 LYS A 12 -6.425 2.335 -7.157 1.00 0.00 H +ATOM 214 HE3 LYS A 12 -5.577 3.787 -7.711 1.00 0.00 H +ATOM 215 HZ1 LYS A 12 -4.356 1.119 -7.626 1.00 0.00 H +ATOM 216 HZ2 LYS A 12 -5.120 1.727 -8.953 1.00 0.00 H +ATOM 217 HZ3 LYS A 12 -3.766 2.469 -8.373 1.00 0.00 H +TER 218 LYS A 12 +HETATM 219 N NH2 A 13 -3.554 7.655 -3.099 1.00 0.00 N +HETATM 220 HN1 NH2 A 13 -2.890 7.482 -2.360 1.00 0.00 H +HETATM 221 HN2 NH2 A 13 -4.193 8.432 -3.080 1.00 0.00 H +ENDMDL +MODEL 11 +ATOM 1 N SER A 1 -3.110 9.167 0.007 1.00 0.00 N +ATOM 2 CA SER A 1 -3.762 8.075 0.749 1.00 0.00 C +ATOM 3 C SER A 1 -3.032 6.748 0.566 1.00 0.00 C +ATOM 4 O SER A 1 -2.698 6.347 -0.548 1.00 0.00 O +ATOM 5 CB SER A 1 -5.245 7.962 0.380 1.00 0.00 C +ATOM 6 OG SER A 1 -5.510 7.963 -1.015 1.00 0.00 O +ATOM 7 HA SER A 1 -3.711 8.322 1.810 1.00 0.00 H +ATOM 8 HB2 SER A 1 -5.659 7.057 0.825 1.00 0.00 H +ATOM 9 HB3 SER A 1 -5.766 8.814 0.821 1.00 0.00 H +ATOM 10 HG SER A 1 -4.713 7.801 -1.571 1.00 0.00 H +ATOM 11 H1 SER A 1 -2.109 9.104 0.127 1.00 0.00 H +ATOM 12 H2 SER A 1 -3.439 10.055 0.361 1.00 0.00 H +ATOM 13 H3 SER A 1 -3.343 9.088 -0.973 1.00 0.00 H +ATOM 14 N TRP A 2 -2.762 6.059 1.680 1.00 0.00 N +ATOM 15 CA TRP A 2 -2.256 4.688 1.657 1.00 0.00 C +ATOM 16 C TRP A 2 -3.400 3.691 1.409 1.00 0.00 C +ATOM 17 O TRP A 2 -4.505 3.855 1.924 1.00 0.00 O +ATOM 18 CB TRP A 2 -1.521 4.382 2.969 1.00 0.00 C +ATOM 19 CG TRP A 2 -0.184 5.046 3.145 1.00 0.00 C +ATOM 20 CD1 TRP A 2 0.071 6.121 3.927 1.00 0.00 C +ATOM 21 CD2 TRP A 2 1.112 4.633 2.604 1.00 0.00 C +ATOM 22 NE1 TRP A 2 1.416 6.426 3.874 1.00 0.00 N +ATOM 23 CE2 TRP A 2 2.120 5.488 3.146 1.00 0.00 C +ATOM 24 CE3 TRP A 2 1.546 3.587 1.758 1.00 0.00 C +ATOM 25 CZ2 TRP A 2 3.487 5.296 2.891 1.00 0.00 C +ATOM 26 CZ3 TRP A 2 2.916 3.384 1.492 1.00 0.00 C +ATOM 27 CH2 TRP A 2 3.886 4.232 2.062 1.00 0.00 C +ATOM 28 H TRP A 2 -3.076 6.420 2.569 1.00 0.00 H +ATOM 29 HA TRP A 2 -1.554 4.601 0.832 1.00 0.00 H +ATOM 30 HB2 TRP A 2 -2.162 4.648 3.811 1.00 0.00 H +ATOM 31 HB3 TRP A 2 -1.349 3.306 3.020 1.00 0.00 H +ATOM 32 HD1 TRP A 2 -0.669 6.651 4.516 1.00 0.00 H +ATOM 33 HE1 TRP A 2 1.824 7.239 4.316 1.00 0.00 H +ATOM 34 HE3 TRP A 2 0.812 2.919 1.339 1.00 0.00 H +ATOM 35 HZ2 TRP A 2 4.221 5.954 3.333 1.00 0.00 H +ATOM 36 HZ3 TRP A 2 3.232 2.558 0.869 1.00 0.00 H +ATOM 37 HH2 TRP A 2 4.935 4.062 1.862 1.00 0.00 H +ATOM 38 N THR A 3 -3.161 2.649 0.609 1.00 0.00 N +ATOM 39 CA THR A 3 -4.167 1.642 0.232 1.00 0.00 C +ATOM 40 C THR A 3 -3.558 0.235 0.230 1.00 0.00 C +ATOM 41 O THR A 3 -2.420 0.035 -0.204 1.00 0.00 O +ATOM 42 CB THR A 3 -4.800 2.070 -1.100 1.00 0.00 C +ATOM 43 OG1 THR A 3 -5.659 3.152 -0.803 1.00 0.00 O +ATOM 44 CG2 THR A 3 -5.635 1.014 -1.824 1.00 0.00 C +ATOM 45 H THR A 3 -2.257 2.609 0.141 1.00 0.00 H +ATOM 46 HA THR A 3 -4.962 1.629 0.980 1.00 0.00 H +ATOM 47 HB THR A 3 -4.016 2.414 -1.776 1.00 0.00 H +ATOM 48 HG1 THR A 3 -5.390 3.518 0.052 1.00 0.00 H +ATOM 49 HG21 THR A 3 -4.983 0.243 -2.235 1.00 0.00 H +ATOM 50 HG22 THR A 3 -6.363 0.566 -1.147 1.00 0.00 H +ATOM 51 HG23 THR A 3 -6.167 1.488 -2.650 1.00 0.00 H +ATOM 52 N TRP A 4 -4.276 -0.695 0.876 1.00 0.00 N +ATOM 53 CA TRP A 4 -3.894 -2.093 1.066 1.00 0.00 C +ATOM 54 C TRP A 4 -4.064 -2.941 -0.199 1.00 0.00 C +ATOM 55 O TRP A 4 -5.173 -3.129 -0.705 1.00 0.00 O +ATOM 56 CB TRP A 4 -4.707 -2.677 2.237 1.00 0.00 C +ATOM 57 CG TRP A 4 -4.503 -4.134 2.555 1.00 0.00 C +ATOM 58 CD1 TRP A 4 -5.342 -5.139 2.213 1.00 0.00 C +ATOM 59 CD2 TRP A 4 -3.410 -4.769 3.289 1.00 0.00 C +ATOM 60 NE1 TRP A 4 -4.861 -6.339 2.702 1.00 0.00 N +ATOM 61 CE2 TRP A 4 -3.663 -6.169 3.362 1.00 0.00 C +ATOM 62 CE3 TRP A 4 -2.218 -4.305 3.881 1.00 0.00 C +ATOM 63 CZ2 TRP A 4 -2.782 -7.063 3.990 1.00 0.00 C +ATOM 64 CZ3 TRP A 4 -1.322 -5.187 4.511 1.00 0.00 C +ATOM 65 CH2 TRP A 4 -1.604 -6.563 4.571 1.00 0.00 C +ATOM 66 H TRP A 4 -5.170 -0.424 1.254 1.00 0.00 H +ATOM 67 HA TRP A 4 -2.838 -2.104 1.304 1.00 0.00 H +ATOM 68 HB2 TRP A 4 -4.474 -2.106 3.136 1.00 0.00 H +ATOM 69 HB3 TRP A 4 -5.768 -2.530 2.026 1.00 0.00 H +ATOM 70 HD1 TRP A 4 -6.261 -5.011 1.652 1.00 0.00 H +ATOM 71 HE1 TRP A 4 -5.340 -7.221 2.595 1.00 0.00 H +ATOM 72 HE3 TRP A 4 -1.978 -3.256 3.803 1.00 0.00 H +ATOM 73 HZ2 TRP A 4 -3.004 -8.119 4.026 1.00 0.00 H +ATOM 74 HZ3 TRP A 4 -0.396 -4.812 4.923 1.00 0.00 H +ATOM 75 HH2 TRP A 4 -0.902 -7.232 5.050 1.00 0.00 H +ATOM 76 N GLU A 5 -2.958 -3.522 -0.669 1.00 0.00 N +ATOM 77 CA GLU A 5 -2.935 -4.373 -1.846 1.00 0.00 C +ATOM 78 C GLU A 5 -2.086 -5.619 -1.561 1.00 0.00 C +ATOM 79 O GLU A 5 -0.916 -5.489 -1.208 1.00 0.00 O +ATOM 80 CB GLU A 5 -2.385 -3.606 -3.064 1.00 0.00 C +ATOM 81 CG GLU A 5 -3.433 -2.702 -3.737 1.00 0.00 C +ATOM 82 CD GLU A 5 -2.856 -1.849 -4.875 1.00 0.00 C +ATOM 83 OE1 GLU A 5 -1.829 -2.257 -5.461 1.00 0.00 O +ATOM 84 OE2 GLU A 5 -3.465 -0.791 -5.147 1.00 0.00 O +ATOM 85 H GLU A 5 -2.093 -3.412 -0.142 1.00 0.00 H +ATOM 86 HA GLU A 5 -3.965 -4.648 -2.052 1.00 0.00 H +ATOM 87 HB2 GLU A 5 -1.528 -3.004 -2.757 1.00 0.00 H +ATOM 88 HB3 GLU A 5 -2.046 -4.334 -3.804 1.00 0.00 H +ATOM 89 HG2 GLU A 5 -4.230 -3.326 -4.143 1.00 0.00 H +ATOM 90 HG3 GLU A 5 -3.869 -2.035 -2.992 1.00 0.00 H +ATOM 91 N ASN A 6 -2.663 -6.817 -1.726 1.00 0.00 N +ATOM 92 CA ASN A 6 -1.998 -8.129 -1.719 1.00 0.00 C +ATOM 93 C ASN A 6 -0.854 -8.281 -0.692 1.00 0.00 C +ATOM 94 O ASN A 6 0.267 -8.658 -1.034 1.00 0.00 O +ATOM 95 CB ASN A 6 -1.588 -8.468 -3.166 1.00 0.00 C +ATOM 96 CG ASN A 6 -2.784 -8.690 -4.086 1.00 0.00 C +ATOM 97 OD1 ASN A 6 -3.930 -8.422 -3.754 1.00 0.00 O +ATOM 98 ND2 ASN A 6 -2.554 -9.205 -5.275 1.00 0.00 N +ATOM 99 H ASN A 6 -3.618 -6.838 -2.058 1.00 0.00 H +ATOM 100 HA ASN A 6 -2.744 -8.870 -1.425 1.00 0.00 H +ATOM 101 HB2 ASN A 6 -0.972 -7.662 -3.566 1.00 0.00 H +ATOM 102 HB3 ASN A 6 -0.997 -9.384 -3.163 1.00 0.00 H +ATOM 103 HD21 ASN A 6 -1.630 -9.437 -5.592 1.00 0.00 H +ATOM 104 HD22 ASN A 6 -3.380 -9.344 -5.831 1.00 0.00 H +ATOM 105 N GLY A 7 -1.164 -8.017 0.584 1.00 0.00 N +ATOM 106 CA GLY A 7 -0.226 -8.148 1.702 1.00 0.00 C +ATOM 107 C GLY A 7 0.576 -6.880 2.020 1.00 0.00 C +ATOM 108 O GLY A 7 1.365 -6.903 2.962 1.00 0.00 O +ATOM 109 H GLY A 7 -2.097 -7.689 0.782 1.00 0.00 H +ATOM 110 HA2 GLY A 7 -0.768 -8.447 2.599 1.00 0.00 H +ATOM 111 HA3 GLY A 7 0.489 -8.941 1.479 1.00 0.00 H +ATOM 112 N LYS A 8 0.405 -5.798 1.245 1.00 0.00 N +ATOM 113 CA LYS A 8 1.229 -4.582 1.269 1.00 0.00 C +ATOM 114 C LYS A 8 0.376 -3.312 1.356 1.00 0.00 C +ATOM 115 O LYS A 8 -0.852 -3.339 1.293 1.00 0.00 O +ATOM 116 CB LYS A 8 2.122 -4.507 0.009 1.00 0.00 C +ATOM 117 CG LYS A 8 2.677 -5.848 -0.485 1.00 0.00 C +ATOM 118 CD LYS A 8 3.596 -5.624 -1.689 1.00 0.00 C +ATOM 119 CE LYS A 8 4.106 -6.952 -2.253 1.00 0.00 C +ATOM 120 NZ LYS A 8 3.043 -7.682 -2.965 1.00 0.00 N +ATOM 121 H LYS A 8 -0.247 -5.866 0.464 1.00 0.00 H +ATOM 122 HA LYS A 8 1.876 -4.602 2.148 1.00 0.00 H +ATOM 123 HB2 LYS A 8 1.545 -4.064 -0.806 1.00 0.00 H +ATOM 124 HB3 LYS A 8 2.961 -3.843 0.224 1.00 0.00 H +ATOM 125 HG2 LYS A 8 3.231 -6.336 0.317 1.00 0.00 H +ATOM 126 HG3 LYS A 8 1.850 -6.488 -0.796 1.00 0.00 H +ATOM 127 HD2 LYS A 8 3.057 -5.088 -2.472 1.00 0.00 H +ATOM 128 HD3 LYS A 8 4.450 -5.022 -1.378 1.00 0.00 H +ATOM 129 HE2 LYS A 8 4.914 -6.739 -2.950 1.00 0.00 H +ATOM 130 HE3 LYS A 8 4.495 -7.570 -1.442 1.00 0.00 H +ATOM 131 HZ1 LYS A 8 2.517 -8.245 -2.311 1.00 0.00 H +ATOM 132 HZ2 LYS A 8 2.423 -7.019 -3.408 1.00 0.00 H +ATOM 133 HZ3 LYS A 8 3.458 -8.277 -3.669 1.00 0.00 H +ATOM 134 N TRP A 9 1.063 -2.174 1.412 1.00 0.00 N +ATOM 135 CA TRP A 9 0.500 -0.831 1.379 1.00 0.00 C +ATOM 136 C TRP A 9 1.164 -0.049 0.246 1.00 0.00 C +ATOM 137 O TRP A 9 2.384 -0.109 0.098 1.00 0.00 O +ATOM 138 CB TRP A 9 0.757 -0.146 2.727 1.00 0.00 C +ATOM 139 CG TRP A 9 -0.090 -0.600 3.872 1.00 0.00 C +ATOM 140 CD1 TRP A 9 0.332 -1.328 4.931 1.00 0.00 C +ATOM 141 CD2 TRP A 9 -1.465 -0.218 4.166 1.00 0.00 C +ATOM 142 NE1 TRP A 9 -0.681 -1.397 5.869 1.00 0.00 N +ATOM 143 CE2 TRP A 9 -1.771 -0.640 5.489 1.00 0.00 C +ATOM 144 CE3 TRP A 9 -2.447 0.528 3.481 1.00 0.00 C +ATOM 145 CZ2 TRP A 9 -2.958 -0.265 6.135 1.00 0.00 C +ATOM 146 CZ3 TRP A 9 -3.643 0.906 4.113 1.00 0.00 C +ATOM 147 CH2 TRP A 9 -3.892 0.526 5.443 1.00 0.00 C +ATOM 148 H TRP A 9 2.069 -2.231 1.363 1.00 0.00 H +ATOM 149 HA TRP A 9 -0.575 -0.871 1.204 1.00 0.00 H +ATOM 150 HB2 TRP A 9 1.809 -0.237 3.008 1.00 0.00 H +ATOM 151 HB3 TRP A 9 0.564 0.919 2.606 1.00 0.00 H +ATOM 152 HD1 TRP A 9 1.329 -1.735 5.044 1.00 0.00 H +ATOM 153 HE1 TRP A 9 -0.593 -1.879 6.751 1.00 0.00 H +ATOM 154 HE3 TRP A 9 -2.269 0.846 2.468 1.00 0.00 H +ATOM 155 HZ2 TRP A 9 -3.140 -0.567 7.155 1.00 0.00 H +ATOM 156 HZ3 TRP A 9 -4.361 1.516 3.582 1.00 0.00 H +ATOM 157 HH2 TRP A 9 -4.804 0.842 5.927 1.00 0.00 H +ATOM 158 N THR A 10 0.380 0.710 -0.526 1.00 0.00 N +ATOM 159 CA THR A 10 0.888 1.617 -1.570 1.00 0.00 C +ATOM 160 C THR A 10 0.229 2.996 -1.489 1.00 0.00 C +ATOM 161 O THR A 10 -0.832 3.151 -0.883 1.00 0.00 O +ATOM 162 CB THR A 10 0.771 0.962 -2.958 1.00 0.00 C +ATOM 163 OG1 THR A 10 1.276 1.838 -3.938 1.00 0.00 O +ATOM 164 CG2 THR A 10 -0.648 0.554 -3.358 1.00 0.00 C +ATOM 165 H THR A 10 -0.630 0.667 -0.386 1.00 0.00 H +ATOM 166 HA THR A 10 1.952 1.799 -1.405 1.00 0.00 H +ATOM 167 HB THR A 10 1.394 0.067 -2.961 1.00 0.00 H +ATOM 168 HG1 THR A 10 1.222 1.390 -4.786 1.00 0.00 H +ATOM 169 HG21 THR A 10 -1.325 1.408 -3.305 1.00 0.00 H +ATOM 170 HG22 THR A 10 -0.643 0.165 -4.375 1.00 0.00 H +ATOM 171 HG23 THR A 10 -1.005 -0.237 -2.697 1.00 0.00 H +ATOM 172 N TRP A 11 0.905 4.016 -2.028 1.00 0.00 N +ATOM 173 CA TRP A 11 0.532 5.427 -1.936 1.00 0.00 C +ATOM 174 C TRP A 11 -0.231 5.836 -3.201 1.00 0.00 C +ATOM 175 O TRP A 11 0.364 6.018 -4.264 1.00 0.00 O +ATOM 176 CB TRP A 11 1.773 6.301 -1.671 1.00 0.00 C +ATOM 177 CG TRP A 11 1.455 7.761 -1.590 1.00 0.00 C +ATOM 178 CD1 TRP A 11 1.531 8.643 -2.611 1.00 0.00 C +ATOM 179 CD2 TRP A 11 0.896 8.501 -0.467 1.00 0.00 C +ATOM 180 NE1 TRP A 11 1.033 9.867 -2.205 1.00 0.00 N +ATOM 181 CE2 TRP A 11 0.576 9.821 -0.904 1.00 0.00 C +ATOM 182 CE3 TRP A 11 0.586 8.168 0.867 1.00 0.00 C +ATOM 183 CZ2 TRP A 11 -0.065 10.751 -0.070 1.00 0.00 C +ATOM 184 CZ3 TRP A 11 -0.055 9.089 1.713 1.00 0.00 C +ATOM 185 CH2 TRP A 11 -0.381 10.375 1.249 1.00 0.00 C +ATOM 186 H TRP A 11 1.688 3.769 -2.621 1.00 0.00 H +ATOM 187 HA TRP A 11 -0.136 5.563 -1.084 1.00 0.00 H +ATOM 188 HB2 TRP A 11 2.223 5.991 -0.726 1.00 0.00 H +ATOM 189 HB3 TRP A 11 2.522 6.144 -2.445 1.00 0.00 H +ATOM 190 HD1 TRP A 11 1.881 8.396 -3.606 1.00 0.00 H +ATOM 191 HE1 TRP A 11 0.986 10.676 -2.809 1.00 0.00 H +ATOM 192 HE3 TRP A 11 0.846 7.186 1.228 1.00 0.00 H +ATOM 193 HZ2 TRP A 11 -0.310 11.737 -0.438 1.00 0.00 H +ATOM 194 HZ3 TRP A 11 -0.302 8.800 2.723 1.00 0.00 H +ATOM 195 HH2 TRP A 11 -0.870 11.066 1.919 1.00 0.00 H +ATOM 196 N LYS A 12 -1.560 5.953 -3.083 1.00 0.00 N +ATOM 197 CA LYS A 12 -2.506 6.147 -4.186 1.00 0.00 C +ATOM 198 C LYS A 12 -3.229 7.488 -4.034 1.00 0.00 C +ATOM 199 O LYS A 12 -3.727 7.831 -2.961 1.00 0.00 O +ATOM 200 CB LYS A 12 -3.488 4.957 -4.222 1.00 0.00 C +ATOM 201 CG LYS A 12 -4.439 5.034 -5.430 1.00 0.00 C +ATOM 202 CD LYS A 12 -5.391 3.834 -5.555 1.00 0.00 C +ATOM 203 CE LYS A 12 -6.576 3.942 -4.592 1.00 0.00 C +ATOM 204 NZ LYS A 12 -7.594 2.921 -4.887 1.00 0.00 N +ATOM 205 H LYS A 12 -1.965 5.878 -2.149 1.00 0.00 H +ATOM 206 HA LYS A 12 -1.949 6.158 -5.126 1.00 0.00 H +ATOM 207 HB2 LYS A 12 -2.913 4.031 -4.291 1.00 0.00 H +ATOM 208 HB3 LYS A 12 -4.067 4.936 -3.298 1.00 0.00 H +ATOM 209 HG2 LYS A 12 -5.039 5.942 -5.370 1.00 0.00 H +ATOM 210 HG3 LYS A 12 -3.840 5.084 -6.340 1.00 0.00 H +ATOM 211 HD2 LYS A 12 -5.778 3.814 -6.575 1.00 0.00 H +ATOM 212 HD3 LYS A 12 -4.851 2.903 -5.374 1.00 0.00 H +ATOM 213 HE2 LYS A 12 -6.222 3.821 -3.567 1.00 0.00 H +ATOM 214 HE3 LYS A 12 -7.032 4.927 -4.695 1.00 0.00 H +ATOM 215 HZ1 LYS A 12 -8.274 2.889 -4.140 1.00 0.00 H +ATOM 216 HZ2 LYS A 12 -8.060 3.153 -5.752 1.00 0.00 H +ATOM 217 HZ3 LYS A 12 -7.149 2.019 -4.979 1.00 0.00 H +TER 218 LYS A 12 +HETATM 219 N NH2 A 13 -3.311 8.247 -5.120 1.00 0.00 N +HETATM 220 HN1 NH2 A 13 -2.897 7.939 -5.987 1.00 0.00 H +HETATM 221 HN2 NH2 A 13 -3.791 9.129 -5.050 1.00 0.00 H +ENDMDL +MODEL 12 +ATOM 1 N SER A 1 -2.529 9.150 2.079 1.00 0.00 N +ATOM 2 CA SER A 1 -3.338 8.295 1.193 1.00 0.00 C +ATOM 3 C SER A 1 -2.635 6.966 0.948 1.00 0.00 C +ATOM 4 O SER A 1 -1.985 6.782 -0.081 1.00 0.00 O +ATOM 5 CB SER A 1 -3.631 8.980 -0.143 1.00 0.00 C +ATOM 6 OG SER A 1 -4.537 10.040 0.060 1.00 0.00 O +ATOM 7 HA SER A 1 -4.290 8.094 1.684 1.00 0.00 H +ATOM 8 HB2 SER A 1 -2.704 9.351 -0.586 1.00 0.00 H +ATOM 9 HB3 SER A 1 -4.087 8.257 -0.820 1.00 0.00 H +ATOM 10 HG SER A 1 -5.137 10.061 -0.692 1.00 0.00 H +ATOM 11 H1 SER A 1 -1.625 9.309 1.659 1.00 0.00 H +ATOM 12 H2 SER A 1 -2.405 8.689 2.970 1.00 0.00 H +ATOM 13 H3 SER A 1 -2.998 10.033 2.220 1.00 0.00 H +ATOM 14 N TRP A 2 -2.793 6.028 1.887 1.00 0.00 N +ATOM 15 CA TRP A 2 -2.295 4.658 1.772 1.00 0.00 C +ATOM 16 C TRP A 2 -3.473 3.684 1.691 1.00 0.00 C +ATOM 17 O TRP A 2 -4.487 3.863 2.363 1.00 0.00 O +ATOM 18 CB TRP A 2 -1.386 4.322 2.959 1.00 0.00 C +ATOM 19 CG TRP A 2 0.007 4.887 2.980 1.00 0.00 C +ATOM 20 CD1 TRP A 2 0.425 5.903 3.773 1.00 0.00 C +ATOM 21 CD2 TRP A 2 1.222 4.323 2.388 1.00 0.00 C +ATOM 22 NE1 TRP A 2 1.801 6.023 3.690 1.00 0.00 N +ATOM 23 CE2 TRP A 2 2.348 5.029 2.905 1.00 0.00 C +ATOM 24 CE3 TRP A 2 1.497 3.225 1.544 1.00 0.00 C +ATOM 25 CZ2 TRP A 2 3.670 4.659 2.614 1.00 0.00 C +ATOM 26 CZ3 TRP A 2 2.819 2.816 1.273 1.00 0.00 C +ATOM 27 CH2 TRP A 2 3.906 3.532 1.807 1.00 0.00 C +ATOM 28 H TRP A 2 -3.414 6.210 2.662 1.00 0.00 H +ATOM 29 HA TRP A 2 -1.716 4.560 0.854 1.00 0.00 H +ATOM 30 HB2 TRP A 2 -1.894 4.608 3.881 1.00 0.00 H +ATOM 31 HB3 TRP A 2 -1.272 3.239 2.992 1.00 0.00 H +ATOM 32 HD1 TRP A 2 -0.212 6.504 4.408 1.00 0.00 H +ATOM 33 HE1 TRP A 2 2.341 6.700 4.208 1.00 0.00 H +ATOM 34 HE3 TRP A 2 0.668 2.666 1.150 1.00 0.00 H +ATOM 35 HZ2 TRP A 2 4.498 5.218 3.026 1.00 0.00 H +ATOM 36 HZ3 TRP A 2 3.007 1.933 0.678 1.00 0.00 H +ATOM 37 HH2 TRP A 2 4.918 3.209 1.607 1.00 0.00 H +ATOM 38 N THR A 3 -3.338 2.680 0.824 1.00 0.00 N +ATOM 39 CA THR A 3 -4.376 1.704 0.453 1.00 0.00 C +ATOM 40 C THR A 3 -3.804 0.293 0.473 1.00 0.00 C +ATOM 41 O THR A 3 -2.644 0.098 0.112 1.00 0.00 O +ATOM 42 CB THR A 3 -4.940 2.023 -0.940 1.00 0.00 C +ATOM 43 OG1 THR A 3 -3.920 2.153 -1.910 1.00 0.00 O +ATOM 44 CG2 THR A 3 -5.743 3.323 -0.907 1.00 0.00 C +ATOM 45 H THR A 3 -2.466 2.641 0.304 1.00 0.00 H +ATOM 46 HA THR A 3 -5.206 1.734 1.164 1.00 0.00 H +ATOM 47 HB THR A 3 -5.601 1.211 -1.245 1.00 0.00 H +ATOM 48 HG1 THR A 3 -3.088 1.834 -1.540 1.00 0.00 H +ATOM 49 HG21 THR A 3 -5.083 4.170 -0.721 1.00 0.00 H +ATOM 50 HG22 THR A 3 -6.243 3.465 -1.864 1.00 0.00 H +ATOM 51 HG23 THR A 3 -6.491 3.272 -0.115 1.00 0.00 H +ATOM 52 N TRP A 4 -4.595 -0.674 0.948 1.00 0.00 N +ATOM 53 CA TRP A 4 -4.163 -2.057 1.148 1.00 0.00 C +ATOM 54 C TRP A 4 -4.446 -2.947 -0.073 1.00 0.00 C +ATOM 55 O TRP A 4 -5.599 -3.123 -0.470 1.00 0.00 O +ATOM 56 CB TRP A 4 -4.830 -2.607 2.412 1.00 0.00 C +ATOM 57 CG TRP A 4 -4.573 -4.062 2.627 1.00 0.00 C +ATOM 58 CD1 TRP A 4 -5.303 -5.075 2.108 1.00 0.00 C +ATOM 59 CD2 TRP A 4 -3.470 -4.683 3.344 1.00 0.00 C +ATOM 60 NE1 TRP A 4 -4.738 -6.281 2.471 1.00 0.00 N +ATOM 61 CE2 TRP A 4 -3.621 -6.096 3.259 1.00 0.00 C +ATOM 62 CE3 TRP A 4 -2.359 -4.187 4.056 1.00 0.00 C +ATOM 63 CZ2 TRP A 4 -2.732 -6.982 3.883 1.00 0.00 C +ATOM 64 CZ3 TRP A 4 -1.447 -5.066 4.665 1.00 0.00 C +ATOM 65 CH2 TRP A 4 -1.636 -6.458 4.589 1.00 0.00 C +ATOM 66 H TRP A 4 -5.544 -0.449 1.210 1.00 0.00 H +ATOM 67 HA TRP A 4 -3.087 -2.073 1.321 1.00 0.00 H +ATOM 68 HB2 TRP A 4 -4.444 -2.052 3.280 1.00 0.00 H +ATOM 69 HB3 TRP A 4 -5.910 -2.448 2.361 1.00 0.00 H +ATOM 70 HD1 TRP A 4 -6.178 -4.940 1.482 1.00 0.00 H +ATOM 71 HE1 TRP A 4 -5.105 -7.177 2.185 1.00 0.00 H +ATOM 72 HE3 TRP A 4 -2.218 -3.118 4.134 1.00 0.00 H +ATOM 73 HZ2 TRP A 4 -2.881 -8.047 3.808 1.00 0.00 H +ATOM 74 HZ3 TRP A 4 -0.601 -4.668 5.208 1.00 0.00 H +ATOM 75 HH2 TRP A 4 -0.929 -7.122 5.064 1.00 0.00 H +ATOM 76 N GLU A 5 -3.398 -3.576 -0.623 1.00 0.00 N +ATOM 77 CA GLU A 5 -3.509 -4.454 -1.787 1.00 0.00 C +ATOM 78 C GLU A 5 -2.513 -5.628 -1.709 1.00 0.00 C +ATOM 79 O GLU A 5 -1.355 -5.451 -1.338 1.00 0.00 O +ATOM 80 CB GLU A 5 -3.312 -3.623 -3.067 1.00 0.00 C +ATOM 81 CG GLU A 5 -3.832 -4.348 -4.317 1.00 0.00 C +ATOM 82 CD GLU A 5 -3.880 -3.405 -5.520 1.00 0.00 C +ATOM 83 OE1 GLU A 5 -4.883 -2.665 -5.623 1.00 0.00 O +ATOM 84 OE2 GLU A 5 -2.915 -3.435 -6.314 1.00 0.00 O +ATOM 85 H GLU A 5 -2.467 -3.452 -0.220 1.00 0.00 H +ATOM 86 HA GLU A 5 -4.530 -4.836 -1.799 1.00 0.00 H +ATOM 87 HB2 GLU A 5 -3.868 -2.689 -2.966 1.00 0.00 H +ATOM 88 HB3 GLU A 5 -2.255 -3.380 -3.194 1.00 0.00 H +ATOM 89 HG2 GLU A 5 -3.189 -5.199 -4.543 1.00 0.00 H +ATOM 90 HG3 GLU A 5 -4.839 -4.721 -4.125 1.00 0.00 H +ATOM 91 N ASN A 6 -2.967 -6.837 -2.069 1.00 0.00 N +ATOM 92 CA ASN A 6 -2.182 -8.072 -2.231 1.00 0.00 C +ATOM 93 C ASN A 6 -1.159 -8.424 -1.114 1.00 0.00 C +ATOM 94 O ASN A 6 -0.208 -9.164 -1.368 1.00 0.00 O +ATOM 95 CB ASN A 6 -1.626 -8.138 -3.672 1.00 0.00 C +ATOM 96 CG ASN A 6 -0.376 -7.309 -3.953 1.00 0.00 C +ATOM 97 OD1 ASN A 6 -0.406 -6.317 -4.660 1.00 0.00 O +ATOM 98 ND2 ASN A 6 0.772 -7.747 -3.479 1.00 0.00 N +ATOM 99 H ASN A 6 -3.929 -6.883 -2.369 1.00 0.00 H +ATOM 100 HA ASN A 6 -2.911 -8.882 -2.173 1.00 0.00 H +ATOM 101 HB2 ASN A 6 -1.391 -9.176 -3.906 1.00 0.00 H +ATOM 102 HB3 ASN A 6 -2.401 -7.820 -4.370 1.00 0.00 H +ATOM 103 HD21 ASN A 6 0.747 -8.506 -2.798 1.00 0.00 H +ATOM 104 HD22 ASN A 6 1.594 -7.244 -3.749 1.00 0.00 H +ATOM 105 N GLY A 7 -1.364 -7.932 0.115 1.00 0.00 N +ATOM 106 CA GLY A 7 -0.488 -8.114 1.282 1.00 0.00 C +ATOM 107 C GLY A 7 0.394 -6.918 1.672 1.00 0.00 C +ATOM 108 O GLY A 7 1.053 -7.004 2.709 1.00 0.00 O +ATOM 109 H GLY A 7 -2.153 -7.311 0.218 1.00 0.00 H +ATOM 110 HA2 GLY A 7 -1.107 -8.357 2.144 1.00 0.00 H +ATOM 111 HA3 GLY A 7 0.177 -8.968 1.131 1.00 0.00 H +ATOM 112 N LYS A 8 0.385 -5.797 0.930 1.00 0.00 N +ATOM 113 CA LYS A 8 1.107 -4.575 1.321 1.00 0.00 C +ATOM 114 C LYS A 8 0.242 -3.315 1.236 1.00 0.00 C +ATOM 115 O LYS A 8 -0.862 -3.315 0.688 1.00 0.00 O +ATOM 116 CB LYS A 8 2.431 -4.441 0.538 1.00 0.00 C +ATOM 117 CG LYS A 8 2.288 -4.308 -0.992 1.00 0.00 C +ATOM 118 CD LYS A 8 3.654 -4.229 -1.699 1.00 0.00 C +ATOM 119 CE LYS A 8 4.516 -5.487 -1.517 1.00 0.00 C +ATOM 120 NZ LYS A 8 4.064 -6.599 -2.368 1.00 0.00 N +ATOM 121 H LYS A 8 -0.199 -5.754 0.091 1.00 0.00 H +ATOM 122 HA LYS A 8 1.388 -4.687 2.366 1.00 0.00 H +ATOM 123 HB2 LYS A 8 2.974 -3.568 0.905 1.00 0.00 H +ATOM 124 HB3 LYS A 8 3.037 -5.315 0.772 1.00 0.00 H +ATOM 125 HG2 LYS A 8 1.726 -5.154 -1.388 1.00 0.00 H +ATOM 126 HG3 LYS A 8 1.735 -3.394 -1.217 1.00 0.00 H +ATOM 127 HD2 LYS A 8 3.496 -4.062 -2.766 1.00 0.00 H +ATOM 128 HD3 LYS A 8 4.205 -3.372 -1.309 1.00 0.00 H +ATOM 129 HE2 LYS A 8 5.549 -5.250 -1.775 1.00 0.00 H +ATOM 130 HE3 LYS A 8 4.490 -5.801 -0.474 1.00 0.00 H +ATOM 131 HZ1 LYS A 8 3.102 -6.819 -2.154 1.00 0.00 H +ATOM 132 HZ2 LYS A 8 4.145 -6.329 -3.338 1.00 0.00 H +ATOM 133 HZ3 LYS A 8 4.643 -7.409 -2.197 1.00 0.00 H +ATOM 134 N TRP A 9 0.781 -2.216 1.765 1.00 0.00 N +ATOM 135 CA TRP A 9 0.234 -0.880 1.560 1.00 0.00 C +ATOM 136 C TRP A 9 0.858 -0.273 0.298 1.00 0.00 C +ATOM 137 O TRP A 9 2.041 -0.474 0.023 1.00 0.00 O +ATOM 138 CB TRP A 9 0.540 0.021 2.763 1.00 0.00 C +ATOM 139 CG TRP A 9 -0.168 -0.265 4.049 1.00 0.00 C +ATOM 140 CD1 TRP A 9 0.362 -0.870 5.136 1.00 0.00 C +ATOM 141 CD2 TRP A 9 -1.510 0.155 4.437 1.00 0.00 C +ATOM 142 NE1 TRP A 9 -0.537 -0.799 6.185 1.00 0.00 N +ATOM 143 CE2 TRP A 9 -1.710 -0.177 5.810 1.00 0.00 C +ATOM 144 CE3 TRP A 9 -2.564 0.822 3.777 1.00 0.00 C +ATOM 145 CZ2 TRP A 9 -2.891 0.150 6.496 1.00 0.00 C +ATOM 146 CZ3 TRP A 9 -3.745 1.166 4.454 1.00 0.00 C +ATOM 147 CH2 TRP A 9 -3.913 0.832 5.810 1.00 0.00 C +ATOM 148 H TRP A 9 1.713 -2.284 2.140 1.00 0.00 H +ATOM 149 HA TRP A 9 -0.846 -0.939 1.434 1.00 0.00 H +ATOM 150 HB2 TRP A 9 1.617 0.060 2.941 1.00 0.00 H +ATOM 151 HB3 TRP A 9 0.229 1.027 2.497 1.00 0.00 H +ATOM 152 HD1 TRP A 9 1.369 -1.262 5.196 1.00 0.00 H +ATOM 153 HE1 TRP A 9 -0.320 -1.091 7.127 1.00 0.00 H +ATOM 154 HE3 TRP A 9 -2.466 1.090 2.742 1.00 0.00 H +ATOM 155 HZ2 TRP A 9 -3.004 -0.098 7.540 1.00 0.00 H +ATOM 156 HZ3 TRP A 9 -4.528 1.682 3.920 1.00 0.00 H +ATOM 157 HH2 TRP A 9 -4.824 1.107 6.322 1.00 0.00 H +ATOM 158 N THR A 10 0.083 0.540 -0.421 1.00 0.00 N +ATOM 159 CA THR A 10 0.547 1.357 -1.547 1.00 0.00 C +ATOM 160 C THR A 10 -0.038 2.770 -1.462 1.00 0.00 C +ATOM 161 O THR A 10 -1.184 2.943 -1.035 1.00 0.00 O +ATOM 162 CB THR A 10 0.235 0.654 -2.878 1.00 0.00 C +ATOM 163 OG1 THR A 10 0.828 1.378 -3.925 1.00 0.00 O +ATOM 164 CG2 THR A 10 -1.252 0.500 -3.203 1.00 0.00 C +ATOM 165 H THR A 10 -0.904 0.591 -0.171 1.00 0.00 H +ATOM 166 HA THR A 10 1.633 1.447 -1.488 1.00 0.00 H +ATOM 167 HB THR A 10 0.681 -0.340 -2.850 1.00 0.00 H +ATOM 168 HG1 THR A 10 0.413 1.097 -4.745 1.00 0.00 H +ATOM 169 HG21 THR A 10 -1.369 -0.131 -4.085 1.00 0.00 H +ATOM 170 HG22 THR A 10 -1.769 0.019 -2.374 1.00 0.00 H +ATOM 171 HG23 THR A 10 -1.699 1.476 -3.397 1.00 0.00 H +ATOM 172 N TRP A 11 0.780 3.780 -1.781 1.00 0.00 N +ATOM 173 CA TRP A 11 0.415 5.200 -1.789 1.00 0.00 C +ATOM 174 C TRP A 11 -0.443 5.554 -3.012 1.00 0.00 C +ATOM 175 O TRP A 11 -0.131 5.118 -4.120 1.00 0.00 O +ATOM 176 CB TRP A 11 1.695 6.049 -1.808 1.00 0.00 C +ATOM 177 CG TRP A 11 1.463 7.524 -1.709 1.00 0.00 C +ATOM 178 CD1 TRP A 11 1.470 8.421 -2.722 1.00 0.00 C +ATOM 179 CD2 TRP A 11 1.160 8.282 -0.507 1.00 0.00 C +ATOM 180 NE1 TRP A 11 1.201 9.683 -2.219 1.00 0.00 N +ATOM 181 CE2 TRP A 11 1.003 9.654 -0.853 1.00 0.00 C +ATOM 182 CE3 TRP A 11 0.997 7.927 0.843 1.00 0.00 C +ATOM 183 CZ2 TRP A 11 0.712 10.637 0.108 1.00 0.00 C +ATOM 184 CZ3 TRP A 11 0.697 8.897 1.813 1.00 0.00 C +ATOM 185 CH2 TRP A 11 0.562 10.251 1.452 1.00 0.00 C +ATOM 186 H TRP A 11 1.699 3.544 -2.123 1.00 0.00 H +ATOM 187 HA TRP A 11 -0.136 5.428 -0.878 1.00 0.00 H +ATOM 188 HB2 TRP A 11 2.319 5.755 -0.962 1.00 0.00 H +ATOM 189 HB3 TRP A 11 2.265 5.845 -2.714 1.00 0.00 H +ATOM 190 HD1 TRP A 11 1.663 8.176 -3.759 1.00 0.00 H +ATOM 191 HE1 TRP A 11 1.177 10.522 -2.783 1.00 0.00 H +ATOM 192 HE3 TRP A 11 1.106 6.891 1.119 1.00 0.00 H +ATOM 193 HZ2 TRP A 11 0.609 11.673 -0.182 1.00 0.00 H +ATOM 194 HZ3 TRP A 11 0.573 8.579 2.833 1.00 0.00 H +ATOM 195 HH2 TRP A 11 0.341 10.991 2.209 1.00 0.00 H +ATOM 196 N LYS A 12 -1.462 6.413 -2.842 1.00 0.00 N +ATOM 197 CA LYS A 12 -2.344 6.860 -3.936 1.00 0.00 C +ATOM 198 C LYS A 12 -2.665 8.358 -3.871 1.00 0.00 C +ATOM 199 O LYS A 12 -3.724 8.783 -3.424 1.00 0.00 O +ATOM 200 CB LYS A 12 -3.602 5.969 -4.016 1.00 0.00 C +ATOM 201 CG LYS A 12 -3.242 4.615 -4.650 1.00 0.00 C +ATOM 202 CD LYS A 12 -4.460 3.783 -5.061 1.00 0.00 C +ATOM 203 CE LYS A 12 -3.950 2.450 -5.617 1.00 0.00 C +ATOM 204 NZ LYS A 12 -5.003 1.424 -5.634 1.00 0.00 N +ATOM 205 H LYS A 12 -1.663 6.708 -1.887 1.00 0.00 H +ATOM 206 HA LYS A 12 -1.811 6.731 -4.878 1.00 0.00 H +ATOM 207 HB2 LYS A 12 -4.023 5.816 -3.020 1.00 0.00 H +ATOM 208 HB3 LYS A 12 -4.351 6.457 -4.642 1.00 0.00 H +ATOM 209 HG2 LYS A 12 -2.638 4.787 -5.543 1.00 0.00 H +ATOM 210 HG3 LYS A 12 -2.653 4.037 -3.937 1.00 0.00 H +ATOM 211 HD2 LYS A 12 -5.089 3.608 -4.189 1.00 0.00 H +ATOM 212 HD3 LYS A 12 -5.033 4.307 -5.829 1.00 0.00 H +ATOM 213 HE2 LYS A 12 -3.568 2.600 -6.629 1.00 0.00 H +ATOM 214 HE3 LYS A 12 -3.135 2.097 -4.986 1.00 0.00 H +ATOM 215 HZ1 LYS A 12 -5.704 1.664 -6.320 1.00 0.00 H +ATOM 216 HZ2 LYS A 12 -4.594 0.528 -5.865 1.00 0.00 H +ATOM 217 HZ3 LYS A 12 -5.427 1.372 -4.719 1.00 0.00 H +TER 218 LYS A 12 +HETATM 219 N NH2 A 13 -1.740 9.180 -4.353 1.00 0.00 N +HETATM 220 HN1 NH2 A 13 -0.863 8.813 -4.685 1.00 0.00 H +HETATM 221 HN2 NH2 A 13 -1.958 10.162 -4.400 1.00 0.00 H +ENDMDL +MODEL 13 +ATOM 1 N SER A 1 -3.319 9.394 -0.106 1.00 0.00 N +ATOM 2 CA SER A 1 -3.041 8.670 1.149 1.00 0.00 C +ATOM 3 C SER A 1 -2.606 7.213 0.891 1.00 0.00 C +ATOM 4 O SER A 1 -2.189 6.862 -0.216 1.00 0.00 O +ATOM 5 CB SER A 1 -4.251 8.765 2.086 1.00 0.00 C +ATOM 6 OG SER A 1 -3.815 8.598 3.420 1.00 0.00 O +ATOM 7 HA SER A 1 -2.215 9.186 1.637 1.00 0.00 H +ATOM 8 HB2 SER A 1 -4.721 9.746 1.989 1.00 0.00 H +ATOM 9 HB3 SER A 1 -4.984 7.996 1.838 1.00 0.00 H +ATOM 10 HG SER A 1 -3.910 9.440 3.881 1.00 0.00 H +ATOM 11 H1 SER A 1 -2.456 9.545 -0.609 1.00 0.00 H +ATOM 12 H2 SER A 1 -3.740 10.288 0.108 1.00 0.00 H +ATOM 13 H3 SER A 1 -3.951 8.856 -0.681 1.00 0.00 H +ATOM 14 N TRP A 2 -2.646 6.357 1.921 1.00 0.00 N +ATOM 15 CA TRP A 2 -2.276 4.941 1.827 1.00 0.00 C +ATOM 16 C TRP A 2 -3.477 3.994 1.658 1.00 0.00 C +ATOM 17 O TRP A 2 -4.500 4.146 2.320 1.00 0.00 O +ATOM 18 CB TRP A 2 -1.464 4.551 3.070 1.00 0.00 C +ATOM 19 CG TRP A 2 -0.087 5.137 3.194 1.00 0.00 C +ATOM 20 CD1 TRP A 2 0.264 6.186 3.974 1.00 0.00 C +ATOM 21 CD2 TRP A 2 1.159 4.618 2.635 1.00 0.00 C +ATOM 22 NE1 TRP A 2 1.637 6.353 3.937 1.00 0.00 N +ATOM 23 CE2 TRP A 2 2.244 5.367 3.182 1.00 0.00 C +ATOM 24 CE3 TRP A 2 1.484 3.554 1.762 1.00 0.00 C +ATOM 25 CZ2 TRP A 2 3.585 5.056 2.901 1.00 0.00 C +ATOM 26 CZ3 TRP A 2 2.825 3.258 1.441 1.00 0.00 C +ATOM 27 CH2 TRP A 2 3.873 3.999 2.020 1.00 0.00 C +ATOM 28 H TRP A 2 -2.988 6.723 2.804 1.00 0.00 H +ATOM 29 HA TRP A 2 -1.672 4.825 0.931 1.00 0.00 H +ATOM 30 HB2 TRP A 2 -2.037 4.819 3.960 1.00 0.00 H +ATOM 31 HB3 TRP A 2 -1.348 3.466 3.107 1.00 0.00 H +ATOM 32 HD1 TRP A 2 -0.422 6.792 4.552 1.00 0.00 H +ATOM 33 HE1 TRP A 2 2.118 7.111 4.402 1.00 0.00 H +ATOM 34 HE3 TRP A 2 0.685 2.955 1.358 1.00 0.00 H +ATOM 35 HZ2 TRP A 2 4.383 5.629 3.351 1.00 0.00 H +ATOM 36 HZ3 TRP A 2 3.054 2.438 0.773 1.00 0.00 H +ATOM 37 HH2 TRP A 2 4.898 3.748 1.786 1.00 0.00 H +ATOM 38 N THR A 3 -3.315 2.969 0.808 1.00 0.00 N +ATOM 39 CA THR A 3 -4.322 1.955 0.428 1.00 0.00 C +ATOM 40 C THR A 3 -3.728 0.543 0.604 1.00 0.00 C +ATOM 41 O THR A 3 -2.537 0.345 0.354 1.00 0.00 O +ATOM 42 CB THR A 3 -4.754 2.165 -1.043 1.00 0.00 C +ATOM 43 OG1 THR A 3 -4.794 3.538 -1.357 1.00 0.00 O +ATOM 44 CG2 THR A 3 -6.160 1.655 -1.359 1.00 0.00 C +ATOM 45 H THR A 3 -2.409 2.875 0.350 1.00 0.00 H +ATOM 46 HA THR A 3 -5.198 2.058 1.070 1.00 0.00 H +ATOM 47 HB THR A 3 -4.037 1.676 -1.705 1.00 0.00 H +ATOM 48 HG1 THR A 3 -4.496 4.005 -0.572 1.00 0.00 H +ATOM 49 HG21 THR A 3 -6.381 1.850 -2.409 1.00 0.00 H +ATOM 50 HG22 THR A 3 -6.235 0.584 -1.179 1.00 0.00 H +ATOM 51 HG23 THR A 3 -6.894 2.188 -0.752 1.00 0.00 H +ATOM 52 N TRP A 4 -4.531 -0.441 1.038 1.00 0.00 N +ATOM 53 CA TRP A 4 -4.104 -1.843 1.188 1.00 0.00 C +ATOM 54 C TRP A 4 -4.289 -2.612 -0.126 1.00 0.00 C +ATOM 55 O TRP A 4 -5.355 -2.569 -0.748 1.00 0.00 O +ATOM 56 CB TRP A 4 -4.855 -2.523 2.339 1.00 0.00 C +ATOM 57 CG TRP A 4 -4.598 -3.999 2.481 1.00 0.00 C +ATOM 58 CD1 TRP A 4 -5.344 -4.978 1.920 1.00 0.00 C +ATOM 59 CD2 TRP A 4 -3.509 -4.686 3.173 1.00 0.00 C +ATOM 60 NE1 TRP A 4 -4.833 -6.214 2.269 1.00 0.00 N +ATOM 61 CE2 TRP A 4 -3.694 -6.094 3.037 1.00 0.00 C +ATOM 62 CE3 TRP A 4 -2.379 -4.262 3.903 1.00 0.00 C +ATOM 63 CZ2 TRP A 4 -2.805 -7.032 3.586 1.00 0.00 C +ATOM 64 CZ3 TRP A 4 -1.459 -5.188 4.428 1.00 0.00 C +ATOM 65 CH2 TRP A 4 -1.665 -6.569 4.267 1.00 0.00 C +ATOM 66 H TRP A 4 -5.520 -0.258 1.120 1.00 0.00 H +ATOM 67 HA TRP A 4 -3.043 -1.866 1.436 1.00 0.00 H +ATOM 68 HB2 TRP A 4 -4.565 -2.034 3.272 1.00 0.00 H +ATOM 69 HB3 TRP A 4 -5.927 -2.368 2.209 1.00 0.00 H +ATOM 70 HD1 TRP A 4 -6.218 -4.803 1.304 1.00 0.00 H +ATOM 71 HE1 TRP A 4 -5.251 -7.088 1.987 1.00 0.00 H +ATOM 72 HE3 TRP A 4 -2.219 -3.206 4.032 1.00 0.00 H +ATOM 73 HZ2 TRP A 4 -2.966 -8.090 3.447 1.00 0.00 H +ATOM 74 HZ3 TRP A 4 -0.583 -4.832 4.954 1.00 0.00 H +ATOM 75 HH2 TRP A 4 -0.933 -7.267 4.653 1.00 0.00 H +ATOM 76 N GLU A 5 -3.243 -3.324 -0.554 1.00 0.00 N +ATOM 77 CA GLU A 5 -3.180 -3.894 -1.889 1.00 0.00 C +ATOM 78 C GLU A 5 -2.310 -5.170 -1.889 1.00 0.00 C +ATOM 79 O GLU A 5 -1.102 -5.069 -1.696 1.00 0.00 O +ATOM 80 CB GLU A 5 -2.623 -2.793 -2.821 1.00 0.00 C +ATOM 81 CG GLU A 5 -3.142 -2.860 -4.261 1.00 0.00 C +ATOM 82 CD GLU A 5 -2.854 -4.201 -4.929 1.00 0.00 C +ATOM 83 OE1 GLU A 5 -1.692 -4.393 -5.349 1.00 0.00 O +ATOM 84 OE2 GLU A 5 -3.799 -5.017 -4.995 1.00 0.00 O +ATOM 85 H GLU A 5 -2.404 -3.384 0.025 1.00 0.00 H +ATOM 86 HA GLU A 5 -4.204 -4.111 -2.186 1.00 0.00 H +ATOM 87 HB2 GLU A 5 -2.930 -1.819 -2.438 1.00 0.00 H +ATOM 88 HB3 GLU A 5 -1.534 -2.809 -2.821 1.00 0.00 H +ATOM 89 HG2 GLU A 5 -4.217 -2.672 -4.259 1.00 0.00 H +ATOM 90 HG3 GLU A 5 -2.668 -2.062 -4.835 1.00 0.00 H +ATOM 91 N ASN A 6 -2.899 -6.365 -2.079 1.00 0.00 N +ATOM 92 CA ASN A 6 -2.204 -7.661 -2.227 1.00 0.00 C +ATOM 93 C ASN A 6 -0.965 -7.820 -1.305 1.00 0.00 C +ATOM 94 O ASN A 6 0.187 -7.891 -1.744 1.00 0.00 O +ATOM 95 CB ASN A 6 -1.962 -7.912 -3.734 1.00 0.00 C +ATOM 96 CG ASN A 6 -1.355 -9.268 -4.094 1.00 0.00 C +ATOM 97 OD1 ASN A 6 -2.032 -10.172 -4.554 1.00 0.00 O +ATOM 98 ND2 ASN A 6 -0.062 -9.440 -3.921 1.00 0.00 N +ATOM 99 H ASN A 6 -3.898 -6.372 -2.204 1.00 0.00 H +ATOM 100 HA ASN A 6 -2.900 -8.437 -1.904 1.00 0.00 H +ATOM 101 HB2 ASN A 6 -2.924 -7.857 -4.244 1.00 0.00 H +ATOM 102 HB3 ASN A 6 -1.328 -7.126 -4.140 1.00 0.00 H +ATOM 103 HD21 ASN A 6 0.425 -8.757 -3.339 1.00 0.00 H +ATOM 104 HD22 ASN A 6 0.316 -10.337 -4.166 1.00 0.00 H +ATOM 105 N GLY A 7 -1.236 -7.981 -0.004 1.00 0.00 N +ATOM 106 CA GLY A 7 -0.252 -8.296 1.033 1.00 0.00 C +ATOM 107 C GLY A 7 0.544 -7.122 1.603 1.00 0.00 C +ATOM 108 O GLY A 7 1.277 -7.323 2.571 1.00 0.00 O +ATOM 109 H GLY A 7 -2.201 -7.911 0.278 1.00 0.00 H +ATOM 110 HA2 GLY A 7 -0.771 -8.772 1.865 1.00 0.00 H +ATOM 111 HA3 GLY A 7 0.479 -8.984 0.621 1.00 0.00 H +ATOM 112 N LYS A 8 0.374 -5.907 1.068 1.00 0.00 N +ATOM 113 CA LYS A 8 1.122 -4.719 1.489 1.00 0.00 C +ATOM 114 C LYS A 8 0.265 -3.453 1.433 1.00 0.00 C +ATOM 115 O LYS A 8 -0.895 -3.471 1.018 1.00 0.00 O +ATOM 116 CB LYS A 8 2.394 -4.604 0.623 1.00 0.00 C +ATOM 117 CG LYS A 8 2.083 -4.270 -0.846 1.00 0.00 C +ATOM 118 CD LYS A 8 3.350 -4.320 -1.703 1.00 0.00 C +ATOM 119 CE LYS A 8 3.042 -4.167 -3.195 1.00 0.00 C +ATOM 120 NZ LYS A 8 2.294 -5.321 -3.728 1.00 0.00 N +ATOM 121 H LYS A 8 -0.251 -5.802 0.275 1.00 0.00 H +ATOM 122 HA LYS A 8 1.429 -4.851 2.529 1.00 0.00 H +ATOM 123 HB2 LYS A 8 3.055 -3.839 1.032 1.00 0.00 H +ATOM 124 HB3 LYS A 8 2.928 -5.556 0.663 1.00 0.00 H +ATOM 125 HG2 LYS A 8 1.373 -4.998 -1.230 1.00 0.00 H +ATOM 126 HG3 LYS A 8 1.645 -3.272 -0.917 1.00 0.00 H +ATOM 127 HD2 LYS A 8 4.017 -3.514 -1.396 1.00 0.00 H +ATOM 128 HD3 LYS A 8 3.860 -5.272 -1.546 1.00 0.00 H +ATOM 129 HE2 LYS A 8 2.469 -3.255 -3.361 1.00 0.00 H +ATOM 130 HE3 LYS A 8 3.989 -4.090 -3.731 1.00 0.00 H +ATOM 131 HZ1 LYS A 8 2.375 -5.340 -4.734 1.00 0.00 H +ATOM 132 HZ2 LYS A 8 2.674 -6.174 -3.343 1.00 0.00 H +ATOM 133 HZ3 LYS A 8 1.321 -5.243 -3.468 1.00 0.00 H +ATOM 134 N TRP A 9 0.874 -2.333 1.821 1.00 0.00 N +ATOM 135 CA TRP A 9 0.326 -0.993 1.642 1.00 0.00 C +ATOM 136 C TRP A 9 0.995 -0.303 0.451 1.00 0.00 C +ATOM 137 O TRP A 9 2.213 -0.383 0.297 1.00 0.00 O +ATOM 138 CB TRP A 9 0.549 -0.173 2.915 1.00 0.00 C +ATOM 139 CG TRP A 9 -0.230 -0.608 4.114 1.00 0.00 C +ATOM 140 CD1 TRP A 9 0.202 -1.452 5.080 1.00 0.00 C +ATOM 141 CD2 TRP A 9 -1.548 -0.148 4.536 1.00 0.00 C +ATOM 142 NE1 TRP A 9 -0.720 -1.477 6.107 1.00 0.00 N +ATOM 143 CE2 TRP A 9 -1.773 -0.620 5.861 1.00 0.00 C +ATOM 144 CE3 TRP A 9 -2.543 0.674 3.962 1.00 0.00 C +ATOM 145 CZ2 TRP A 9 -2.876 -0.209 6.623 1.00 0.00 C +ATOM 146 CZ3 TRP A 9 -3.670 1.068 4.705 1.00 0.00 C +ATOM 147 CH2 TRP A 9 -3.824 0.650 6.039 1.00 0.00 C +ATOM 148 H TRP A 9 1.835 -2.400 2.114 1.00 0.00 H +ATOM 149 HA TRP A 9 -0.747 -1.052 1.456 1.00 0.00 H +ATOM 150 HB2 TRP A 9 1.611 -0.148 3.176 1.00 0.00 H +ATOM 151 HB3 TRP A 9 0.260 0.857 2.707 1.00 0.00 H +ATOM 152 HD1 TRP A 9 1.151 -1.972 5.071 1.00 0.00 H +ATOM 153 HE1 TRP A 9 -0.599 -2.013 6.956 1.00 0.00 H +ATOM 154 HE3 TRP A 9 -2.438 1.037 2.953 1.00 0.00 H +ATOM 155 HZ2 TRP A 9 -2.995 -0.553 7.640 1.00 0.00 H +ATOM 156 HZ3 TRP A 9 -4.406 1.718 4.254 1.00 0.00 H +ATOM 157 HH2 TRP A 9 -4.680 0.980 6.610 1.00 0.00 H +ATOM 158 N THR A 10 0.208 0.439 -0.333 1.00 0.00 N +ATOM 159 CA THR A 10 0.666 1.300 -1.438 1.00 0.00 C +ATOM 160 C THR A 10 0.123 2.723 -1.277 1.00 0.00 C +ATOM 161 O THR A 10 -0.970 2.939 -0.748 1.00 0.00 O +ATOM 162 CB THR A 10 0.290 0.682 -2.795 1.00 0.00 C +ATOM 163 OG1 THR A 10 0.921 1.405 -3.828 1.00 0.00 O +ATOM 164 CG2 THR A 10 -1.210 0.633 -3.088 1.00 0.00 C +ATOM 165 H THR A 10 -0.792 0.442 -0.127 1.00 0.00 H +ATOM 166 HA THR A 10 1.755 1.372 -1.429 1.00 0.00 H +ATOM 167 HB THR A 10 0.676 -0.340 -2.815 1.00 0.00 H +ATOM 168 HG1 THR A 10 0.381 2.170 -4.054 1.00 0.00 H +ATOM 169 HG21 THR A 10 -1.615 1.637 -3.217 1.00 0.00 H +ATOM 170 HG22 THR A 10 -1.379 0.056 -3.999 1.00 0.00 H +ATOM 171 HG23 THR A 10 -1.729 0.142 -2.266 1.00 0.00 H +ATOM 172 N TRP A 11 0.917 3.714 -1.692 1.00 0.00 N +ATOM 173 CA TRP A 11 0.513 5.121 -1.720 1.00 0.00 C +ATOM 174 C TRP A 11 -0.327 5.413 -2.973 1.00 0.00 C +ATOM 175 O TRP A 11 -0.069 4.854 -4.042 1.00 0.00 O +ATOM 176 CB TRP A 11 1.760 6.011 -1.660 1.00 0.00 C +ATOM 177 CG TRP A 11 1.481 7.481 -1.704 1.00 0.00 C +ATOM 178 CD1 TRP A 11 1.377 8.237 -2.821 1.00 0.00 C +ATOM 179 CD2 TRP A 11 1.229 8.380 -0.588 1.00 0.00 C +ATOM 180 NE1 TRP A 11 1.072 9.538 -2.468 1.00 0.00 N +ATOM 181 CE2 TRP A 11 0.996 9.691 -1.098 1.00 0.00 C +ATOM 182 CE3 TRP A 11 1.174 8.212 0.810 1.00 0.00 C +ATOM 183 CZ2 TRP A 11 0.756 10.792 -0.260 1.00 0.00 C +ATOM 184 CZ3 TRP A 11 0.910 9.298 1.658 1.00 0.00 C +ATOM 185 CH2 TRP A 11 0.722 10.589 1.133 1.00 0.00 C +ATOM 186 H TRP A 11 1.797 3.469 -2.123 1.00 0.00 H +ATOM 187 HA TRP A 11 -0.086 5.348 -0.837 1.00 0.00 H +ATOM 188 HB2 TRP A 11 2.282 5.795 -0.726 1.00 0.00 H +ATOM 189 HB3 TRP A 11 2.441 5.764 -2.473 1.00 0.00 H +ATOM 190 HD1 TRP A 11 1.490 7.862 -3.830 1.00 0.00 H +ATOM 191 HE1 TRP A 11 0.895 10.273 -3.137 1.00 0.00 H +ATOM 192 HE3 TRP A 11 1.344 7.232 1.226 1.00 0.00 H +ATOM 193 HZ2 TRP A 11 0.603 11.774 -0.682 1.00 0.00 H +ATOM 194 HZ3 TRP A 11 0.867 9.124 2.719 1.00 0.00 H +ATOM 195 HH2 TRP A 11 0.555 11.413 1.810 1.00 0.00 H +ATOM 196 N LYS A 12 -1.295 6.331 -2.848 1.00 0.00 N +ATOM 197 CA LYS A 12 -2.222 6.743 -3.908 1.00 0.00 C +ATOM 198 C LYS A 12 -2.358 8.272 -3.921 1.00 0.00 C +ATOM 199 O LYS A 12 -2.254 8.934 -2.893 1.00 0.00 O +ATOM 200 CB LYS A 12 -3.558 6.007 -3.661 1.00 0.00 C +ATOM 201 CG LYS A 12 -4.357 5.694 -4.939 1.00 0.00 C +ATOM 202 CD LYS A 12 -5.360 4.542 -4.729 1.00 0.00 C +ATOM 203 CE LYS A 12 -4.712 3.159 -4.545 1.00 0.00 C +ATOM 204 NZ LYS A 12 -3.952 2.735 -5.732 1.00 0.00 N +ATOM 205 H LYS A 12 -1.467 6.720 -1.920 1.00 0.00 H +ATOM 206 HA LYS A 12 -1.811 6.429 -4.868 1.00 0.00 H +ATOM 207 HB2 LYS A 12 -3.335 5.062 -3.169 1.00 0.00 H +ATOM 208 HB3 LYS A 12 -4.181 6.588 -2.978 1.00 0.00 H +ATOM 209 HG2 LYS A 12 -4.904 6.587 -5.240 1.00 0.00 H +ATOM 210 HG3 LYS A 12 -3.676 5.426 -5.747 1.00 0.00 H +ATOM 211 HD2 LYS A 12 -5.974 4.757 -3.852 1.00 0.00 H +ATOM 212 HD3 LYS A 12 -6.023 4.491 -5.593 1.00 0.00 H +ATOM 213 HE2 LYS A 12 -4.046 3.170 -3.682 1.00 0.00 H +ATOM 214 HE3 LYS A 12 -5.501 2.429 -4.360 1.00 0.00 H +ATOM 215 HZ1 LYS A 12 -4.487 2.944 -6.563 1.00 0.00 H +ATOM 216 HZ2 LYS A 12 -3.075 3.234 -5.763 1.00 0.00 H +ATOM 217 HZ3 LYS A 12 -3.775 1.741 -5.686 1.00 0.00 H +TER 218 LYS A 12 +HETATM 219 N NH2 A 13 -2.588 8.869 -5.082 1.00 0.00 N +HETATM 220 HN1 NH2 A 13 -2.675 8.341 -5.935 1.00 0.00 H +HETATM 221 HN2 NH2 A 13 -2.627 9.876 -5.075 1.00 0.00 H +ENDMDL +MODEL 14 +ATOM 1 N SER A 1 -1.736 8.982 2.943 1.00 0.00 N +ATOM 2 CA SER A 1 -2.767 8.421 2.056 1.00 0.00 C +ATOM 3 C SER A 1 -2.252 7.134 1.426 1.00 0.00 C +ATOM 4 O SER A 1 -1.735 7.086 0.308 1.00 0.00 O +ATOM 5 CB SER A 1 -3.246 9.443 1.027 1.00 0.00 C +ATOM 6 OG SER A 1 -4.184 8.861 0.149 1.00 0.00 O +ATOM 7 HA SER A 1 -3.625 8.159 2.675 1.00 0.00 H +ATOM 8 HB2 SER A 1 -3.728 10.271 1.549 1.00 0.00 H +ATOM 9 HB3 SER A 1 -2.396 9.819 0.460 1.00 0.00 H +ATOM 10 HG SER A 1 -3.865 9.043 -0.775 1.00 0.00 H +ATOM 11 H1 SER A 1 -2.060 9.846 3.354 1.00 0.00 H +ATOM 12 H2 SER A 1 -0.896 9.153 2.408 1.00 0.00 H +ATOM 13 H3 SER A 1 -1.529 8.319 3.676 1.00 0.00 H +ATOM 14 N TRP A 2 -2.410 6.070 2.207 1.00 0.00 N +ATOM 15 CA TRP A 2 -2.040 4.699 1.902 1.00 0.00 C +ATOM 16 C TRP A 2 -3.304 3.852 1.801 1.00 0.00 C +ATOM 17 O TRP A 2 -4.204 4.003 2.625 1.00 0.00 O +ATOM 18 CB TRP A 2 -1.158 4.186 3.052 1.00 0.00 C +ATOM 19 CG TRP A 2 0.208 4.789 3.115 1.00 0.00 C +ATOM 20 CD1 TRP A 2 0.635 5.767 3.949 1.00 0.00 C +ATOM 21 CD2 TRP A 2 1.368 4.393 2.332 1.00 0.00 C +ATOM 22 NE1 TRP A 2 1.985 5.989 3.741 1.00 0.00 N +ATOM 23 CE2 TRP A 2 2.496 5.136 2.782 1.00 0.00 C +ATOM 24 CE3 TRP A 2 1.576 3.438 1.318 1.00 0.00 C +ATOM 25 CZ2 TRP A 2 3.782 4.925 2.261 1.00 0.00 C +ATOM 26 CZ3 TRP A 2 2.858 3.218 0.782 1.00 0.00 C +ATOM 27 CH2 TRP A 2 3.960 3.954 1.258 1.00 0.00 C +ATOM 28 H TRP A 2 -2.879 6.201 3.090 1.00 0.00 H +ATOM 29 HA TRP A 2 -1.492 4.652 0.961 1.00 0.00 H +ATOM 30 HB2 TRP A 2 -1.668 4.348 4.004 1.00 0.00 H +ATOM 31 HB3 TRP A 2 -1.027 3.105 2.966 1.00 0.00 H +ATOM 32 HD1 TRP A 2 0.026 6.276 4.686 1.00 0.00 H +ATOM 33 HE1 TRP A 2 2.525 6.671 4.254 1.00 0.00 H +ATOM 34 HE3 TRP A 2 0.730 2.862 0.979 1.00 0.00 H +ATOM 35 HZ2 TRP A 2 4.619 5.501 2.626 1.00 0.00 H +ATOM 36 HZ3 TRP A 2 3.000 2.477 0.009 1.00 0.00 H +ATOM 37 HH2 TRP A 2 4.943 3.768 0.849 1.00 0.00 H +ATOM 38 N THR A 3 -3.373 2.956 0.813 1.00 0.00 N +ATOM 39 CA THR A 3 -4.403 1.908 0.771 1.00 0.00 C +ATOM 40 C THR A 3 -3.771 0.530 0.551 1.00 0.00 C +ATOM 41 O THR A 3 -2.599 0.407 0.182 1.00 0.00 O +ATOM 42 CB THR A 3 -5.551 2.246 -0.194 1.00 0.00 C +ATOM 43 OG1 THR A 3 -6.518 1.223 -0.115 1.00 0.00 O +ATOM 44 CG2 THR A 3 -5.132 2.425 -1.653 1.00 0.00 C +ATOM 45 H THR A 3 -2.601 2.892 0.149 1.00 0.00 H +ATOM 46 HA THR A 3 -4.867 1.838 1.756 1.00 0.00 H +ATOM 47 HB THR A 3 -6.024 3.171 0.143 1.00 0.00 H +ATOM 48 HG1 THR A 3 -7.214 1.418 -0.748 1.00 0.00 H +ATOM 49 HG21 THR A 3 -6.015 2.439 -2.293 1.00 0.00 H +ATOM 50 HG22 THR A 3 -4.607 3.374 -1.769 1.00 0.00 H +ATOM 51 HG23 THR A 3 -4.478 1.610 -1.962 1.00 0.00 H +ATOM 52 N TRP A 4 -4.506 -0.504 0.962 1.00 0.00 N +ATOM 53 CA TRP A 4 -4.039 -1.881 0.997 1.00 0.00 C +ATOM 54 C TRP A 4 -4.249 -2.585 -0.340 1.00 0.00 C +ATOM 55 O TRP A 4 -5.341 -2.564 -0.912 1.00 0.00 O +ATOM 56 CB TRP A 4 -4.767 -2.634 2.116 1.00 0.00 C +ATOM 57 CG TRP A 4 -4.527 -4.115 2.163 1.00 0.00 C +ATOM 58 CD1 TRP A 4 -5.311 -5.043 1.572 1.00 0.00 C +ATOM 59 CD2 TRP A 4 -3.460 -4.860 2.827 1.00 0.00 C +ATOM 60 NE1 TRP A 4 -4.838 -6.307 1.865 1.00 0.00 N +ATOM 61 CE2 TRP A 4 -3.725 -6.254 2.677 1.00 0.00 C +ATOM 62 CE3 TRP A 4 -2.309 -4.503 3.560 1.00 0.00 C +ATOM 63 CZ2 TRP A 4 -2.934 -7.241 3.285 1.00 0.00 C +ATOM 64 CZ3 TRP A 4 -1.490 -5.484 4.151 1.00 0.00 C +ATOM 65 CH2 TRP A 4 -1.813 -6.847 4.035 1.00 0.00 C +ATOM 66 H TRP A 4 -5.485 -0.313 1.138 1.00 0.00 H +ATOM 67 HA TRP A 4 -2.970 -1.873 1.197 1.00 0.00 H +ATOM 68 HB2 TRP A 4 -4.477 -2.205 3.077 1.00 0.00 H +ATOM 69 HB3 TRP A 4 -5.841 -2.475 2.001 1.00 0.00 H +ATOM 70 HD1 TRP A 4 -6.193 -4.813 0.986 1.00 0.00 H +ATOM 71 HE1 TRP A 4 -5.298 -7.152 1.556 1.00 0.00 H +ATOM 72 HE3 TRP A 4 -2.065 -3.456 3.667 1.00 0.00 H +ATOM 73 HZ2 TRP A 4 -3.183 -8.288 3.184 1.00 0.00 H +ATOM 74 HZ3 TRP A 4 -0.611 -5.187 4.706 1.00 0.00 H +ATOM 75 HH2 TRP A 4 -1.190 -7.588 4.515 1.00 0.00 H +ATOM 76 N GLU A 5 -3.213 -3.290 -0.789 1.00 0.00 N +ATOM 77 CA GLU A 5 -3.240 -4.102 -1.990 1.00 0.00 C +ATOM 78 C GLU A 5 -2.597 -5.465 -1.714 1.00 0.00 C +ATOM 79 O GLU A 5 -1.397 -5.508 -1.457 1.00 0.00 O +ATOM 80 CB GLU A 5 -2.524 -3.376 -3.141 1.00 0.00 C +ATOM 81 CG GLU A 5 -2.955 -4.035 -4.455 1.00 0.00 C +ATOM 82 CD GLU A 5 -2.387 -3.314 -5.673 1.00 0.00 C +ATOM 83 OE1 GLU A 5 -2.938 -2.242 -6.009 1.00 0.00 O +ATOM 84 OE2 GLU A 5 -1.419 -3.851 -6.256 1.00 0.00 O +ATOM 85 H GLU A 5 -2.361 -3.312 -0.228 1.00 0.00 H +ATOM 86 HA GLU A 5 -4.285 -4.225 -2.269 1.00 0.00 H +ATOM 87 HB2 GLU A 5 -2.805 -2.322 -3.152 1.00 0.00 H +ATOM 88 HB3 GLU A 5 -1.440 -3.444 -3.027 1.00 0.00 H +ATOM 89 HG2 GLU A 5 -2.623 -5.076 -4.459 1.00 0.00 H +ATOM 90 HG3 GLU A 5 -4.044 -4.028 -4.515 1.00 0.00 H +ATOM 91 N ASN A 6 -3.386 -6.554 -1.728 1.00 0.00 N +ATOM 92 CA ASN A 6 -2.948 -7.962 -1.706 1.00 0.00 C +ATOM 93 C ASN A 6 -1.579 -8.185 -1.013 1.00 0.00 C +ATOM 94 O ASN A 6 -0.568 -8.449 -1.669 1.00 0.00 O +ATOM 95 CB ASN A 6 -3.039 -8.517 -3.143 1.00 0.00 C +ATOM 96 CG ASN A 6 -2.753 -10.011 -3.251 1.00 0.00 C +ATOM 97 OD1 ASN A 6 -3.650 -10.836 -3.281 1.00 0.00 O +ATOM 98 ND2 ASN A 6 -1.496 -10.391 -3.309 1.00 0.00 N +ATOM 99 H ASN A 6 -4.358 -6.399 -1.950 1.00 0.00 H +ATOM 100 HA ASN A 6 -3.679 -8.516 -1.116 1.00 0.00 H +ATOM 101 HB2 ASN A 6 -4.048 -8.357 -3.522 1.00 0.00 H +ATOM 102 HB3 ASN A 6 -2.344 -7.975 -3.786 1.00 0.00 H +ATOM 103 HD21 ASN A 6 -0.795 -9.697 -3.050 1.00 0.00 H +ATOM 104 HD22 ASN A 6 -1.314 -11.377 -3.359 1.00 0.00 H +ATOM 105 N GLY A 7 -1.545 -8.059 0.321 1.00 0.00 N +ATOM 106 CA GLY A 7 -0.342 -8.270 1.133 1.00 0.00 C +ATOM 107 C GLY A 7 0.488 -7.015 1.459 1.00 0.00 C +ATOM 108 O GLY A 7 1.381 -7.117 2.297 1.00 0.00 O +ATOM 109 H GLY A 7 -2.396 -7.807 0.801 1.00 0.00 H +ATOM 110 HA2 GLY A 7 -0.628 -8.741 2.073 1.00 0.00 H +ATOM 111 HA3 GLY A 7 0.316 -8.969 0.615 1.00 0.00 H +ATOM 112 N LYS A 8 0.236 -5.857 0.826 1.00 0.00 N +ATOM 113 CA LYS A 8 1.089 -4.654 0.907 1.00 0.00 C +ATOM 114 C LYS A 8 0.264 -3.354 1.027 1.00 0.00 C +ATOM 115 O LYS A 8 -0.948 -3.346 0.823 1.00 0.00 O +ATOM 116 CB LYS A 8 1.988 -4.681 -0.353 1.00 0.00 C +ATOM 117 CG LYS A 8 3.144 -3.671 -0.431 1.00 0.00 C +ATOM 118 CD LYS A 8 4.244 -3.919 0.611 1.00 0.00 C +ATOM 119 CE LYS A 8 5.381 -2.912 0.422 1.00 0.00 C +ATOM 120 NZ LYS A 8 5.015 -1.574 0.920 1.00 0.00 N +ATOM 121 H LYS A 8 -0.494 -5.846 0.112 1.00 0.00 H +ATOM 122 HA LYS A 8 1.716 -4.734 1.795 1.00 0.00 H +ATOM 123 HB2 LYS A 8 2.427 -5.677 -0.447 1.00 0.00 H +ATOM 124 HB3 LYS A 8 1.353 -4.530 -1.228 1.00 0.00 H +ATOM 125 HG2 LYS A 8 3.595 -3.752 -1.420 1.00 0.00 H +ATOM 126 HG3 LYS A 8 2.767 -2.657 -0.341 1.00 0.00 H +ATOM 127 HD2 LYS A 8 3.848 -3.836 1.625 1.00 0.00 H +ATOM 128 HD3 LYS A 8 4.643 -4.924 0.471 1.00 0.00 H +ATOM 129 HE2 LYS A 8 6.259 -3.261 0.965 1.00 0.00 H +ATOM 130 HE3 LYS A 8 5.626 -2.849 -0.639 1.00 0.00 H +ATOM 131 HZ1 LYS A 8 4.214 -1.225 0.410 1.00 0.00 H +ATOM 132 HZ2 LYS A 8 4.788 -1.636 1.902 1.00 0.00 H +ATOM 133 HZ3 LYS A 8 5.793 -0.941 0.796 1.00 0.00 H +ATOM 134 N TRP A 9 0.927 -2.231 1.329 1.00 0.00 N +ATOM 135 CA TRP A 9 0.371 -0.871 1.264 1.00 0.00 C +ATOM 136 C TRP A 9 0.960 -0.101 0.070 1.00 0.00 C +ATOM 137 O TRP A 9 2.178 -0.075 -0.092 1.00 0.00 O +ATOM 138 CB TRP A 9 0.650 -0.108 2.573 1.00 0.00 C +ATOM 139 CG TRP A 9 -0.059 -0.607 3.796 1.00 0.00 C +ATOM 140 CD1 TRP A 9 0.500 -1.319 4.802 1.00 0.00 C +ATOM 141 CD2 TRP A 9 -1.433 -0.341 4.214 1.00 0.00 C +ATOM 142 NE1 TRP A 9 -0.445 -1.550 5.784 1.00 0.00 N +ATOM 143 CE2 TRP A 9 -1.638 -0.919 5.500 1.00 0.00 C +ATOM 144 CE3 TRP A 9 -2.500 0.404 3.671 1.00 0.00 C +ATOM 145 CZ2 TRP A 9 -2.844 -0.777 6.205 1.00 0.00 C +ATOM 146 CZ3 TRP A 9 -3.712 0.559 4.368 1.00 0.00 C +ATOM 147 CH2 TRP A 9 -3.887 -0.031 5.630 1.00 0.00 C +ATOM 148 H TRP A 9 1.919 -2.309 1.490 1.00 0.00 H +ATOM 149 HA TRP A 9 -0.709 -0.923 1.133 1.00 0.00 H +ATOM 150 HB2 TRP A 9 1.726 -0.065 2.775 1.00 0.00 H +ATOM 151 HB3 TRP A 9 0.331 0.923 2.426 1.00 0.00 H +ATOM 152 HD1 TRP A 9 1.530 -1.650 4.829 1.00 0.00 H +ATOM 153 HE1 TRP A 9 -0.262 -2.082 6.624 1.00 0.00 H +ATOM 154 HE3 TRP A 9 -2.358 0.901 2.727 1.00 0.00 H +ATOM 155 HZ2 TRP A 9 -2.974 -1.237 7.174 1.00 0.00 H +ATOM 156 HZ3 TRP A 9 -4.509 1.152 3.942 1.00 0.00 H +ATOM 157 HH2 TRP A 9 -4.821 0.100 6.158 1.00 0.00 H +ATOM 158 N THR A 10 0.102 0.588 -0.700 1.00 0.00 N +ATOM 159 CA THR A 10 0.439 1.485 -1.834 1.00 0.00 C +ATOM 160 C THR A 10 -0.049 2.916 -1.557 1.00 0.00 C +ATOM 161 O THR A 10 -1.110 3.107 -0.954 1.00 0.00 O +ATOM 162 CB THR A 10 -0.145 0.936 -3.147 1.00 0.00 C +ATOM 163 OG1 THR A 10 0.412 1.662 -4.217 1.00 0.00 O +ATOM 164 CG2 THR A 10 -1.671 1.003 -3.269 1.00 0.00 C +ATOM 165 H THR A 10 -0.889 0.516 -0.466 1.00 0.00 H +ATOM 166 HA THR A 10 1.520 1.524 -1.999 1.00 0.00 H +ATOM 167 HB THR A 10 0.163 -0.106 -3.246 1.00 0.00 H +ATOM 168 HG1 THR A 10 -0.146 2.425 -4.397 1.00 0.00 H +ATOM 169 HG21 THR A 10 -2.132 0.476 -2.435 1.00 0.00 H +ATOM 170 HG22 THR A 10 -2.018 2.037 -3.274 1.00 0.00 H +ATOM 171 HG23 THR A 10 -1.983 0.522 -4.198 1.00 0.00 H +ATOM 172 N TRP A 11 0.733 3.933 -1.945 1.00 0.00 N +ATOM 173 CA TRP A 11 0.368 5.348 -1.771 1.00 0.00 C +ATOM 174 C TRP A 11 -0.642 5.793 -2.836 1.00 0.00 C +ATOM 175 O TRP A 11 -0.588 5.343 -3.983 1.00 0.00 O +ATOM 176 CB TRP A 11 1.627 6.234 -1.807 1.00 0.00 C +ATOM 177 CG TRP A 11 1.418 7.719 -1.678 1.00 0.00 C +ATOM 178 CD1 TRP A 11 1.416 8.616 -2.693 1.00 0.00 C +ATOM 179 CD2 TRP A 11 1.269 8.506 -0.459 1.00 0.00 C +ATOM 180 NE1 TRP A 11 1.261 9.894 -2.186 1.00 0.00 N +ATOM 181 CE2 TRP A 11 1.203 9.887 -0.807 1.00 0.00 C +ATOM 182 CE3 TRP A 11 1.232 8.187 0.913 1.00 0.00 C +ATOM 183 CZ2 TRP A 11 1.137 10.904 0.160 1.00 0.00 C +ATOM 184 CZ3 TRP A 11 1.194 9.195 1.893 1.00 0.00 C +ATOM 185 CH2 TRP A 11 1.155 10.551 1.522 1.00 0.00 C +ATOM 186 H TRP A 11 1.576 3.726 -2.462 1.00 0.00 H +ATOM 187 HA TRP A 11 -0.098 5.468 -0.794 1.00 0.00 H +ATOM 188 HB2 TRP A 11 2.274 5.925 -0.986 1.00 0.00 H +ATOM 189 HB3 TRP A 11 2.174 6.050 -2.730 1.00 0.00 H +ATOM 190 HD1 TRP A 11 1.550 8.367 -3.739 1.00 0.00 H +ATOM 191 HE1 TRP A 11 1.268 10.731 -2.752 1.00 0.00 H +ATOM 192 HE3 TRP A 11 1.266 7.147 1.198 1.00 0.00 H +ATOM 193 HZ2 TRP A 11 1.102 11.942 -0.140 1.00 0.00 H +ATOM 194 HZ3 TRP A 11 1.205 8.917 2.934 1.00 0.00 H +ATOM 195 HH2 TRP A 11 1.155 11.318 2.285 1.00 0.00 H +ATOM 196 N LYS A 12 -1.521 6.728 -2.460 1.00 0.00 N +ATOM 197 CA LYS A 12 -2.590 7.283 -3.292 1.00 0.00 C +ATOM 198 C LYS A 12 -2.655 8.803 -3.110 1.00 0.00 C +ATOM 199 O LYS A 12 -3.244 9.306 -2.155 1.00 0.00 O +ATOM 200 CB LYS A 12 -3.908 6.574 -2.941 1.00 0.00 C +ATOM 201 CG LYS A 12 -5.014 6.916 -3.947 1.00 0.00 C +ATOM 202 CD LYS A 12 -6.348 6.276 -3.549 1.00 0.00 C +ATOM 203 CE LYS A 12 -7.372 6.572 -4.647 1.00 0.00 C +ATOM 204 NZ LYS A 12 -8.718 6.100 -4.282 1.00 0.00 N +ATOM 205 H LYS A 12 -1.506 7.005 -1.478 1.00 0.00 H +ATOM 206 HA LYS A 12 -2.365 7.073 -4.340 1.00 0.00 H +ATOM 207 HB2 LYS A 12 -3.747 5.495 -2.964 1.00 0.00 H +ATOM 208 HB3 LYS A 12 -4.223 6.851 -1.933 1.00 0.00 H +ATOM 209 HG2 LYS A 12 -5.147 7.998 -4.003 1.00 0.00 H +ATOM 210 HG3 LYS A 12 -4.721 6.547 -4.931 1.00 0.00 H +ATOM 211 HD2 LYS A 12 -6.228 5.196 -3.449 1.00 0.00 H +ATOM 212 HD3 LYS A 12 -6.687 6.691 -2.598 1.00 0.00 H +ATOM 213 HE2 LYS A 12 -7.408 7.647 -4.825 1.00 0.00 H +ATOM 214 HE3 LYS A 12 -7.056 6.072 -5.563 1.00 0.00 H +ATOM 215 HZ1 LYS A 12 -9.082 6.672 -3.534 1.00 0.00 H +ATOM 216 HZ2 LYS A 12 -9.325 6.173 -5.086 1.00 0.00 H +ATOM 217 HZ3 LYS A 12 -8.670 5.138 -3.982 1.00 0.00 H +TER 218 LYS A 12 +HETATM 219 N NH2 A 13 -2.027 9.550 -4.008 1.00 0.00 N +HETATM 220 HN1 NH2 A 13 -1.548 9.120 -4.781 1.00 0.00 H +HETATM 221 HN2 NH2 A 13 -2.037 10.550 -3.879 1.00 0.00 H +ENDMDL +MODEL 15 +ATOM 1 N SER A 1 -2.373 8.824 -0.476 1.00 0.00 N +ATOM 2 CA SER A 1 -2.855 8.133 0.735 1.00 0.00 C +ATOM 3 C SER A 1 -2.612 6.621 0.658 1.00 0.00 C +ATOM 4 O SER A 1 -2.575 6.019 -0.419 1.00 0.00 O +ATOM 5 CB SER A 1 -4.312 8.509 1.026 1.00 0.00 C +ATOM 6 OG SER A 1 -5.174 8.151 -0.035 1.00 0.00 O +ATOM 7 HA SER A 1 -2.259 8.502 1.568 1.00 0.00 H +ATOM 8 HB2 SER A 1 -4.643 8.030 1.948 1.00 0.00 H +ATOM 9 HB3 SER A 1 -4.367 9.592 1.161 1.00 0.00 H +ATOM 10 HG SER A 1 -6.040 8.540 0.129 1.00 0.00 H +ATOM 11 H1 SER A 1 -2.375 9.821 -0.314 1.00 0.00 H +ATOM 12 H2 SER A 1 -2.982 8.609 -1.253 1.00 0.00 H +ATOM 13 H3 SER A 1 -1.433 8.520 -0.687 1.00 0.00 H +ATOM 14 N TRP A 2 -2.259 6.009 1.791 1.00 0.00 N +ATOM 15 CA TRP A 2 -2.007 4.573 1.855 1.00 0.00 C +ATOM 16 C TRP A 2 -3.264 3.709 1.715 1.00 0.00 C +ATOM 17 O TRP A 2 -4.230 3.874 2.446 1.00 0.00 O +ATOM 18 CB TRP A 2 -1.228 4.246 3.131 1.00 0.00 C +ATOM 19 CG TRP A 2 0.158 4.811 3.131 1.00 0.00 C +ATOM 20 CD1 TRP A 2 0.609 5.833 3.897 1.00 0.00 C +ATOM 21 CD2 TRP A 2 1.297 4.373 2.331 1.00 0.00 C +ATOM 22 NE1 TRP A 2 1.939 6.076 3.600 1.00 0.00 N +ATOM 23 CE2 TRP A 2 2.411 5.205 2.638 1.00 0.00 C +ATOM 24 CE3 TRP A 2 1.506 3.331 1.402 1.00 0.00 C +ATOM 25 CZ2 TRP A 2 3.656 5.054 2.010 1.00 0.00 C +ATOM 26 CZ3 TRP A 2 2.764 3.135 0.799 1.00 0.00 C +ATOM 27 CH2 TRP A 2 3.831 4.008 1.084 1.00 0.00 C +ATOM 28 H TRP A 2 -2.179 6.543 2.643 1.00 0.00 H +ATOM 29 HA TRP A 2 -1.408 4.334 0.986 1.00 0.00 H +ATOM 30 HB2 TRP A 2 -1.778 4.614 3.998 1.00 0.00 H +ATOM 31 HB3 TRP A 2 -1.148 3.161 3.227 1.00 0.00 H +ATOM 32 HD1 TRP A 2 0.019 6.381 4.618 1.00 0.00 H +ATOM 33 HE1 TRP A 2 2.491 6.793 4.047 1.00 0.00 H +ATOM 34 HE3 TRP A 2 0.688 2.662 1.190 1.00 0.00 H +ATOM 35 HZ2 TRP A 2 4.466 5.730 2.236 1.00 0.00 H +ATOM 36 HZ3 TRP A 2 2.923 2.304 0.128 1.00 0.00 H +ATOM 37 HH2 TRP A 2 4.789 3.865 0.604 1.00 0.00 H +ATOM 38 N THR A 3 -3.211 2.769 0.763 1.00 0.00 N +ATOM 39 CA THR A 3 -4.254 1.790 0.427 1.00 0.00 C +ATOM 40 C THR A 3 -3.681 0.370 0.524 1.00 0.00 C +ATOM 41 O THR A 3 -2.538 0.129 0.130 1.00 0.00 O +ATOM 42 CB THR A 3 -4.792 2.075 -0.985 1.00 0.00 C +ATOM 43 OG1 THR A 3 -5.222 3.416 -1.056 1.00 0.00 O +ATOM 44 CG2 THR A 3 -5.990 1.199 -1.351 1.00 0.00 C +ATOM 45 H THR A 3 -2.360 2.709 0.210 1.00 0.00 H +ATOM 46 HA THR A 3 -5.090 1.879 1.128 1.00 0.00 H +ATOM 47 HB THR A 3 -3.994 1.919 -1.712 1.00 0.00 H +ATOM 48 HG1 THR A 3 -4.590 3.948 -0.566 1.00 0.00 H +ATOM 49 HG21 THR A 3 -6.431 1.559 -2.281 1.00 0.00 H +ATOM 50 HG22 THR A 3 -5.674 0.165 -1.490 1.00 0.00 H +ATOM 51 HG23 THR A 3 -6.742 1.252 -0.562 1.00 0.00 H +ATOM 52 N TRP A 4 -4.462 -0.555 1.092 1.00 0.00 N +ATOM 53 CA TRP A 4 -4.116 -1.968 1.270 1.00 0.00 C +ATOM 54 C TRP A 4 -4.420 -2.802 0.016 1.00 0.00 C +ATOM 55 O TRP A 4 -5.556 -2.863 -0.462 1.00 0.00 O +ATOM 56 CB TRP A 4 -4.853 -2.528 2.499 1.00 0.00 C +ATOM 57 CG TRP A 4 -4.757 -4.015 2.685 1.00 0.00 C +ATOM 58 CD1 TRP A 4 -5.690 -4.909 2.288 1.00 0.00 C +ATOM 59 CD2 TRP A 4 -3.689 -4.805 3.295 1.00 0.00 C +ATOM 60 NE1 TRP A 4 -5.258 -6.190 2.567 1.00 0.00 N +ATOM 61 CE2 TRP A 4 -4.031 -6.183 3.191 1.00 0.00 C +ATOM 62 CE3 TRP A 4 -2.469 -4.499 3.933 1.00 0.00 C +ATOM 63 CZ2 TRP A 4 -3.197 -7.203 3.670 1.00 0.00 C +ATOM 64 CZ3 TRP A 4 -1.642 -5.509 4.456 1.00 0.00 C +ATOM 65 CH2 TRP A 4 -2.001 -6.859 4.319 1.00 0.00 C +ATOM 66 H TRP A 4 -5.388 -0.278 1.383 1.00 0.00 H +ATOM 67 HA TRP A 4 -3.044 -2.040 1.453 1.00 0.00 H +ATOM 68 HB2 TRP A 4 -4.457 -2.047 3.392 1.00 0.00 H +ATOM 69 HB3 TRP A 4 -5.910 -2.265 2.426 1.00 0.00 H +ATOM 70 HD1 TRP A 4 -6.625 -4.644 1.807 1.00 0.00 H +ATOM 71 HE1 TRP A 4 -5.790 -7.019 2.344 1.00 0.00 H +ATOM 72 HE3 TRP A 4 -2.173 -3.461 4.016 1.00 0.00 H +ATOM 73 HZ2 TRP A 4 -3.484 -8.240 3.557 1.00 0.00 H +ATOM 74 HZ3 TRP A 4 -0.717 -5.249 4.952 1.00 0.00 H +ATOM 75 HH2 TRP A 4 -1.352 -7.631 4.713 1.00 0.00 H +ATOM 76 N GLU A 5 -3.402 -3.506 -0.481 1.00 0.00 N +ATOM 77 CA GLU A 5 -3.483 -4.284 -1.703 1.00 0.00 C +ATOM 78 C GLU A 5 -2.604 -5.532 -1.556 1.00 0.00 C +ATOM 79 O GLU A 5 -1.509 -5.421 -1.014 1.00 0.00 O +ATOM 80 CB GLU A 5 -2.964 -3.410 -2.860 1.00 0.00 C +ATOM 81 CG GLU A 5 -3.207 -3.987 -4.259 1.00 0.00 C +ATOM 82 CD GLU A 5 -2.769 -2.997 -5.341 1.00 0.00 C +ATOM 83 OE1 GLU A 5 -3.485 -1.987 -5.517 1.00 0.00 O +ATOM 84 OE2 GLU A 5 -1.719 -3.262 -5.967 1.00 0.00 O +ATOM 85 H GLU A 5 -2.506 -3.506 0.009 1.00 0.00 H +ATOM 86 HA GLU A 5 -4.538 -4.502 -1.856 1.00 0.00 H +ATOM 87 HB2 GLU A 5 -3.444 -2.434 -2.809 1.00 0.00 H +ATOM 88 HB3 GLU A 5 -1.890 -3.270 -2.736 1.00 0.00 H +ATOM 89 HG2 GLU A 5 -2.626 -4.897 -4.362 1.00 0.00 H +ATOM 90 HG3 GLU A 5 -4.262 -4.231 -4.393 1.00 0.00 H +ATOM 91 N ASN A 6 -3.025 -6.694 -2.069 1.00 0.00 N +ATOM 92 CA ASN A 6 -2.204 -7.906 -2.249 1.00 0.00 C +ATOM 93 C ASN A 6 -1.276 -8.355 -1.079 1.00 0.00 C +ATOM 94 O ASN A 6 -0.338 -9.109 -1.327 1.00 0.00 O +ATOM 95 CB ASN A 6 -1.447 -7.742 -3.589 1.00 0.00 C +ATOM 96 CG ASN A 6 -2.362 -7.463 -4.780 1.00 0.00 C +ATOM 97 OD1 ASN A 6 -3.564 -7.682 -4.749 1.00 0.00 O +ATOM 98 ND2 ASN A 6 -1.833 -6.928 -5.863 1.00 0.00 N +ATOM 99 H ASN A 6 -3.896 -6.699 -2.582 1.00 0.00 H +ATOM 100 HA ASN A 6 -2.894 -8.739 -2.384 1.00 0.00 H +ATOM 101 HB2 ASN A 6 -0.737 -6.920 -3.489 1.00 0.00 H +ATOM 102 HB3 ASN A 6 -0.891 -8.652 -3.807 1.00 0.00 H +ATOM 103 HD21 ASN A 6 -0.862 -6.681 -5.933 1.00 0.00 H +ATOM 104 HD22 ASN A 6 -2.503 -6.728 -6.586 1.00 0.00 H +ATOM 105 N GLY A 7 -1.516 -7.935 0.173 1.00 0.00 N +ATOM 106 CA GLY A 7 -0.675 -8.237 1.348 1.00 0.00 C +ATOM 107 C GLY A 7 0.262 -7.101 1.790 1.00 0.00 C +ATOM 108 O GLY A 7 1.079 -7.313 2.684 1.00 0.00 O +ATOM 109 H GLY A 7 -2.246 -7.245 0.274 1.00 0.00 H +ATOM 110 HA2 GLY A 7 -1.313 -8.498 2.192 1.00 0.00 H +ATOM 111 HA3 GLY A 7 -0.054 -9.117 1.167 1.00 0.00 H +ATOM 112 N LYS A 8 0.182 -5.923 1.157 1.00 0.00 N +ATOM 113 CA LYS A 8 1.024 -4.749 1.410 1.00 0.00 C +ATOM 114 C LYS A 8 0.185 -3.465 1.419 1.00 0.00 C +ATOM 115 O LYS A 8 -1.030 -3.458 1.209 1.00 0.00 O +ATOM 116 CB LYS A 8 2.143 -4.673 0.336 1.00 0.00 C +ATOM 117 CG LYS A 8 3.538 -4.340 0.908 1.00 0.00 C +ATOM 118 CD LYS A 8 4.559 -4.044 -0.206 1.00 0.00 C +ATOM 119 CE LYS A 8 5.980 -3.894 0.357 1.00 0.00 C +ATOM 120 NZ LYS A 8 6.962 -3.535 -0.685 1.00 0.00 N +ATOM 121 H LYS A 8 -0.526 -5.816 0.432 1.00 0.00 H +ATOM 122 HA LYS A 8 1.474 -4.854 2.401 1.00 0.00 H +ATOM 123 HB2 LYS A 8 2.216 -5.627 -0.186 1.00 0.00 H +ATOM 124 HB3 LYS A 8 1.873 -3.920 -0.409 1.00 0.00 H +ATOM 125 HG2 LYS A 8 3.476 -3.470 1.563 1.00 0.00 H +ATOM 126 HG3 LYS A 8 3.883 -5.192 1.495 1.00 0.00 H +ATOM 127 HD2 LYS A 8 4.553 -4.857 -0.933 1.00 0.00 H +ATOM 128 HD3 LYS A 8 4.276 -3.117 -0.711 1.00 0.00 H +ATOM 129 HE2 LYS A 8 5.982 -3.115 1.120 1.00 0.00 H +ATOM 130 HE3 LYS A 8 6.283 -4.835 0.814 1.00 0.00 H +ATOM 131 HZ1 LYS A 8 7.875 -3.427 -0.265 1.00 0.00 H +ATOM 132 HZ2 LYS A 8 7.004 -4.264 -1.383 1.00 0.00 H +ATOM 133 HZ3 LYS A 8 6.695 -2.666 -1.123 1.00 0.00 H +ATOM 134 N TRP A 9 0.887 -2.355 1.615 1.00 0.00 N +ATOM 135 CA TRP A 9 0.395 -0.996 1.465 1.00 0.00 C +ATOM 136 C TRP A 9 1.015 -0.352 0.213 1.00 0.00 C +ATOM 137 O TRP A 9 2.194 -0.555 -0.074 1.00 0.00 O +ATOM 138 CB TRP A 9 0.757 -0.220 2.739 1.00 0.00 C +ATOM 139 CG TRP A 9 0.022 -0.642 3.977 1.00 0.00 C +ATOM 140 CD1 TRP A 9 0.527 -1.375 4.998 1.00 0.00 C +ATOM 141 CD2 TRP A 9 -1.351 -0.324 4.354 1.00 0.00 C +ATOM 142 NE1 TRP A 9 -0.414 -1.467 6.008 1.00 0.00 N +ATOM 143 CE2 TRP A 9 -1.582 -0.815 5.674 1.00 0.00 C +ATOM 144 CE3 TRP A 9 -2.416 0.350 3.725 1.00 0.00 C +ATOM 145 CZ2 TRP A 9 -2.791 -0.599 6.353 1.00 0.00 C +ATOM 146 CZ3 TRP A 9 -3.639 0.561 4.389 1.00 0.00 C +ATOM 147 CH2 TRP A 9 -3.823 0.098 5.702 1.00 0.00 C +ATOM 148 H TRP A 9 1.878 -2.462 1.759 1.00 0.00 H +ATOM 149 HA TRP A 9 -0.690 -1.001 1.355 1.00 0.00 H +ATOM 150 HB2 TRP A 9 1.833 -0.283 2.925 1.00 0.00 H +ATOM 151 HB3 TRP A 9 0.529 0.831 2.579 1.00 0.00 H +ATOM 152 HD1 TRP A 9 1.529 -1.782 5.036 1.00 0.00 H +ATOM 153 HE1 TRP A 9 -0.245 -1.922 6.891 1.00 0.00 H +ATOM 154 HE3 TRP A 9 -2.301 0.713 2.719 1.00 0.00 H +ATOM 155 HZ2 TRP A 9 -2.927 -0.963 7.360 1.00 0.00 H +ATOM 156 HZ3 TRP A 9 -4.435 1.083 3.878 1.00 0.00 H +ATOM 157 HH2 TRP A 9 -4.765 0.271 6.203 1.00 0.00 H +ATOM 158 N THR A 10 0.233 0.470 -0.494 1.00 0.00 N +ATOM 159 CA THR A 10 0.654 1.309 -1.631 1.00 0.00 C +ATOM 160 C THR A 10 0.066 2.718 -1.495 1.00 0.00 C +ATOM 161 O THR A 10 -0.978 2.908 -0.869 1.00 0.00 O +ATOM 162 CB THR A 10 0.284 0.655 -2.978 1.00 0.00 C +ATOM 163 OG1 THR A 10 0.521 1.565 -4.027 1.00 0.00 O +ATOM 164 CG2 THR A 10 -1.168 0.186 -3.099 1.00 0.00 C +ATOM 165 H THR A 10 -0.751 0.532 -0.229 1.00 0.00 H +ATOM 166 HA THR A 10 1.741 1.408 -1.620 1.00 0.00 H +ATOM 167 HB THR A 10 0.933 -0.207 -3.129 1.00 0.00 H +ATOM 168 HG1 THR A 10 0.125 1.210 -4.827 1.00 0.00 H +ATOM 169 HG21 THR A 10 -1.403 -0.514 -2.297 1.00 0.00 H +ATOM 170 HG22 THR A 10 -1.849 1.035 -3.046 1.00 0.00 H +ATOM 171 HG23 THR A 10 -1.305 -0.335 -4.046 1.00 0.00 H +ATOM 172 N TRP A 11 0.774 3.738 -1.989 1.00 0.00 N +ATOM 173 CA TRP A 11 0.268 5.107 -2.059 1.00 0.00 C +ATOM 174 C TRP A 11 -0.684 5.256 -3.260 1.00 0.00 C +ATOM 175 O TRP A 11 -0.244 5.510 -4.379 1.00 0.00 O +ATOM 176 CB TRP A 11 1.455 6.082 -2.063 1.00 0.00 C +ATOM 177 CG TRP A 11 1.117 7.535 -1.947 1.00 0.00 C +ATOM 178 CD1 TRP A 11 0.948 8.402 -2.970 1.00 0.00 C +ATOM 179 CD2 TRP A 11 0.952 8.317 -0.729 1.00 0.00 C +ATOM 180 NE1 TRP A 11 0.713 9.670 -2.466 1.00 0.00 N +ATOM 181 CE2 TRP A 11 0.738 9.680 -1.086 1.00 0.00 C +ATOM 182 CE3 TRP A 11 0.973 8.002 0.645 1.00 0.00 C +ATOM 183 CZ2 TRP A 11 0.578 10.690 -0.123 1.00 0.00 C +ATOM 184 CZ3 TRP A 11 0.791 8.999 1.619 1.00 0.00 C +ATOM 185 CH2 TRP A 11 0.604 10.342 1.240 1.00 0.00 C +ATOM 186 H TRP A 11 1.640 3.533 -2.464 1.00 0.00 H +ATOM 187 HA TRP A 11 -0.310 5.303 -1.155 1.00 0.00 H +ATOM 188 HB2 TRP A 11 2.087 5.838 -1.207 1.00 0.00 H +ATOM 189 HB3 TRP A 11 2.068 5.929 -2.950 1.00 0.00 H +ATOM 190 HD1 TRP A 11 1.006 8.132 -4.017 1.00 0.00 H +ATOM 191 HE1 TRP A 11 0.556 10.480 -3.050 1.00 0.00 H +ATOM 192 HE3 TRP A 11 1.149 6.979 0.938 1.00 0.00 H +ATOM 193 HZ2 TRP A 11 0.430 11.717 -0.425 1.00 0.00 H +ATOM 194 HZ3 TRP A 11 0.816 8.726 2.663 1.00 0.00 H +ATOM 195 HH2 TRP A 11 0.481 11.104 1.997 1.00 0.00 H +ATOM 196 N LYS A 12 -1.993 5.065 -3.022 1.00 0.00 N +ATOM 197 CA LYS A 12 -3.065 5.060 -4.042 1.00 0.00 C +ATOM 198 C LYS A 12 -4.262 5.974 -3.704 1.00 0.00 C +ATOM 199 O LYS A 12 -5.173 6.138 -4.505 1.00 0.00 O +ATOM 200 CB LYS A 12 -3.484 3.600 -4.322 1.00 0.00 C +ATOM 201 CG LYS A 12 -4.164 3.388 -5.687 1.00 0.00 C +ATOM 202 CD LYS A 12 -4.476 1.901 -5.917 1.00 0.00 C +ATOM 203 CE LYS A 12 -5.114 1.674 -7.290 1.00 0.00 C +ATOM 204 NZ LYS A 12 -5.319 0.239 -7.555 1.00 0.00 N +ATOM 205 H LYS A 12 -2.238 4.859 -2.057 1.00 0.00 H +ATOM 206 HA LYS A 12 -2.647 5.459 -4.967 1.00 0.00 H +ATOM 207 HB2 LYS A 12 -2.592 2.973 -4.299 1.00 0.00 H +ATOM 208 HB3 LYS A 12 -4.158 3.261 -3.536 1.00 0.00 H +ATOM 209 HG2 LYS A 12 -5.096 3.950 -5.734 1.00 0.00 H +ATOM 210 HG3 LYS A 12 -3.498 3.742 -6.474 1.00 0.00 H +ATOM 211 HD2 LYS A 12 -3.549 1.329 -5.857 1.00 0.00 H +ATOM 212 HD3 LYS A 12 -5.161 1.552 -5.143 1.00 0.00 H +ATOM 213 HE2 LYS A 12 -6.075 2.186 -7.334 1.00 0.00 H +ATOM 214 HE3 LYS A 12 -4.461 2.084 -8.060 1.00 0.00 H +ATOM 215 HZ1 LYS A 12 -4.443 -0.253 -7.447 1.00 0.00 H +ATOM 216 HZ2 LYS A 12 -5.993 -0.134 -6.901 1.00 0.00 H +ATOM 217 HZ3 LYS A 12 -5.660 0.112 -8.497 1.00 0.00 H +TER 218 LYS A 12 +HETATM 219 N NH2 A 13 -4.272 6.628 -2.551 1.00 0.00 N +HETATM 220 HN1 NH2 A 13 -3.529 6.491 -1.879 1.00 0.00 H +HETATM 221 HN2 NH2 A 13 -5.050 7.231 -2.336 1.00 0.00 H +ENDMDL +MODEL 16 +ATOM 1 N SER A 1 -2.424 8.952 -0.072 1.00 0.00 N +ATOM 2 CA SER A 1 -3.089 8.094 0.925 1.00 0.00 C +ATOM 3 C SER A 1 -2.622 6.649 0.793 1.00 0.00 C +ATOM 4 O SER A 1 -2.506 6.110 -0.311 1.00 0.00 O +ATOM 5 CB SER A 1 -4.615 8.194 0.840 1.00 0.00 C +ATOM 6 OG SER A 1 -5.098 7.751 -0.412 1.00 0.00 O +ATOM 7 HA SER A 1 -2.789 8.445 1.913 1.00 0.00 H +ATOM 8 HB2 SER A 1 -5.059 7.588 1.632 1.00 0.00 H +ATOM 9 HB3 SER A 1 -4.913 9.233 0.988 1.00 0.00 H +ATOM 10 HG SER A 1 -5.749 7.055 -0.274 1.00 0.00 H +ATOM 11 H1 SER A 1 -1.430 8.773 -0.049 1.00 0.00 H +ATOM 12 H2 SER A 1 -2.589 9.922 0.151 1.00 0.00 H +ATOM 13 H3 SER A 1 -2.780 8.745 -0.994 1.00 0.00 H +ATOM 14 N TRP A 2 -2.298 6.028 1.932 1.00 0.00 N +ATOM 15 CA TRP A 2 -1.962 4.608 2.001 1.00 0.00 C +ATOM 16 C TRP A 2 -3.216 3.728 1.923 1.00 0.00 C +ATOM 17 O TRP A 2 -4.128 3.862 2.729 1.00 0.00 O +ATOM 18 CB TRP A 2 -1.134 4.315 3.263 1.00 0.00 C +ATOM 19 CG TRP A 2 0.276 4.829 3.215 1.00 0.00 C +ATOM 20 CD1 TRP A 2 0.792 5.815 3.980 1.00 0.00 C +ATOM 21 CD2 TRP A 2 1.384 4.356 2.385 1.00 0.00 C +ATOM 22 NE1 TRP A 2 2.124 5.998 3.670 1.00 0.00 N +ATOM 23 CE2 TRP A 2 2.559 5.066 2.749 1.00 0.00 C +ATOM 24 CE3 TRP A 2 1.514 3.389 1.366 1.00 0.00 C +ATOM 25 CZ2 TRP A 2 3.818 4.773 2.196 1.00 0.00 C +ATOM 26 CZ3 TRP A 2 2.766 3.080 0.809 1.00 0.00 C +ATOM 27 CH2 TRP A 2 3.920 3.756 1.233 1.00 0.00 C +ATOM 28 H TRP A 2 -2.394 6.524 2.805 1.00 0.00 H +ATOM 29 HA TRP A 2 -1.367 4.385 1.120 1.00 0.00 H +ATOM 30 HB2 TRP A 2 -1.636 4.710 4.149 1.00 0.00 H +ATOM 31 HB3 TRP A 2 -1.079 3.235 3.398 1.00 0.00 H +ATOM 32 HD1 TRP A 2 0.237 6.378 4.721 1.00 0.00 H +ATOM 33 HE1 TRP A 2 2.700 6.727 4.070 1.00 0.00 H +ATOM 34 HE3 TRP A 2 0.630 2.875 1.030 1.00 0.00 H +ATOM 35 HZ2 TRP A 2 4.695 5.316 2.515 1.00 0.00 H +ATOM 36 HZ3 TRP A 2 2.849 2.315 0.047 1.00 0.00 H +ATOM 37 HH2 TRP A 2 4.882 3.505 0.804 1.00 0.00 H +ATOM 38 N THR A 3 -3.235 2.816 0.942 1.00 0.00 N +ATOM 39 CA THR A 3 -4.345 1.902 0.610 1.00 0.00 C +ATOM 40 C THR A 3 -3.800 0.474 0.471 1.00 0.00 C +ATOM 41 O THR A 3 -2.616 0.298 0.186 1.00 0.00 O +ATOM 42 CB THR A 3 -5.044 2.383 -0.679 1.00 0.00 C +ATOM 43 OG1 THR A 3 -5.224 3.782 -0.633 1.00 0.00 O +ATOM 44 CG2 THR A 3 -6.429 1.765 -0.869 1.00 0.00 C +ATOM 45 H THR A 3 -2.435 2.788 0.312 1.00 0.00 H +ATOM 46 HA THR A 3 -5.076 1.906 1.421 1.00 0.00 H +ATOM 47 HB THR A 3 -4.417 2.145 -1.539 1.00 0.00 H +ATOM 48 HG1 THR A 3 -4.361 4.166 -0.446 1.00 0.00 H +ATOM 49 HG21 THR A 3 -6.988 1.797 0.068 1.00 0.00 H +ATOM 50 HG22 THR A 3 -6.977 2.335 -1.620 1.00 0.00 H +ATOM 51 HG23 THR A 3 -6.340 0.735 -1.214 1.00 0.00 H +ATOM 52 N TRP A 4 -4.596 -0.555 0.767 1.00 0.00 N +ATOM 53 CA TRP A 4 -4.117 -1.936 0.881 1.00 0.00 C +ATOM 54 C TRP A 4 -4.434 -2.790 -0.351 1.00 0.00 C +ATOM 55 O TRP A 4 -5.579 -2.888 -0.786 1.00 0.00 O +ATOM 56 CB TRP A 4 -4.695 -2.555 2.155 1.00 0.00 C +ATOM 57 CG TRP A 4 -4.465 -4.025 2.324 1.00 0.00 C +ATOM 58 CD1 TRP A 4 -5.293 -4.999 1.884 1.00 0.00 C +ATOM 59 CD2 TRP A 4 -3.357 -4.706 2.983 1.00 0.00 C +ATOM 60 NE1 TRP A 4 -4.789 -6.233 2.247 1.00 0.00 N +ATOM 61 CE2 TRP A 4 -3.604 -6.108 2.939 1.00 0.00 C +ATOM 62 CE3 TRP A 4 -2.170 -4.281 3.612 1.00 0.00 C +ATOM 63 CZ2 TRP A 4 -2.741 -7.035 3.538 1.00 0.00 C +ATOM 64 CZ3 TRP A 4 -1.305 -5.197 4.238 1.00 0.00 C +ATOM 65 CH2 TRP A 4 -1.596 -6.572 4.211 1.00 0.00 C +ATOM 66 H TRP A 4 -5.569 -0.384 0.970 1.00 0.00 H +ATOM 67 HA TRP A 4 -3.032 -1.927 0.981 1.00 0.00 H +ATOM 68 HB2 TRP A 4 -4.254 -2.037 3.009 1.00 0.00 H +ATOM 69 HB3 TRP A 4 -5.771 -2.373 2.178 1.00 0.00 H +ATOM 70 HD1 TRP A 4 -6.218 -4.819 1.347 1.00 0.00 H +ATOM 71 HE1 TRP A 4 -5.276 -7.103 2.083 1.00 0.00 H +ATOM 72 HE3 TRP A 4 -1.938 -3.232 3.616 1.00 0.00 H +ATOM 73 HZ2 TRP A 4 -2.969 -8.089 3.513 1.00 0.00 H +ATOM 74 HZ3 TRP A 4 -0.413 -4.855 4.747 1.00 0.00 H +ATOM 75 HH2 TRP A 4 -0.936 -7.268 4.709 1.00 0.00 H +ATOM 76 N GLU A 5 -3.394 -3.432 -0.887 1.00 0.00 N +ATOM 77 CA GLU A 5 -3.437 -4.222 -2.107 1.00 0.00 C +ATOM 78 C GLU A 5 -2.730 -5.568 -1.851 1.00 0.00 C +ATOM 79 O GLU A 5 -1.505 -5.616 -1.717 1.00 0.00 O +ATOM 80 CB GLU A 5 -2.781 -3.353 -3.191 1.00 0.00 C +ATOM 81 CG GLU A 5 -2.960 -3.840 -4.633 1.00 0.00 C +ATOM 82 CD GLU A 5 -1.606 -3.957 -5.334 1.00 0.00 C +ATOM 83 OE1 GLU A 5 -0.960 -5.012 -5.154 1.00 0.00 O +ATOM 84 OE2 GLU A 5 -1.232 -2.983 -6.023 1.00 0.00 O +ATOM 85 H GLU A 5 -2.457 -3.239 -0.538 1.00 0.00 H +ATOM 86 HA GLU A 5 -4.477 -4.398 -2.381 1.00 0.00 H +ATOM 87 HB2 GLU A 5 -3.217 -2.355 -3.133 1.00 0.00 H +ATOM 88 HB3 GLU A 5 -1.720 -3.255 -2.958 1.00 0.00 H +ATOM 89 HG2 GLU A 5 -3.475 -4.800 -4.657 1.00 0.00 H +ATOM 90 HG3 GLU A 5 -3.576 -3.114 -5.168 1.00 0.00 H +ATOM 91 N ASN A 6 -3.513 -6.650 -1.695 1.00 0.00 N +ATOM 92 CA ASN A 6 -3.088 -8.044 -1.480 1.00 0.00 C +ATOM 93 C ASN A 6 -1.732 -8.230 -0.746 1.00 0.00 C +ATOM 94 O ASN A 6 -0.798 -8.798 -1.308 1.00 0.00 O +ATOM 95 CB ASN A 6 -3.213 -8.832 -2.810 1.00 0.00 C +ATOM 96 CG ASN A 6 -2.447 -8.295 -4.022 1.00 0.00 C +ATOM 97 OD1 ASN A 6 -2.904 -8.415 -5.146 1.00 0.00 O +ATOM 98 ND2 ASN A 6 -1.286 -7.699 -3.859 1.00 0.00 N +ATOM 99 H ASN A 6 -4.506 -6.505 -1.803 1.00 0.00 H +ATOM 100 HA ASN A 6 -3.822 -8.493 -0.811 1.00 0.00 H +ATOM 101 HB2 ASN A 6 -2.916 -9.868 -2.651 1.00 0.00 H +ATOM 102 HB3 ASN A 6 -4.266 -8.843 -3.094 1.00 0.00 H +ATOM 103 HD21 ASN A 6 -0.895 -7.589 -2.929 1.00 0.00 H +ATOM 104 HD22 ASN A 6 -0.887 -7.271 -4.675 1.00 0.00 H +ATOM 105 N GLY A 7 -1.614 -7.763 0.507 1.00 0.00 N +ATOM 106 CA GLY A 7 -0.400 -7.934 1.320 1.00 0.00 C +ATOM 107 C GLY A 7 0.542 -6.720 1.413 1.00 0.00 C +ATOM 108 O GLY A 7 1.497 -6.791 2.185 1.00 0.00 O +ATOM 109 H GLY A 7 -2.400 -7.284 0.923 1.00 0.00 H +ATOM 110 HA2 GLY A 7 -0.672 -8.243 2.330 1.00 0.00 H +ATOM 111 HA3 GLY A 7 0.191 -8.760 0.920 1.00 0.00 H +ATOM 112 N LYS A 8 0.328 -5.627 0.653 1.00 0.00 N +ATOM 113 CA LYS A 8 1.214 -4.440 0.634 1.00 0.00 C +ATOM 114 C LYS A 8 0.408 -3.126 0.687 1.00 0.00 C +ATOM 115 O LYS A 8 -0.700 -3.038 0.148 1.00 0.00 O +ATOM 116 CB LYS A 8 2.104 -4.550 -0.629 1.00 0.00 C +ATOM 117 CG LYS A 8 3.216 -3.496 -0.814 1.00 0.00 C +ATOM 118 CD LYS A 8 4.602 -3.778 -0.200 1.00 0.00 C +ATOM 119 CE LYS A 8 4.648 -4.157 1.286 1.00 0.00 C +ATOM 120 NZ LYS A 8 4.439 -5.600 1.506 1.00 0.00 N +ATOM 121 H LYS A 8 -0.440 -5.649 -0.018 1.00 0.00 H +ATOM 122 HA LYS A 8 1.853 -4.462 1.517 1.00 0.00 H +ATOM 123 HB2 LYS A 8 2.562 -5.540 -0.665 1.00 0.00 H +ATOM 124 HB3 LYS A 8 1.441 -4.478 -1.495 1.00 0.00 H +ATOM 125 HG2 LYS A 8 3.381 -3.396 -1.887 1.00 0.00 H +ATOM 126 HG3 LYS A 8 2.869 -2.526 -0.470 1.00 0.00 H +ATOM 127 HD2 LYS A 8 5.106 -4.551 -0.782 1.00 0.00 H +ATOM 128 HD3 LYS A 8 5.187 -2.864 -0.314 1.00 0.00 H +ATOM 129 HE2 LYS A 8 5.638 -3.904 1.668 1.00 0.00 H +ATOM 130 HE3 LYS A 8 3.905 -3.582 1.837 1.00 0.00 H +ATOM 131 HZ1 LYS A 8 5.145 -6.121 1.006 1.00 0.00 H +ATOM 132 HZ2 LYS A 8 4.512 -5.805 2.492 1.00 0.00 H +ATOM 133 HZ3 LYS A 8 3.523 -5.871 1.176 1.00 0.00 H +ATOM 134 N TRP A 9 0.967 -2.084 1.323 1.00 0.00 N +ATOM 135 CA TRP A 9 0.406 -0.726 1.283 1.00 0.00 C +ATOM 136 C TRP A 9 0.851 0.016 0.008 1.00 0.00 C +ATOM 137 O TRP A 9 1.990 -0.082 -0.437 1.00 0.00 O +ATOM 138 CB TRP A 9 0.768 0.089 2.539 1.00 0.00 C +ATOM 139 CG TRP A 9 0.100 -0.303 3.827 1.00 0.00 C +ATOM 140 CD1 TRP A 9 0.741 -0.899 4.856 1.00 0.00 C +ATOM 141 CD2 TRP A 9 -1.285 -0.099 4.283 1.00 0.00 C +ATOM 142 NE1 TRP A 9 -0.144 -1.128 5.885 1.00 0.00 N +ATOM 143 CE2 TRP A 9 -1.417 -0.721 5.562 1.00 0.00 C +ATOM 144 CE3 TRP A 9 -2.438 0.563 3.796 1.00 0.00 C +ATOM 145 CZ2 TRP A 9 -2.630 -0.795 6.256 1.00 0.00 C +ATOM 146 CZ3 TRP A 9 -3.651 0.550 4.515 1.00 0.00 C +ATOM 147 CH2 TRP A 9 -3.762 -0.162 5.722 1.00 0.00 C +ATOM 148 H TRP A 9 1.892 -2.196 1.706 1.00 0.00 H +ATOM 149 HA TRP A 9 -0.679 -0.806 1.258 1.00 0.00 H +ATOM 150 HB2 TRP A 9 1.851 0.067 2.676 1.00 0.00 H +ATOM 151 HB3 TRP A 9 0.487 1.124 2.368 1.00 0.00 H +ATOM 152 HD1 TRP A 9 1.792 -1.157 4.866 1.00 0.00 H +ATOM 153 HE1 TRP A 9 0.124 -1.512 6.782 1.00 0.00 H +ATOM 154 HE3 TRP A 9 -2.400 1.113 2.871 1.00 0.00 H +ATOM 155 HZ2 TRP A 9 -2.690 -1.324 7.198 1.00 0.00 H +ATOM 156 HZ3 TRP A 9 -4.514 1.080 4.133 1.00 0.00 H +ATOM 157 HH2 TRP A 9 -4.706 -0.204 6.249 1.00 0.00 H +ATOM 158 N THR A 10 -0.076 0.794 -0.547 1.00 0.00 N +ATOM 159 CA THR A 10 -0.028 1.475 -1.843 1.00 0.00 C +ATOM 160 C THR A 10 -0.325 2.949 -1.612 1.00 0.00 C +ATOM 161 O THR A 10 -1.386 3.273 -1.081 1.00 0.00 O +ATOM 162 CB THR A 10 -1.080 0.871 -2.792 1.00 0.00 C +ATOM 163 OG1 THR A 10 -0.990 -0.532 -2.768 1.00 0.00 O +ATOM 164 CG2 THR A 10 -0.870 1.291 -4.241 1.00 0.00 C +ATOM 165 H THR A 10 -0.986 0.789 -0.096 1.00 0.00 H +ATOM 166 HA THR A 10 0.959 1.360 -2.291 1.00 0.00 H +ATOM 167 HB THR A 10 -2.085 1.164 -2.476 1.00 0.00 H +ATOM 168 HG1 THR A 10 -1.004 -0.803 -1.846 1.00 0.00 H +ATOM 169 HG21 THR A 10 0.168 1.116 -4.523 1.00 0.00 H +ATOM 170 HG22 THR A 10 -1.515 0.681 -4.876 1.00 0.00 H +ATOM 171 HG23 THR A 10 -1.122 2.343 -4.372 1.00 0.00 H +ATOM 172 N TRP A 11 0.617 3.840 -1.927 1.00 0.00 N +ATOM 173 CA TRP A 11 0.341 5.276 -1.927 1.00 0.00 C +ATOM 174 C TRP A 11 -0.391 5.639 -3.217 1.00 0.00 C +ATOM 175 O TRP A 11 0.068 5.253 -4.293 1.00 0.00 O +ATOM 176 CB TRP A 11 1.636 6.089 -1.821 1.00 0.00 C +ATOM 177 CG TRP A 11 1.398 7.553 -1.612 1.00 0.00 C +ATOM 178 CD1 TRP A 11 1.506 8.506 -2.566 1.00 0.00 C +ATOM 179 CD2 TRP A 11 0.972 8.246 -0.399 1.00 0.00 C +ATOM 180 NE1 TRP A 11 1.172 9.734 -2.030 1.00 0.00 N +ATOM 181 CE2 TRP A 11 0.842 9.634 -0.694 1.00 0.00 C +ATOM 182 CE3 TRP A 11 0.675 7.839 0.920 1.00 0.00 C +ATOM 183 CZ2 TRP A 11 0.445 10.576 0.270 1.00 0.00 C +ATOM 184 CZ3 TRP A 11 0.320 8.778 1.905 1.00 0.00 C +ATOM 185 CH2 TRP A 11 0.206 10.140 1.585 1.00 0.00 C +ATOM 186 H TRP A 11 1.460 3.526 -2.384 1.00 0.00 H +ATOM 187 HA TRP A 11 -0.281 5.525 -1.068 1.00 0.00 H +ATOM 188 HB2 TRP A 11 2.235 5.712 -1.000 1.00 0.00 H +ATOM 189 HB3 TRP A 11 2.236 5.956 -2.721 1.00 0.00 H +ATOM 190 HD1 TRP A 11 1.788 8.317 -3.592 1.00 0.00 H +ATOM 191 HE1 TRP A 11 1.144 10.585 -2.569 1.00 0.00 H +ATOM 192 HE3 TRP A 11 0.744 6.795 1.165 1.00 0.00 H +ATOM 193 HZ2 TRP A 11 0.342 11.618 0.002 1.00 0.00 H +ATOM 194 HZ3 TRP A 11 0.132 8.450 2.916 1.00 0.00 H +ATOM 195 HH2 TRP A 11 -0.062 10.847 2.359 1.00 0.00 H +ATOM 196 N LYS A 12 -1.477 6.417 -3.130 1.00 0.00 N +ATOM 197 CA LYS A 12 -2.180 6.925 -4.320 1.00 0.00 C +ATOM 198 C LYS A 12 -2.131 8.451 -4.423 1.00 0.00 C +ATOM 199 O LYS A 12 -1.768 9.157 -3.489 1.00 0.00 O +ATOM 200 CB LYS A 12 -3.619 6.389 -4.379 1.00 0.00 C +ATOM 201 CG LYS A 12 -3.674 4.855 -4.274 1.00 0.00 C +ATOM 202 CD LYS A 12 -5.036 4.295 -4.690 1.00 0.00 C +ATOM 203 CE LYS A 12 -6.183 4.884 -3.868 1.00 0.00 C +ATOM 204 NZ LYS A 12 -7.469 4.320 -4.301 1.00 0.00 N +ATOM 205 H LYS A 12 -1.845 6.627 -2.206 1.00 0.00 H +ATOM 206 HA LYS A 12 -1.670 6.552 -5.210 1.00 0.00 H +ATOM 207 HB2 LYS A 12 -4.205 6.835 -3.575 1.00 0.00 H +ATOM 208 HB3 LYS A 12 -4.056 6.686 -5.334 1.00 0.00 H +ATOM 209 HG2 LYS A 12 -2.919 4.425 -4.934 1.00 0.00 H +ATOM 210 HG3 LYS A 12 -3.456 4.548 -3.250 1.00 0.00 H +ATOM 211 HD2 LYS A 12 -5.205 4.519 -5.746 1.00 0.00 H +ATOM 212 HD3 LYS A 12 -5.024 3.212 -4.564 1.00 0.00 H +ATOM 213 HE2 LYS A 12 -6.027 4.669 -2.810 1.00 0.00 H +ATOM 214 HE3 LYS A 12 -6.204 5.965 -4.012 1.00 0.00 H +ATOM 215 HZ1 LYS A 12 -8.227 4.831 -3.874 1.00 0.00 H +ATOM 216 HZ2 LYS A 12 -7.539 4.394 -5.306 1.00 0.00 H +ATOM 217 HZ3 LYS A 12 -7.513 3.348 -4.031 1.00 0.00 H +TER 218 LYS A 12 +HETATM 219 N NH2 A 13 -2.507 8.974 -5.583 1.00 0.00 N +HETATM 220 HN1 NH2 A 13 -2.816 8.373 -6.330 1.00 0.00 H +HETATM 221 HN2 NH2 A 13 -2.462 9.973 -5.690 1.00 0.00 H +ENDMDL +MODEL 17 +ATOM 1 N SER A 1 -3.084 8.346 -0.550 1.00 0.00 N +ATOM 2 CA SER A 1 -2.981 7.812 0.820 1.00 0.00 C +ATOM 3 C SER A 1 -2.820 6.293 0.826 1.00 0.00 C +ATOM 4 O SER A 1 -3.084 5.610 -0.172 1.00 0.00 O +ATOM 5 CB SER A 1 -4.143 8.267 1.703 1.00 0.00 C +ATOM 6 OG SER A 1 -3.690 8.255 3.042 1.00 0.00 O +ATOM 7 HA SER A 1 -2.076 8.233 1.257 1.00 0.00 H +ATOM 8 HB2 SER A 1 -4.431 9.285 1.436 1.00 0.00 H +ATOM 9 HB3 SER A 1 -5.003 7.604 1.587 1.00 0.00 H +ATOM 10 HG SER A 1 -4.301 8.764 3.585 1.00 0.00 H +ATOM 11 H1 SER A 1 -3.456 9.284 -0.522 1.00 0.00 H +ATOM 12 H2 SER A 1 -3.690 7.756 -1.102 1.00 0.00 H +ATOM 13 H3 SER A 1 -2.167 8.369 -0.973 1.00 0.00 H +ATOM 14 N TRP A 2 -2.229 5.786 1.912 1.00 0.00 N +ATOM 15 CA TRP A 2 -1.936 4.369 2.090 1.00 0.00 C +ATOM 16 C TRP A 2 -3.175 3.466 1.990 1.00 0.00 C +ATOM 17 O TRP A 2 -4.039 3.445 2.860 1.00 0.00 O +ATOM 18 CB TRP A 2 -1.070 4.141 3.337 1.00 0.00 C +ATOM 19 CG TRP A 2 0.276 4.805 3.275 1.00 0.00 C +ATOM 20 CD1 TRP A 2 0.666 5.858 4.030 1.00 0.00 C +ATOM 21 CD2 TRP A 2 1.435 4.447 2.452 1.00 0.00 C +ATOM 22 NE1 TRP A 2 1.980 6.174 3.739 1.00 0.00 N +ATOM 23 CE2 TRP A 2 2.518 5.304 2.813 1.00 0.00 C +ATOM 24 CE3 TRP A 2 1.706 3.460 1.474 1.00 0.00 C +ATOM 25 CZ2 TRP A 2 3.804 5.167 2.266 1.00 0.00 C +ATOM 26 CZ3 TRP A 2 2.992 3.312 0.920 1.00 0.00 C +ATOM 27 CH2 TRP A 2 4.042 4.156 1.321 1.00 0.00 C +ATOM 28 H TRP A 2 -2.051 6.418 2.682 1.00 0.00 H +ATOM 29 HA TRP A 2 -1.349 4.101 1.228 1.00 0.00 H +ATOM 30 HB2 TRP A 2 -1.602 4.471 4.234 1.00 0.00 H +ATOM 31 HB3 TRP A 2 -0.894 3.072 3.450 1.00 0.00 H +ATOM 32 HD1 TRP A 2 0.044 6.355 4.764 1.00 0.00 H +ATOM 33 HE1 TRP A 2 2.491 6.925 4.186 1.00 0.00 H +ATOM 34 HE3 TRP A 2 0.940 2.769 1.162 1.00 0.00 H +ATOM 35 HZ2 TRP A 2 4.610 5.817 2.573 1.00 0.00 H +ATOM 36 HZ3 TRP A 2 3.180 2.531 0.196 1.00 0.00 H +ATOM 37 HH2 TRP A 2 5.030 4.021 0.905 1.00 0.00 H +ATOM 38 N THR A 3 -3.242 2.753 0.863 1.00 0.00 N +ATOM 39 CA THR A 3 -4.300 1.888 0.357 1.00 0.00 C +ATOM 40 C THR A 3 -3.717 0.474 0.341 1.00 0.00 C +ATOM 41 O THR A 3 -2.612 0.255 -0.161 1.00 0.00 O +ATOM 42 CB THR A 3 -4.698 2.383 -1.049 1.00 0.00 C +ATOM 43 OG1 THR A 3 -5.065 3.749 -0.981 1.00 0.00 O +ATOM 44 CG2 THR A 3 -5.882 1.632 -1.665 1.00 0.00 C +ATOM 45 H THR A 3 -2.449 2.832 0.231 1.00 0.00 H +ATOM 46 HA THR A 3 -5.176 1.930 1.007 1.00 0.00 H +ATOM 47 HB THR A 3 -3.839 2.292 -1.715 1.00 0.00 H +ATOM 48 HG1 THR A 3 -4.306 4.262 -0.650 1.00 0.00 H +ATOM 49 HG21 THR A 3 -5.615 0.594 -1.864 1.00 0.00 H +ATOM 50 HG22 THR A 3 -6.740 1.668 -0.993 1.00 0.00 H +ATOM 51 HG23 THR A 3 -6.157 2.110 -2.607 1.00 0.00 H +ATOM 52 N TRP A 4 -4.396 -0.477 0.980 1.00 0.00 N +ATOM 53 CA TRP A 4 -3.945 -1.864 1.050 1.00 0.00 C +ATOM 54 C TRP A 4 -4.186 -2.623 -0.260 1.00 0.00 C +ATOM 55 O TRP A 4 -5.266 -2.559 -0.852 1.00 0.00 O +ATOM 56 CB TRP A 4 -4.665 -2.540 2.222 1.00 0.00 C +ATOM 57 CG TRP A 4 -4.598 -4.029 2.265 1.00 0.00 C +ATOM 58 CD1 TRP A 4 -5.509 -4.861 1.714 1.00 0.00 C +ATOM 59 CD2 TRP A 4 -3.618 -4.874 2.927 1.00 0.00 C +ATOM 60 NE1 TRP A 4 -5.175 -6.167 2.008 1.00 0.00 N +ATOM 61 CE2 TRP A 4 -4.038 -6.228 2.786 1.00 0.00 C +ATOM 62 CE3 TRP A 4 -2.443 -4.631 3.670 1.00 0.00 C +ATOM 63 CZ2 TRP A 4 -3.358 -7.290 3.391 1.00 0.00 C +ATOM 64 CZ3 TRP A 4 -1.754 -5.690 4.288 1.00 0.00 C +ATOM 65 CH2 TRP A 4 -2.221 -7.013 4.166 1.00 0.00 C +ATOM 66 H TRP A 4 -5.250 -0.240 1.460 1.00 0.00 H +ATOM 67 HA TRP A 4 -2.869 -1.871 1.221 1.00 0.00 H +ATOM 68 HB2 TRP A 4 -4.264 -2.153 3.156 1.00 0.00 H +ATOM 69 HB3 TRP A 4 -5.721 -2.277 2.190 1.00 0.00 H +ATOM 70 HD1 TRP A 4 -6.385 -4.532 1.165 1.00 0.00 H +ATOM 71 HE1 TRP A 4 -5.747 -6.961 1.760 1.00 0.00 H +ATOM 72 HE3 TRP A 4 -2.087 -3.615 3.775 1.00 0.00 H +ATOM 73 HZ2 TRP A 4 -3.727 -8.300 3.291 1.00 0.00 H +ATOM 74 HZ3 TRP A 4 -0.860 -5.489 4.864 1.00 0.00 H +ATOM 75 HH2 TRP A 4 -1.703 -7.818 4.669 1.00 0.00 H +ATOM 76 N GLU A 5 -3.197 -3.426 -0.662 1.00 0.00 N +ATOM 77 CA GLU A 5 -3.191 -4.117 -1.940 1.00 0.00 C +ATOM 78 C GLU A 5 -2.447 -5.462 -1.787 1.00 0.00 C +ATOM 79 O GLU A 5 -1.244 -5.472 -1.527 1.00 0.00 O +ATOM 80 CB GLU A 5 -2.573 -3.166 -2.990 1.00 0.00 C +ATOM 81 CG GLU A 5 -2.849 -3.549 -4.451 1.00 0.00 C +ATOM 82 CD GLU A 5 -4.230 -3.100 -4.942 1.00 0.00 C +ATOM 83 OE1 GLU A 5 -5.228 -3.718 -4.510 1.00 0.00 O +ATOM 84 OE2 GLU A 5 -4.265 -2.147 -5.752 1.00 0.00 O +ATOM 85 H GLU A 5 -2.337 -3.452 -0.110 1.00 0.00 H +ATOM 86 HA GLU A 5 -4.232 -4.279 -2.204 1.00 0.00 H +ATOM 87 HB2 GLU A 5 -2.973 -2.161 -2.839 1.00 0.00 H +ATOM 88 HB3 GLU A 5 -1.495 -3.109 -2.836 1.00 0.00 H +ATOM 89 HG2 GLU A 5 -2.094 -3.071 -5.078 1.00 0.00 H +ATOM 90 HG3 GLU A 5 -2.749 -4.624 -4.573 1.00 0.00 H +ATOM 91 N ASN A 6 -3.176 -6.592 -1.865 1.00 0.00 N +ATOM 92 CA ASN A 6 -2.690 -7.984 -1.814 1.00 0.00 C +ATOM 93 C ASN A 6 -1.432 -8.217 -0.946 1.00 0.00 C +ATOM 94 O ASN A 6 -0.375 -8.614 -1.443 1.00 0.00 O +ATOM 95 CB ASN A 6 -2.596 -8.558 -3.243 1.00 0.00 C +ATOM 96 CG ASN A 6 -1.757 -7.735 -4.211 1.00 0.00 C +ATOM 97 OD1 ASN A 6 -2.272 -7.067 -5.093 1.00 0.00 O +ATOM 98 ND2 ASN A 6 -0.449 -7.779 -4.091 1.00 0.00 N +ATOM 99 H ASN A 6 -4.162 -6.477 -2.034 1.00 0.00 H +ATOM 100 HA ASN A 6 -3.469 -8.574 -1.327 1.00 0.00 H +ATOM 101 HB2 ASN A 6 -2.186 -9.568 -3.206 1.00 0.00 H +ATOM 102 HB3 ASN A 6 -3.604 -8.630 -3.652 1.00 0.00 H +ATOM 103 HD21 ASN A 6 -0.061 -8.225 -3.260 1.00 0.00 H +ATOM 104 HD22 ASN A 6 0.074 -7.194 -4.716 1.00 0.00 H +ATOM 105 N GLY A 7 -1.577 -8.011 0.371 1.00 0.00 N +ATOM 106 CA GLY A 7 -0.530 -8.230 1.371 1.00 0.00 C +ATOM 107 C GLY A 7 0.268 -6.984 1.785 1.00 0.00 C +ATOM 108 O GLY A 7 1.018 -7.084 2.754 1.00 0.00 O +ATOM 109 H GLY A 7 -2.478 -7.700 0.704 1.00 0.00 H +ATOM 110 HA2 GLY A 7 -0.972 -8.658 2.271 1.00 0.00 H +ATOM 111 HA3 GLY A 7 0.181 -8.965 0.993 1.00 0.00 H +ATOM 112 N LYS A 8 0.153 -5.837 1.087 1.00 0.00 N +ATOM 113 CA LYS A 8 1.039 -4.671 1.299 1.00 0.00 C +ATOM 114 C LYS A 8 0.293 -3.318 1.293 1.00 0.00 C +ATOM 115 O LYS A 8 -0.853 -3.237 0.856 1.00 0.00 O +ATOM 116 CB LYS A 8 2.162 -4.783 0.243 1.00 0.00 C +ATOM 117 CG LYS A 8 3.317 -3.788 0.432 1.00 0.00 C +ATOM 118 CD LYS A 8 4.628 -4.266 -0.212 1.00 0.00 C +ATOM 119 CE LYS A 8 5.600 -3.083 -0.307 1.00 0.00 C +ATOM 120 NZ LYS A 8 7.011 -3.498 -0.216 1.00 0.00 N +ATOM 121 H LYS A 8 -0.463 -5.820 0.275 1.00 0.00 H +ATOM 122 HA LYS A 8 1.491 -4.767 2.286 1.00 0.00 H +ATOM 123 HB2 LYS A 8 2.576 -5.791 0.305 1.00 0.00 H +ATOM 124 HB3 LYS A 8 1.743 -4.657 -0.758 1.00 0.00 H +ATOM 125 HG2 LYS A 8 3.027 -2.828 0.004 1.00 0.00 H +ATOM 126 HG3 LYS A 8 3.502 -3.659 1.498 1.00 0.00 H +ATOM 127 HD2 LYS A 8 5.054 -5.051 0.416 1.00 0.00 H +ATOM 128 HD3 LYS A 8 4.449 -4.672 -1.211 1.00 0.00 H +ATOM 129 HE2 LYS A 8 5.447 -2.568 -1.255 1.00 0.00 H +ATOM 130 HE3 LYS A 8 5.388 -2.391 0.508 1.00 0.00 H +ATOM 131 HZ1 LYS A 8 7.601 -2.682 -0.296 1.00 0.00 H +ATOM 132 HZ2 LYS A 8 7.176 -3.943 0.676 1.00 0.00 H +ATOM 133 HZ3 LYS A 8 7.224 -4.142 -0.964 1.00 0.00 H +ATOM 134 N TRP A 9 0.935 -2.241 1.778 1.00 0.00 N +ATOM 135 CA TRP A 9 0.453 -0.852 1.662 1.00 0.00 C +ATOM 136 C TRP A 9 1.064 -0.167 0.432 1.00 0.00 C +ATOM 137 O TRP A 9 2.283 -0.166 0.275 1.00 0.00 O +ATOM 138 CB TRP A 9 0.767 -0.034 2.935 1.00 0.00 C +ATOM 139 CG TRP A 9 0.032 -0.478 4.167 1.00 0.00 C +ATOM 140 CD1 TRP A 9 0.574 -1.084 5.250 1.00 0.00 C +ATOM 141 CD2 TRP A 9 -1.393 -0.336 4.463 1.00 0.00 C +ATOM 142 NE1 TRP A 9 -0.425 -1.401 6.152 1.00 0.00 N +ATOM 143 CE2 TRP A 9 -1.653 -0.940 5.730 1.00 0.00 C +ATOM 144 CE3 TRP A 9 -2.488 0.259 3.800 1.00 0.00 C +ATOM 145 CZ2 TRP A 9 -2.938 -0.986 6.295 1.00 0.00 C +ATOM 146 CZ3 TRP A 9 -3.780 0.233 4.364 1.00 0.00 C +ATOM 147 CH2 TRP A 9 -4.008 -0.398 5.601 1.00 0.00 C +ATOM 148 H TRP A 9 1.872 -2.365 2.128 1.00 0.00 H +ATOM 149 HA TRP A 9 -0.631 -0.854 1.541 1.00 0.00 H +ATOM 150 HB2 TRP A 9 1.843 -0.010 3.137 1.00 0.00 H +ATOM 151 HB3 TRP A 9 0.471 0.997 2.739 1.00 0.00 H +ATOM 152 HD1 TRP A 9 1.623 -1.316 5.380 1.00 0.00 H +ATOM 153 HE1 TRP A 9 -0.271 -1.919 7.007 1.00 0.00 H +ATOM 154 HE3 TRP A 9 -2.323 0.741 2.850 1.00 0.00 H +ATOM 155 HZ2 TRP A 9 -3.102 -1.475 7.243 1.00 0.00 H +ATOM 156 HZ3 TRP A 9 -4.610 0.661 3.821 1.00 0.00 H +ATOM 157 HH2 TRP A 9 -5.007 -0.446 6.012 1.00 0.00 H +ATOM 158 N THR A 10 0.225 0.437 -0.419 1.00 0.00 N +ATOM 159 CA THR A 10 0.630 1.313 -1.537 1.00 0.00 C +ATOM 160 C THR A 10 -0.063 2.675 -1.469 1.00 0.00 C +ATOM 161 O THR A 10 -0.924 2.914 -0.627 1.00 0.00 O +ATOM 162 CB THR A 10 0.433 0.612 -2.891 1.00 0.00 C +ATOM 163 OG1 THR A 10 1.042 1.372 -3.909 1.00 0.00 O +ATOM 164 CG2 THR A 10 -1.025 0.403 -3.296 1.00 0.00 C +ATOM 165 H THR A 10 -0.778 0.380 -0.242 1.00 0.00 H +ATOM 166 HA THR A 10 1.697 1.544 -1.464 1.00 0.00 H +ATOM 167 HB THR A 10 0.929 -0.359 -2.846 1.00 0.00 H +ATOM 168 HG1 THR A 10 0.345 1.716 -4.477 1.00 0.00 H +ATOM 169 HG21 THR A 10 -1.484 1.348 -3.591 1.00 0.00 H +ATOM 170 HG22 THR A 10 -1.061 -0.297 -4.131 1.00 0.00 H +ATOM 171 HG23 THR A 10 -1.591 -0.022 -2.469 1.00 0.00 H +ATOM 172 N TRP A 11 0.415 3.615 -2.280 1.00 0.00 N +ATOM 173 CA TRP A 11 0.062 5.032 -2.274 1.00 0.00 C +ATOM 174 C TRP A 11 -0.534 5.450 -3.624 1.00 0.00 C +ATOM 175 O TRP A 11 -0.119 4.936 -4.664 1.00 0.00 O +ATOM 176 CB TRP A 11 1.355 5.820 -2.022 1.00 0.00 C +ATOM 177 CG TRP A 11 1.181 7.298 -1.928 1.00 0.00 C +ATOM 178 CD1 TRP A 11 1.235 8.150 -2.976 1.00 0.00 C +ATOM 179 CD2 TRP A 11 0.915 8.114 -0.750 1.00 0.00 C +ATOM 180 NE1 TRP A 11 0.978 9.432 -2.537 1.00 0.00 N +ATOM 181 CE2 TRP A 11 0.806 9.473 -1.169 1.00 0.00 C +ATOM 182 CE3 TRP A 11 0.765 7.847 0.628 1.00 0.00 C +ATOM 183 CZ2 TRP A 11 0.583 10.519 -0.264 1.00 0.00 C +ATOM 184 CZ3 TRP A 11 0.548 8.890 1.547 1.00 0.00 C +ATOM 185 CH2 TRP A 11 0.463 10.224 1.106 1.00 0.00 C +ATOM 186 H TRP A 11 1.104 3.312 -2.960 1.00 0.00 H +ATOM 187 HA TRP A 11 -0.643 5.260 -1.472 1.00 0.00 H +ATOM 188 HB2 TRP A 11 1.818 5.463 -1.104 1.00 0.00 H +ATOM 189 HB3 TRP A 11 2.065 5.620 -2.823 1.00 0.00 H +ATOM 190 HD1 TRP A 11 1.436 7.853 -3.998 1.00 0.00 H +ATOM 191 HE1 TRP A 11 0.927 10.236 -3.147 1.00 0.00 H +ATOM 192 HE3 TRP A 11 0.844 6.829 0.980 1.00 0.00 H +ATOM 193 HZ2 TRP A 11 0.532 11.538 -0.619 1.00 0.00 H +ATOM 194 HZ3 TRP A 11 0.454 8.662 2.600 1.00 0.00 H +ATOM 195 HH2 TRP A 11 0.316 11.020 1.821 1.00 0.00 H +ATOM 196 N LYS A 12 -1.454 6.424 -3.622 1.00 0.00 N +ATOM 197 CA LYS A 12 -1.901 7.113 -4.841 1.00 0.00 C +ATOM 198 C LYS A 12 -2.134 8.604 -4.573 1.00 0.00 C +ATOM 199 O LYS A 12 -2.482 8.999 -3.466 1.00 0.00 O +ATOM 200 CB LYS A 12 -3.095 6.405 -5.508 1.00 0.00 C +ATOM 201 CG LYS A 12 -4.370 6.238 -4.663 1.00 0.00 C +ATOM 202 CD LYS A 12 -5.558 5.821 -5.556 1.00 0.00 C +ATOM 203 CE LYS A 12 -6.624 6.918 -5.663 1.00 0.00 C +ATOM 204 NZ LYS A 12 -7.451 6.993 -4.447 1.00 0.00 N +ATOM 205 H LYS A 12 -1.726 6.837 -2.739 1.00 0.00 H +ATOM 206 HA LYS A 12 -1.078 7.062 -5.557 1.00 0.00 H +ATOM 207 HB2 LYS A 12 -3.345 6.966 -6.410 1.00 0.00 H +ATOM 208 HB3 LYS A 12 -2.767 5.412 -5.821 1.00 0.00 H +ATOM 209 HG2 LYS A 12 -4.199 5.463 -3.913 1.00 0.00 H +ATOM 210 HG3 LYS A 12 -4.600 7.171 -4.147 1.00 0.00 H +ATOM 211 HD2 LYS A 12 -5.206 5.590 -6.562 1.00 0.00 H +ATOM 212 HD3 LYS A 12 -6.018 4.916 -5.157 1.00 0.00 H +ATOM 213 HE2 LYS A 12 -6.142 7.882 -5.827 1.00 0.00 H +ATOM 214 HE3 LYS A 12 -7.274 6.702 -6.511 1.00 0.00 H +ATOM 215 HZ1 LYS A 12 -7.905 6.102 -4.293 1.00 0.00 H +ATOM 216 HZ2 LYS A 12 -6.865 7.211 -3.655 1.00 0.00 H +ATOM 217 HZ3 LYS A 12 -8.151 7.712 -4.561 1.00 0.00 H +TER 218 LYS A 12 +HETATM 219 N NH2 A 13 -1.941 9.450 -5.577 1.00 0.00 N +HETATM 220 HN1 NH2 A 13 -1.641 9.131 -6.485 1.00 0.00 H +HETATM 221 HN2 NH2 A 13 -2.059 10.429 -5.371 1.00 0.00 H +ENDMDL +MODEL 18 +ATOM 1 N SER A 1 -2.622 8.484 1.714 1.00 0.00 N +ATOM 2 CA SER A 1 -3.200 7.778 0.555 1.00 0.00 C +ATOM 3 C SER A 1 -2.700 6.330 0.484 1.00 0.00 C +ATOM 4 O SER A 1 -2.626 5.753 -0.601 1.00 0.00 O +ATOM 5 CB SER A 1 -2.890 8.546 -0.737 1.00 0.00 C +ATOM 6 OG SER A 1 -3.281 9.900 -0.616 1.00 0.00 O +ATOM 7 HA SER A 1 -4.284 7.752 0.680 1.00 0.00 H +ATOM 8 HB2 SER A 1 -1.821 8.500 -0.943 1.00 0.00 H +ATOM 9 HB3 SER A 1 -3.429 8.103 -1.573 1.00 0.00 H +ATOM 10 HG SER A 1 -4.184 10.003 -0.927 1.00 0.00 H +ATOM 11 H1 SER A 1 -2.864 7.992 2.562 1.00 0.00 H +ATOM 12 H2 SER A 1 -2.986 9.425 1.747 1.00 0.00 H +ATOM 13 H3 SER A 1 -1.616 8.514 1.613 1.00 0.00 H +ATOM 14 N TRP A 2 -2.342 5.728 1.629 1.00 0.00 N +ATOM 15 CA TRP A 2 -2.028 4.308 1.705 1.00 0.00 C +ATOM 16 C TRP A 2 -3.297 3.455 1.626 1.00 0.00 C +ATOM 17 O TRP A 2 -4.128 3.460 2.530 1.00 0.00 O +ATOM 18 CB TRP A 2 -1.198 3.957 2.941 1.00 0.00 C +ATOM 19 CG TRP A 2 0.161 4.584 3.035 1.00 0.00 C +ATOM 20 CD1 TRP A 2 0.497 5.610 3.850 1.00 0.00 C +ATOM 21 CD2 TRP A 2 1.410 4.139 2.416 1.00 0.00 C +ATOM 22 NE1 TRP A 2 1.858 5.839 3.770 1.00 0.00 N +ATOM 23 CE2 TRP A 2 2.480 4.921 2.946 1.00 0.00 C +ATOM 24 CE3 TRP A 2 1.753 3.118 1.500 1.00 0.00 C +ATOM 25 CZ2 TRP A 2 3.824 4.673 2.625 1.00 0.00 C +ATOM 26 CZ3 TRP A 2 3.100 2.849 1.177 1.00 0.00 C +ATOM 27 CH2 TRP A 2 4.133 3.618 1.746 1.00 0.00 C +ATOM 28 H TRP A 2 -2.435 6.221 2.503 1.00 0.00 H +ATOM 29 HA TRP A 2 -1.427 4.078 0.839 1.00 0.00 H +ATOM 30 HB2 TRP A 2 -1.767 4.192 3.841 1.00 0.00 H +ATOM 31 HB3 TRP A 2 -1.045 2.877 2.932 1.00 0.00 H +ATOM 32 HD1 TRP A 2 -0.194 6.157 4.478 1.00 0.00 H +ATOM 33 HE1 TRP A 2 2.340 6.552 4.300 1.00 0.00 H +ATOM 34 HE3 TRP A 2 0.963 2.519 1.083 1.00 0.00 H +ATOM 35 HZ2 TRP A 2 4.608 5.272 3.062 1.00 0.00 H +ATOM 36 HZ3 TRP A 2 3.347 2.028 0.517 1.00 0.00 H +ATOM 37 HH2 TRP A 2 5.165 3.391 1.513 1.00 0.00 H +ATOM 38 N THR A 3 -3.433 2.740 0.513 1.00 0.00 N +ATOM 39 CA THR A 3 -4.454 1.737 0.213 1.00 0.00 C +ATOM 40 C THR A 3 -3.834 0.343 0.338 1.00 0.00 C +ATOM 41 O THR A 3 -2.743 0.099 -0.183 1.00 0.00 O +ATOM 42 CB THR A 3 -4.995 1.969 -1.210 1.00 0.00 C +ATOM 43 OG1 THR A 3 -3.960 2.280 -2.129 1.00 0.00 O +ATOM 44 CG2 THR A 3 -5.969 3.151 -1.212 1.00 0.00 C +ATOM 45 H THR A 3 -2.739 2.887 -0.217 1.00 0.00 H +ATOM 46 HA THR A 3 -5.278 1.820 0.922 1.00 0.00 H +ATOM 47 HB THR A 3 -5.528 1.079 -1.548 1.00 0.00 H +ATOM 48 HG1 THR A 3 -3.288 1.579 -2.139 1.00 0.00 H +ATOM 49 HG21 THR A 3 -6.316 3.340 -2.229 1.00 0.00 H +ATOM 50 HG22 THR A 3 -6.831 2.926 -0.582 1.00 0.00 H +ATOM 51 HG23 THR A 3 -5.475 4.048 -0.835 1.00 0.00 H +ATOM 52 N TRP A 4 -4.468 -0.562 1.089 1.00 0.00 N +ATOM 53 CA TRP A 4 -4.021 -1.954 1.190 1.00 0.00 C +ATOM 54 C TRP A 4 -4.373 -2.727 -0.089 1.00 0.00 C +ATOM 55 O TRP A 4 -5.535 -2.795 -0.486 1.00 0.00 O +ATOM 56 CB TRP A 4 -4.636 -2.608 2.432 1.00 0.00 C +ATOM 57 CG TRP A 4 -4.254 -4.039 2.659 1.00 0.00 C +ATOM 58 CD1 TRP A 4 -5.051 -5.109 2.431 1.00 0.00 C +ATOM 59 CD2 TRP A 4 -3.032 -4.569 3.251 1.00 0.00 C +ATOM 60 NE1 TRP A 4 -4.395 -6.262 2.815 1.00 0.00 N +ATOM 61 CE2 TRP A 4 -3.175 -5.978 3.390 1.00 0.00 C +ATOM 62 CE3 TRP A 4 -1.839 -3.999 3.741 1.00 0.00 C +ATOM 63 CZ2 TRP A 4 -2.229 -6.766 4.057 1.00 0.00 C +ATOM 64 CZ3 TRP A 4 -0.889 -4.774 4.426 1.00 0.00 C +ATOM 65 CH2 TRP A 4 -1.099 -6.150 4.611 1.00 0.00 C +ATOM 66 H TRP A 4 -5.336 -0.317 1.542 1.00 0.00 H +ATOM 67 HA TRP A 4 -2.938 -1.971 1.312 1.00 0.00 H +ATOM 68 HB2 TRP A 4 -4.312 -2.044 3.312 1.00 0.00 H +ATOM 69 HB3 TRP A 4 -5.723 -2.541 2.375 1.00 0.00 H +ATOM 70 HD1 TRP A 4 -6.058 -5.053 2.034 1.00 0.00 H +ATOM 71 HE1 TRP A 4 -4.812 -7.181 2.779 1.00 0.00 H +ATOM 72 HE3 TRP A 4 -1.678 -2.948 3.606 1.00 0.00 H +ATOM 73 HZ2 TRP A 4 -2.395 -7.825 4.191 1.00 0.00 H +ATOM 74 HZ3 TRP A 4 -0.002 -4.310 4.837 1.00 0.00 H +ATOM 75 HH2 TRP A 4 -0.380 -6.737 5.167 1.00 0.00 H +ATOM 76 N GLU A 5 -3.363 -3.312 -0.734 1.00 0.00 N +ATOM 77 CA GLU A 5 -3.460 -4.033 -1.998 1.00 0.00 C +ATOM 78 C GLU A 5 -2.593 -5.306 -1.945 1.00 0.00 C +ATOM 79 O GLU A 5 -1.399 -5.247 -1.669 1.00 0.00 O +ATOM 80 CB GLU A 5 -3.054 -3.083 -3.142 1.00 0.00 C +ATOM 81 CG GLU A 5 -3.099 -3.761 -4.521 1.00 0.00 C +ATOM 82 CD GLU A 5 -3.637 -2.832 -5.611 1.00 0.00 C +ATOM 83 OE1 GLU A 5 -2.857 -1.970 -6.074 1.00 0.00 O +ATOM 84 OE2 GLU A 5 -4.823 -3.003 -5.967 1.00 0.00 O +ATOM 85 H GLU A 5 -2.415 -3.212 -0.368 1.00 0.00 H +ATOM 86 HA GLU A 5 -4.503 -4.310 -2.155 1.00 0.00 H +ATOM 87 HB2 GLU A 5 -3.734 -2.228 -3.136 1.00 0.00 H +ATOM 88 HB3 GLU A 5 -2.046 -2.707 -2.966 1.00 0.00 H +ATOM 89 HG2 GLU A 5 -2.094 -4.089 -4.789 1.00 0.00 H +ATOM 90 HG3 GLU A 5 -3.740 -4.642 -4.476 1.00 0.00 H +ATOM 91 N ASN A 6 -3.188 -6.476 -2.210 1.00 0.00 N +ATOM 92 CA ASN A 6 -2.489 -7.757 -2.401 1.00 0.00 C +ATOM 93 C ASN A 6 -1.585 -8.245 -1.239 1.00 0.00 C +ATOM 94 O ASN A 6 -0.695 -9.061 -1.481 1.00 0.00 O +ATOM 95 CB ASN A 6 -1.736 -7.710 -3.747 1.00 0.00 C +ATOM 96 CG ASN A 6 -1.805 -9.037 -4.485 1.00 0.00 C +ATOM 97 OD1 ASN A 6 -2.710 -9.282 -5.264 1.00 0.00 O +ATOM 98 ND2 ASN A 6 -0.869 -9.933 -4.254 1.00 0.00 N +ATOM 99 H ASN A 6 -4.170 -6.456 -2.440 1.00 0.00 H +ATOM 100 HA ASN A 6 -3.267 -8.514 -2.494 1.00 0.00 H +ATOM 101 HB2 ASN A 6 -2.173 -6.956 -4.401 1.00 0.00 H +ATOM 102 HB3 ASN A 6 -0.693 -7.434 -3.581 1.00 0.00 H +ATOM 103 HD21 ASN A 6 -0.215 -9.788 -3.496 1.00 0.00 H +ATOM 104 HD22 ASN A 6 -0.958 -10.794 -4.764 1.00 0.00 H +ATOM 105 N GLY A 7 -1.796 -7.778 0.003 1.00 0.00 N +ATOM 106 CA GLY A 7 -0.897 -8.042 1.141 1.00 0.00 C +ATOM 107 C GLY A 7 0.041 -6.872 1.492 1.00 0.00 C +ATOM 108 O GLY A 7 0.839 -6.998 2.421 1.00 0.00 O +ATOM 109 H GLY A 7 -2.549 -7.116 0.130 1.00 0.00 H +ATOM 110 HA2 GLY A 7 -1.473 -8.337 2.018 1.00 0.00 H +ATOM 111 HA3 GLY A 7 -0.254 -8.899 0.929 1.00 0.00 H +ATOM 112 N LYS A 8 -0.009 -5.751 0.750 1.00 0.00 N +ATOM 113 CA LYS A 8 0.927 -4.637 0.900 1.00 0.00 C +ATOM 114 C LYS A 8 0.211 -3.273 0.865 1.00 0.00 C +ATOM 115 O LYS A 8 -0.759 -3.073 0.139 1.00 0.00 O +ATOM 116 CB LYS A 8 1.992 -4.781 -0.206 1.00 0.00 C +ATOM 117 CG LYS A 8 3.042 -3.663 -0.274 1.00 0.00 C +ATOM 118 CD LYS A 8 3.870 -3.486 1.009 1.00 0.00 C +ATOM 119 CE LYS A 8 4.797 -2.273 0.889 1.00 0.00 C +ATOM 120 NZ LYS A 8 5.934 -2.530 -0.012 1.00 0.00 N +ATOM 121 H LYS A 8 -0.635 -5.713 -0.053 1.00 0.00 H +ATOM 122 HA LYS A 8 1.417 -4.775 1.862 1.00 0.00 H +ATOM 123 HB2 LYS A 8 2.510 -5.731 -0.069 1.00 0.00 H +ATOM 124 HB3 LYS A 8 1.487 -4.816 -1.174 1.00 0.00 H +ATOM 125 HG2 LYS A 8 3.720 -3.886 -1.099 1.00 0.00 H +ATOM 126 HG3 LYS A 8 2.539 -2.730 -0.511 1.00 0.00 H +ATOM 127 HD2 LYS A 8 3.211 -3.318 1.859 1.00 0.00 H +ATOM 128 HD3 LYS A 8 4.460 -4.384 1.203 1.00 0.00 H +ATOM 129 HE2 LYS A 8 4.229 -1.419 0.518 1.00 0.00 H +ATOM 130 HE3 LYS A 8 5.184 -2.030 1.880 1.00 0.00 H +ATOM 131 HZ1 LYS A 8 6.324 -3.439 0.194 1.00 0.00 H +ATOM 132 HZ2 LYS A 8 5.618 -2.507 -0.971 1.00 0.00 H +ATOM 133 HZ3 LYS A 8 6.641 -1.822 0.127 1.00 0.00 H +ATOM 134 N TRP A 9 0.666 -2.305 1.662 1.00 0.00 N +ATOM 135 CA TRP A 9 0.226 -0.913 1.540 1.00 0.00 C +ATOM 136 C TRP A 9 0.826 -0.245 0.278 1.00 0.00 C +ATOM 137 O TRP A 9 2.027 -0.338 0.038 1.00 0.00 O +ATOM 138 CB TRP A 9 0.594 -0.147 2.829 1.00 0.00 C +ATOM 139 CG TRP A 9 -0.135 -0.497 4.106 1.00 0.00 C +ATOM 140 CD1 TRP A 9 0.439 -1.057 5.196 1.00 0.00 C +ATOM 141 CD2 TRP A 9 -1.509 -0.185 4.510 1.00 0.00 C +ATOM 142 NE1 TRP A 9 -0.468 -1.094 6.235 1.00 0.00 N +ATOM 143 CE2 TRP A 9 -1.660 -0.501 5.892 1.00 0.00 C +ATOM 144 CE3 TRP A 9 -2.625 0.398 3.871 1.00 0.00 C +ATOM 145 CZ2 TRP A 9 -2.825 -0.210 6.616 1.00 0.00 C +ATOM 146 CZ3 TRP A 9 -3.810 0.680 4.580 1.00 0.00 C +ATOM 147 CH2 TRP A 9 -3.904 0.398 5.955 1.00 0.00 C +ATOM 148 H TRP A 9 1.448 -2.510 2.261 1.00 0.00 H +ATOM 149 HA TRP A 9 -0.852 -0.913 1.409 1.00 0.00 H +ATOM 150 HB2 TRP A 9 1.671 -0.237 3.012 1.00 0.00 H +ATOM 151 HB3 TRP A 9 0.414 0.911 2.652 1.00 0.00 H +ATOM 152 HD1 TRP A 9 1.471 -1.378 5.256 1.00 0.00 H +ATOM 153 HE1 TRP A 9 -0.254 -1.453 7.156 1.00 0.00 H +ATOM 154 HE3 TRP A 9 -2.561 0.638 2.823 1.00 0.00 H +ATOM 155 HZ2 TRP A 9 -2.888 -0.442 7.667 1.00 0.00 H +ATOM 156 HZ3 TRP A 9 -4.662 1.095 4.064 1.00 0.00 H +ATOM 157 HH2 TRP A 9 -4.807 0.643 6.498 1.00 0.00 H +ATOM 158 N THR A 10 0.008 0.491 -0.490 1.00 0.00 N +ATOM 159 CA THR A 10 0.359 1.215 -1.733 1.00 0.00 C +ATOM 160 C THR A 10 -0.091 2.680 -1.662 1.00 0.00 C +ATOM 161 O THR A 10 -1.134 2.960 -1.078 1.00 0.00 O +ATOM 162 CB THR A 10 -0.327 0.575 -2.955 1.00 0.00 C +ATOM 163 OG1 THR A 10 -1.724 0.451 -2.755 1.00 0.00 O +ATOM 164 CG2 THR A 10 0.240 -0.802 -3.302 1.00 0.00 C +ATOM 165 H THR A 10 -0.978 0.520 -0.243 1.00 0.00 H +ATOM 166 HA THR A 10 1.439 1.191 -1.885 1.00 0.00 H +ATOM 167 HB THR A 10 -0.161 1.227 -3.812 1.00 0.00 H +ATOM 168 HG1 THR A 10 -1.868 -0.126 -1.990 1.00 0.00 H +ATOM 169 HG21 THR A 10 -0.133 -1.106 -4.283 1.00 0.00 H +ATOM 170 HG22 THR A 10 1.329 -0.758 -3.341 1.00 0.00 H +ATOM 171 HG23 THR A 10 -0.062 -1.539 -2.557 1.00 0.00 H +ATOM 172 N TRP A 11 0.658 3.634 -2.236 1.00 0.00 N +ATOM 173 CA TRP A 11 0.351 5.073 -2.135 1.00 0.00 C +ATOM 174 C TRP A 11 -0.505 5.542 -3.329 1.00 0.00 C +ATOM 175 O TRP A 11 -0.025 6.231 -4.228 1.00 0.00 O +ATOM 176 CB TRP A 11 1.648 5.882 -1.928 1.00 0.00 C +ATOM 177 CG TRP A 11 1.463 7.360 -1.730 1.00 0.00 C +ATOM 178 CD1 TRP A 11 1.538 8.301 -2.700 1.00 0.00 C +ATOM 179 CD2 TRP A 11 1.143 8.087 -0.506 1.00 0.00 C +ATOM 180 NE1 TRP A 11 1.257 9.545 -2.172 1.00 0.00 N +ATOM 181 CE2 TRP A 11 1.033 9.476 -0.814 1.00 0.00 C +ATOM 182 CE3 TRP A 11 0.923 7.707 0.833 1.00 0.00 C +ATOM 183 CZ2 TRP A 11 0.735 10.445 0.158 1.00 0.00 C +ATOM 184 CZ3 TRP A 11 0.632 8.667 1.818 1.00 0.00 C +ATOM 185 CH2 TRP A 11 0.539 10.034 1.489 1.00 0.00 C +ATOM 186 H TRP A 11 1.483 3.375 -2.757 1.00 0.00 H +ATOM 187 HA TRP A 11 -0.245 5.241 -1.238 1.00 0.00 H +ATOM 188 HB2 TRP A 11 2.152 5.491 -1.042 1.00 0.00 H +ATOM 189 HB3 TRP A 11 2.327 5.722 -2.765 1.00 0.00 H +ATOM 190 HD1 TRP A 11 1.745 8.089 -3.741 1.00 0.00 H +ATOM 191 HE1 TRP A 11 1.195 10.386 -2.728 1.00 0.00 H +ATOM 192 HE3 TRP A 11 0.992 6.662 1.090 1.00 0.00 H +ATOM 193 HZ2 TRP A 11 0.661 11.488 -0.116 1.00 0.00 H +ATOM 194 HZ3 TRP A 11 0.480 8.337 2.831 1.00 0.00 H +ATOM 195 HH2 TRP A 11 0.316 10.768 2.250 1.00 0.00 H +ATOM 196 N LYS A 12 -1.779 5.120 -3.358 1.00 0.00 N +ATOM 197 CA LYS A 12 -2.700 5.332 -4.494 1.00 0.00 C +ATOM 198 C LYS A 12 -4.058 5.942 -4.103 1.00 0.00 C +ATOM 199 O LYS A 12 -4.796 6.416 -4.956 1.00 0.00 O +ATOM 200 CB LYS A 12 -2.826 4.004 -5.269 1.00 0.00 C +ATOM 201 CG LYS A 12 -3.458 4.140 -6.667 1.00 0.00 C +ATOM 202 CD LYS A 12 -3.406 2.812 -7.436 1.00 0.00 C +ATOM 203 CE LYS A 12 -3.983 2.980 -8.847 1.00 0.00 C +ATOM 204 NZ LYS A 12 -3.766 1.779 -9.674 1.00 0.00 N +ATOM 205 H LYS A 12 -2.066 4.541 -2.573 1.00 0.00 H +ATOM 206 HA LYS A 12 -2.247 6.059 -5.171 1.00 0.00 H +ATOM 207 HB2 LYS A 12 -1.821 3.595 -5.401 1.00 0.00 H +ATOM 208 HB3 LYS A 12 -3.404 3.292 -4.678 1.00 0.00 H +ATOM 209 HG2 LYS A 12 -4.498 4.451 -6.577 1.00 0.00 H +ATOM 210 HG3 LYS A 12 -2.911 4.897 -7.232 1.00 0.00 H +ATOM 211 HD2 LYS A 12 -2.369 2.480 -7.513 1.00 0.00 H +ATOM 212 HD3 LYS A 12 -3.983 2.056 -6.901 1.00 0.00 H +ATOM 213 HE2 LYS A 12 -5.054 3.174 -8.774 1.00 0.00 H +ATOM 214 HE3 LYS A 12 -3.503 3.830 -9.332 1.00 0.00 H +ATOM 215 HZ1 LYS A 12 -4.191 1.912 -10.581 1.00 0.00 H +ATOM 216 HZ2 LYS A 12 -2.775 1.624 -9.791 1.00 0.00 H +ATOM 217 HZ3 LYS A 12 -4.181 0.975 -9.224 1.00 0.00 H +TER 218 LYS A 12 +HETATM 219 N NH2 A 13 -4.394 6.021 -2.824 1.00 0.00 N +HETATM 220 HN1 NH2 A 13 -3.767 5.690 -2.099 1.00 0.00 H +HETATM 221 HN2 NH2 A 13 -5.269 6.469 -2.605 1.00 0.00 H +ENDMDL +MODEL 19 +ATOM 1 N SER A 1 -3.475 9.462 0.192 1.00 0.00 N +ATOM 2 CA SER A 1 -3.445 8.427 1.241 1.00 0.00 C +ATOM 3 C SER A 1 -2.699 7.168 0.792 1.00 0.00 C +ATOM 4 O SER A 1 -2.261 7.044 -0.344 1.00 0.00 O +ATOM 5 CB SER A 1 -4.871 8.054 1.681 1.00 0.00 C +ATOM 6 OG SER A 1 -4.842 7.334 2.901 1.00 0.00 O +ATOM 7 HA SER A 1 -2.928 8.849 2.105 1.00 0.00 H +ATOM 8 HB2 SER A 1 -5.458 8.959 1.827 1.00 0.00 H +ATOM 9 HB3 SER A 1 -5.341 7.442 0.909 1.00 0.00 H +ATOM 10 HG SER A 1 -5.307 6.495 2.785 1.00 0.00 H +ATOM 11 H1 SER A 1 -2.552 9.861 0.089 1.00 0.00 H +ATOM 12 H2 SER A 1 -4.126 10.188 0.452 1.00 0.00 H +ATOM 13 H3 SER A 1 -3.760 9.047 -0.684 1.00 0.00 H +ATOM 14 N TRP A 2 -2.569 6.267 1.746 1.00 0.00 N +ATOM 15 CA TRP A 2 -2.152 4.873 1.567 1.00 0.00 C +ATOM 16 C TRP A 2 -3.345 3.988 1.221 1.00 0.00 C +ATOM 17 O TRP A 2 -4.486 4.267 1.591 1.00 0.00 O +ATOM 18 CB TRP A 2 -1.520 4.413 2.887 1.00 0.00 C +ATOM 19 CG TRP A 2 -0.168 4.977 3.163 1.00 0.00 C +ATOM 20 CD1 TRP A 2 0.133 5.980 4.024 1.00 0.00 C +ATOM 21 CD2 TRP A 2 1.102 4.484 2.647 1.00 0.00 C +ATOM 22 NE1 TRP A 2 1.509 6.186 4.015 1.00 0.00 N +ATOM 23 CE2 TRP A 2 2.157 5.241 3.233 1.00 0.00 C +ATOM 24 CE3 TRP A 2 1.455 3.442 1.772 1.00 0.00 C +ATOM 25 CZ2 TRP A 2 3.506 4.944 2.987 1.00 0.00 C +ATOM 26 CZ3 TRP A 2 2.803 3.142 1.498 1.00 0.00 C +ATOM 27 CH2 TRP A 2 3.827 3.888 2.111 1.00 0.00 C +ATOM 28 H TRP A 2 -3.009 6.488 2.625 1.00 0.00 H +ATOM 29 HA TRP A 2 -1.422 4.822 0.754 1.00 0.00 H +ATOM 30 HB2 TRP A 2 -2.192 4.660 3.713 1.00 0.00 H +ATOM 31 HB3 TRP A 2 -1.423 3.329 2.865 1.00 0.00 H +ATOM 32 HD1 TRP A 2 -0.584 6.560 4.577 1.00 0.00 H +ATOM 33 HE1 TRP A 2 1.962 6.918 4.534 1.00 0.00 H +ATOM 34 HE3 TRP A 2 0.661 2.850 1.348 1.00 0.00 H +ATOM 35 HZ2 TRP A 2 4.288 5.516 3.461 1.00 0.00 H +ATOM 36 HZ3 TRP A 2 3.054 2.315 0.851 1.00 0.00 H +ATOM 37 HH2 TRP A 2 4.860 3.638 1.914 1.00 0.00 H +ATOM 38 N THR A 3 -3.096 2.896 0.501 1.00 0.00 N +ATOM 39 CA THR A 3 -4.067 1.855 0.153 1.00 0.00 C +ATOM 40 C THR A 3 -3.411 0.475 0.244 1.00 0.00 C +ATOM 41 O THR A 3 -2.277 0.299 -0.193 1.00 0.00 O +ATOM 42 CB THR A 3 -4.631 2.111 -1.252 1.00 0.00 C +ATOM 43 OG1 THR A 3 -5.160 3.419 -1.301 1.00 0.00 O +ATOM 44 CG2 THR A 3 -5.774 1.154 -1.592 1.00 0.00 C +ATOM 45 H THR A 3 -2.147 2.774 0.131 1.00 0.00 H +ATOM 46 HA THR A 3 -4.889 1.892 0.866 1.00 0.00 H +ATOM 47 HB THR A 3 -3.842 2.014 -1.999 1.00 0.00 H +ATOM 48 HG1 THR A 3 -5.127 3.775 -0.404 1.00 0.00 H +ATOM 49 HG21 THR A 3 -6.329 1.537 -2.450 1.00 0.00 H +ATOM 50 HG22 THR A 3 -5.377 0.169 -1.843 1.00 0.00 H +ATOM 51 HG23 THR A 3 -6.458 1.067 -0.746 1.00 0.00 H +ATOM 52 N TRP A 4 -4.073 -0.465 0.923 1.00 0.00 N +ATOM 53 CA TRP A 4 -3.675 -1.874 0.999 1.00 0.00 C +ATOM 54 C TRP A 4 -3.918 -2.580 -0.347 1.00 0.00 C +ATOM 55 O TRP A 4 -5.058 -2.658 -0.799 1.00 0.00 O +ATOM 56 CB TRP A 4 -4.463 -2.525 2.144 1.00 0.00 C +ATOM 57 CG TRP A 4 -4.197 -3.975 2.445 1.00 0.00 C +ATOM 58 CD1 TRP A 4 -4.983 -5.002 2.041 1.00 0.00 C +ATOM 59 CD2 TRP A 4 -3.173 -4.578 3.298 1.00 0.00 C +ATOM 60 NE1 TRP A 4 -4.540 -6.179 2.610 1.00 0.00 N +ATOM 61 CE2 TRP A 4 -3.435 -5.972 3.406 1.00 0.00 C +ATOM 62 CE3 TRP A 4 -2.055 -4.103 4.001 1.00 0.00 C +ATOM 63 CZ2 TRP A 4 -2.678 -6.824 4.222 1.00 0.00 C +ATOM 64 CZ3 TRP A 4 -1.271 -4.936 4.811 1.00 0.00 C +ATOM 65 CH2 TRP A 4 -1.593 -6.297 4.941 1.00 0.00 C +ATOM 66 H TRP A 4 -4.983 -0.236 1.292 1.00 0.00 H +ATOM 67 HA TRP A 4 -2.616 -1.936 1.242 1.00 0.00 H +ATOM 68 HB2 TRP A 4 -4.274 -1.971 3.041 1.00 0.00 H +ATOM 69 HB3 TRP A 4 -5.527 -2.425 1.922 1.00 0.00 H +ATOM 70 HD1 TRP A 4 -5.855 -4.888 1.410 1.00 0.00 H +ATOM 71 HE1 TRP A 4 -5.017 -7.065 2.505 1.00 0.00 H +ATOM 72 HE3 TRP A 4 -1.783 -3.091 3.891 1.00 0.00 H +ATOM 73 HZ2 TRP A 4 -2.939 -7.873 4.321 1.00 0.00 H +ATOM 74 HZ3 TRP A 4 -0.437 -4.516 5.343 1.00 0.00 H +ATOM 75 HH2 TRP A 4 -1.000 -6.937 5.580 1.00 0.00 H +ATOM 76 N GLU A 5 -2.853 -3.060 -0.996 1.00 0.00 N +ATOM 77 CA GLU A 5 -2.912 -3.847 -2.228 1.00 0.00 C +ATOM 78 C GLU A 5 -2.139 -5.160 -2.051 1.00 0.00 C +ATOM 79 O GLU A 5 -0.931 -5.163 -1.807 1.00 0.00 O +ATOM 80 CB GLU A 5 -2.420 -3.037 -3.442 1.00 0.00 C +ATOM 81 CG GLU A 5 -2.558 -3.818 -4.763 1.00 0.00 C +ATOM 82 CD GLU A 5 -3.989 -4.297 -5.027 1.00 0.00 C +ATOM 83 OE1 GLU A 5 -4.873 -3.421 -5.156 1.00 0.00 O +ATOM 84 OE2 GLU A 5 -4.178 -5.530 -5.081 1.00 0.00 O +ATOM 85 H GLU A 5 -1.951 -3.023 -0.520 1.00 0.00 H +ATOM 86 HA GLU A 5 -3.957 -4.096 -2.415 1.00 0.00 H +ATOM 87 HB2 GLU A 5 -3.004 -2.119 -3.518 1.00 0.00 H +ATOM 88 HB3 GLU A 5 -1.373 -2.764 -3.303 1.00 0.00 H +ATOM 89 HG2 GLU A 5 -2.246 -3.178 -5.589 1.00 0.00 H +ATOM 90 HG3 GLU A 5 -1.887 -4.679 -4.744 1.00 0.00 H +ATOM 91 N ASN A 6 -2.880 -6.271 -2.136 1.00 0.00 N +ATOM 92 CA ASN A 6 -2.442 -7.667 -2.128 1.00 0.00 C +ATOM 93 C ASN A 6 -1.140 -7.940 -1.337 1.00 0.00 C +ATOM 94 O ASN A 6 -0.096 -8.275 -1.907 1.00 0.00 O +ATOM 95 CB ASN A 6 -2.427 -8.196 -3.573 1.00 0.00 C +ATOM 96 CG ASN A 6 -2.430 -9.716 -3.610 1.00 0.00 C +ATOM 97 OD1 ASN A 6 -3.441 -10.351 -3.852 1.00 0.00 O +ATOM 98 ND2 ASN A 6 -1.307 -10.336 -3.320 1.00 0.00 N +ATOM 99 H ASN A 6 -3.859 -6.127 -2.336 1.00 0.00 H +ATOM 100 HA ASN A 6 -3.225 -8.225 -1.612 1.00 0.00 H +ATOM 101 HB2 ASN A 6 -3.324 -7.859 -4.096 1.00 0.00 H +ATOM 102 HB3 ASN A 6 -1.558 -7.814 -4.110 1.00 0.00 H +ATOM 103 HD21 ASN A 6 -0.514 -9.779 -3.006 1.00 0.00 H +ATOM 104 HD22 ASN A 6 -1.336 -11.340 -3.304 1.00 0.00 H +ATOM 105 N GLY A 7 -1.252 -7.872 -0.004 1.00 0.00 N +ATOM 106 CA GLY A 7 -0.190 -8.206 0.946 1.00 0.00 C +ATOM 107 C GLY A 7 0.556 -6.997 1.544 1.00 0.00 C +ATOM 108 O GLY A 7 1.116 -7.134 2.617 1.00 0.00 O +ATOM 109 H GLY A 7 -2.139 -7.567 0.370 1.00 0.00 H +ATOM 110 HA2 GLY A 7 -0.606 -8.792 1.767 1.00 0.00 H +ATOM 111 HA3 GLY A 7 0.556 -8.830 0.457 1.00 0.00 H +ATOM 112 N LYS A 8 0.540 -5.840 0.870 1.00 0.00 N +ATOM 113 CA LYS A 8 1.275 -4.642 1.310 1.00 0.00 C +ATOM 114 C LYS A 8 0.425 -3.373 1.235 1.00 0.00 C +ATOM 115 O LYS A 8 -0.694 -3.400 0.719 1.00 0.00 O +ATOM 116 CB LYS A 8 2.602 -4.535 0.528 1.00 0.00 C +ATOM 117 CG LYS A 8 2.443 -4.404 -0.999 1.00 0.00 C +ATOM 118 CD LYS A 8 3.810 -4.476 -1.703 1.00 0.00 C +ATOM 119 CE LYS A 8 3.709 -5.020 -3.133 1.00 0.00 C +ATOM 120 NZ LYS A 8 3.338 -6.447 -3.150 1.00 0.00 N +ATOM 121 H LYS A 8 0.047 -5.788 -0.011 1.00 0.00 H +ATOM 122 HA LYS A 8 1.534 -4.794 2.352 1.00 0.00 H +ATOM 123 HB2 LYS A 8 3.174 -3.680 0.897 1.00 0.00 H +ATOM 124 HB3 LYS A 8 3.185 -5.435 0.739 1.00 0.00 H +ATOM 125 HG2 LYS A 8 1.809 -5.215 -1.357 1.00 0.00 H +ATOM 126 HG3 LYS A 8 1.960 -3.458 -1.246 1.00 0.00 H +ATOM 127 HD2 LYS A 8 4.246 -3.476 -1.733 1.00 0.00 H +ATOM 128 HD3 LYS A 8 4.490 -5.124 -1.145 1.00 0.00 H +ATOM 129 HE2 LYS A 8 2.971 -4.444 -3.691 1.00 0.00 H +ATOM 130 HE3 LYS A 8 4.681 -4.910 -3.617 1.00 0.00 H +ATOM 131 HZ1 LYS A 8 3.338 -6.788 -4.100 1.00 0.00 H +ATOM 132 HZ2 LYS A 8 4.005 -6.974 -2.604 1.00 0.00 H +ATOM 133 HZ3 LYS A 8 2.417 -6.561 -2.749 1.00 0.00 H +ATOM 134 N TRP A 9 0.959 -2.253 1.716 1.00 0.00 N +ATOM 135 CA TRP A 9 0.390 -0.923 1.484 1.00 0.00 C +ATOM 136 C TRP A 9 1.145 -0.264 0.319 1.00 0.00 C +ATOM 137 O TRP A 9 2.346 -0.475 0.156 1.00 0.00 O +ATOM 138 CB TRP A 9 0.489 -0.023 2.736 1.00 0.00 C +ATOM 139 CG TRP A 9 -0.321 -0.357 3.964 1.00 0.00 C +ATOM 140 CD1 TRP A 9 0.150 -1.001 5.057 1.00 0.00 C +ATOM 141 CD2 TRP A 9 -1.675 0.074 4.309 1.00 0.00 C +ATOM 142 NE1 TRP A 9 -0.821 -1.005 6.033 1.00 0.00 N +ATOM 143 CE2 TRP A 9 -1.946 -0.312 5.646 1.00 0.00 C +ATOM 144 CE3 TRP A 9 -2.668 0.823 3.652 1.00 0.00 C +ATOM 145 CZ2 TRP A 9 -3.134 0.026 6.300 1.00 0.00 C +ATOM 146 CZ3 TRP A 9 -3.865 1.180 4.295 1.00 0.00 C +ATOM 147 CH2 TRP A 9 -4.100 0.781 5.618 1.00 0.00 C +ATOM 148 H TRP A 9 1.912 -2.302 2.052 1.00 0.00 H +ATOM 149 HA TRP A 9 -0.660 -1.009 1.210 1.00 0.00 H +ATOM 150 HB2 TRP A 9 1.535 0.106 3.029 1.00 0.00 H +ATOM 151 HB3 TRP A 9 0.144 0.963 2.434 1.00 0.00 H +ATOM 152 HD1 TRP A 9 1.138 -1.428 5.144 1.00 0.00 H +ATOM 153 HE1 TRP A 9 -0.699 -1.437 6.943 1.00 0.00 H +ATOM 154 HE3 TRP A 9 -2.512 1.134 2.624 1.00 0.00 H +ATOM 155 HZ2 TRP A 9 -3.308 -0.288 7.324 1.00 0.00 H +ATOM 156 HZ3 TRP A 9 -4.616 1.757 3.767 1.00 0.00 H +ATOM 157 HH2 TRP A 9 -5.025 1.058 6.112 1.00 0.00 H +ATOM 158 N THR A 10 0.475 0.646 -0.388 1.00 0.00 N +ATOM 159 CA THR A 10 1.042 1.536 -1.410 1.00 0.00 C +ATOM 160 C THR A 10 0.430 2.931 -1.253 1.00 0.00 C +ATOM 161 O THR A 10 -0.742 3.057 -0.911 1.00 0.00 O +ATOM 162 CB THR A 10 0.847 0.958 -2.824 1.00 0.00 C +ATOM 163 OG1 THR A 10 1.222 1.910 -3.800 1.00 0.00 O +ATOM 164 CG2 THR A 10 -0.574 0.469 -3.131 1.00 0.00 C +ATOM 165 H THR A 10 -0.532 0.716 -0.238 1.00 0.00 H +ATOM 166 HA THR A 10 2.116 1.628 -1.243 1.00 0.00 H +ATOM 167 HB THR A 10 1.515 0.103 -2.925 1.00 0.00 H +ATOM 168 HG1 THR A 10 0.554 2.606 -3.869 1.00 0.00 H +ATOM 169 HG21 THR A 10 -0.650 0.209 -4.186 1.00 0.00 H +ATOM 170 HG22 THR A 10 -0.783 -0.426 -2.543 1.00 0.00 H +ATOM 171 HG23 THR A 10 -1.310 1.236 -2.888 1.00 0.00 H +ATOM 172 N TRP A 11 1.206 3.983 -1.508 1.00 0.00 N +ATOM 173 CA TRP A 11 0.673 5.344 -1.576 1.00 0.00 C +ATOM 174 C TRP A 11 -0.148 5.514 -2.867 1.00 0.00 C +ATOM 175 O TRP A 11 0.145 4.873 -3.883 1.00 0.00 O +ATOM 176 CB TRP A 11 1.839 6.342 -1.479 1.00 0.00 C +ATOM 177 CG TRP A 11 1.478 7.790 -1.335 1.00 0.00 C +ATOM 178 CD1 TRP A 11 1.695 8.759 -2.255 1.00 0.00 C +ATOM 179 CD2 TRP A 11 0.879 8.461 -0.187 1.00 0.00 C +ATOM 180 NE1 TRP A 11 1.283 9.978 -1.749 1.00 0.00 N +ATOM 181 CE2 TRP A 11 0.767 9.851 -0.474 1.00 0.00 C +ATOM 182 CE3 TRP A 11 0.428 8.029 1.076 1.00 0.00 C +ATOM 183 CZ2 TRP A 11 0.245 10.772 0.450 1.00 0.00 C +ATOM 184 CZ3 TRP A 11 -0.104 8.936 2.010 1.00 0.00 C +ATOM 185 CH2 TRP A 11 -0.192 10.305 1.702 1.00 0.00 C +ATOM 186 H TRP A 11 2.159 3.830 -1.790 1.00 0.00 H +ATOM 187 HA TRP A 11 0.014 5.517 -0.730 1.00 0.00 H +ATOM 188 HB2 TRP A 11 2.423 6.080 -0.593 1.00 0.00 H +ATOM 189 HB3 TRP A 11 2.498 6.226 -2.338 1.00 0.00 H +ATOM 190 HD1 TRP A 11 2.160 8.600 -3.221 1.00 0.00 H +ATOM 191 HE1 TRP A 11 1.393 10.855 -2.240 1.00 0.00 H +ATOM 192 HE3 TRP A 11 0.495 6.979 1.320 1.00 0.00 H +ATOM 193 HZ2 TRP A 11 0.203 11.825 0.209 1.00 0.00 H +ATOM 194 HZ3 TRP A 11 -0.446 8.572 2.953 1.00 0.00 H +ATOM 195 HH2 TRP A 11 -0.579 10.991 2.442 1.00 0.00 H +ATOM 196 N LYS A 12 -1.160 6.394 -2.832 1.00 0.00 N +ATOM 197 CA LYS A 12 -2.020 6.760 -3.971 1.00 0.00 C +ATOM 198 C LYS A 12 -2.348 8.261 -4.021 1.00 0.00 C +ATOM 199 O LYS A 12 -2.711 8.782 -5.068 1.00 0.00 O +ATOM 200 CB LYS A 12 -3.302 5.900 -3.928 1.00 0.00 C +ATOM 201 CG LYS A 12 -4.075 5.914 -5.262 1.00 0.00 C +ATOM 202 CD LYS A 12 -5.131 4.799 -5.336 1.00 0.00 C +ATOM 203 CE LYS A 12 -4.555 3.557 -6.027 1.00 0.00 C +ATOM 204 NZ LYS A 12 -5.252 2.325 -5.624 1.00 0.00 N +ATOM 205 H LYS A 12 -1.398 6.758 -1.913 1.00 0.00 H +ATOM 206 HA LYS A 12 -1.490 6.527 -4.895 1.00 0.00 H +ATOM 207 HB2 LYS A 12 -3.028 4.869 -3.695 1.00 0.00 H +ATOM 208 HB3 LYS A 12 -3.958 6.261 -3.132 1.00 0.00 H +ATOM 209 HG2 LYS A 12 -4.574 6.877 -5.371 1.00 0.00 H +ATOM 210 HG3 LYS A 12 -3.374 5.800 -6.093 1.00 0.00 H +ATOM 211 HD2 LYS A 12 -5.473 4.550 -4.330 1.00 0.00 H +ATOM 212 HD3 LYS A 12 -5.989 5.149 -5.914 1.00 0.00 H +ATOM 213 HE2 LYS A 12 -4.642 3.682 -7.108 1.00 0.00 H +ATOM 214 HE3 LYS A 12 -3.501 3.463 -5.770 1.00 0.00 H +ATOM 215 HZ1 LYS A 12 -6.205 2.342 -5.958 1.00 0.00 H +ATOM 216 HZ2 LYS A 12 -4.771 1.526 -6.015 1.00 0.00 H +ATOM 217 HZ3 LYS A 12 -5.249 2.256 -4.616 1.00 0.00 H +TER 218 LYS A 12 +HETATM 219 N NH2 A 13 -2.194 8.996 -2.925 1.00 0.00 N +HETATM 220 HN1 NH2 A 13 -1.896 8.575 -2.059 1.00 0.00 H +HETATM 221 HN2 NH2 A 13 -2.393 9.979 -3.002 1.00 0.00 H +ENDMDL +MODEL 20 +ATOM 1 N SER A 1 -3.111 8.654 -0.154 1.00 0.00 N +ATOM 2 CA SER A 1 -3.568 7.913 1.032 1.00 0.00 C +ATOM 3 C SER A 1 -3.016 6.492 0.982 1.00 0.00 C +ATOM 4 O SER A 1 -3.273 5.775 0.006 1.00 0.00 O +ATOM 5 CB SER A 1 -5.100 7.885 1.101 1.00 0.00 C +ATOM 6 OG SER A 1 -5.625 9.185 0.913 1.00 0.00 O +ATOM 7 HA SER A 1 -3.195 8.421 1.921 1.00 0.00 H +ATOM 8 HB2 SER A 1 -5.492 7.224 0.327 1.00 0.00 H +ATOM 9 HB3 SER A 1 -5.409 7.516 2.080 1.00 0.00 H +ATOM 10 HG SER A 1 -6.586 9.142 0.940 1.00 0.00 H +ATOM 11 H1 SER A 1 -2.396 9.313 0.121 1.00 0.00 H +ATOM 12 H2 SER A 1 -3.889 9.151 -0.563 1.00 0.00 H +ATOM 13 H3 SER A 1 -2.727 8.004 -0.825 1.00 0.00 H +ATOM 14 N TRP A 2 -2.234 6.083 1.992 1.00 0.00 N +ATOM 15 CA TRP A 2 -1.826 4.683 2.117 1.00 0.00 C +ATOM 16 C TRP A 2 -3.035 3.742 2.086 1.00 0.00 C +ATOM 17 O TRP A 2 -3.884 3.760 2.974 1.00 0.00 O +ATOM 18 CB TRP A 2 -0.910 4.404 3.316 1.00 0.00 C +ATOM 19 CG TRP A 2 0.433 5.068 3.257 1.00 0.00 C +ATOM 20 CD1 TRP A 2 0.800 6.134 4.001 1.00 0.00 C +ATOM 21 CD2 TRP A 2 1.606 4.721 2.446 1.00 0.00 C +ATOM 22 NE1 TRP A 2 2.096 6.494 3.692 1.00 0.00 N +ATOM 23 CE2 TRP A 2 2.655 5.635 2.769 1.00 0.00 C +ATOM 24 CE3 TRP A 2 1.908 3.725 1.488 1.00 0.00 C +ATOM 25 CZ2 TRP A 2 3.933 5.558 2.196 1.00 0.00 C +ATOM 26 CZ3 TRP A 2 3.188 3.635 0.902 1.00 0.00 C +ATOM 27 CH2 TRP A 2 4.203 4.544 1.260 1.00 0.00 C +ATOM 28 H TRP A 2 -2.000 6.720 2.738 1.00 0.00 H +ATOM 29 HA TRP A 2 -1.254 4.469 1.231 1.00 0.00 H +ATOM 30 HB2 TRP A 2 -1.420 4.681 4.241 1.00 0.00 H +ATOM 31 HB3 TRP A 2 -0.735 3.327 3.359 1.00 0.00 H +ATOM 32 HD1 TRP A 2 0.167 6.623 4.729 1.00 0.00 H +ATOM 33 HE1 TRP A 2 2.573 7.282 4.108 1.00 0.00 H +ATOM 34 HE3 TRP A 2 1.149 3.008 1.221 1.00 0.00 H +ATOM 35 HZ2 TRP A 2 4.703 6.260 2.483 1.00 0.00 H +ATOM 36 HZ3 TRP A 2 3.403 2.853 0.185 1.00 0.00 H +ATOM 37 HH2 TRP A 2 5.188 4.456 0.823 1.00 0.00 H +ATOM 38 N THR A 3 -3.112 2.967 1.003 1.00 0.00 N +ATOM 39 CA THR A 3 -4.193 2.061 0.623 1.00 0.00 C +ATOM 40 C THR A 3 -3.596 0.663 0.420 1.00 0.00 C +ATOM 41 O THR A 3 -2.405 0.525 0.139 1.00 0.00 O +ATOM 42 CB THR A 3 -4.885 2.568 -0.655 1.00 0.00 C +ATOM 43 OG1 THR A 3 -5.162 3.953 -0.584 1.00 0.00 O +ATOM 44 CG2 THR A 3 -6.233 1.870 -0.845 1.00 0.00 C +ATOM 45 H THR A 3 -2.328 3.020 0.357 1.00 0.00 H +ATOM 46 HA THR A 3 -4.935 2.024 1.422 1.00 0.00 H +ATOM 47 HB THR A 3 -4.245 2.377 -1.518 1.00 0.00 H +ATOM 48 HG1 THR A 3 -4.349 4.449 -0.362 1.00 0.00 H +ATOM 49 HG21 THR A 3 -6.729 2.270 -1.729 1.00 0.00 H +ATOM 50 HG22 THR A 3 -6.097 0.798 -0.981 1.00 0.00 H +ATOM 51 HG23 THR A 3 -6.867 2.051 0.025 1.00 0.00 H +ATOM 52 N TRP A 4 -4.361 -0.389 0.708 1.00 0.00 N +ATOM 53 CA TRP A 4 -3.836 -1.752 0.698 1.00 0.00 C +ATOM 54 C TRP A 4 -3.868 -2.425 -0.678 1.00 0.00 C +ATOM 55 O TRP A 4 -4.913 -2.507 -1.324 1.00 0.00 O +ATOM 56 CB TRP A 4 -4.589 -2.568 1.754 1.00 0.00 C +ATOM 57 CG TRP A 4 -4.326 -4.039 1.761 1.00 0.00 C +ATOM 58 CD1 TRP A 4 -5.026 -4.973 1.078 1.00 0.00 C +ATOM 59 CD2 TRP A 4 -3.337 -4.768 2.538 1.00 0.00 C +ATOM 60 NE1 TRP A 4 -4.554 -6.231 1.402 1.00 0.00 N +ATOM 61 CE2 TRP A 4 -3.548 -6.161 2.344 1.00 0.00 C +ATOM 62 CE3 TRP A 4 -2.318 -4.385 3.429 1.00 0.00 C +ATOM 63 CZ2 TRP A 4 -2.813 -7.129 3.043 1.00 0.00 C +ATOM 64 CZ3 TRP A 4 -1.570 -5.341 4.135 1.00 0.00 C +ATOM 65 CH2 TRP A 4 -1.825 -6.711 3.953 1.00 0.00 C +ATOM 66 H TRP A 4 -5.325 -0.249 0.968 1.00 0.00 H +ATOM 67 HA TRP A 4 -2.786 -1.697 0.968 1.00 0.00 H +ATOM 68 HB2 TRP A 4 -4.328 -2.173 2.736 1.00 0.00 H +ATOM 69 HB3 TRP A 4 -5.663 -2.427 1.633 1.00 0.00 H +ATOM 70 HD1 TRP A 4 -5.855 -4.753 0.414 1.00 0.00 H +ATOM 71 HE1 TRP A 4 -4.964 -7.083 1.046 1.00 0.00 H +ATOM 72 HE3 TRP A 4 -2.138 -3.333 3.582 1.00 0.00 H +ATOM 73 HZ2 TRP A 4 -3.009 -8.179 2.886 1.00 0.00 H +ATOM 74 HZ3 TRP A 4 -0.811 -5.017 4.835 1.00 0.00 H +ATOM 75 HH2 TRP A 4 -1.255 -7.440 4.512 1.00 0.00 H +ATOM 76 N GLU A 5 -2.724 -2.999 -1.070 1.00 0.00 N +ATOM 77 CA GLU A 5 -2.552 -3.833 -2.251 1.00 0.00 C +ATOM 78 C GLU A 5 -1.991 -5.202 -1.843 1.00 0.00 C +ATOM 79 O GLU A 5 -0.790 -5.355 -1.631 1.00 0.00 O +ATOM 80 CB GLU A 5 -1.647 -3.123 -3.273 1.00 0.00 C +ATOM 81 CG GLU A 5 -1.413 -3.920 -4.569 1.00 0.00 C +ATOM 82 CD GLU A 5 -2.659 -4.018 -5.451 1.00 0.00 C +ATOM 83 OE1 GLU A 5 -3.585 -4.763 -5.064 1.00 0.00 O +ATOM 84 OE2 GLU A 5 -2.658 -3.357 -6.514 1.00 0.00 O +ATOM 85 H GLU A 5 -1.890 -2.901 -0.492 1.00 0.00 H +ATOM 86 HA GLU A 5 -3.529 -3.972 -2.708 1.00 0.00 H +ATOM 87 HB2 GLU A 5 -2.080 -2.156 -3.528 1.00 0.00 H +ATOM 88 HB3 GLU A 5 -0.677 -2.951 -2.807 1.00 0.00 H +ATOM 89 HG2 GLU A 5 -0.620 -3.426 -5.133 1.00 0.00 H +ATOM 90 HG3 GLU A 5 -1.061 -4.925 -4.334 1.00 0.00 H +ATOM 91 N ASN A 6 -2.885 -6.186 -1.705 1.00 0.00 N +ATOM 92 CA ASN A 6 -2.633 -7.626 -1.565 1.00 0.00 C +ATOM 93 C ASN A 6 -1.295 -8.010 -0.896 1.00 0.00 C +ATOM 94 O ASN A 6 -0.433 -8.646 -1.501 1.00 0.00 O +ATOM 95 CB ASN A 6 -2.878 -8.264 -2.947 1.00 0.00 C +ATOM 96 CG ASN A 6 -4.325 -8.059 -3.385 1.00 0.00 C +ATOM 97 OD1 ASN A 6 -5.241 -8.026 -2.578 1.00 0.00 O +ATOM 98 ND2 ASN A 6 -4.584 -7.872 -4.661 1.00 0.00 N +ATOM 99 H ASN A 6 -3.850 -5.931 -1.861 1.00 0.00 H +ATOM 100 HA ASN A 6 -3.400 -8.025 -0.901 1.00 0.00 H +ATOM 101 HB2 ASN A 6 -2.201 -7.818 -3.677 1.00 0.00 H +ATOM 102 HB3 ASN A 6 -2.683 -9.335 -2.900 1.00 0.00 H +ATOM 103 HD21 ASN A 6 -3.869 -7.850 -5.367 1.00 0.00 H +ATOM 104 HD22 ASN A 6 -5.555 -7.698 -4.855 1.00 0.00 H +ATOM 105 N GLY A 7 -1.169 -7.668 0.392 1.00 0.00 N +ATOM 106 CA GLY A 7 0.004 -7.904 1.238 1.00 0.00 C +ATOM 107 C GLY A 7 0.893 -6.683 1.494 1.00 0.00 C +ATOM 108 O GLY A 7 1.699 -6.745 2.421 1.00 0.00 O +ATOM 109 H GLY A 7 -1.922 -7.137 0.806 1.00 0.00 H +ATOM 110 HA2 GLY A 7 -0.326 -8.287 2.202 1.00 0.00 H +ATOM 111 HA3 GLY A 7 0.631 -8.673 0.783 1.00 0.00 H +ATOM 112 N LYS A 8 0.757 -5.584 0.731 1.00 0.00 N +ATOM 113 CA LYS A 8 1.609 -4.387 0.824 1.00 0.00 C +ATOM 114 C LYS A 8 0.770 -3.092 0.898 1.00 0.00 C +ATOM 115 O LYS A 8 -0.313 -2.997 0.318 1.00 0.00 O +ATOM 116 CB LYS A 8 2.603 -4.399 -0.366 1.00 0.00 C +ATOM 117 CG LYS A 8 3.502 -5.660 -0.460 1.00 0.00 C +ATOM 118 CD LYS A 8 4.453 -5.801 0.745 1.00 0.00 C +ATOM 119 CE LYS A 8 5.290 -7.088 0.764 1.00 0.00 C +ATOM 120 NZ LYS A 8 4.500 -8.283 1.122 1.00 0.00 N +ATOM 121 H LYS A 8 0.096 -5.614 -0.047 1.00 0.00 H +ATOM 122 HA LYS A 8 2.181 -4.432 1.749 1.00 0.00 H +ATOM 123 HB2 LYS A 8 2.037 -4.318 -1.295 1.00 0.00 H +ATOM 124 HB3 LYS A 8 3.250 -3.523 -0.299 1.00 0.00 H +ATOM 125 HG2 LYS A 8 2.884 -6.554 -0.555 1.00 0.00 H +ATOM 126 HG3 LYS A 8 4.105 -5.588 -1.368 1.00 0.00 H +ATOM 127 HD2 LYS A 8 5.136 -4.953 0.736 1.00 0.00 H +ATOM 128 HD3 LYS A 8 3.890 -5.760 1.672 1.00 0.00 H +ATOM 129 HE2 LYS A 8 5.766 -7.239 -0.203 1.00 0.00 H +ATOM 130 HE3 LYS A 8 6.067 -6.969 1.520 1.00 0.00 H +ATOM 131 HZ1 LYS A 8 5.112 -9.084 1.172 1.00 0.00 H +ATOM 132 HZ2 LYS A 8 4.063 -8.143 2.023 1.00 0.00 H +ATOM 133 HZ3 LYS A 8 3.789 -8.448 0.425 1.00 0.00 H +ATOM 134 N TRP A 9 1.256 -2.072 1.618 1.00 0.00 N +ATOM 135 CA TRP A 9 0.633 -0.737 1.660 1.00 0.00 C +ATOM 136 C TRP A 9 1.199 0.126 0.522 1.00 0.00 C +ATOM 137 O TRP A 9 2.413 0.240 0.363 1.00 0.00 O +ATOM 138 CB TRP A 9 0.822 -0.043 3.028 1.00 0.00 C +ATOM 139 CG TRP A 9 -0.060 -0.501 4.163 1.00 0.00 C +ATOM 140 CD1 TRP A 9 0.368 -1.128 5.284 1.00 0.00 C +ATOM 141 CD2 TRP A 9 -1.498 -0.288 4.364 1.00 0.00 C +ATOM 142 NE1 TRP A 9 -0.701 -1.359 6.131 1.00 0.00 N +ATOM 143 CE2 TRP A 9 -1.879 -0.875 5.609 1.00 0.00 C +ATOM 144 CE3 TRP A 9 -2.512 0.389 3.655 1.00 0.00 C +ATOM 145 CZ2 TRP A 9 -3.201 -0.857 6.085 1.00 0.00 C +ATOM 146 CZ3 TRP A 9 -3.835 0.447 4.136 1.00 0.00 C +ATOM 147 CH2 TRP A 9 -4.189 -0.195 5.334 1.00 0.00 C +ATOM 148 H TRP A 9 2.171 -2.174 2.029 1.00 0.00 H +ATOM 149 HA TRP A 9 -0.441 -0.840 1.496 1.00 0.00 H +ATOM 150 HB2 TRP A 9 1.869 -0.103 3.336 1.00 0.00 H +ATOM 151 HB3 TRP A 9 0.609 1.018 2.888 1.00 0.00 H +ATOM 152 HD1 TRP A 9 1.396 -1.398 5.488 1.00 0.00 H +ATOM 153 HE1 TRP A 9 -0.614 -1.788 7.041 1.00 0.00 H +ATOM 154 HE3 TRP A 9 -2.255 0.898 2.742 1.00 0.00 H +ATOM 155 HZ2 TRP A 9 -3.459 -1.339 7.016 1.00 0.00 H +ATOM 156 HZ3 TRP A 9 -4.591 0.978 3.576 1.00 0.00 H +ATOM 157 HH2 TRP A 9 -5.212 -0.168 5.683 1.00 0.00 H +ATOM 158 N THR A 10 0.310 0.768 -0.238 1.00 0.00 N +ATOM 159 CA THR A 10 0.584 1.515 -1.477 1.00 0.00 C +ATOM 160 C THR A 10 0.035 2.941 -1.364 1.00 0.00 C +ATOM 161 O THR A 10 -0.818 3.185 -0.524 1.00 0.00 O +ATOM 162 CB THR A 10 -0.084 0.782 -2.656 1.00 0.00 C +ATOM 163 OG1 THR A 10 0.335 -0.562 -2.680 1.00 0.00 O +ATOM 164 CG2 THR A 10 0.265 1.375 -4.020 1.00 0.00 C +ATOM 165 H THR A 10 -0.676 0.686 0.006 1.00 0.00 H +ATOM 166 HA THR A 10 1.660 1.557 -1.648 1.00 0.00 H +ATOM 167 HB THR A 10 -1.168 0.802 -2.531 1.00 0.00 H +ATOM 168 HG1 THR A 10 -0.126 -1.028 -1.978 1.00 0.00 H +ATOM 169 HG21 THR A 10 0.013 0.656 -4.799 1.00 0.00 H +ATOM 170 HG22 THR A 10 -0.312 2.283 -4.190 1.00 0.00 H +ATOM 171 HG23 THR A 10 1.331 1.592 -4.071 1.00 0.00 H +ATOM 172 N TRP A 11 0.518 3.897 -2.164 1.00 0.00 N +ATOM 173 CA TRP A 11 -0.024 5.268 -2.282 1.00 0.00 C +ATOM 174 C TRP A 11 -0.579 5.503 -3.696 1.00 0.00 C +ATOM 175 O TRP A 11 0.165 5.383 -4.668 1.00 0.00 O +ATOM 176 CB TRP A 11 1.078 6.274 -1.934 1.00 0.00 C +ATOM 177 CG TRP A 11 0.585 7.674 -1.754 1.00 0.00 C +ATOM 178 CD1 TRP A 11 0.372 8.596 -2.721 1.00 0.00 C +ATOM 179 CD2 TRP A 11 0.235 8.319 -0.499 1.00 0.00 C +ATOM 180 NE1 TRP A 11 -0.092 9.766 -2.142 1.00 0.00 N +ATOM 181 CE2 TRP A 11 -0.187 9.652 -0.770 1.00 0.00 C +ATOM 182 CE3 TRP A 11 0.244 7.898 0.843 1.00 0.00 C +ATOM 183 CZ2 TRP A 11 -0.591 10.526 0.252 1.00 0.00 C +ATOM 184 CZ3 TRP A 11 -0.142 8.768 1.878 1.00 0.00 C +ATOM 185 CH2 TRP A 11 -0.563 10.077 1.585 1.00 0.00 C +ATOM 186 H TRP A 11 1.264 3.660 -2.801 1.00 0.00 H +ATOM 187 HA TRP A 11 -0.829 5.482 -1.567 1.00 0.00 H +ATOM 188 HB2 TRP A 11 1.527 5.965 -0.991 1.00 0.00 H +ATOM 189 HB3 TRP A 11 1.875 6.263 -2.677 1.00 0.00 H +ATOM 190 HD1 TRP A 11 0.551 8.438 -3.779 1.00 0.00 H +ATOM 191 HE1 TRP A 11 -0.284 10.612 -2.661 1.00 0.00 H +ATOM 192 HE3 TRP A 11 0.573 6.894 1.066 1.00 0.00 H +ATOM 193 HZ2 TRP A 11 -0.921 11.528 0.019 1.00 0.00 H +ATOM 194 HZ3 TRP A 11 -0.104 8.433 2.902 1.00 0.00 H +ATOM 195 HH2 TRP A 11 -0.858 10.735 2.391 1.00 0.00 H +ATOM 196 N LYS A 12 -1.864 5.890 -3.808 1.00 0.00 N +ATOM 197 CA LYS A 12 -2.488 6.336 -5.074 1.00 0.00 C +ATOM 198 C LYS A 12 -2.954 7.800 -5.074 1.00 0.00 C +ATOM 199 O LYS A 12 -3.455 8.287 -6.078 1.00 0.00 O +ATOM 200 CB LYS A 12 -3.603 5.374 -5.539 1.00 0.00 C +ATOM 201 CG LYS A 12 -4.926 5.443 -4.753 1.00 0.00 C +ATOM 202 CD LYS A 12 -6.011 4.552 -5.384 1.00 0.00 C +ATOM 203 CE LYS A 12 -6.638 5.149 -6.653 1.00 0.00 C +ATOM 204 NZ LYS A 12 -7.723 4.287 -7.156 1.00 0.00 N +ATOM 205 H LYS A 12 -2.429 5.887 -2.967 1.00 0.00 H +ATOM 206 HA LYS A 12 -1.725 6.291 -5.853 1.00 0.00 H +ATOM 207 HB2 LYS A 12 -3.817 5.607 -6.584 1.00 0.00 H +ATOM 208 HB3 LYS A 12 -3.224 4.351 -5.505 1.00 0.00 H +ATOM 209 HG2 LYS A 12 -4.747 5.100 -3.733 1.00 0.00 H +ATOM 210 HG3 LYS A 12 -5.296 6.470 -4.710 1.00 0.00 H +ATOM 211 HD2 LYS A 12 -5.586 3.576 -5.620 1.00 0.00 H +ATOM 212 HD3 LYS A 12 -6.806 4.413 -4.652 1.00 0.00 H +ATOM 213 HE2 LYS A 12 -7.045 6.134 -6.423 1.00 0.00 H +ATOM 214 HE3 LYS A 12 -5.880 5.255 -7.430 1.00 0.00 H +ATOM 215 HZ1 LYS A 12 -8.382 4.109 -6.411 1.00 0.00 H +ATOM 216 HZ2 LYS A 12 -8.200 4.744 -7.921 1.00 0.00 H +ATOM 217 HZ3 LYS A 12 -7.338 3.411 -7.476 1.00 0.00 H +TER 218 LYS A 12 +HETATM 219 N NH2 A 13 -2.799 8.529 -3.976 1.00 0.00 N +HETATM 220 HN1 NH2 A 13 -2.344 8.154 -3.161 1.00 0.00 H +HETATM 221 HN2 NH2 A 13 -3.144 9.474 -4.010 1.00 0.00 H +ENDMDL +CONECT 198 219 +CONECT 219 198 220 221 +CONECT 220 219 +CONECT 221 219 +MASTER 108 0 1 0 2 0 0 6 4400 20 4 1 +END diff --git a/source/ga/input-templates/galera/1L2Y_mremd.tpl b/source/ga/input-templates/galera/1L2Y_mremd.tpl new file mode 100644 index 0000000..6eec1c8 --- /dev/null +++ b/source/ga/input-templates/galera/1L2Y_mremd.tpl @@ -0,0 +1,13 @@ +1LE1 random parameters #1 +SEED=-6086648 RE pdbref refstr ONE_LETTER rescale_mode=2 out1file extconf +nstep=5000000 ntwe=10000 ntwx=10000 lang=0 tbf t_bath=300 tau_bath=1.0 & +dt=0.10 reset_moment=1000 reset_vel=10000 damax=4.0 +nrep=20 nstex=10000 tlist mlist traj1file rest1file sync nsyn=10000 hremd={POPSIZE} tonly + 250 260 270 280 290 300 310 320 330 340 350 360 370 380 390 400 420 440 460 500 + 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 +{WEIGHTS} +{PREFIX}.pdb +14 +XSWTWENGKWTWKX +0 +0 diff --git a/source/ga/input-templates/galera/1L2Y_wham.tpl b/source/ga/input-templates/galera/1L2Y_wham.tpl new file mode 100644 index 0000000..9ccdb3e --- /dev/null +++ b/source/ga/input-templates/galera/1L2Y_wham.tpl @@ -0,0 +1,53 @@ +SEED=-3059743 n_ene=19 isampl=1 nparmset=1 nq=1 classify pdbref einicheck=1 & +rescale=2 ensembles=1 cxfile nslice=5 +nres=14 one_letter +XSWTWENGKWTWKX +0 +{WEIGHTS} +NT=20 replica umbrella +NR=1 TEMP= 250.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 260.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 270.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 280.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 290.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 300.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 310.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 320.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 330.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 340.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 350.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 360.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 370.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 380.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 390.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 400.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 420.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 440.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 460.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 500.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +nfile_cx=1 rec_start=1 rec_end=500 totraj=20 +../{PREFIX}_MD000 +CUTOFF_UP=8.0 CUTOFF_LOW=4.0 NLEVEL=-2 PDBREF & +SPLIT_BET=1 NC_FRAC_HEL=0.7 NC_FRAC_BET=0.5 NC_FRAC_PAIR=0.5 NSHIFT_PAIR=3 & +CONT_PAIR=1 NC_FRAC_PAIR=0.5 RMS_PAIR=0 +../{PREFIX}.pdb diff --git a/source/ga/input-templates/galera/1LE1_mremd.tpl b/source/ga/input-templates/galera/1LE1_mremd.tpl new file mode 100644 index 0000000..b36236a --- /dev/null +++ b/source/ga/input-templates/galera/1LE1_mremd.tpl @@ -0,0 +1,14 @@ +1LE1 random parameters #1 +SEED=-6086648 RE pdbref refstr ONE_LETTER rescale_mode=2 out1file extconf +nstep=2000000 ntwe=10000 ntwx=10000 lang=0 tbf t_bath=300 tau_bath=1.0 & +dt=0.10 reset_moment=1000 reset_vel=10000 damax=4.0 +nrep=16 nstex=10000 tlist mlist traj1file rest1file sync nsyn=10000 tonly & +hremd={POPSIZE} + 250 260 270 280 290 300 310 320 330 340 350 360 370 380 390 400 + 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 +{WEIGHTS} +{PREFIX}.pdb +14 +XSWTWENGKWTWKX +0 +0 diff --git a/source/ga/input-templates/galera/1LE1_wham.tpl b/source/ga/input-templates/galera/1LE1_wham.tpl new file mode 100644 index 0000000..f68f1e3 --- /dev/null +++ b/source/ga/input-templates/galera/1LE1_wham.tpl @@ -0,0 +1,46 @@ +SEED=-3059743 n_ene=19 isampl=1 nq=1 classify pdbref einicheck=1 & +rescale=2 ensembles=0 nslice=1 HAMIL_REP oneletter cxfile separate_parset & +nparmset={POPSIZE} +nres=14 one_letter +XSWTWENGKWTWKX +0 +{WEIGHTS} +NT=16 replica +NR=1 TEMP= 250.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 260.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 270.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 280.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 290.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 300.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 310.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 320.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 330.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 340.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 350.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 360.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 370.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 380.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 390.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 400.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +nfile_cx=1 rec_start=101 rec_end=200 totraj=256 +./{PREFIX}_mremd_MD000 +CUTOFF_UP=8.0 CUTOFF_LOW=4.0 NLEVEL=-2 PDBREF & +SPLIT_BET=1 NC_FRAC_HEL=0.7 NC_FRAC_BET=0.5 NC_FRAC_PAIR=0.5 NSHIFT_PAIR=3 & +CONT_PAIR=1 NC_FRAC_PAIR=0.5 RMS_PAIR=0 +./{PREFIX}.pdb diff --git a/source/ga/input-templates/galera/opt.csh b/source/ga/input-templates/galera/opt.csh new file mode 100755 index 0000000..a83215e --- /dev/null +++ b/source/ga/input-templates/galera/opt.csh @@ -0,0 +1,73 @@ +#!/bin/csh -f +# Script to run the program zscorezi_MPI on linux with MPICH (parallel version). +# + +echo "This job is running on host `hostname` " + +set DD = /users/kdm/lightnir/PARAM +set BIN = /users/kdm/adaml/UNRES/bin + +set POT = GB +setenv POT GB + +setenv PREFIX zscore +setenv SCRATCHDIR /tmp/`whoami` + +if ( ! -d $SCRATCHDIR ) then + mkdir $SCRATCHDIR +endif + + +hostname +ls *.cx + +hostname +ls -l /tmp + +# +# Is the specified potential in the list of valid force fields? +# +if (($POT != "LJ") && ($POT != "LJK") && ($POT != "BP") && ($POT != "GB") \ +&& ($POT != "GBV") ) then + echo "Unknown potential type $POT" + exit(1) +endif + +# 5/17/97 parameter file assignment was changed from link to SETENV statements +# +setenv BONDPAR $DD/bond_AM1.parm +setenv THETPAR $DD/theta_abinitio.parm +setenv ROTPAR $DD/rotamers_AM1_aura.10022007.parm +#setenv BONDPAR $DD/bond.parm +#setenv THETPAR $DD/thetaml.5parm +#setenv ROTPAR $DD/scgauss.parm +setenv TORPAR $DD/torsion_631Gdp.parm +setenv TORDPAR $DD/torsion_double_631Gdp.parm +setenv ELEPAR $DD/electr_631Gdp.parm +setenv SIDEPAR $DD/scinter_${POT}.parm +setenv FOURIER $DD/fourier_opt.parm.1igd_hc_iter3_3 +setenv SCPPAR $DD/scp.parm +setenv SCCORPAR $DD/rotcorr_AM1.parm + +# Set parallel environment, depending on job type (interactive or batch). + +set DEBUG = 0 + +# Choose the sidechain contact function + +setenv CONTFUNC GB +if (${CONTFUNC} == "GB") then + setenv SIDEP ${DD}/contact.3.parm +else if (${CONTFUNC} == "SCDIST") then + setenv SIDEP ${DD}/cend.3.45.parm +else if (${CONTFUNC} == "CEN") then + setenv SIDEP ${DD}/cen.parm +else if (${CONTFUNC} == "ODC") then + setenv SIDEP ${DD}/odc.parm +else if (${CONTFUNC} != "SIG") then + echo "Unknown sidechain contact function ${CONTFUNC}" + exit +endif + +limit coredumpsize 0 +$BIN/zscorezMD_sccor-T-sig-split $* diff --git a/source/ga/input-templates/galera/start_all.pbs b/source/ga/input-templates/galera/start_all.pbs new file mode 100755 index 0000000..314b306 --- /dev/null +++ b/source/ga/input-templates/galera/start_all.pbs @@ -0,0 +1,25 @@ +#PBS -N single-run +#PBS -q batch +#PBS -l nodes=32:ppn=8 +#PBS -l walltime=0:30:00 + +cd $PBS_O_WORKDIR + +rm nody +cat $PBS_NODEFILE |uniq > nody + +./unresga + +time /opt/mpi/mvapich/bin/mpirun_pbs ./unres.csh + +time /opt/mpi/mvapich/bin/mpirun -machinefile nodes -np 16 wham.csh + +time /opt/mpi/mvapich/bin/mpirun -machinefile nodes -np 16 opt.csh + + +set DATA=`date +%Y-%m-%d-%H%M%S` +mkdir ceiksy-$DATA +mv *.cx ceiksy-$DATA + + +mail -s "Galera - wyniki dla single_run sa dostepne" lightnir@gmail.com diff --git a/source/ga/input-templates/galera/unres.csh b/source/ga/input-templates/galera/unres.csh new file mode 100755 index 0000000..f9a8afa --- /dev/null +++ b/source/ga/input-templates/galera/unres.csh @@ -0,0 +1,26 @@ +#!/bin/csh -f + +set DD = /users/kdm/lightnir/PARAM +#----------------------------------------------------------------------------- +setenv FGPROCS 0 +setenv POT GB +setenv PREFIX 1LE1_mremd +setenv OUT1FILE Y +#----------------------------------------------------------------------------- +setenv UNRES_BIN /users/kdm/czarek/UNRES/NEW/bin/unres_Tc_procor_new_em64_hremd_mpich1.exe +#----------------------------------------------------------------------------- +setenv BONDPAR $DD/bond_AM1.parm +setenv THETPAR $DD/theta_abinitio.parm +setenv ROTPAR $DD/rotamers_AM1_aura.10022007.parm +setenv TORPAR $DD/torsion_631Gdp.parm +setenv TORDPAR $DD/torsion_double_631Gdp.parm +setenv ELEPAR $DD/electr_631Gdp.parm +setenv SIDEPAR $DD/scinter_${POT}.parm +setenv FOURIER $DD/fourier_opt.parm.1igd_hc_iter3_3 +setenv SCPPAR $DD/scp.parm +setenv SCCORPAR $DD/rotcorr_AM1.parm +setenv PATTERN $DD/patterns.cart +#----------------------------------------------------------------------------- + +$UNRES_BIN $* + diff --git a/source/ga/input-templates/galera/unresga.inp b/source/ga/input-templates/galera/unresga.inp new file mode 100644 index 0000000..7d4dd80 --- /dev/null +++ b/source/ga/input-templates/galera/unresga.inp @@ -0,0 +1,7 @@ +pdb=1LE1.pdb +alg=csa +generations=1 +cicutoff=5.0 +population=4 +whamtemplate=1LE1_wham.tpl +mremdtemplate=1LE1_mremd.tpl diff --git a/source/ga/input-templates/galera/wham.csh b/source/ga/input-templates/galera/wham.csh new file mode 100755 index 0000000..6047264 --- /dev/null +++ b/source/ga/input-templates/galera/wham.csh @@ -0,0 +1,67 @@ +#!/bin/csh -f +#set echo +# Script to run the program zscorezi_MPI on linux with MPICH (parallel version). +# +echo "This job is running on host `hostname` " + +set DD = /users/kdm/lightnir/PARAM +set BIN = /users/kdm/adaml/UNRES/bin + +set POT = GB +setenv POT GB + +setenv SCRATCHDIR /tmp/`whoami` + +# +# Przygotowanie i wyczyszczenie poletka +# +if ( ! -d $SCRATCHDIR ) then + mkdir $SCRATCHDIR +endif +rm -f $SCRATCHDIR/* + +setenv PREFIX 1LE1_wham + +# +# Is the specified potential in the list of valid force fields? +# +if (($POT != "LJ") && ($POT != "LJK") && ($POT != "BP") && ($POT != "GB") \ +&& ($POT != "GBV") ) then + echo "Unknown potential type $POT" + exit(1) +endif + +# 5/17/97 parameter file assignment was changed from link to SETENV statements +# +setenv BONDPAR $DD/bond_AM1.parm +setenv THETPAR $DD/theta_abinitio.parm +setenv ROTPAR $DD/rotamers_AM1_aura.10022007.parm +setenv TORPAR $DD/torsion_631Gdp.parm +setenv TORDPAR $DD/torsion_double_631Gdp.parm +setenv ELEPAR $DD/electr_631Gdp.parm +setenv SIDEPAR $DD/scinter_${POT}.parm +setenv FOURIER $DD/fourier_opt.parm.1igd_hc_iter3_3 +setenv SCPPAR $DD/scp.parm +setenv SCCORPAR $DD/rotcorr_AM1.parm +setenv PATTERN $DD/patterns.cart +# Define contact function for classification +setenv CONTFUNC GB +if (${CONTFUNC} == "GB") then + setenv SIDEP ${DD}/contact.3.parm +else if (${CONTFUNC} == "SCDIST") then + setenv SIDEP ${DD}/cend.3.45.parm +else if (${CONTFUNC} == "CEN") then + setenv SIDEP ${DD}/cen.parm +else if (${CONTFUNC} == "ODC") then + setenv SIDEP ${DD}/odc.parm +else if (${CONTFUNC} != "SIG") then + echo "Unknown sidechain contact function ${CONTFUNC}" + exit +endif + +# Set parallel environment, depending on job type (interactive or batch). + +set DEBUG = 0 + +limit coredumpsize 0 +$BIN/wham_multparm-hamrep-sep $* diff --git a/source/ga/input-templates/galera/zscore.tpl b/source/ga/input-templates/galera/zscore.tpl new file mode 100644 index 0000000..851dc82 --- /dev/null +++ b/source/ga/input-templates/galera/zscore.tpl @@ -0,0 +1,82 @@ +iseed=3269 n_ene=19 nparmset={POPSIZE} out_newe +mask_sc=0 mask_scp=1 mask_elec=1 mask_ang=1 mask_scloc=1 mask_tor=1 & +mask_tord=1 mask_corrh=1 mask_corr5=0 mask_corr6=0 mask_el_loc=1 & +mask_turn3=1 mask_turn4=1 mask_turn6=0 mask_vdwpp=1 mask_sccor=1 +wlow_sc=0.8 wlow_scp=0.0 wlow_elec=0.00 wlow_ang=0.00 wlow_scloc=0.00 & +wlow_tor=0.0 wlow_tord=0.0 wlow_corrh=0.00 wlow_corr5=0.00 wlow_corr6=0.00 & +wlow_sccor=0.0 & +wlow_el_loc=0.00 wlow_turn3=0.00 wlow_turn4=0.00 wlow_turn6=0.00 wlow_vdwpp=0.0 +wup_sc=1.2 wup_scp=5.0 wup_elec=5.0 wup_ang=5.00 wup_scloc=5.0 & +wup_tor=5.0 wup_tord=5.0 wup_corrh=5.0 wup_corr5=5.0 wup_corr6=5.0 & +wup_el_loc=5.0 wup_turn3=5.0 wup_turn4=5.0 wup_turn6=5.0 wup_vdwpp=5.0 & +wup_sccor=0.0 +mode=3 maxmin=10 maxfun=2000 opt_mode=0 tolf=1.0E-4 rtolf=1.0E-4 out_minim & +print_ini print_fin print_stat optimize_other read_stat=4 minimizer=sumsl & +rescale_mode=2 +mod_side +end +mod_fourier +end +mod_elec +end +mod_scp +end +{WEIGHTS} +nprot=1 +{PREFIX01} +rmscut=2.0 rmscut_gap=2.0 rkt=0.01 0.01 dkt=0.01 enecut=10000 enecut_min=10000 & +enecut_max=20000 nbatch=1 nclass=2 nlevel=1 +id=coil nelem=1 mask=*.0.* +id=native nelem=1 mask=*.1.* +ngap_read=1 nT=13 beta=270 270 280 280 290 290 300 300 310 310 320 320 330 330 & +340 340 345 345 350 350 360 360 370 370 380 380 & +hefac=10000 htfac=10000 helow=0 htlow=0 +nlev1=1 nlev2=1 level1=native level2=coil +enegap=-2.0 -0.6 ewall=0.01 !270 +enegap=-2.0 -0.6 ewall=0.01 !280 +enegap=-2.0 -0.6 ewall=0.01 !290 +enegap=-2.0 -0.6 ewall=0.01 !300 +enegap=-2.0 -0.6 ewall=0.01 !310 +enegap=-2.0 -0.6 ewall=0.01 !320 +enegap=-2.0 -0.6 ewall=0.01 !330 +enegap=-2.0 -0.6 ewall=0.01 !340 +enegap=-0.5 0.5 ewall=0.01 !345 +enegap=0.5 5.0 ewall=0.01 !350 +enegap=0.5 5.0 ewall=0.01 !360 +enegap=0.5 5.0 ewall=0.01 !370 +enegap=0.5 5.0 ewall=0.01 !380 +entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !270 +entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !280 +entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !290 +entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !300 +entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !310 +entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !320 +entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !330 +entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !340 +entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !345 +entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !350 +entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !360 +entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !370 +entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !380 +./{PARAM01} +nres=14 one_letter +XSWTWENGKWTWKX + 0 +PDBREF CAONLY SPLIT_BET=0 print_class nfrag=1 +CUTOFF_UP=6.0 CUTOFF_LOW=6.0 RMSUP_LIM=6.0 RMSUPUP_LIM=6.0 NFRAG=1 & +FRAC_SEC=0.3 +npiece=1 n_shift1=3 n_shift2=3 rms=1 qcut=0.40 qwol=1 local=0 angcut=60.0 & +elcont=0 sccont=0 +ifrag1=2 ifrag2=13 +./{PREFIX01}.pdb +read_weights=1 +batch=1 class=all & +qlow=0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.60 0.70 0.70 0.70 & + qup=0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.90 0.90 0.90 0.90 0.90 & +wq=1.0d10 1.0d10 1.0d10 1.0d10 1.0d10 1.0d10 1.0d10 1.0d10 1.0d10 1.0d10 & +1.0d10 1.0d10 1.0d10 +end +nthehel=25 ngahel=40 the0hel=70 dthehel=2 ga0hel=-100 & +nrbet=15 r0bet=3.0 nthebet=50 the0bet=60 dthebet=2 phialpha=60.0 delr=15.0 & +delb=4.0 PHIALPHA_RIGHT=47.0 PHIALPHA_LEFT=44.0 +NGRIDT=400 T0=200 DELTAT=1 diff --git a/source/ga/input-templates/matrix/1LE1_mremd.tpl b/source/ga/input-templates/matrix/1LE1_mremd.tpl new file mode 100644 index 0000000..b36236a --- /dev/null +++ b/source/ga/input-templates/matrix/1LE1_mremd.tpl @@ -0,0 +1,14 @@ +1LE1 random parameters #1 +SEED=-6086648 RE pdbref refstr ONE_LETTER rescale_mode=2 out1file extconf +nstep=2000000 ntwe=10000 ntwx=10000 lang=0 tbf t_bath=300 tau_bath=1.0 & +dt=0.10 reset_moment=1000 reset_vel=10000 damax=4.0 +nrep=16 nstex=10000 tlist mlist traj1file rest1file sync nsyn=10000 tonly & +hremd={POPSIZE} + 250 260 270 280 290 300 310 320 330 340 350 360 370 380 390 400 + 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 +{WEIGHTS} +{PREFIX}.pdb +14 +XSWTWENGKWTWKX +0 +0 diff --git a/source/ga/input-templates/matrix/1LE1_wham.tpl b/source/ga/input-templates/matrix/1LE1_wham.tpl new file mode 100644 index 0000000..f68f1e3 --- /dev/null +++ b/source/ga/input-templates/matrix/1LE1_wham.tpl @@ -0,0 +1,46 @@ +SEED=-3059743 n_ene=19 isampl=1 nq=1 classify pdbref einicheck=1 & +rescale=2 ensembles=0 nslice=1 HAMIL_REP oneletter cxfile separate_parset & +nparmset={POPSIZE} +nres=14 one_letter +XSWTWENGKWTWKX +0 +{WEIGHTS} +NT=16 replica +NR=1 TEMP= 250.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 260.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 270.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 280.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 290.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 300.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 310.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 320.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 330.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 340.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 350.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 360.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 370.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 380.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 390.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 400.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +nfile_cx=1 rec_start=101 rec_end=200 totraj=256 +./{PREFIX}_mremd_MD000 +CUTOFF_UP=8.0 CUTOFF_LOW=4.0 NLEVEL=-2 PDBREF & +SPLIT_BET=1 NC_FRAC_HEL=0.7 NC_FRAC_BET=0.5 NC_FRAC_PAIR=0.5 NSHIFT_PAIR=3 & +CONT_PAIR=1 NC_FRAC_PAIR=0.5 RMS_PAIR=0 +./{PREFIX}.pdb diff --git a/source/ga/input-templates/matrix/opt.csh b/source/ga/input-templates/matrix/opt.csh new file mode 100755 index 0000000..f8f14b5 --- /dev/null +++ b/source/ga/input-templates/matrix/opt.csh @@ -0,0 +1,69 @@ +#!/bin/csh -f +# Script to run the program zscorezi_MPI on linux with MPICH (parallel version). +# + +echo "This job is running on host `hostname` " + +set DD = /users/adam/UNRES/PARAM +set BIN = /users/adam/ZSCOREZ/bin + +set POT = GB +setenv POT GB + +setenv PREFIX zscore +setenv SCRATCHDIR /tmp/`whoami` + +if ( ! -d $SCRATCHDIR ) then + mkdir $SCRATCHDIR +endif + +#hostname +#ls -l /tmp + +# +# Is the specified potential in the list of valid force fields? +# +if (($POT != "LJ") && ($POT != "LJK") && ($POT != "BP") && ($POT != "GB") \ +&& ($POT != "GBV") ) then + echo "Unknown potential type $POT" + exit(1) +endif + +# 5/17/97 parameter file assignment was changed from link to SETENV statements +# +setenv BONDPAR $DD/bond_AM1.parm +setenv THETPAR $DD/theta_abinitio.parm +setenv ROTPAR $DD/rotamers_AM1_aura.10022007.parm +#setenv BONDPAR $DD/bond.parm +#setenv THETPAR $DD/thetaml.5parm +#setenv ROTPAR $DD/scgauss.parm +setenv TORPAR $DD/torsion_631Gdp.parm +setenv TORDPAR $DD/torsion_double_631Gdp.parm +setenv ELEPAR $DD/electr_631Gdp.parm +setenv SIDEPAR $DD/scinter_${POT}.parm +setenv FOURIER $DD/fourier_opt.parm.1igd_hc_iter3_3 +setenv SCPPAR $DD/scp.parm +setenv SCCORPAR $DD/rotcorr_AM1.parm + +# Set parallel environment, depending on job type (interactive or batch). + +set DEBUG = 0 + +# Choose the sidechain contact function + +setenv CONTFUNC GB +if (${CONTFUNC} == "GB") then + setenv SIDEP ${DD}/contact.3.parm +else if (${CONTFUNC} == "SCDIST") then + setenv SIDEP ${DD}/cend.3.45.parm +else if (${CONTFUNC} == "CEN") then + setenv SIDEP ${DD}/cen.parm +else if (${CONTFUNC} == "ODC") then + setenv SIDEP ${DD}/odc.parm +else if (${CONTFUNC} != "SIG") then + echo "Unknown sidechain contact function ${CONTFUNC}" + exit +endif + +limit coredumpsize 0 +$BIN/zscorezMD_sccor-T-OPTERON-clust-sign-split $* diff --git a/source/ga/input-templates/matrix/start_all.pbs b/source/ga/input-templates/matrix/start_all.pbs new file mode 100755 index 0000000..83d4130 --- /dev/null +++ b/source/ga/input-templates/matrix/start_all.pbs @@ -0,0 +1,25 @@ +#PBS -N single-test +#PBS -q dque +#PBS -l nodes=32:ppn=8 +#PBS -l walltime=1:00:00 + +set NPROCS=`cat $PBS_NODEFILE | wc -l` + +cd $PBS_O_WORKDIR + +./unresga + +cat $PBS_NODEFILE|uniq > nody + +time /users/software/mpich_ssh/bin/mpirun -machinefile $PBS_NODEFILE -np $NPROCS -p4wd $PBS_O_WORKDIR $PBS_O_WORKDIR/unres.csh + +time /users/software/mpich_ssh/bin/mpirun -machinefile $PBS_NODEFILE -np 16 -p4wd $PBS_O_WORKDIR $PBS_O_WORKDIR/wham.csh + +time /users/software/mpich_ssh/bin/mpirun -machinefile $PBS_NODEFILE -np 16 ./opt.csh + +set DATA=`date +%Y-%m-%d-%H%M%S` +mkdir ceiksy-$DATA +mv *.cx ceiksy-$DATA + +#mail -s "Scheraga - wyniki dla single-test sa dostepne" lightnir@gmail.com + diff --git a/source/ga/input-templates/matrix/unres.csh b/source/ga/input-templates/matrix/unres.csh new file mode 100755 index 0000000..5d5fc95 --- /dev/null +++ b/source/ga/input-templates/matrix/unres.csh @@ -0,0 +1,26 @@ +#!/bin/csh -f + +set DD = /users/czarek/UNRES/PARAM +#----------------------------------------------------------------------------- +setenv FGPROCS 0 +setenv POT GB +setenv PREFIX 1LE1_mremd +setenv OUT1FILE Y +#----------------------------------------------------------------------------- +setenv UNRES_BIN /users/czarek/UNRES/NEW/bin/unres_Tc_procor_new_em64_nh_hremd.exe +#----------------------------------------------------------------------------- +setenv BONDPAR $DD/bond_AM1.parm +setenv THETPAR $DD/theta_abinitio.parm +setenv ROTPAR $DD/rotamers_AM1_aura.10022007.parm +setenv TORPAR $DD/torsion_631Gdp.parm +setenv TORDPAR $DD/torsion_double_631Gdp.parm +setenv ELEPAR $DD/electr_631Gdp.parm +setenv SIDEPAR $DD/scinter_${POT}.parm +setenv FOURIER $DD/fourier_opt.parm.1igd_hc_iter3_3 +setenv SCPPAR $DD/scp.parm +setenv SCCORPAR $DD/rotcorr_AM1.parm +setenv PATTERN $DD/patterns.cart +#----------------------------------------------------------------------------- + +$UNRES_BIN $* + diff --git a/source/ga/input-templates/matrix/unresga.inp b/source/ga/input-templates/matrix/unresga.inp new file mode 100644 index 0000000..a4e74ce --- /dev/null +++ b/source/ga/input-templates/matrix/unresga.inp @@ -0,0 +1,7 @@ +pdb=1LE1.pdb +alg=csa +generations=5 +cicutoff=0.01 +population=8 +whamtemplate=1LE1_wham.tpl +mremdtemplate=1LE1_mremd.tpl diff --git a/source/ga/input-templates/matrix/wham.csh b/source/ga/input-templates/matrix/wham.csh new file mode 100755 index 0000000..e8fcddc --- /dev/null +++ b/source/ga/input-templates/matrix/wham.csh @@ -0,0 +1,66 @@ +#!/bin/csh -f +#set echo +# Script to run the program zscorezi_MPI on linux with MPICH (parallel version). +# +echo "This job is running on host `hostname` " + +set DD = /users/adam/UNRES/PARAM +set BIN = /users/adam/ZSCOREZ/bin + +set POT = GB +setenv POT GB +setenv SCRATCHDIR /tmp/`whoami` + +# +# Przygotowanie i wyczyszczenie poletka +# +if ( ! -d $SCRATCHDIR ) then + mkdir $SCRATCHDIR +endif +rm -f $SCRATCHDIR/* + +setenv PREFIX 1LE1_wham + +# +# Is the specified potential in the list of valid force fields? +# +if (($POT != "LJ") && ($POT != "LJK") && ($POT != "BP") && ($POT != "GB") \ +&& ($POT != "GBV") ) then + echo "Unknown potential type $POT" + exit(1) +endif + +# 5/17/97 parameter file assignment was changed from link to SETENV statements +# +setenv BONDPAR $DD/bond_AM1.parm +setenv THETPAR $DD/theta_abinitio.parm +setenv ROTPAR $DD/rotamers_AM1_aura.10022007.parm +setenv TORPAR $DD/torsion_631Gdp.parm +setenv TORDPAR $DD/torsion_double_631Gdp.parm +setenv ELEPAR $DD/electr_631Gdp.parm +setenv SIDEPAR $DD/scinter_${POT}.parm +setenv FOURIER $DD/fourier_opt.parm.1igd_hc_iter3_3 +setenv SCPPAR $DD/scp.parm +setenv SCCORPAR $DD/rotcorr_AM1.parm +setenv PATTERN $DD/patterns.cart +# Define contact function for classification +setenv CONTFUNC GB +if (${CONTFUNC} == "GB") then + setenv SIDEP ${DD}/contact.3.parm +else if (${CONTFUNC} == "SCDIST") then + setenv SIDEP ${DD}/cend.3.45.parm +else if (${CONTFUNC} == "CEN") then + setenv SIDEP ${DD}/cen.parm +else if (${CONTFUNC} == "ODC") then + setenv SIDEP ${DD}/odc.parm +else if (${CONTFUNC} != "SIG") then + echo "Unknown sidechain contact function ${CONTFUNC}" + exit +endif + +# Set parallel environment, depending on job type (interactive or batch). + +set DEBUG = 0 + +limit coredumpsize 0 +$BIN/wham_multparm-hamrep-sep $* diff --git a/source/ga/input-templates/matrix/zscore.tpl b/source/ga/input-templates/matrix/zscore.tpl new file mode 100644 index 0000000..851dc82 --- /dev/null +++ b/source/ga/input-templates/matrix/zscore.tpl @@ -0,0 +1,82 @@ +iseed=3269 n_ene=19 nparmset={POPSIZE} out_newe +mask_sc=0 mask_scp=1 mask_elec=1 mask_ang=1 mask_scloc=1 mask_tor=1 & +mask_tord=1 mask_corrh=1 mask_corr5=0 mask_corr6=0 mask_el_loc=1 & +mask_turn3=1 mask_turn4=1 mask_turn6=0 mask_vdwpp=1 mask_sccor=1 +wlow_sc=0.8 wlow_scp=0.0 wlow_elec=0.00 wlow_ang=0.00 wlow_scloc=0.00 & +wlow_tor=0.0 wlow_tord=0.0 wlow_corrh=0.00 wlow_corr5=0.00 wlow_corr6=0.00 & +wlow_sccor=0.0 & +wlow_el_loc=0.00 wlow_turn3=0.00 wlow_turn4=0.00 wlow_turn6=0.00 wlow_vdwpp=0.0 +wup_sc=1.2 wup_scp=5.0 wup_elec=5.0 wup_ang=5.00 wup_scloc=5.0 & +wup_tor=5.0 wup_tord=5.0 wup_corrh=5.0 wup_corr5=5.0 wup_corr6=5.0 & +wup_el_loc=5.0 wup_turn3=5.0 wup_turn4=5.0 wup_turn6=5.0 wup_vdwpp=5.0 & +wup_sccor=0.0 +mode=3 maxmin=10 maxfun=2000 opt_mode=0 tolf=1.0E-4 rtolf=1.0E-4 out_minim & +print_ini print_fin print_stat optimize_other read_stat=4 minimizer=sumsl & +rescale_mode=2 +mod_side +end +mod_fourier +end +mod_elec +end +mod_scp +end +{WEIGHTS} +nprot=1 +{PREFIX01} +rmscut=2.0 rmscut_gap=2.0 rkt=0.01 0.01 dkt=0.01 enecut=10000 enecut_min=10000 & +enecut_max=20000 nbatch=1 nclass=2 nlevel=1 +id=coil nelem=1 mask=*.0.* +id=native nelem=1 mask=*.1.* +ngap_read=1 nT=13 beta=270 270 280 280 290 290 300 300 310 310 320 320 330 330 & +340 340 345 345 350 350 360 360 370 370 380 380 & +hefac=10000 htfac=10000 helow=0 htlow=0 +nlev1=1 nlev2=1 level1=native level2=coil +enegap=-2.0 -0.6 ewall=0.01 !270 +enegap=-2.0 -0.6 ewall=0.01 !280 +enegap=-2.0 -0.6 ewall=0.01 !290 +enegap=-2.0 -0.6 ewall=0.01 !300 +enegap=-2.0 -0.6 ewall=0.01 !310 +enegap=-2.0 -0.6 ewall=0.01 !320 +enegap=-2.0 -0.6 ewall=0.01 !330 +enegap=-2.0 -0.6 ewall=0.01 !340 +enegap=-0.5 0.5 ewall=0.01 !345 +enegap=0.5 5.0 ewall=0.01 !350 +enegap=0.5 5.0 ewall=0.01 !360 +enegap=0.5 5.0 ewall=0.01 !370 +enegap=0.5 5.0 ewall=0.01 !380 +entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !270 +entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !280 +entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !290 +entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !300 +entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !310 +entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !320 +entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !330 +entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !340 +entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !345 +entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !350 +entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !360 +entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !370 +entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !380 +./{PARAM01} +nres=14 one_letter +XSWTWENGKWTWKX + 0 +PDBREF CAONLY SPLIT_BET=0 print_class nfrag=1 +CUTOFF_UP=6.0 CUTOFF_LOW=6.0 RMSUP_LIM=6.0 RMSUPUP_LIM=6.0 NFRAG=1 & +FRAC_SEC=0.3 +npiece=1 n_shift1=3 n_shift2=3 rms=1 qcut=0.40 qwol=1 local=0 angcut=60.0 & +elcont=0 sccont=0 +ifrag1=2 ifrag2=13 +./{PREFIX01}.pdb +read_weights=1 +batch=1 class=all & +qlow=0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.60 0.70 0.70 0.70 & + qup=0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.90 0.90 0.90 0.90 0.90 & +wq=1.0d10 1.0d10 1.0d10 1.0d10 1.0d10 1.0d10 1.0d10 1.0d10 1.0d10 1.0d10 & +1.0d10 1.0d10 1.0d10 +end +nthehel=25 ngahel=40 the0hel=70 dthehel=2 ga0hel=-100 & +nrbet=15 r0bet=3.0 nthebet=50 the0bet=60 dthebet=2 phialpha=60.0 delr=15.0 & +delb=4.0 PHIALPHA_RIGHT=47.0 PHIALPHA_LEFT=44.0 +NGRIDT=400 T0=200 DELTAT=1 diff --git a/source/ga/input-templates/piasek/1L2Y_mremd.tpl b/source/ga/input-templates/piasek/1L2Y_mremd.tpl new file mode 100644 index 0000000..6eec1c8 --- /dev/null +++ b/source/ga/input-templates/piasek/1L2Y_mremd.tpl @@ -0,0 +1,13 @@ +1LE1 random parameters #1 +SEED=-6086648 RE pdbref refstr ONE_LETTER rescale_mode=2 out1file extconf +nstep=5000000 ntwe=10000 ntwx=10000 lang=0 tbf t_bath=300 tau_bath=1.0 & +dt=0.10 reset_moment=1000 reset_vel=10000 damax=4.0 +nrep=20 nstex=10000 tlist mlist traj1file rest1file sync nsyn=10000 hremd={POPSIZE} tonly + 250 260 270 280 290 300 310 320 330 340 350 360 370 380 390 400 420 440 460 500 + 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 +{WEIGHTS} +{PREFIX}.pdb +14 +XSWTWENGKWTWKX +0 +0 diff --git a/source/ga/input-templates/piasek/1L2Y_wham.tpl b/source/ga/input-templates/piasek/1L2Y_wham.tpl new file mode 100644 index 0000000..9ccdb3e --- /dev/null +++ b/source/ga/input-templates/piasek/1L2Y_wham.tpl @@ -0,0 +1,53 @@ +SEED=-3059743 n_ene=19 isampl=1 nparmset=1 nq=1 classify pdbref einicheck=1 & +rescale=2 ensembles=1 cxfile nslice=5 +nres=14 one_letter +XSWTWENGKWTWKX +0 +{WEIGHTS} +NT=20 replica umbrella +NR=1 TEMP= 250.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 260.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 270.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 280.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 290.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 300.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 310.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 320.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 330.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 340.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 350.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 360.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 370.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 380.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 390.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 400.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 420.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 440.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 460.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 500.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +nfile_cx=1 rec_start=1 rec_end=500 totraj=20 +../{PREFIX}_MD000 +CUTOFF_UP=8.0 CUTOFF_LOW=4.0 NLEVEL=-2 PDBREF & +SPLIT_BET=1 NC_FRAC_HEL=0.7 NC_FRAC_BET=0.5 NC_FRAC_PAIR=0.5 NSHIFT_PAIR=3 & +CONT_PAIR=1 NC_FRAC_PAIR=0.5 RMS_PAIR=0 +../{PREFIX}.pdb diff --git a/source/ga/input-templates/piasek/1LE1_mremd.tpl b/source/ga/input-templates/piasek/1LE1_mremd.tpl new file mode 100644 index 0000000..6eec1c8 --- /dev/null +++ b/source/ga/input-templates/piasek/1LE1_mremd.tpl @@ -0,0 +1,13 @@ +1LE1 random parameters #1 +SEED=-6086648 RE pdbref refstr ONE_LETTER rescale_mode=2 out1file extconf +nstep=5000000 ntwe=10000 ntwx=10000 lang=0 tbf t_bath=300 tau_bath=1.0 & +dt=0.10 reset_moment=1000 reset_vel=10000 damax=4.0 +nrep=20 nstex=10000 tlist mlist traj1file rest1file sync nsyn=10000 hremd={POPSIZE} tonly + 250 260 270 280 290 300 310 320 330 340 350 360 370 380 390 400 420 440 460 500 + 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 +{WEIGHTS} +{PREFIX}.pdb +14 +XSWTWENGKWTWKX +0 +0 diff --git a/source/ga/input-templates/piasek/1LE1_wham.tpl b/source/ga/input-templates/piasek/1LE1_wham.tpl new file mode 100644 index 0000000..9ccdb3e --- /dev/null +++ b/source/ga/input-templates/piasek/1LE1_wham.tpl @@ -0,0 +1,53 @@ +SEED=-3059743 n_ene=19 isampl=1 nparmset=1 nq=1 classify pdbref einicheck=1 & +rescale=2 ensembles=1 cxfile nslice=5 +nres=14 one_letter +XSWTWENGKWTWKX +0 +{WEIGHTS} +NT=20 replica umbrella +NR=1 TEMP= 250.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 260.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 270.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 280.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 290.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 300.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 310.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 320.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 330.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 340.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 350.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 360.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 370.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 380.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 390.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 400.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 420.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 440.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 460.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +NR=1 TEMP= 500.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 +KH= 0.00 Q0=0.00000 +nfile_cx=1 rec_start=1 rec_end=500 totraj=20 +../{PREFIX}_MD000 +CUTOFF_UP=8.0 CUTOFF_LOW=4.0 NLEVEL=-2 PDBREF & +SPLIT_BET=1 NC_FRAC_HEL=0.7 NC_FRAC_BET=0.5 NC_FRAC_PAIR=0.5 NSHIFT_PAIR=3 & +CONT_PAIR=1 NC_FRAC_PAIR=0.5 RMS_PAIR=0 +../{PREFIX}.pdb diff --git a/source/ga/input-templates/piasek/startmremd.mat b/source/ga/input-templates/piasek/startmremd.mat new file mode 100755 index 0000000..e732ddc --- /dev/null +++ b/source/ga/input-templates/piasek/startmremd.mat @@ -0,0 +1,11 @@ +#PBS -N {JOBNAME} +#PBS -q special +#PBS -l nodes=5:quad:core2:ppn=4 + +set NPROCS=`cat $PBS_NODEFILE | wc -l` + +echo $NPROCS processors used + +time mpirun -machinefile $PBS_NODEFILE -np $NPROCS -nolocal -p4wd $PBS_O_WORKDIR \ +$PBS_O_WORKDIR/unres.csh + diff --git a/source/ga/input-templates/piasek/startwham.mat b/source/ga/input-templates/piasek/startwham.mat new file mode 100755 index 0000000..425960c --- /dev/null +++ b/source/ga/input-templates/piasek/startwham.mat @@ -0,0 +1,10 @@ +#PBS -N {JOBNAME} +#PBS -q special +#PBS -l nodes=1:core2:ppn=4 + +set NPROCS=`cat $PBS_NODEFILE | wc -l` + +echo $NPROCS processors used + +time mpirun -machinefile $PBS_NODEFILE -np 1 -p4wd $PBS_O_WORKDIR \ +$PBS_O_WORKDIR/wham.csh diff --git a/source/ga/input-templates/piasek/unresga.inp b/source/ga/input-templates/piasek/unresga.inp new file mode 100644 index 0000000..65329f6 --- /dev/null +++ b/source/ga/input-templates/piasek/unresga.inp @@ -0,0 +1,8 @@ +pdb=1LE1.pdb 1L2Y.pdb +alg=csa +generations=50 +cicutoff=5.0 +population=4 +whamtemplate=1LE1_wham.tpl 1L2Y_wham.tpl +mremdtemplate=1LE1_mremd.tpl 1L2Y_mremd.tpl +scripts=startwham.mat startmremd.mat diff --git a/source/ga/input-templates/piasek/zscore.tpl b/source/ga/input-templates/piasek/zscore.tpl new file mode 100644 index 0000000..a424f8a --- /dev/null +++ b/source/ga/input-templates/piasek/zscore.tpl @@ -0,0 +1,135 @@ +iseed=3269 n_ene=19 nparmset={POPSIZE} out_newe +mask_sc=0 mask_scp=1 mask_elec=1 mask_ang=1 mask_scloc=1 mask_tor=1 & +mask_tord=1 mask_corrh=1 mask_corr5=0 mask_corr6=0 mask_el_loc=1 & +mask_turn3=1 mask_turn4=1 mask_turn6=0 mask_vdwpp=1 mask_sccor=1 +wlow_sc=0.8 wlow_scp=0.0 wlow_elec=0.00 wlow_ang=0.00 wlow_scloc=0.00 & +wlow_tor=0.0 wlow_tord=0.0 wlow_corrh=0.00 wlow_corr5=0.00 wlow_corr6=0.00 & +wlow_sccor=0.0 & +wlow_el_loc=0.00 wlow_turn3=0.00 wlow_turn4=0.00 wlow_turn6=0.00 wlow_vdwpp=0.0 +wup_sc=1.2 wup_scp=5.0 wup_elec=5.0 wup_ang=5.00 wup_scloc=5.0 & +wup_tor=5.0 wup_tord=5.0 wup_corrh=5.0 wup_corr5=5.0 wup_corr6=5.0 & +wup_el_loc=5.0 wup_turn3=5.0 wup_turn4=5.0 wup_turn6=5.0 wup_vdwpp=5.0 & +wup_sccor=0.0 +mode=3 maxfun=2000 opt_mode=0 tolf=1.0E-4 rtolf=1.0E-4 out_minim & +print_ini print_fin print_stat optimize_other read_stat=4 minimizer=sumsl & +rescale_mode=2 maxmin={MAXMIN} +mod_side +end +mod_fourier +end +mod_elec +end +mod_scp +end +{WEIGHTS} +nprot=2 +{PREFIX01} +rmscut=2.0 rmscut_gap=2.0 rkt=0.01 0.01 dkt=0.01 enecut=10000 enecut_min=10000 & +enecut_max=20000 nbatch=1 nclass=2 nlevel=1 +id=coil nelem=1 mask=*.0.* +id=native nelem=1 mask=*.1.* +ngap_read=1 nT=13 beta=270 270 280 280 290 290 300 300 310 310 320 320 330 330 & +340 340 345 345 350 350 360 360 370 370 380 380 & +hefac=10000 htfac=10000 helow=0 htlow=0 +nlev1=1 nlev2=1 level1=native level2=coil +enegap=-2.0 -0.6 ewall=0.01 !270 +enegap=-2.0 -0.6 ewall=0.01 !280 +enegap=-2.0 -0.6 ewall=0.01 !290 +enegap=-2.0 -0.6 ewall=0.01 !300 +enegap=-2.0 -0.6 ewall=0.01 !310 +enegap=-2.0 -0.6 ewall=0.01 !320 +enegap=-2.0 -0.6 ewall=0.01 !330 +enegap=-2.0 -0.6 ewall=0.01 !340 +enegap=-0.5 0.5 ewall=0.01 !345 +enegap=0.5 5.0 ewall=0.01 !350 +enegap=0.5 5.0 ewall=0.01 !360 +enegap=0.5 5.0 ewall=0.01 !370 +enegap=0.5 5.0 ewall=0.01 !380 +entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !270 +entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !280 +entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !290 +entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !300 +entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !310 +entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !320 +entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !330 +entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !340 +entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !345 +entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !350 +entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !360 +entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !370 +entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !380 +{PARAM01} +nres=14 one_letter +XSWTWENGKWTWKX + 0 +PDBREF CAONLY SPLIT_BET=0 print_class nfrag=1 +CUTOFF_UP=6.0 CUTOFF_LOW=6.0 RMSUP_LIM=6.0 RMSUPUP_LIM=6.0 NFRAG=1 & +FRAC_SEC=0.3 +npiece=1 n_shift1=3 n_shift2=3 rms=1 qcut=0.45 qwol=1 local=0 angcut=60.0 & +elcont=0 sccont=0 +ifrag1=2 ifrag2=13 +./{PREFIX01}.pdb +read_weights=1 +batch=1 class=all & +qlow=0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.60 0.70 0.70 0.70 & + qup=0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.90 0.90 0.90 0.90 0.90 & +wq=1.0d10 1.0d10 1.0d10 1.0d10 1.0d10 1.0d10 1.0d10 1.0d10 1.0d10 1.0d10 & +1.0d10 1.0d10 1.0d10 +end +{PREFIX02} +rmscut=2.0 rmscut_gap=2.0 rkt=0.01 0.01 dkt=0.01 enecut=10000 enecut_min=10000 & +enecut_max=20000 nbatch=1 nclass=2 nlevel=1 +id=coil nelem=1 mask=*.0.* +id=native nelem=1 mask=*.1.* +ngap_read=1 nT=13 beta=270 270 280 280 290 290 300 300 310 310 320 320 330 330 & +340 340 345 345 350 350 360 360 370 370 380 380 & +hefac=10000 htfac=10000 helow=0 htlow=0 +nlev1=1 nlev2=1 level1=native level2=coil +enegap=-2.0 -0.6 ewall=0.01 !270 +enegap=-2.0 -0.6 ewall=0.01 !280 +enegap=-2.0 -0.6 ewall=0.01 !290 +enegap=-2.0 -0.6 ewall=0.01 !300 +enegap=-2.0 -0.6 ewall=0.01 !310 +enegap=-2.0 -0.6 ewall=0.01 !320 +enegap=-2.0 -0.6 ewall=0.01 !330 +enegap=-2.0 -0.6 ewall=0.01 !340 +enegap=-0.5 0.5 ewall=0.01 !345 +enegap=0.5 5.0 ewall=0.01 !350 +enegap=0.5 5.0 ewall=0.01 !360 +enegap=0.5 5.0 ewall=0.01 !370 +enegap=0.5 5.0 ewall=0.01 !380 +entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !270 +entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !280 +entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !290 +entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !300 +entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !310 +entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !320 +entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !330 +entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !340 +entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !345 +entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !350 +entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !360 +entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !370 +entshanwall=3.0e9 1.0e5 3.0e9 3.0e9 3.0e9 !380 +{PARAM02} +nres=14 one_letter +XSWTWENGKWTWKX + 0 +PDBREF CAONLY SPLIT_BET=0 print_class nfrag=1 +CUTOFF_UP=6.0 CUTOFF_LOW=6.0 RMSUP_LIM=6.0 RMSUPUP_LIM=6.0 NFRAG=1 & +FRAC_SEC=0.3 +npiece=1 n_shift1=3 n_shift2=3 rms=1 qcut=0.45 qwol=1 local=0 angcut=60.0 & +elcont=0 sccont=0 +ifrag1=2 ifrag2=13 +./{PREFIX02}.pdb +read_weights=1 +batch=1 class=all & +qlow=0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.60 0.70 0.70 0.70 & + qup=0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.90 0.90 0.90 0.90 0.90 & +wq=1.0d10 1.0d10 1.0d10 1.0d10 1.0d10 1.0d10 1.0d10 1.0d10 1.0d10 1.0d10 & +1.0d10 1.0d10 1.0d10 +end +nthehel=25 ngahel=40 the0hel=70 dthehel=2 ga0hel=-100 & +nrbet=15 r0bet=3.0 nthebet=50 the0bet=60 dthebet=2 phialpha=60.0 delr=15.0 & +delb=4.0 PHIALPHA_RIGHT=47.0 PHIALPHA_LEFT=44.0 +NGRIDT=400 T0=200 DELTAT=1 diff --git a/source/ga/io.inc b/source/ga/io.inc new file mode 100644 index 0000000..77604fa --- /dev/null +++ b/source/ga/io.inc @@ -0,0 +1,33 @@ +c -- I/O units + integer :: inp = 1 + integer :: ow = 3 + integer :: opopsum = 4 + integer :: pdb = 5 + integer :: olog = 6 + integer :: iwham = 7 + integer :: owham = 8 + integer :: imremd = 9 + integer :: omremd = 10 + integer :: izscore = 11 + integer :: ozscore = 12 + integer :: iscript = 13 + integer :: oscript = 14 + integer :: ostate = 15 + integer :: izsoptw = 16 ! zscore optimized weights files + integer :: izenergy = 17 + integer :: iobank = 18 + +c -- I/O filenames + character*20 :: owfn = "weights" + character*20 :: inpfn = "unresga.inp" ! Main input file + character*20 :: ologfn = "unresga.log" ! Log +c character*20 :: iwhamfn = "wham.tpl" ! wham input template file + character*20 :: owhamfn = "wham.inp" ! wham input file +c character*20 :: imremdfn = "mremd.tpl" ! mremd input template file + character*20 :: omremdfn = "mremd.inp" ! mremd input file + character*20 :: izscorefn = "zscore.tpl" ! zscore input template file + character*20 :: ozscorefn = "zscore.inp" ! zscore input file + character*20 :: opopsumfn = "population.summary" + character*20 :: ostatefn = "unresga.state" ! unresga state file + character*20 :: izenergyfn = "zscore.out_par" ! zscore generated output prefix + character*20 :: iobankfn = "unresga.bank" ! csa bank file diff --git a/source/ga/tester.sh b/source/ga/tester.sh new file mode 100755 index 0000000..8ac452f --- /dev/null +++ b/source/ga/tester.sh @@ -0,0 +1,14 @@ +#!/bin/bash + +if [ -d build ]; then + echo "Clearing build directory " + rm -rf build/* +fi +make +cd build +cp -r ~/poligon/zero/* ./ +./unresga + +echo "" + +cat unresga.bank -- 1.7.9.5