Raster3D_3.0-2/./0000775000471100047110000000000011522570711013322 5ustar merrittmerrittRaster3D_3.0-2/./Makefile0000644000471100047110000002403011504237067014763 0ustar merrittmerritt# # Makefile.incl is initially empty # It gets initialized by "Make OS" # default: all include Makefile.incl include VERSION LIBS = $(LIBDIRS) $(CLIBS) $(TLIBS) $(GDLIBS) $(SLIBS) DEFINES = $(GDEFS) $(IDEFS) $(TDEFS) $(GDDEFS) $(SDEFS) $(OSDEFS) FLAGS = $(INCDIRS) $(DEFINES) PROGS = avs2ps balls rastep render ribbon rings3d rods normal3d SCRIPTS = stereo3d worms clean: rm -f *.o $(PROGS) core *~ rm -f render_small render_small.f parse_small.f qinp_small.f parameters_small.incl rm -f lists.mod $(MAKE) -C examples clean distclean: clean rm -f Makefile.incl touch Makefile.incl if [ -e aix-patch ] ; then rm -f aix-patch; fi exit 0 help: @if test "$(OS)" ; \ then \ echo "Making Raster3D $(VERSION) for $(OS)" ; \ else \ echo "" ; \ echo "Please start by typing '"make OS"', where OS is one of" ; \ echo " linux linux-pgf77 linux-ifort dec osx-intel osx-fink sun sun-forte irix5 irix6 cygwin aix hpux" ; \ echo "If your OS is not shown but you have gfortran installed, try" ; \ echo " make linux" ; \ echo "" ; \ echo "If all goes well, you can now type 'make' to build the programs" ; \ echo "followed by 'make install' (probably as root) to install them" ;\ exit 1 ; \ fi # # OS-specific initializations # linux: @cp Makefile.template Makefile.incl @echo OS = linux >> Makefile.incl @echo CC = gcc >> Makefile.incl @echo CFLAGS = -g -Wall -Dgfortran >> Makefile.incl @echo FC = gfortran >> Makefile.incl @echo FFLAGS = -g -w -O3 -Wtabs -ffixed-line-length-132 >> Makefile.incl @echo RM = /bin/rm -f >> Makefile.incl @echo OSDEFS = -DLINUX -DNETWORKBYTEORDER >> Makefile.incl @echo include Makefile.package >> Makefile.incl @echo >> Makefile.incl @echo qinp.o: qinp.f >> Makefile.incl @echo " \$$(FC) -g -O0 -Wall -Wtabs -c -o qinp.o qinp.f" >> Makefile.incl @echo >> Makefile.incl linux-ifort: @cp Makefile.template Makefile.incl @echo OS = linux >> Makefile.incl @echo CC = gcc >> Makefile.incl @echo CFLAGS = -g -Wall >> Makefile.incl @echo FC = ifort >> Makefile.incl @echo FFLAGS = -g -w -O3 -132 -static-intel >> Makefile.incl @echo RM = /bin/rm -f >> Makefile.incl @echo OSDEFS = -DLINUX -DNETWORKBYTEORDER >> Makefile.incl @echo include Makefile.package >> Makefile.incl linux-pgf77: @cp Makefile.template Makefile.incl @echo OS = linux-pgf77 >> Makefile.incl @echo CC = gcc >> Makefile.incl @echo CFLAGS = -g -m486 -w >> Makefile.incl @echo FC = pgf77 >> Makefile.incl @echo FFLAGS = -O -Munroll >> Makefile.incl @echo RM = /bin/rm -f >> Makefile.incl @echo OSDEFS = -DLINUX -DNETWORKBYTEORDER >> Makefile.incl @echo include Makefile.package >> Makefile.incl osx-intel: @cp Makefile.template Makefile.incl @echo OS = osx >> Makefile.incl @echo CC = icc >> Makefile.incl @echo CFLAGS = -g -Wall >> Makefile.incl @echo FC = ifort >> Makefile.incl @echo FFLAGS = -g -w -O3 -Wtabs -132 >> Makefile.incl @echo RM = /bin/rm -f >> Makefile.incl @echo OSDEFS = -DOSX -DNETWORKBYTEORDER >> Makefile.incl @echo include Makefile.package >> Makefile.incl @echo >> Makefile.incl @echo qinp.o: qinp.f >> Makefile.incl @echo " \$$(FC) -g -O0 -w -Wtabs -132 -c -o qinp.o qinp.f" >> Makefile.incl @echo >> Makefile.incl osx-fink: @cp Makefile.template Makefile.incl @echo .NOTPARALLEL: >> Makefile.incl @echo >> Makefile.incl @echo OS = osx >> Makefile.incl @echo CC = /sw/bin/gcc-4 >> Makefile.incl @echo INCDIRS = -I/sw/include >> Makefile.incl @echo LIBDIRS = -L/sw/lib >> Makefile.incl @echo CFLAGS = -g -Wall -Dgfortran >> Makefile.incl @echo FC = /sw/bin/gfortran >> Makefile.incl @echo FFLAGS = -g -w -O3 -Wtabs -ffixed-line-length-132 >> Makefile.incl @echo RM = /bin/rm -f >> Makefile.incl @echo OSDEFS = -DOSX -DNETWORKBYTEORDER >> Makefile.incl @echo include Makefile.package >> Makefile.incl @echo >> Makefile.incl @echo qinp.o: qinp.f >> Makefile.incl @echo " \$$(FC) -g -O0 -Wall -Wtabs -c -o qinp.o qinp.f" >> Makefile.incl @echo >> Makefile.incl irix5: @cp Makefile.template Makefile.incl @echo OS=irix5 >> Makefile.incl @echo SHELL=/bin/sh >> Makefile.incl @echo CC = cc >> Makefile.incl @echo CFLAGS = -g -w >> Makefile.incl @echo FC = f77 >> Makefile.incl @echo FFLAGS = -O -Olimit 4500 >> Makefile.incl @echo RM = /bin/rm -f >> Makefile.incl irix6: @cp Makefile.template Makefile.incl @echo OS=irix6 >> Makefile.incl @echo SHELL=/bin/sh >> Makefile.incl @echo CC = cc -n32 >> Makefile.incl @echo CFLAGS = -g -w >> Makefile.incl @echo FC = f77 >> Makefile.incl @echo FFLAGS = -O -n32 -OPT:Olimit=4500 >> Makefile.incl @echo LDFLAGS = -L/usr/lib32 >> Makefile.incl @echo RM = /bin/rm -f >> Makefile.incl dec: @cp Makefile.template Makefile.incl @echo OS=dec >> Makefile.incl @echo CC = cc >> Makefile.incl @echo CFLAGS = -O -w >> Makefile.incl @echo FC = f77 >> Makefile.incl @echo FFLAGS = -O -static -fast -r8 >> Makefile.incl @echo RM = /bin/rm -f >> Makefile.incl @echo OSDEFS = -DNETWORKBYTEORDER >> Makefile.incl @echo include Makefile.package >> Makefile.incl aix: aix-patch @cp Makefile.template Makefile.incl @echo OS=aix >> Makefile.incl @echo CC = cc >> Makefile.incl @echo CFLAGS = -g >> Makefile.incl @echo FC = xlf -qqcount -w >> Makefile.incl @echo FFLAGS = -O -qtkq_size=2000 -qintlog -qsave >> Makefile.incl @echo LDFLAGS = -lz -bloadmap:loadmap.lis >> Makefile.incl @echo RM = /bin/rm -f >> Makefile.incl @echo OSDEFS = -Dlocal_=local -Dungz_=ungz >> Makefile.incl aix-patch: patch render.f < render_patch.aix mv render.f.orig render.f.bak @touch aix-patch sun: @cp Makefile.template Makefile.incl @echo OS = sun >> Makefile.incl @echo CC = gcc >> Makefile.incl @echo CFLAGS = -O >> Makefile.incl @echo FC = g77 >> Makefile.incl @echo FFLAGS = -O >> Makefile.incl @echo RM = /bin/rm -f >> Makefile.incl @echo LDFLAGS = -L/usr/local/lib/gcc-lib/sparc-sun-sunos4.1.3_U1/2.6.2 -lgcc >> Makefile.incl sun-forte: @cp Makefile.template Makefile.incl @echo OS = sun >> Makefile.incl @echo CC = cc >> Makefile.incl @echo CFLAGS = -fast -`fpversion -foption` >> Makefile.incl @echo FC = f77 >> Makefile.incl @echo FFLAGS = \${CFLAGS} >> Makefile.incl @echo RM = /bin/rm -f >> Makefile.incl # # These source files are dependent on parameters.incl # FINCLS = render.o parse.o quadric.o normal3d.o $(FINCLS): parameters.incl # # Actually build the programs # all: help $(PROGS) avs2ps: avs2ps.c $(CC) $(CFLAGS) $(FLAGS) $(LDFLAGS) -o avs2ps avs2ps.c -lm balls: balls.f $(FC) $(FFLAGS) $(LDFLAGS) -o balls balls.f local.o: Makefile.incl local.c $(CC) $(CFLAGS) $(FLAGS) -c local.c ungz.o: Makefile.incl ungz.c $(CC) $(CFLAGS) $(GDEFS) $(OSDEFS) -c ungz.c ribbon: ribbon.f ribbon1.f modsubs.f $(FC) $(FFLAGS) $(LDFLAGS) \ ribbon.f ribbon1.f modsubs.f -o ribbon rastep: rastep.f quadric.o suv.o $(FC) $(FFLAGS) \ rastep.f quadric.o suv.o $(LDFLAGS) \ -o rastep render: render.o local.o quadric.o parse.o r3dtogd.o ungz.o qinp.o $(FC) $(FFLAGS) \ render.o local.o quadric.o parse.o r3dtogd.o ungz.o \ qinp.o \ $(LIBS) $(LDFLAGS) \ -o render normal3d: normal3d.o quadric.o qinp.o ungz.o parameters.incl $(FC) $(FFLAGS) \ normal3d.o quadric.o ungz.o qinp.o $(LDFLAGS) \ -o normal3d stereo3d: # # Install # install: all if [ ! -e $(prefix) ] ; then mkdir -p $(prefix) ; fi if [ ! -e $(bindir) ] ; then mkdir -p $(bindir) ; fi chmod 755 $(PROGS); cp $(PROGS) $(bindir) chmod 755 $(SCRIPTS); cp $(SCRIPTS) $(bindir) if [ ! -e $(datadir) ] ; then mkdir -p $(datadir) ; fi cp materials/* $(datadir) if [ ! -e $(mandir) ] ; then mkdir -p $(mandir) ; fi cp doc/*.l $(mandir) if [ ! -e $(htmldir) ] ; then mkdir -p $(htmldir) ; fi cp html/* $(htmldir) if [ ! -e $(examdir) ] ; then mkdir -p $(examdir) ; fi if [ ! -e $(examdir)/msms ] ; then mkdir -p $(examdir)/msms ; fi cp -R examples/* $(examdir) @echo "" @echo " ********************************************" @echo " * The examples subdirectory contains input *" @echo " * scripts to verify your installation and *" @echo " * to serve as examples of use. *" @echo " ********************************************" tests: all render_small $(MAKE) -C examples $(MAKE) -j1 -C examples compare example1.png: render_small ./render_small render_small: render_small.o local.o quadric.o parse_small.o r3dtogd.o ungz.o qinp_small.o $(FC) $(FFLAGS) $^ $(LIBS) $(LDFLAGS) -o $@ .SUFFIXES: .incl SMALL=10 parameters_small.incl: parameters.incl sed 's/PARAMETER *(MAXOBJ *=.*)/PARAMETER (MAXOBJ=$(SMALL))/;' $< \ | sed 's/PARAMETER *(MAXDET *=.*)/PARAMETER (MAXDET=$(SMALL),MAXSDT=$(SMALL))/;' \ | sed 's/PARAMETER *(MAXSHR *=.*)/PARAMETER (MAXSHR=$(SMALL),MAXSSL=$(SMALL))/;' \ > $@ render_small.o parse_small.o qinp_small.o: parameters_small.incl render_small.f parse_small.f qinp_small.f: %_small.f: %.f sed 's/parameters.incl/parameters_small.incl/;' $< >$@ Raster3D_3.0-2/./balls.f0000664000471100047110000002231511327673235014601 0ustar merrittmerritt PROGRAM BALLS * * Program to set up input for RENDER * * This program takes a Brookhaven PDB-format file of atomic coordinates * concatenated with a "colours" file that specifies the colouring and spherical * radius of atoms according to atom type, residue type, or any other criterion, * and produces a file that can be used directly as input to RENDER. * * Usage: cat colors.pdb protein.pdb | balls [-h] | render * * auxiliary files: setup.matrix optional file containing 3x3 view matrix * setup.angles optional file defining view matrix * in terms of 3 rotation angles * * I/O units for colour/co-ordinate input, specs output, user output * INCLUDE 'VERSION.incl' * INTEGER INPUT, OUTPUT, NOISE PARAMETER (INPUT=5, OUTPUT=6, NOISE=0) PARAMETER (MAXCOL=5000, MAXATM=300000) REAL RGB(3,MAXCOL),RADIUS(MAXCOL) REAL SPAM(7,MAXATM) CHARACTER*24 MASK(MAXCOL),TEST CHARACTER*80 ATOM(MAXATM),CARD LOGICAL MATCH logical hflag character*80 flags c C Ethan Merritt Oct 1988 C Modified to read in 3x3 view matrix (e.g. from CCP FRODO view command) C from file setup.matrix. Matrix is applied before C finding translation, center, and scale. Afterwards the input matrix C to RENDER is therefore the identity matrix. C common /matrix/ matrix, postrn, coords real*4 matrix(3,3), postrn(3), coords(3) C C Default to CPK colors and VDW radii character*60 defcol(7) data defcol / & 'COLOUR#######C################ 0.625 0.625 0.625 1.70', & 'COLOUR#######N################ 0.125 0.125 1.000 1.60', & 'COLOUR#######O################ 0.750 0.050 0.050 1.50', & 'COLOUR#######S################ 1.000 1.000 0.025 1.85', & 'COLOUR#######H################ 1.000 1.000 1.000 1.20', & 'COLOUR#######P################ 0.400 1.000 0.400 1.80', & 'COLOUR######################## 1.000 0.000 1.000 2.00' & / c 3 format(a,a) c do i=1,3 do j=1,3 matrix(i,j)=0. enddo matrix(i,i)=1. enddo call view_matrix c c Ethan Merritt Apr 1992 c -h option suppresses header records in output c hflag = .false. narg = iargc() do i = 1, narg call getarg( i, flags ) if (flags(1:2) .eq. '-h') hflag = .true. end do c if (.not. hflag) then WRITE(OUTPUT,'(A,A)') 'balls - Raster3D ', VERSION WRITE(OUTPUT,'(A)') '80 64 tiles in x,y' WRITE(OUTPUT,'(A)') ' 8 8 pixels (x,y) per tile' WRITE(OUTPUT,'(A)') '4 anti-aliasing 3x3 -> 2x2 pixels' WRITE(OUTPUT,'(A)') '0 0 0 black background' WRITE(OUTPUT,'(A)') 'T yes, I LIKE shadows!' WRITE(OUTPUT,'(A)') '25 Phong power' WRITE(OUTPUT,'(A)') '0.15 secondary light contribution' WRITE(OUTPUT,'(A)') '0.05 ambient light contribution' WRITE(OUTPUT,'(A)') '0.25 specular reflection component' WRITE(OUTPUT,'(A)') '4.0 eye position' WRITE(OUTPUT,'(A)') '1 1 1 main light source position' end if c ASPECT = 1280./1024. NCOL = 0 NATM = 0 10 CONTINUE READ(INPUT,'(A80)',END=50) CARD IF (CARD(1:4).EQ.'COLO') THEN NCOL = NCOL + 1 IF (NCOL.GT.MAXCOL) THEN WRITE(NOISE,*) 'Colour table overflow. Increase ', & 'MAXCOL and recompile.' STOP 10 ENDIF READ(CARD,'(6X,A24,3F8.3,F6.2)') MASK(NCOL), & (RGB(I,NCOL),I=1,3),RADIUS(NCOL) ELSEIF (CARD(1:4).EQ.'ATOM'.OR.CARD(1:4).EQ.'HETA') THEN NATM = NATM + 1 IF (NATM.GT.MAXATM) THEN WRITE(NOISE,*) 'Atom array overflow. Increase ', & 'MAXATM and recompile.' STOP 20 ENDIF ATOM(NATM) = CARD ELSEIF (CARD(1:3).EQ.'END') THEN GO TO 50 ENDIF GO TO 10 * Come here when EOF or 'END' record is reached 50 CONTINUE IF (NATM.EQ.0) THEN WRITE(NOISE,*) 'No atoms in input.' STOP 30 ENDIF * Load default colors after any that were read in IF (NCOL.LT.MAXCOL-8) THEN DO i = 1,7 NCOL = NCOL + 1 READ(defcol(i),'(6X,A24,3F8.3,F6.2)') MASK(NCOL), & (RGB(J,NCOL),J=1,3), RADIUS(NCOL) ENDDO ENDIF * IF (NCOL.EQ.0) THEN WRITE(NOISE,*) 'No colours in input.' STOP 40 ENDIF XMAX = -1E20 XMIN = 1E20 YMAX = -1E20 YMIN = 1E20 ZMAX = -1E20 ZMIN = 1E20 DO 100 IATM=1,NATM CARD = ATOM(IATM) TEST = CARD(7:30) DO 80 ICOL=1,NCOL IF (MATCH(TEST,MASK(ICOL))) THEN c READ(CARD,'(30X,3F8.3)') X,Y,Z c EAM Oct88 READ(CARD,'(30X,3F8.3)') coords x = coords(1)*matrix(1,1) + coords(2)*matrix(2,1) 1 + coords(3)*matrix(3,1) y = coords(1)*matrix(1,2) + coords(2)*matrix(2,2) 1 + coords(3)*matrix(3,2) z = coords(1)*matrix(1,3) + coords(2)*matrix(2,3) 1 + coords(3)*matrix(3,3) c EAM Oct88 RAD = RADIUS(ICOL) SPAM(1,IATM) = X SPAM(2,IATM) = Y SPAM(3,IATM) = Z SPAM(4,IATM) = RAD SPAM(5,IATM) = RGB(1,ICOL) SPAM(6,IATM) = RGB(2,ICOL) SPAM(7,IATM) = RGB(3,ICOL) XMAX = MAX(XMAX,X+RAD) XMIN = MIN(XMIN,X-RAD) YMAX = MAX(YMAX,Y+RAD) YMIN = MIN(YMIN,Y-RAD) ZMAX = MAX(ZMAX,Z+RAD) ZMIN = MIN(ZMIN,Z-RAD) GO TO 100 ENDIF 80 CONTINUE WRITE(NOISE,*) 'No colour table mask matches this atom:' WRITE(NOISE,*) ATOM(IATM) STOP 90 100 CONTINUE XMID = (XMAX+XMIN)/2. YMID = (YMAX+YMIN)/2. ZMID = (ZMAX+ZMIN)/2. TX = -XMID TY = -YMID TZ = -ZMID IF (ASPECT.GE.1.) THEN * The X direction is wider than the Y XROOM = ASPECT YROOM = 1. ZROOM = 2. ELSE XROOM = 1. YROOM = ASPECT ZROOM = 2. ENDIF XSPAN = XMAX-XMIN YSPAN = YMAX-YMIN ZSPAN = ZMAX-ZMIN SCALE = MAX(XSPAN/XROOM,YSPAN/YROOM,ZSPAN/ZROOM) * Leave a little extra room as a border: SCALE = SCALE / 0.90 c if (.not. hflag) then WRITE(OUTPUT,120) TX,TY,TZ,SCALE 120 FORMAT('1 0 0 0 input co-ordinate + radius transformation'/ & '0 1 0 0'/ & '0 0 1 0'/ & 4F10.3) WRITE(OUTPUT,'(A)') '3 mixed object types' WRITE(OUTPUT,'(A)') '*' WRITE(OUTPUT,'(A)') '*' WRITE(OUTPUT,'(A)') '*' end if c DO 150 IATM=1,NATM SPAM(1,IATM) = SPAM(1,IATM) + postrn(1) SPAM(2,IATM) = SPAM(2,IATM) + postrn(2) SPAM(3,IATM) = SPAM(3,IATM) + postrn(3) WRITE(OUTPUT,140) (SPAM(I,IATM),I=1,7) 140 FORMAT(1H2,/,7(1X,F8.3)) 150 CONTINUE write (noise,'(/)') write (noise,156) 'X min max:', XMIN, XMAX write (noise,156) 'Y min max:', YMIN, YMAX write (noise,156) 'Z min max:', ZMIN, ZMAX write (noise,156) ' scale:', SCALE 156 format(1x,a,3f8.2) END LOGICAL FUNCTION MATCH (SUBJ, MASK) CHARACTER*24 SUBJ,MASK MATCH = .FALSE. DO 10 I = 1, 24 IF (SUBJ(I:I).NE.MASK(I:I) .AND. MASK(I:I).NE.'#') RETURN 10 CONTINUE MATCH = .TRUE. RETURN END subroutine view_matrix c common /matrix/ matrix, postrn, coords real*4 matrix(3,3), postrn(3), coords(3) c real*4 phiX, phiY, phiZ integer noise parameter (noise = 0) parameter (R2D = 180./3.1415927) postrn(1) = 0. postrn(2) = 0. postrn(3) = 0. open (unit=3, file='setup.matrix', status='OLD', err=100) read (3,*) ((matrix(i,j),i=1,3),j=1,3) write (noise,'(1x,3f9.5)') ((matrix(i,j),i=1,3),j=1,3) close (3) det = matrix(1,1) * matrix(2,2) * matrix(3,3) 1 + matrix(1,2) * matrix(2,3) * matrix(3,1) 2 + matrix(2,1) * matrix(3,2) * matrix(1,3) 3 - matrix(1,3) * matrix(2,2) * matrix(3,1) 4 - matrix(1,2) * matrix(2,1) * matrix(3,3) 5 - matrix(1,1) * matrix(2,3) * matrix(3,2) write (noise,'('' determinant ='',f8.3)') det phiX = atan2( -matrix(3,2), matrix(3,3) ) phiY = atan2( matrix(3,1), matrix(3,3) / cos(phiX) ) phiZ = atan2( -matrix(2,1), matrix(1,1) ) write (noise,3) ' View Angles from matrix',' ' write (noise,2) phiZ*R2D, phiY*R2D, phiX*R2D return 100 continue open (unit=3, file='setup.angles', status='OLD', err=200) read (3,*) phiZ, phiY, phiX read (3,*,err=101,end=101) postrn(1), postrn(2), postrn(3) 101 continue close (3) write (noise,2) phiZ, phiY, phiX write (noise,4) postrn(1), postrn(2), postrn(3) cx = cos(phiX/R2D) sx = sin(phiX/R2D) cy = cos(phiY/R2D) sy = sin(phiY/R2D) cz = cos(phiZ/R2D) sz = sin(phiZ/R2D) matrix(1,1) = cz*cy matrix(1,2) = sz*cx + cz*sy*sx matrix(1,3) = sz*sx - cz*sy*cx matrix(2,1) = -sz*cy matrix(2,2) = cz*cx - sx*sy*sz matrix(2,3) = cz*sx + sz*sy*cx matrix(3,1) = sy matrix(3,2) = -sx*cy matrix(3,3) = cx*cy write (noise,3) ' View Matrix from angles',' ' write (noise,'(1x,3f9.5)') ((matrix(i,j),i=1,3),j=1,3) return 200 continue 2 format(1x,' phiZ =',f8.2,' phiY =',f8.2,' phiX =',f8.2) 3 format(/a,a) 4 format(1x,' tranX =',f8.2,' tranY =',f8.2,' tranZ =',f8.2) write (noise,*) ' No view matrix or angles provided' return end Raster3D_3.0-2/./INSTALL0000644000471100047110000001325211503460067014355 0ustar merrittmerritt%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% % To install Raster3D % %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% The installation process for Raster3D uses a single set of Makefiles shared by all platforms. User configurable options are contained in two files: Makefile.template select or deselect TIFF support, etc 1) Make sure the development version of any necessaary support libraries are installed. This primarily means libgd, which is used to produce png and jpeg files. If you want to build in support for direct tiff output then you also need libtiff. 2) inspect Makefile.template to make sure that it is appropriate for your site, and possibly edit the file to enable or disable the following options: -jpeg enabled by default (JPEG output) -png enabled by default (PNG output) -tiff enabled by default (TIFF output) -sgi disabled by default (SGI libimage output) GUNZIP enabled by default (auto-decompression of input files) 3) Configure the Makefiles for your operating system. make help gives a list of supported OS options make OS (OS is your operating system name) configures things 4) Build the programs make all 5) Install the package make install 6) Add R3D_LIB to your system-wide initialization of environmental variables, or instruct users to insert one of the following into their login shell initialization. If you change the installation location to something other than /usr/local/share/Raster3D then you need to modify the examples below accordingly: csh/tcsh: setenv R3D_LIB /usr/local/share/Raster3D/materials sh/ksh/bash: R3D_LIB=/usr/local/share/Raster3D/materials export R3D_LIB These commands are provided in files Raster3D.csh and Raster3D.sh Depending on your system configuration, it may be sufficient to simply copy these two files into directory /etc/profile.d 7) [Optional] You may want to teach ImageMagick how to use the Raster3D rendering program as a delegate. You can do this by adding lines at the end of the ImageMagick configuration file. It probably has a name similar to this: /usr/lib64/ImageMagick-6.5.0/config/delegates.xml # Versions 5.x and 6.x of ImageMagick uses XML for the delegate file # Use Raster3D rendering program as a delegate for files ending in .r3d 8) Go to the examples subdirectory and try running the example scripts to verify installation. A sample installation on a DEC Alpha might go: vi Makefile.template # check options and installation directories make linux # configure make all # build the programs make install # install them cd examples # run the demo/verification scripts ./example1.script ./example2.script ./example3.script ... and so on ... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% % Known Problems % %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% === linux === === OSX === None known, but that will probably change. === OS/2 (old advice, but maybe still relevant) === Uwe Baumert reports the following: >> I'm pleased to say that I was also able to compile your Raster3D package >> under OS/2 (Linux will follow). I used f2c 19970211. I had to modify some >> code (I got wrong iocontrols etc.). [EAM - He means the CARRIAGECONTROL option in the normal3d.f OPEN statements; just delete these two lines from the source code]. >> I compiled against the libtiff-library (version 4.2). I used the one that >> was included in the NETPBM-Port of Peter Meerwald (pmeerw@cosy.sbg.ac.at) >> and is available from >> ftp://ftp.leo.org/pub/comp/os/os2/leo/graphics/netpbm*.zip. === Windows (old advice, but maybe still relevant) === Suhaib Siddiqi has kindly provided a pre-built set of Raster3D executables for version 2.6c, which is available from the Raster3D web site. If you want to build Raster3D from source under Windows, I can't help you. But here is a recipe that Suhaib provided earlier for builing with the cygwin environment. (I gather that he used a different procedure altogether when building 2.6c but I do not know any details). >> I have successfully compiled Raster3D 2.4g on Windows NT/95/98. It is a >> direct port of your source code without any modifications or deletions. >> >> 1) Go to http://sourceware.cygnus.com/cygwin >> 2) Download G77 and ObjectC in addition to Cygwin-B20 >> 3) Unmount C drive (umount -a /) and remonut as binary (mount -b c: /). It >> is very important. >> 4) Install Cygwin-b20 in C:\usr, instead of default directories. >> 5) Download Cygwin-B20 >> 6) Download Jpeg, PNG and TIFF libraries from ftp.uu.net >> 7) Compile Jpeg,PNG and TIFF with Cygwin-B20 and install >> 8) Install all the jpeg and tiff libraries in /usr/local >> 9) download Raster3D source code and etxract using tar utility supplied with >> Cygwin-b20. Download Raster3D_xxx.gz (rather than .Z) as >> Cygwin-B20 only handles gzip compression. >> (Note: Don't use WinZip or any other Windows programs to extract archive of >> Raster3D and JPEG etc libraries otherwise you will get parse errors during >> compilation). >> >> Please let your users know that they will also need to download compiled >> binaries of Image Formate Libraries from http://www.sgi.com - Go to OpenGL >> web pages and look for OpenGL Optimizer Version 1.1 download site. You will >> find Image Formate Libraries for Windows there. I used these libraries >> together with libjepg.a and libtiff.a for linking. They produced better >> results - that is images were of better quality. >> >> To use Raster3D from /usr/H-i586-cygwin32/bin copy cygwin1.dll to Raster3D >> directory and include Raster3D to your Windows enviroment. That is it. >> Raster3D_3.0-2/./ribbon.f0000664000471100047110000001230611327673235014756 0ustar merrittmerrittC === RIBBON === C (extracted from frodo.tlb in CCP program package) C SUBROUTINE RIBBON(NRIB,RIBWID,NCHORD,OFFSET,NATOM) C ================================================== C C Generate guide points for protein ribbon, based on ideas on C Carson & Bugg, J.Molec.Graphics 4,121-122 (1986) C C Guide points for Bspline are generated along a line passing C through each CA and along the average of the two peptide planes C C NRIB number of strands in ribbon (maximum=MAXRIB=15) C RIBWID total ribbon width C NCHORD number of chords/residue C OFFSET amount to offset guide points away from CA positions C NATOM number of atoms stored in arrays C PARAMETER (MAXRIB=5,MAXRES=1500) PARAMETER (NOISE=0) DIMENSION GUIDE(4,MAXRES,MAXRIB) DIMENSION XCA(3,2),XO(3,2),A(3),B(3),C(3),D(3),E(3),F(3), . G(3),H(3),P(3) C C Maximum CA-CA distance **2 PARAMETER (DISMAX=6.**2) C IF(NATOM.LE.0) THEN WRITE(NOISE,1005) 1005 FORMAT(' No atoms selected') RETURN ENDIF C IF(NRIB.GT.MAXRIB) THEN WRITE(NOISE,1001) NRIB,MAXRIB 1001 FORMAT(' Too many ribbon strands',I6,' reset to ',I6) NRIB=MAXRIB ENDIF C WRITE(NOISE,1002) NRIB,RIBWID,NCHORD,OFFSET 1002 FORMAT(' Ribbon drawn with',I4,' strands, width ',F6.2, . 'A'/' Number of chords =',I3,', offset = ',F6.2,'A') C C Strand separation DRIB=0. IF(NRIB.GT.1) DRIB=RIBWID/(NRIB-1) RIB2=FLOAT(NRIB+1)/2. C NAT=1 C C Get first CA and O 1 CALL GETCAO(XCA(1,1),XO(1,1),NAT,NATOM,IERR) CEAM IF(NAT.LE.0) RETURN CEAM IF(IERR.NE.0) GO TO 1 IF(IERR.NE.0) RETURN I=0 C C Loop for residues 10 I=I+1 C Get CA and O for residue I+1 CALL GETCAO(XCA(1,2),XO(1,2),NAT,NATOM,IERR) C Set LEND = 1 for end of chain under 3 conditions: C (a) all atoms done; (b) one fo CA or O missing; (c) break in chain IF(NAT.LT.0.OR.IERR.NE.0) THEN LEND=1 ELSE LEND=0 ENDIF C IF(LEND.EQ.0) THEN C Not last one unless CA-CA distance too large C A is vector CAi to Ci+1 CALL VDIF(A,XCA(1,2),XCA(1,1)) IF(DOT(A,A).GT.DISMAX) LEND=1 ENDIF IF(LEND.EQ.0) THEN C Not last one C B is vector CAi to Oi CALL VDIF(B,XO(1,1),XCA(1,1)) C C = A x B; D = C x A CALL CROSS(A,B,C) CALL CROSS(C,A,D) CALL UNIT(D) C IF(I.EQ.1) THEN C First peptide, no previous one to average with CALL VSET(E,D) C No offset for first CA CALL ZEROI(P,3) ELSE C Not first, ribbon cross vector is average of peptide plane C with previous one CALL SCALEV(B,SIGN(1.,DOT(D,G)),D) CALL VSUM(E,G,B) C Offset is along bisector of CA-CA-CA vectors A (H is Ai-1) CALL VDIF(P,H,A) CALL UNIT(P) ENDIF ELSE C Last one, just use last plane CALL VSET(E,G) C No offset for last CA CALL ZEROI(P,3) ENDIF C Normalise vector E CALL UNIT(E) C WRITE(NOISE,1003) I,G,D,B,E C1003 FORMAT(' I,G,D,B,E',I4,4(3X,3F8.2)/) C C C Generate guide points CALL SCALEV(P,OFFSET,P) CALL VSUM(P,XCA(1,1),P) C DO 20,J=1,NRIB FR=(FLOAT(J)-RIB2)*DRIB CALL SCALEV(F,FR,E) CALL VSUM(GUIDE(1,I,J),P,F) C EAM - Maybe should be NAT-2 ?? guide(4,i,j) = NAT - 3 20 CONTINUE C C Store things for next residue CALL VSET(XCA(1,1),XCA(1,2)) CALL VSET(XO(1,1),XO(1,2)) CALL VSET(G,E) CALL VSET(H,A) C IF(LEND.EQ.0) GO TO 10 C NPT=I CALL RIBDRW(GUIDE,NRIB,MAXRES,NPT,NCHORD) C C Loop chains if required CEAM IF(NAT.GT.0) GO TO 1 IF (IERR.EQ.0) GOTO 1 C RETURN END C C SUBROUTINE pdb_GETCAO(XCA,XO,NAT,NATOM,IERR) C ======================================== C C Get coordinates of CA in XCA, O in XO, C Modified to read sequential CA and O records in PDB format from file C C On exit: NAT next atom C IERR =0 if succesfull, else = 1 C DIMENSION XCA(3),XO(3) C integer PDBFILE parameter (PDBFILE = 1) character*1 a1, rescode(2) character*3 resname(2) character*4 reclabel, atname integer resno(2) C ierr=0 read (pdbfile,2,end=100) reclabel, nat, atname, a1, resname(1), 1 a1, resno(1), rescode(1), xca(1), xca(2), xca(3) read (pdbfile,2,end=100) reclabel, nat, atname, a1, resname(2), 1 a1, resno(2), rescode(2), xo(1), xo(2), xo(3) 2 format(a4,2x,i5,1x,a4,a1,a3,1x,a1,i4,a1,3x,5f8.3,2f6.2,1x,i3) if (resname(1) .ne. resname(2)) ierr = 1 if (resno(1) .ne. resno(2)) ierr = 1 if (rescode(1) .ne. rescode(2)) ierr = 1 return 100 continue ierr = 1 nat = -1 return end SUBROUTINE GETCAO(XCA,XO,NAT,NATOM,IERR) C ======================================== C C Get coordinates of CA in XCA, O in XO, C modified to get coords from common /SPAM/ C C On exit: NAT next atom C IERR =0 if succesfull, else = 1 C DIMENSION XCA(3),XO(3) C parameter (MAXATOM=10000) common /SPAM/ natm, SPAM(4,MAXATOM), SCAM(MAXATOM) integer SCAM c if ((nat .gt. natm) .or. (nat .gt. natom-1)) then ierr = 1 CEAM nat = -1 return end if do i=1,3 xca(i) = spam(i,nat) xo(i) = spam(i,nat+1) end do nat = nat + 2 ierr = 0 return end subroutine zeroi( a, nwords ) integer*4 a(nwords) do i = 1,nwords a(i) = 0 end do return end Raster3D_3.0-2/./label3d0000775000471100047110000000772711327673235014603 0ustar merrittmerritt#!/bin/sh # # Raster3D labeling script label3d V2.7a # ====================================== # # Ethan A Merritt April 2002 # # Usage # label3d -tiff [outfile.tiff] < inputfile.r3d > file_with_labels.tiff # label3d [-png [outfile.png]] < inputfile.r3d > file_with_labels.png # # Environmental variables # FONTSCALE controls mapping of nominal font size to height in pixels # TMPDIR controls where scratch files will be written # # Changes # - 2.6d is a fairly major change; the older version is label3d_old # - output to stdout, rather than always to a file ./label3d.tiff # - temporary files are placed in $TMPDIR if defined, else /usr//tmp # - together these changes mean you can run label3d from a directory # for which you do not have write access # - add -png option (tiff is still the default) # - 2.6g default to png # # Requirements # - Requires ghostscript and ImageMagick. # ImageMagick behavior is version-dependent (fooey on them!) # so you may have to edit this script if you update ImageMagick # currently known to work for V2.4.9 and V5.3.2 # - Depending on what size images you typically produce, # you might want to change the default FONTSCALE definition below # if [ ! "$FONTSCALE" ]; then FONTSCALE=3.0; fi # # Construct base name for scratch files # #echo "DEBUG TMPDIR is $TMPDIR" 1>&2 if [ "$TMPDIR" ]; then tmp=$TMPDIR/$$ else tmp=/usr/tmp/$$ fi #echo "DEBUG scratch files to $tmp" 1>&2 # # Parse command line options (currently only -png) # unset outfile unset img previous= for option in $* do if [ "$option" = "-png" ]; then img=png; elif [ "$option" = "-tiff" ]; then img=tiff; else if [ "$previous" = "-tiff" ] || [ "$previous" = "-png" ] ; then if [ `echo "$option" | sed -e 's/\(.\).*/\1/'` != "-" ]; then outfile="$option" fi else echo "label3d version 2.7a" echo "unrecognized option: $option" 1>&2 echo "Usage: label3d [-tiff [out.tiff]] [-png [out.png]] < in.r3d > outfile" exit -1 fi fi previous="$option" done if [ "$img" != "tiff" ]; then img=png fi #DEBUG # if [ "$outfile" ]; then # echo "DEBUG label3d: $img output to $outfile" 1>&2 # else # echo "DEBUG label3d: $img output to stdout" 1>&2 # fi #DEBUG # # Buffer input to scratch file # cat > ${tmp}_label3d.tmp # # rm -f ${tmp}_render.${img} ${tmp}_label3d.ps render -labels ${tmp}_label3d.ps -fontscale $FONTSCALE -${img} ${tmp}_render.${img} < ${tmp}_label3d.tmp if [ ! -e ${tmp}_render.${img} ]; then echo "label3d: could not find output ${tmp}_render.${img} from render" 1>&2 rm -f ${tmp}_* exit -1 fi if [ ! -e ${tmp}_label3d.ps ]; then cat ${tmp}_render.${img} echo "label3d: no labels found" 1>&2 rm -f ${tmp}_* exit 0 fi # IMAGESIZE=`identify ${tmp}_render.${img} | sed -e 's/.* \([0-9]*x[0-9]*\).*/\1/'` if ( gs -sDEVICE=png16m -dNOPAUSE -q -sOutputFile=${tmp}_label3d.png \ -g$IMAGESIZE ${tmp}_label3d.ps -c quit ) then echo "label3d: labels written to ${tmp}_label3d.png" 1>&2 else echo "label3d: GhostScript error" 1>&2 rm -f ${tmp}_* exit -1 fi # # Insure that the labels are on a transparent background # NB: ImageMagick version 6+ syntax! # convert ${tmp}_label3d.png -fill none -draw "matte 0,0 replace" ${tmp}_label3d.miff # # This works with ImageMagick 4.2.9 and many (most?) other older versions # if ( combine -compose over \ ${tmp}_render.${img} ${tmp}_label3d.miff ${tmp}_label3d.${img} 2>/dev/null) then echo "label3d: using combine" 1>&2 # # This works with ImageMagick 5.3.2 # else echo "label3d: using composite instead of combine" 1>&2 composite -compose over ${tmp}_label3d.miff ${tmp}_render.${img} ${tmp}_label3d.${img} fi # # output to explicit file or to stdout # if [ "$outfile" ]; then mv ${tmp}_label3d.${img} $outfile else cat ${tmp}_label3d.${img} fi # # Cleanup # # echo "label3d: cleanup" 1>&2 rm -f ${tmp}_label3d.ps ${tmp}_label3d.${img} rm -f ${tmp}_label3d.tmp ${tmp}_label3d.png ${tmp}_label3d.miff ${tmp}_render.${img} exit 0 Raster3D_3.0-2/./README0000644000471100047110000000307711503460067014210 0ustar merrittmerrittMost recent change: 19-Dec-2010 The file Raster3D_3.0.tar.gz contains the full source distribution for version 3.0 of Raster3D. See CHANGELOG for a history of changes to the package. - In a nutshell, the installation procedure is: 1) Review the contents of Makefile.template 2) make help (prints a list of OS names) 3) make OS (where OS is your operating system name) 4) make all (builds the programs) 5) make install (copies files to system directories) 6) modify user login environment to include R3D_LIB e.g. setenv R3D_LIB /usr/local/share/Raster3D/materials 7) (optional) modify ImageMagick delegates file so that ImageMagick recognizes *.r3d files by default. On my systems this file is in /usr/lib/ImageMagick-6.3.2/config/delegates.xml Add the following line - Changes in Version 3.0 + new code in rastep to support Skittles validation (introduced in 2.9) + dynamic array allocation + png/jpeg output using libgd + labels handled by libgd If you run into installation problems, please let me know, particularly if you can also tell me what you did to fix it! For optimal use of Raster3D you should also obtain - John Cristy's ImageMagick package for image manipulation and viewing (source distribution available from www.ImageMagick.org) - Version 2.0 or greater of Per Kraulis's program Molscript To build support for direct output of TIFF files - Some version of a TIFF library Ethan A Merritt merritt@u.washington.edu Raster3D_3.0-2/./local.c0000644000471100047110000005251511520060351014556 0ustar merrittmerritt/* * Raster3D V3.0 * local.c * * Output from render.f is performed by calls to routine LOCAL. * * This version of local.c supports 6 output modes, 5 of which * are controlled by conditional compilation directives. * * mode 0 AVS image file sent to stdout * (2 integer header followed by AlphaRGB bytes) * Alpha byte is set to 255 if no explicit alpha * values are passed from the caller * * mode 1 original, long-obsolete, private format * * mode 2 #ifdef LIBIMAGE_SUPPORT * calls to the libimage library if LIBIMAGE_SUPPORT is defined * (probably only makes sense on an SGI machine) * * mode 3 #ifdef TIFF_SUPPORT * calls to the TIFF library if TIFF_SUPPORT is defined * * mode 4 #ifdef GD_SUPPORT * JPEG image output to file (defaults to stdout) * * mode 5 #ifdef GD_SUPPORT * libgd PNG image output to file (defaults to stdout) * * Command line switches other than output file format handled elsewhere * here we recognize * -invert invert y coordinate axis * -jpeg [filename] for jpeg output * -png [filename] for png output * -avs [filename] for AVS output * -sgi [filename] SGI libimage format output * -tiff [filename] TIFF output format */ #include #include #include #include #include #include #include #ifdef LIBIMAGE_SUPPORT #include #endif #ifdef TIFF_SUPPORT #include #include #if defined(LINUX) || defined(OSX) #include #endif #endif /* TIFF_SUPPORT */ #if defined GD_SUPPORT #include "gd.h" #endif /* Pick up version number from same include file used by Makefile */ char * #include "VERSION" ; /* Define bits in returned status */ #define ANTIALIAS 007 #define INVERT 010 #define DEBUGGING 020 /* Define bits passed in 3rd parameter of mode 1 */ #define ALPHACHANNEL 040 int alpha_channel = 0; /* Loaded by mode 5; used to initialize image file by mode 1 */ static int bkg_r = 0, bkg_g = 0, bkg_b = 0; /* Define bits to be pass to both the local_() and addlabel_() functions */ static int xsize = 0, ysize = 0; static int mode = -1; /* this is needed by goth local_() and addlabel_() */ #if defined GD_SUPPORT /* For -png OR -jpeg (using libgd) output option only */ static gdImagePtr molecule_img = NULL; static gdImagePtr label_img = NULL; #endif /* HPUX lacks Fortran intrinsic functions AND and OR for some reason, */ /* so I put a copy here. On the other hand HPUX has an unusually sane */ /* calling convention for Fortran subroutine names. */ #if defined(__hpux) #define local_ local int and(i,j) int *i,*j; {return (*i & *j);} int or(i,j) int *i,*j; {return (*i | *j);} #endif #if defined(gfortran) int and_(i,j) int *i,*j; {return (*i & *j);} int or_(i,j) int *i,*j; {return (*i | *j);} #endif size_t trimwhitespace(char *out, size_t len, const char *str); int local_(option,buffer1,buffer2,buffer3,buffer4) int *option; short *buffer1, *buffer2, *buffer3, *buffer4; { /* Everyone needs these */ int i; static char *ofile; int status = 0; int invert = 0; int bits; static int quality = 90; static time_t start_time, end_time; static char program_name[20] = "Raster3D G"; /* For -original output mode only */ static int header[8] = { 3, 1, 1, 0, 0, 0, 0, 0 }; char *c = (void *)header; #ifdef LIBIMAGE_SUPPORT /* For -sgi output mode only */ static IMAGE *image; static int row=0; #endif #ifdef TIFF_SUPPORT /* For -tiff output option only */ static TIFF *tfile; static unsigned char *scanline; unsigned short rows_per_strip; void my_write_tiff(); #endif /****************************************************************/ /* The action taken by this subroutine is determined by the */ /* option parameter. The first call (option=0) determines the */ /* output mode. */ /* As of V2.2.1 multiple bits may be set in the value returned. */ /****************************************************************/ if (*option == 0) { strncpy( &program_name[9], VERSION, strlen(VERSION)+1 ); if (strncmp( (char *)buffer1, "-invert", 7) ==0) { invert = !invert; buffer1 = buffer2; buffer2 = buffer3; buffer3 = buffer4; } if (strncmp( (char *)buffer1, "-tiff", 5) == 0) { #ifdef TIFF_SUPPORT mode = 3; ofile = (char *)buffer2; #else fprintf(stderr, "\n This copy of render was not built with tiff support\n"); exit(-1); #endif #ifndef TIFF_INVERT invert = !invert; #endif } /* Version 2.7a - AVS used to be the default, but no longer */ else if (strncmp( (char *)buffer1, "-avs" , 4) == 0) { mode = 0; } else if (strncmp( (char *)buffer1, "-sgi" , 4) == 0) { #ifdef LIBIMAGE_SUPPORT mode = 2; ofile = (char *)buffer2; invert = !invert; #else fprintf(stderr, "\n This copy of render was not built with sgi libimage support\n"); exit(-1); #endif } else if (strncmp( (char *)buffer1, "-jpeg" , 5) == 0) { #ifdef GD_SUPPORT /* JPEG */ mode = 4; ofile = (char *)buffer2; #else fprintf(stderr, "\n This copy of render was not built with libgd jpeg support\n"); exit(-1); #endif } else if (strncmp( (char *)buffer1, "-png" , 4) == 0) { #ifdef GD_SUPPORT /* PNG */ mode = 5; ofile = (char *)buffer2; #else fprintf(stderr, "\n This copy of render was not built with libgd png support\n"); exit(-1); #endif } /* This option is long since deprecated */ else if (strncmp( (char *)buffer1, "-orig", 5) == 0) { mode = 1; invert = !invert; } else if (strncmp( (char *)buffer1, " ", 2) != 0) { fprintf(stderr, "\n%s",program_name); if (strncmp( (char *)buffer1, "-help", 5) != 0) fprintf(stderr, "\n Unfamiliar switch: %12.12s", (char *)buffer1); fprintf(stderr, "\n\n Usage:"); fprintf(stderr, "\n input from stdin; output mode controlled from command line \n"); fprintf(stderr, "\n render [-png [outfile]] PNG image to stdout (default) or file"); fprintf(stderr, "\n render -jpeg [outfile] JPEG image to stdour (default) or file"); fprintf(stderr, "\n render -avs AVS image to stdout"); #ifdef LIBIMAGE_SUPPORT fprintf(stderr, "\n render -sgi [outfile] output to SGI libimage file (defaults to render.rgb)"); #endif #ifdef TIFF_SUPPORT fprintf(stderr, "\n render -tiff [outfile] output to TIFF file (defaults to render.tif)"); #endif fprintf(stderr,"\n"); fprintf(stderr,"\n Options:"); fprintf(stderr,"\n these over-ride contents of input stream header records \n"); fprintf(stderr,"\n -aa anti-aliasing (SCHEME 4)"); fprintf(stderr,"\n -alpha alpha channel in output image (SCHEME 0)"); fprintf(stderr,"\n -bg white|black| set background color ( is hex #RRGGBB)"); fprintf(stderr,"\n -debug verbose output while running"); fprintf(stderr,"\n -draft no anti-aliasing (SCHEME 1)"); fprintf(stderr,"\n -fontscale FF multiplier for libgd font size [default 1.0]"); fprintf(stderr,"\n -gamma GG gamma correction applied to output image"); fprintf(stderr,"\n -invert invert y axis"); fprintf(stderr,"\n -labels pass labels to libgd to composite with molecular image"); fprintf(stderr,"\n -quality QQ 0 < QQ < 95 jpeg compression [default 90]"); fprintf(stderr,"\n -[no]shadow enable or disable shadowing"); fprintf(stderr,"\n -size HHHxVVV specify size of output image in pixels"); fprintf(stderr,"\n -transparent same as -alpha (SCHEME 0)"); fprintf(stderr,"\n -zoom ZZ[%%] rescale image by ZZ "); fprintf(stderr,"\n"); exit(-1); } else /* default to png */ { #ifdef GD_SUPPORT /* PNG */ mode = 5; ofile = (char *)buffer2; #else fprintf(stderr, "\n This copy of render was not built with libgd png support\n"); fprintf(stderr, "Defaulting to AVS instead\n"); mode = 0; #endif } if (invert) status |= INVERT; return( status ); } /****************************************************************/ /* Subsequent calls are treated differently depending on mode */ /****************************************************************/ if (mode < 0) { fprintf(stderr,"\n Output mode not set before output request\n"); exit(-1); } /****************************************************************/ /* Open output file and initialize image descriptor information */ /****************************************************************/ else if (*option == 1) { xsize = *(int *)buffer1; ysize = *(int *)buffer2; bits = *(int *)buffer3; quality = *(int *)buffer4; if (bits & ALPHACHANNEL) alpha_channel = 1; if (mode == 0) /* avs */ { #ifdef NETWORKBYTEORDER putw( htonl(xsize), stdout ); putw( htonl(ysize), stdout ); #else putw( xsize, stdout ); putw( ysize, stdout ); #endif } if (mode == 1) /* original */ { header[3] = xsize; header[4] = ysize; for (i=0; i>1); /* inverse bitwise shift */ gdImageSetPixel(molecule_img, i, j, pixel_color); } /* TODO: Check the following to see if it is faster than the above. */ #else for (i=0; itpixels[j][i] = gdTrueColorAlpha( buffer1[i], buffer2[i], buffer3[i], (255-buffer4[i])>>1); } #endif else for (i=0; i= 7) { fprintf(stderr,"\n local.c: illegal output mode\n"); exit(-1); } return(1); } /****************************************************************/ /* Close output file if necessary */ /****************************************************************/ else if (*option == 3) { #ifdef LIBIMAGE_SUPPORT if (mode == 2) iclose(image); else #endif #ifdef TIFF_SUPPORT if (mode == 3) { (void) TIFFFlushData(tfile); #if defined(LINUX) || defined(OSX) signal( SIGSEGV, SIG_IGN ); #endif /* LINUX */ (void) TIFFClose(tfile); } else #endif #ifdef GD_SUPPORT /* JPEG + PNG */ if (mode == 4 || mode == 5) { if (label_img) { /* gdImageAlphaBlending(molecule_img, 0); gdImageSaveAlpha(molecule_img, 1); */ gdImageSetTile(molecule_img, label_img); gdImageFilledRectangle(molecule_img, 0, 0, xsize, ysize, gdTiled); } /*if (*ofile != ' ' && *ofile != '-')*/ if (ofile) { FILE *fd = fopen(ofile,"wb"); if (!fd) { fprintf(stderr,"Could not open output file %s\n",ofile); exit(-1); } if (mode == 4) gdImageJpeg(molecule_img, fd, quality); else gdImagePng(molecule_img, fd); fclose(fd); if (label_img) { gdImageDestroy(label_img); } } else if (mode == 4) gdImageJpeg(molecule_img, stdout, quality); else gdImagePng(molecule_img, stdout); gdImageDestroy(molecule_img); } else #endif /* NOP */ ; end_time = time(NULL); fprintf(stderr,"rendering time - %5d sec\n",(int)(end_time-start_time)); return(1); } /****************************************************************/ /* Add title to image file */ /****************************************************************/ else if (*option == 4) { #ifdef LIBIMAGE_SUPPORT if (mode == 2) isetname(image,buffer1); else #endif #ifdef TIFF_SUPPORT if (mode == 3) TIFFSetField(tfile,TIFFTAG_IMAGEDESCRIPTION,buffer1); else #endif /* NOP */ ; return(1); } /****************************************************************/ /* Load background color to local storage */ /****************************************************************/ else if (*option == 5) { bkg_r = *buffer1; bkg_g = *buffer2; bkg_b = *buffer3; /* fprintf(stderr,"Loading background color %d %d %d\n", bkg_r, bkg_g, bkg_b); */ return(1); } return 0; } #ifdef TIFF_SUPPORT void my_write_tiff(fp, buf1, buf2, buf3, buf4, size, scanline) TIFF *fp; short buf1[], buf2[], buf3[], buf4[]; int size; unsigned char scanline[]; { static int row=0; int i; int j = 0; if (alpha_channel) for (i=0; i str && isspace(*end)) end--; end++; /* Set output size to minimum of trimmed string length and buffer size * minus 1 */ out_size = (end - str) < len-1 ? (end - str) : len-1; /* Copy trimmed string and add null terminator */ memcpy(out, str, out_size); out[out_size] = 0; return out_size; } Raster3D_3.0-2/./Makefile.win320000644000471100047110000000536011502034116015715 0ustar merrittmerritt# # Raster3D makefile for Windows using gnu GCC/G77 compiler environment # contributed by Suhaib Siddiqi for version 2.6c # See also the notes in the INSTALL file. # # # Where to put things # prefix = G:/cygwn/mingw32/local bindir = $(prefix)/bin mandir = $(prefix)/man/manl # CC = gcc F2 = f2c #F2 = f77 FC = g77 RM = rm -f # INSTALL = /bin/install -o root -g root # LDFLAGS = CFLAGS = -O1 -m486 -fnative-struct FFLAGS = -O1 #LDFLAGS = -fast #CFLAGS = -fast #FFLAGS = -fast # # TIFF support (enabled by default) # add -DTIFF_SUPPORT to the DEFINES statement. # add -ltiff to the LIBS definition. # The TIFF_INVERT option is a work-around for broken programs # (e.g. PhotoShop) that don't properly read the TIFF header. # # JPEG support (disabled by default) # add -DJPEG_SUPPORT to the DEFINES statement. # add -ljpeg to the LIBS definition. # LIBS = -LG:/cygwin/mingw32/lib -ltiff -ljpeg -lz DEFINES = -DTIFF_SUPPORT -DJPEG_SUPPORT -DLINUX -DWIN32 -D__MSVCRT__ INCLUDES = -Ic:/gnu/mingw32/include RIBOBJS = ribbon.o ribbon1.o modsubs.o PROGS = balls normal3d rastep rods ribbon render avs2ps rings3d all: $(PROGS) clean: rm -f *.o *.u core rm -f $(PROGS) install: $(PROGS) $(INSTALL) -m 755 $(PROGS) $(bindir) $(INSTALL) -m 755 stereo3d $(bindir) $(INSTALL) -m 755 worms $(bindir) $(INSTALL) -m 644 doc/*.l $(mandir) @echo " *******************************************" @echo " * The examples/ subdirectory contains *" @echo " * files to verify your installation and *" @echo " * to serve as examples of use. *" @echo " *******************************************" tar: (cd ..; tar -czvf Raster3D_$(VERSION).tar.gz raster3d) ribbon: $(RIBOBJS) $(FC) $(LDFLAGS) $(RIBOBJS) -o ribbon rods: $(FC) $(FFLAGS) rods.f $(CFLAGS) $(LDFLAGS) -o rods balls: $(FC) $(FFLAGS) balls.f $(CFLAGS) $(LDFLAGS) -o balls local.o: local.c $(CC) $(CFLAGS) $(INCLUDES) $(DEFINES) -c local.c ungz.o: ungz.c $(CC) $(CFLAGS) -DGUNZIP -c ungz.c quadric.o: quadric.f render.f.bak: mv render.f render.f.bak egrep -v '(CARRIAGECONTROL|DISPOSE)' render.f.bak > render.f render: render.f.bak local.o quadric.o parse.o r3dtops.o ungz.o $(FC) $(FFLAGS) render.f local.o quadric.o parse.o r3dtops.o ungz.o \ $(LIBS) -o render normal3d: normal3d.f.bak normal3d.f quadric.o ungz.o $(FC) $(FFLAGS) normal3d.f quadric.o ungz.o -o normal3d normal3d.f.bak: mv normal3d.f normal3d.f.bak egrep -v '(CARRIAGECONTROL|DISPOSE)' normal3d.f.bak > normal3d.f avs2ps: avs2ps.c $(CC) $(CFLAGS) $(LDFLAGS) avs2ps.c -o avs2ps -lm rastep: rastep.f.bak rastep.f quadric.o suv.o $(FC) $(FFLAGS) rastep.f quadric.o suv.o -o rastep rastep.f.bak: mv rastep.f rastep.f.bak grep -v CARRIAGECONTROL rastep.f.bak > rastep.f Raster3D_3.0-2/./r3dtogd.f0000644000471100047110000001476511503300713015042 0ustar merrittmerritt******************************************************************************* * Support routines for libgd labels * ******************************************************************************* * Version 3.0 * * PCC Apr 2010 - Initial version (some code came from r3dtops.f) * PCC May 2010 - Allow for LABELSTRING to have null pointers * EAM Dec 2010 - Fix antialiasing scales ******************************************************************************* * * These routines are called from render.f to handle object types 10, 11 and 12. * The parsed information will be passed onto the mylabel_() function in local.c * * The "libgd file" describes a canvas with the same dimension in pixels as * the image created by render. The libgd canvas can be composited on top * of the rendered image to produce a labeled figure. * * Object types 10 and 11 are used for specifying labels. * Label object types are * - type 10: Font_Name size alignment * - type 11: XYZ RGB on first line * label (ascii characters enclosed in quotes) on second line * Object type 12 is reserved to go with this, as I have a nagging * suspicion more information may turn out to be necessary. * ******************************************************************************* SUBROUTINE LOPEN( FILENAME ) CHARACTER*132 FILENAME RETURN END SUBROUTINE LCLOSE( ) RETURN END SUBROUTINE LSETUP( PSCALE, BKGND, TITLE ) REAL PSCALE REAL BKGND(3) CHARACTER*80 TITLE COMMON /OPTIONS/ FONTSCALE, GAMMA, ZOOM, NSCHEME, SHADOWFLAG, XBG, & NAX, NAY, OTMODE, QUALITY, INVERT, LFLAG REAL FONTSCALE, GAMMA, ZOOM INTEGER NSCHEME, SHADOWFLAG, XBG INTEGER*4 NAX, NAY, OTMODE, QUALITY LOGICAL*2 INVERT, LFLAG C Might as well always handle labels? C LFLAG = .TRUE. RETURN END ******************************************************************************* SUBROUTINE LINP( INPUT, INTYPE, MATCOL, RGBMAT ) IMPLICIT NONE INTEGER I, J, LEN INTEGER INPUT, INTYPE LOGICAL MATCOL REAL RGBMAT(3) REAL AASCALE * * Input transformation COMMON /MATRICES/ XCENT, YCENT, SCALE, EYEPOS, SXCENT, SYCENT, & TMAT, TINV, TINVT, SROT, SRTINV, SRTINVT & ,RAFTER, TAFTER REAL XCENT, YCENT, SCALE, SXCENT, SYCENT * Transformation matrix, inverse of transpose, and transposed inverse REAL TMAT(4,4), TINV(4,4), TINVT(4,4) * Shortest rotation from light source to +z axis REAL SROT(4,4), SRTINV(4,4), SRTINVT(4,4) * Post-hoc transformation on top of original TMAT REAL RAFTER(4,4), TAFTER(3) EXTERNAL DET REAL DET * Distance (in +z) of viewing eye REAL EYEPOS * EXTERNAL PERSP REAL PERSP, PFAC * * Stuff for labels CHARACTER*80 FONTNAME, FONTALIGN CHARACTER*128 LABELSTRING SAVE FONTNAME SAVE LABELSTRING INTEGER MAXLABLEN PARAMETER (MAXLABLEN = 128) INTEGER IALIGN SAVE IALIGN INTEGER FONT, LABEL PARAMETER (FONT = 10, LABEL = 11) REAL XA, YA, ZA, RED, GRN, BLU REAL FONTSIZE SAVE FONTSIZE * * Keep track of actual coordinate limits COMMON /NICETIES/ TRULIM, ZLIM, FRONTCLIP, BACKCLIP, ISOLATION REAL TRULIM(3,2), ZLIM(2), FRONTCLIP, BACKCLIP INTEGER ISOLATION * * Command line options (Aug 1999) NB: nax,nay,quality MUST be integer*2 COMMON /OPTIONS/ FONTSCALE, GAMMA, ZOOM, NSCHEME, SHADOWFLAG, XBG, & NAX, NAY, OTMODE, QUALITY, INVERT, LFLAG REAL FONTSCALE, GAMMA, ZOOM INTEGER NSCHEME, SHADOWFLAG, XBG INTEGER*4 NAX, NAY, OTMODE, QUALITY LOGICAL*2 INVERT, LFLAG * * Copy of NOISE for ASSERT to see COMMON /ASSCOM/ NOISE, VERBOSE INTEGER NOISE LOGICAL VERBOSE c*****DEFAULTS: c FONTSCALE = 1.0 c c Read in next object IF (INTYPE .EQ. FONT) THEN READ (INPUT,*,END=50) FONTNAME, FONTSIZE, FONTALIGN IF (FONTALIGN(1:1).EQ.'C') THEN IALIGN=1 ELSE IF (FONTALIGN(1:1).EQ.'R') THEN IALIGN=2 ELSE IF (FONTALIGN(1:1).EQ.'O') THEN IALIGN=3 ELSE IALIGN=0 ENDIF c * TODO: The following can probably be removed c len = 0 c DO i=1,80 c if (fontname(i:i).ne.' ') len = i c enddo ELSE IF (INTYPE .EQ. LABEL ) THEN READ (INPUT,*,END=50) XA, YA, ZA, RED, GRN, BLU IF (MATCOL) THEN RED = RGBMAT(1) GRN = RGBMAT(2) BLU = RGBMAT(3) ENDIF c c Here is where Perl would shine c READ (INPUT,'(A)',END=50) LABELSTRING len = len_trim(LABELSTRING) c c Isolated objects not transformed by TMAT, but still subject to inversion. IF (ISOLATION.GT.0) THEN IF (INVERT) YA = -YA if (isolation.eq.2) then if (xcent.gt.ycent) xa = xa * xcent / ycent if (xcent.lt.ycent) ya = ya * ycent / xcent endif ELSE c modify the input, as it were IF (IALIGN.NE.3) THEN CALL TRANSF (XA,YA,ZA, TMAT) c YA = -YA ENDIF ENDIF c perspective IF (EYEPOS.GT.0) THEN PFAC = PERSP(ZA) ELSE PFAC = 1.0 ENDIF c AASCALE = 1.0 IF (NSCHEME.EQ.2) AASCALE = 0.5 IF (NSCHEME.EQ.3) AASCALE = 2./3. IF (NSCHEME.EQ.4) AASCALE = 2./3. IF (IALIGN.EQ.3) THEN XA = XA * SCALE YA = YA * SCALE ELSE IF (ISOLATION.GT.0) THEN XA = XA * SCALE + XCENT YA = YA * SCALE + YCENT ELSE c scale and translate to pixel space XA = XA * PFAC * SCALE + XCENT YA = YA * PFAC * SCALE + YCENT ZA = ZA ENDIF c allow for the antialiasing XA = XA * AASCALE YA = YA * AASCALE ZA = ZA * AASCALE c c IF (ZA * SCALE .LT. BACKCLIP .OR. ZA * SCALE .GT. FRONTCLIP) RETURN CALL CHKRGB( RED, GRN, BLU, 'invalid label color') c WRITE (0,*) 'COLOR VALUES = ', RED, GRN, BLU RED = SQRT(RED) GRN = SQRT(GRN) BLU = SQRT(BLU) c c C ============================================================================= C Ready to pass on information to libgd via local.c c CALL ADDLABEL(FONTNAME//CHAR(0), FONTSIZE, FONTSCALE, IALIGN, & XA,YA,ZA, RED,GRN,BLU, LABELSTRING//CHAR(0)) c C ============================================================================= c c 800 FORMAT(A,'-x,y,z: ',3F10.3) 801 FORMAT(A,4F10.1) ENDIF RETURN c c Error handling c 50 WRITE (NOISE,*) '>>> Unrecognized label command' RETURN END Raster3D_3.0-2/./CHANGELOG0000644000471100047110000004027411522565273014550 0ustar merrittmerritt03-Feb-2011 Package 3.0-2 (SBGRID builds) 26-Jan-2011 Joe Krahn: use AlphaBlending mode 0 when rendering labels 19-Dec-2011 Package 3.0-1 (SBGRID builds) 18-Dec-2010 make NAX,NAY integer*4 to prevent overflow during autotiling 16-Dec-2010 modify stereo3d script to use render -labels rather than label3d hardwire libraries in LDFLAGS for building static rpm read in full header before initializing output 16-Dec-2010 Joe Krahn: Add Makefile entries for osx and osx-fink Use new Fortran intrinsic LEN_TRIM Choice of four transparency algorithms 15-Dec-2010 Handle UTF-8 sub and superscripts in label processing Use OPT(2) of MATERIAL record to select transparency algorithm Add a Makefile option for "make osx" 14-Dec-2010 Revise packaging instructions in Makefile.package 14-Dec-2010 add first cut of modified render.f local.c r3dtogd.f that use libgd to produce png/jpeg output and also to handle labels 14-Dec-2010 Add dummy MODULES to normal3d.f so that the symbols are defined for qinp 04-Apr-2010 updated the version on raster3d-3.0.spec and raster3d-static-3.0.spec SPEC files 30-Mar-2010 added the raster3d-static-2.9.spec SPEC file for static builds 16-Mar-2010 Release 2.9-2 (dynamic) 12-Feb-2010 Release 2.9-1 (static) 12-Feb-2010 added escape characters for dollar sign in $(FC) in Makefile 09-Feb-2010 expandable array allocations to for MAXOBJ, MAXN*XY, etc 09-Feb-2010 created Raster3D-3.0 branch from Raster3D-2.9 26-Jan-2010 bring ribbon.f ribbon1.f into the gfortran era 22-Jan-2010 commit my current source tree to cvs repository on verdandi 22-Jan-2010 avs2ps.c: more brackets in the initializer for avail[][] local.c: add casts to quiet compiler warning 22-Dec-2009 render.f: initialize fullname character storage 03-Dec-2009 suv.f: CCuv() was failing to initialize VV(3,2) 22-Oct-2009 VERSION VERSION.incl: bump version to 2.9EAM 22-Oct-2009 rastep.f: -aniso flag to include isotropic atoms in the analysis 12-Oct-2009 suv.f: additional checks for NPD matrices 02-Sep-2009 suv.f: wrapper function CCuv rastep.f: Calculate CCuij for C-N bonds 19-Aug-2009 rastep.f slight modification to format of output from -tabulate 04-Nov-2008 rings3d.f: -ribose option 15-Aug-2008 rings3d.f: Initialize nhits array Allow for left-shifted atom labels in input PDB file 13-Mar-2008 qinp fails if compiled with gfortran and -On (n > 0) so break out qinp.f into separate file for non-optimized compilation 07-Mar-2008 Release 2.7s (band-aid release to support recent gfortran) 07-Mar-2008 render.f Makefile local.c normal3d.f quadricf parse.f rastep.f yet more initializers to make gfortran happy static structures in local.c gfortran optimization level must be -O2 or -O3 (else bad code) 25-Feb-2008 render.f Initialize NSXMAX, NSYMAX to zero 25-Feb-2008 VERSION VERSION.incl Development version on skuld versioned as 2.7s Release 2.7d 3-May-2006 rastep.f: gfortran requires initialization to zero! 12-Apr-2006 label3d: ImageMagick 6+ requires different syntax to set transparency 12-Apr-2006 r3dtops.f: gfortran requires SAVE, because it doesn't like -fno-automatic 11-Apr-2006 In example scripts, change "display -geometry" to "display -resize" 11-Apr-2006 change AND() and OR() to iand() and ior() 11-Apr-2006 rings3d.f: gfortran doesn't like iargc declared external 11-Apr-2006 avs2ps.c: additional headers (Debian patch) 11-Apr-2006 ungz.c: additional headers (Debian patch) 11-Apr-2006 local.c: additional headers (Debian patch) 15-Dec-2005 rastep.f: declare DEFCOLS as integer 15-Dec-2005 parse.f: and -> iand 15-Dec-2005 parse.f: hexadecimal syntax change 15-Dec-2005 render.f: and -> iand 15-Dec-2005 render.f: hexadecimal syntax change 15-Dec-2005 local.c: provide substitute or, and for gfortran 15-Dec-2005 Update Makefile for gfortran Release 2.7c 12-Feb-2004 rastep.f: g77 doesn't like logical test against noerr 6-Feb-2004 modify label3d and stereo3d scripts to deal with changes to recent versions of ImageMagick and ghostscript 17-Oct-2003 rastep now checks input for illegal (=0) axial Uij terms 19-Aug-2003 render -bg {white|black|#RRGGBB} set background from command line Release 2.7b 19-Jun-2003 Fix initialization of TMPNAM in normal3d.f Release 2.7a 6-May-2003 render, and all other programs, now default to PNG output. Add sun-forte Makefile option (Chandler Wilkerson ) 5-May-2003 Modify default color table in rastep so that if atom name column is one off it still works. 6-Nov-2002 Release 2.6f (mostly relevant only to RPM installation) 6-Nov-2002 Change default image format in scripts to PNG rather than TIFF Modify RPM installation script for newer ImageMagick delegates format Build RPM against newer libpng.so.3 (Mandrake 8.2/9.0 Redhat 7.3/8.0) 26-Jul-2002 Suppress error message if libtiff has no LZW compression 3-Jul-2002 Prevent coord overflow in rastep output Release 2.6e 15-May-2002 Add -gamma option to render 3-May-2002 Won-kyu Park more complete spec file for rpm Matsuura Takanori Makefile for linux-ppc 19-Apr-2002 normal3d - force EYEPOS=0 for stereo; exit(-1) on syntax error stereo3d - add -angsep and -size options; trap normal3d failure 10-Apr-2002 Tweak autotile code to be aware of antialiasing options 6-Apr-2002 NPX,NPY = 0 forces autotiling equivalent to -size NTXxNTY that lets normal3d handle -size by just passing it on to render 5-Apr-2002 Modify example scripts so they don't need write access to 'pwd' 19-Feb-2002 Fix complicated bug involving non-transparent bounded surfaces 15-Feb-2002 rewrite label3d and stereo3d as /bin/sh scripts syntax now matches render; scratch files in $TMPDIR (or /tmp) normal3d modified to go with new stereo3d: [-stereo [scratchname]] [-angle AA] 14-Feb-2002 Release 2.6d (local release only) 2-Feb-2002 rework S(u,v) code in rastep -> 30x speed increase! 16-Jan-2002 #define random rand for WIN32 in avs2ps.c (Suhaib Siddiqi) 14-Dec-2001 Trap, report, and forgive garbage starting input line to render 13-Oct-2001 Add more possible locations of ImageMagick delegates file to RPM 11-Oct-2001 Add -zoom to render html documentation 5-Oct-2001 Add info about PNG library to installation instructions 11-Sep-2001 Release 2.6c 29-Aug-2001 Add rings3d to Makefile and rpm package list 7-Aug-2001 Check for errors in outfile specification before proceeding 31-Jul-2001 Add support for PNG output -png and -jpeg default to stdout but allow explicit filename fix local.c bug in code for timing calls 30-Jul-2001 fix glitch in processing interleaved MOPT1 transparent objs 10-Jul-2001 Modify Makefile to work around Irix make inadequacies 9-Jul-2001 Release 2.6b 8-Jul-2001 Start checkout tests for version 2.6b 8-Jul-2001 Add control info to build rpm package under Mandrake 8.0 rpm version is compiled with "pgf77 -O -Munroll -tp px" 6-Jul-2001 Clean up some code in rastep.f that pgf77 didn't like 14-Jun-2001 Rearrange /OPTIONS/ and kludge backslash processing in r3dtops.f to make f90 compiler happy on Tru 64 unix. Revise label3d to be compatible with ImageMagick 5.3.2: process is now ps -> png -> transparent -> combine/composite 7-May-2001 Allow GPROP option TRANSLATION to appear on single line Pay attention to -DNETWORKBYTEORDER in avs2ps.c code 10-Apr-2001 rastep modified to offer new ORTEP_LIKE BOUNDING_PLANES 9-Apr-2001 A big oops - BACKCLIP wasn't initialized in normal3d.f 6-Apr-2001 Remove explicit REAL*4 from all programs Increase input line buffer to 132 chars from 80 chars 16-Mar-2001 Construct Makefile shared by all(?) platforms have -Bcolor option to rods produce shaded bonds check all READ statements for ERR= handling add -zoom flag to render 4-Mar-2001 break out array size PARAMETERS into parameters.incl 27-Feb-2001 catch illegal size flag cleanly in parse.f 26-Feb-2001 Finish adding RAFTER/TAFTER/ISOLATE support to normal3d start alpha test (2.6a) of BOUNDING_PLANE support ORTEP_LIKE option is still pretty hokey, but the rest works 21-Feb-2001 Begin addition of BOUNDING_PLANE support 15-Feb-2001 Add -shadow -noshadow flags to parse.f Write full program name + version in TIFF and JPEG output 17-Jan-2001 Change output format 211 for bonds in rastep.f ... since V2.5f ... 15-Nov-2000 V2.5f release 13-Nov-2000 Fixed similar error in RAFTER applied to surface normals 27-Oct-2000 Fixed error in ISOLATION of surface normals 12-Oct-2000 F10.5 -> F10.4 in normal3d.f output formats 10-Oct-2000 if -size is specified, force scheme 3 into scheme 4 instead 2-Oct-2000 Added Suv() code to rastep 21-Sep-2000 fixed clipping error for quadrics, and another for objs 7, 17, 18 clean up interaction of Z-clipping and FOG 20-Sep-2000 render now discards BACKCLIPped objects on input V2.5e release (internal only) 9-Sep-2000 tweak r3dtops.f workaround for ImageMagick auto-matte bug 5-Sep-2000 ungz.c uncompresses input files to render and normal3d; deletion of temporary files requires OPEN(DISPOSE='DELETE',...) which unfortunately isn't supported in g77 or xlf 5-Aug-2000 rastep now applies Bcolor option to bonds as well as atoms 1-Jun-2000 V2.5d release 1-Jun-2000 Include msms -> Raster3D filters in distribution 25-Mar-2000 Revise auto-tiling to avoid tiles smaller than 6 pixels Additional checks for shadow tile out of bounds If requesting tiling is not possible, try auto-tiling Add timing commands to local.c 11-Mar-2000 Honor MATERIAL colors during label processing 24-Feb-2000 regularize code for storing/retrieving material index in FLAG 8-Feb-2000 Add CLROPT = 2 option to transparency rendering Add object type VERTRANSP (per-vertex transparency) 10-Mar-2000 V2.5c (minor bugfixes) local.c picks up version from VERSION include file Fortran files pick up version from VERSION.incl forgive IPHONG entered as floating point Add '.r3d' to indirect file names if initial open fails Add TeX-like syntax options to r3dtops label processing 1-Feb-2000 V2.5b general release 15-Dec-99 Oops. all-zero input line is legal for LABELs 11-Nov-99 V2.5alpha Fold r3dtops label-processing code into render itself. Add command line parsing (parse.f) to render, so that image size, anti-aliasing scheme, and label-handling can all be specified externally. Modify label3d and stereo3d scripts to expect render to handle labels, and to use sed rather than awk/nawk. Remove (finally!) (Q) formats from ribbon1.f 9-Sep-99 correct bug introduced in V2.4j of rastep (-Bcol coloring varies with value of -prob) 26-Aug-99 V2.4m of rastep writes auto-orientation matrix as a post-hoc rotation to render, requires render version at least 2.4l for compatibility 28-Jul-99 (rastep,rods) don't draw bonds across alternate conformations 12-Jul-99 rastep 2.4l fixes bug in reporting mean B_iso 28-Jun-99 modify rastep to color by anisotropy, also to deal gracefully with 4-digit residues + chainid 14-Jun-99 fix bug (lack of sqrt) in rastep -iso processing add -bradius option to rods 18-May-99 V2.4j Re-worked label processing; new versions of r3dtops/label3d Sample code r3d_label.c illustrating use of GLUT stroke font. Allow explicit vertex colors (object type 17) for cylinders 8-Feb-99 Allow file indirection for [complete set of] header records and ignore leading comments Re-work local.c to support -jpeg JPEG output to stdout -out file.xxx output piped to ImageMagick for conversion Modify all Makefile versions accordingly, and make DIMAGEPIPE and DJPEG_SUPPORT the default 8-Dec-98 V2.4h minor bug fix in render.f for overlapping cylinders 15-Oct-98 V2.4g Improved rendering of transparent cylinders GLOBAL property object type 16 (FOG for example) Forgive blank lines at end of indirect files Environmental variable R3D_LIB used as search path during file indirection Preliminary groundwork in code for Z-clipping Modified Makefiles to reduce number of compiler warnings PARVATI's rastep version included with Raster3D 16-Aug-98 fixed format bug in normal3d MATERIAL handling 7-May-98 V2.4f new ungrasp.f, fix crash if shadows + VERTEXRGB 29-Apr-98 V2.4e Bug fix to TIFF output (blue channel was shifted by 1 pixel) 18-Mar-98 V2.4d limit maximum distortion due to perspective, update ungrasp, mark resolution in TIFF images as 300dpi 6-Feb-98 V2.4c Fix bug in check against bounding sphere of quadrics 1-Jan-98 V2.4b 23-Dec-97 Verify installation under DU4.0, Redhat4.2, Irix5.3, Irix6.4 add patch to work around I/O glitch in AIX 26-Nov-97 Add object type 17 (VERTEXRGB) and subroutine CHKRGB Allow # to denote comments in input stream to render 21-Oct-97 Fix bug preventing normal3d from handling CYLFLAT objects 15-Oct-97 Oops, forgot to remove the -alpha flag to enable ISCHEME=0 22-Sep-97 Fix major bug in BACKFACE flag set condition 15-Sep-97 in local.c: change TIFFTAG_ROWSPERSTRIP to be same as ysize 15-Sep-97 default to anti-aliasing scheme 4 in balls, ribbon, rods 11-Sep-97 default colors and -Bcolor option added to rods 4-Sep-97 Fix normals of flat cylinder ends (thanks to Takaaki Fukami) 13-Aug-97 To please stupid Fortran compilers, including f2c, remove READONLY from OPEN statements 2-Jul-97 New object type for quadric surfaces, and rastep utility to generate ellipsoids from ANISOU records in PDB file. Also new object type NOTRANS to render subsequent objects independently from TMAT in header. 4-Aug-97 V2.3d ribbon option -d6 to use COLOUR templates for ribbon color include a copy of local_jpeg.c in distribution update the README instructions for patching Molscript 28-Jul-97 Square the colors in ungrasp (suggested by Albert Berghuis). 17-Jun-97 "stereo3d -" will accept input from stdin 13-May-97 Add BACKFACE material property, reduce amount of default diagnostic output (still available via render -debugging), EYEPOS = 0 to disable perspective in rendering 8-May-97 correct order of scheme=4 testing in normal3d.f 7-May-97 V2.3c remove DATA statements to make Sun compiler happy 5-May-97 Multiple glow lights, corrections to label placement glow lights and labels now handled by normal3d example file for labels make cyl1 a function (remove coordinate/scale dependence) 19-Apr-97 Tidy things up for beta release V2.3b 8-Mar-97 Object type 13 = glow light source 6-Mar-97 Large tiles + many objects could give shadowing errors Increase SLOP parameter, and make it scale with tile size 25-Feb-97 -radius option for rods additional MATERIAL records signaled by OPT(4) > 0 stereo3d script 27-Jan-97 trap end-on cylinders to prevent divide by zero Accept (but ignore) label object types 10 and 11 in render. New utility labels3d that processes labels in render input file 22-Nov-96 per-tile transparency count (faster), also temp variable for kstart(itile,jtile) (1.5% faster - not bad for single line) 15-Nov-96 SCHEME=0 writes alpha channel to output image 10-Oct-96 Trap and forgive shadowing error if NSX or NSY too small 19-Aug-96 Revised set of patches to Molscript. Not yet quite stable. 6-Jun-96 Change default to no HIDDEN triangles, fix minor bug in normals 3-May-96 File indirection added to render.f 9-Feb-96 add utility programs normal3d and ungrasp 8-Feb-96 V2.2beta has support for transparent materials 1-Feb-96 Fix major problems with explicit surface normals 22-Jan-96 Makefile for Irix 6.1, added utility normal3d, OSF compile option -fast, bug fix in CYL1 to avoid divide by 0 3-Aug-95 V2.11 adds TIFF_INVERT workaround to local.c 30-Jun-95 Version 2.1 release via ftp and www 28-Apr-95 object types 7/8/9 folded back into regular distribution (V2.1) Rename setup to balls; change references everywhere HTML version of documentation 13-Apr-95 remove unused code from modsubs.f which made solaris unhappy 01-Mar-95 V2.03 onto ftp site 24-Feb-95 Fix bug in CYL1 routine which caused pieces of cylinder ends to disappear if they tipped too far toward the viewer 20-Jan-95 Move data statements in ribbon1.f, render.f to make linux happy 29-Nov-94 update ftp site to release V2.02 28-Nov-94 add Elya Kurktchi's Makefile for SUNOS 28-Nov-94 add section on Moslcript->Raster3D stereo to docs.ps 16-Nov-94 update ftp site to release V2.01 5-Aug-94 add filter utility avs2ps for producing B&W PostScript output 4-Aug-94 include patch to Molscript V1.4 to support dotted lines 21-Jul-94 bugfix to input code for PLANE objects, add hints section to manual 22-Apr-94 Version 2.0 release Raster3D_3.0-2/./ribbon1.f0000664000471100047110000004357311327710240015035 0ustar merrittmerritt * PROGRAM RIBBON * * Program to set up input for RENDER (RASTER3D package) * to draw ribbon diagram. The RIBBON routine itself is simply * extracted from CCP FRODO. The original invoked a bspline feature * of the ps300; I have replaced this with a spline equation gotten * from Larry Andrews. Conversion from ribbon edges to solid rendering * is my own hacking. * Ethan Merritt - 8-Nov-1988 * Slightly modified code to guarantee output of triangles with * vertices in correct order for triangular mesh algorithms EAM Sep 90 * * Usage: ribbon [-h] [-dn] pdbfile > setup.r3d * ribbon [-h] -dn - to take pdb records from stdin * * Input: pdbfile * Brookhaven PDB-format file of atomic co-ordinates * only C-alpha and O atoms are needed * setup.matrix or setup.angles * rotation matrix or angles applied to PDB coords * (see writeup for SETUP/RENDER). * Output: stdout (new for DS5000 version) * file suitable for input to RENDER * * Interactive parameters: * WIDTH of ribbon in Angstroms * NUMBER of interpolated coordinates between successive C-alphas. * COLOR scheme for ribbon * 0 or 1: solid color (RGB values from color1 below) * 2: shade from color1 at 1st res to color2 at last res * 3: front of ribbon is color1, back of ribbon is color2 * 4: shade front as in scheme 2, back is color 3 * 5: each chain is new color (from successive input * (COLOR cards at start of input file) * 6: use prefixed COLOR cards (as in SETUP/RENDER) * (implemented 4-Aug-1997 EAM) * COLOR1,COLOR2,COLOR3 RGB components (9f8.0) * INCLUDE 'VERSION.incl' c INTEGER INPUT, OUTPUT, NOISE PARAMETER (OUTPUT=6, NOISE=0) PARAMETER (MAXCOL=5000, MAXATM=10000) C REAL RGB(3,MAXCOL) REAL RADIUS(MAXCOL) REAL RAD CHARACTER*24 MASK(MAXCOL),TEST CHARACTER*80 ATOM(MAXATM),CARD LOGICAL SMATCH c C Ethan Merritt Oct 1988 C Modified to read in 3x3 view matrix (e.g. from CCP FRODO view command) C from file. Matrix is applied before C finding translation, center, and scale. Afterwards the input matrix C to RENDER is therefore the identity matrix. C EAM Aug 1997 - Honor COLOUR requests C EAM Nov 1999 - remove all (q) formats C EAM Jan 2010 - declare and initialize RAD C c common /COLORS/ ischeme, cindex, COLOR1(3), COLOR2(3), COLOR3(3) & ,RGB(3,MAXCOL) integer cindex common /SPAM/ natm, SPAM(4,MAXATM), SCAM(MAXATM) integer SCAM common /FLAGS/ mflag, hflag, dflag logical mflag, hflag, dflag c character*64 in_file character*32 flags character*80 line common /matrix/ matrix, coords real matrix(3,3), coords(3) data matrix / 1.,0.,0.,0.,1.,0.,0.,0.,1. / c c -h causes the header records not to be printed c -m [now obsolete because always in force] uses format c mixed object types in output file c -d suppresses interactive input c hflag = .FALSE. dflag = .FALSE. mflag = .TRUE. c narg = iargc() do i = 1,narg call getarg( i, flags ) if (flags(1:2) .eq. '-h') then hflag = .TRUE. else if (flags(1:2) .eq. '-d') then dflag = .TRUE. read (flags(3:4),'(I1)') ischeme end if end do c call getarg( narg, in_file ) if (in_file(1:1) .eq. '-') then INPUT = 5 else INPUT = 1 open( unit=INPUT, file=in_file, status='OLD' ) end if c 3 format(a,a) c call view_matrix c NCOL = 0 NATM = 0 ASPECT = 1280./1024. c if (hflag) goto 10 c WRITE(OUTPUT,'(A,A)') 'C-alpha ribbon - Raster3D ',VERSION WRITE(OUTPUT,'(A)') '80 64 tiles in x,y' WRITE(OUTPUT,'(A)') ' 8 8 pixels (x,y) per tile' WRITE(OUTPUT,'(A)') '4 anti-aliasing 3x3 into 2x2 pixels' WRITE(OUTPUT,'(A)') '0 0 0 black background' WRITE(OUTPUT,'(A)') 'F no, ribbons cast funny shadows' WRITE(OUTPUT,'(A)') '25 Phong power' WRITE(OUTPUT,'(A)') '0.15 secondary light contribution' WRITE(OUTPUT,'(A)') '0.05 ambient light contribution' WRITE(OUTPUT,'(A)') '0.25 specular reflection component' WRITE(OUTPUT,'(A)') '4.0 eye position' WRITE(OUTPUT,'(A)') '1 1 1 main light source position' c 10 CONTINUE READ(INPUT,'(A80)',END=50) CARD IF (CARD(1:4).EQ.'COLO') THEN NCOL = NCOL + 1 IF (NCOL.GT.MAXCOL) THEN WRITE(NOISE,*) 'Colour table overflow. Increase ', & 'MAXCOL and recompile.' STOP 10 ENDIF READ(CARD,'(6X,A24,3F8.3,F6.2)') MASK(NCOL), & (RGB(I,NCOL),I=1,3),RADIUS(NCOL) ELSEIF ((CARD(1:4).EQ.'ATOM') .AND. & ( CARD(14:16).EQ.'CA ' .OR. CARD(14:16).EQ.'O ')) THEN NATM = NATM + 1 IF (NATM.GT.MAXATM) THEN WRITE(NOISE,*) 'Atom array overflow. Increase ', & 'MAXATM and recompile.' STOP 20 ENDIF ATOM(NATM) = CARD ELSEIF (CARD(1:3).EQ.'END') THEN GO TO 50 ENDIF GO TO 10 * Come here when EOF or 'END' record is reached 50 CONTINUE IF (NATM.EQ.0) THEN WRITE(NOISE,*) 'No atoms in input.' STOP 30 ELSE WRITE(NOISE,*) NATM,' atoms accepted from input.' ENDIF IF (NCOL.EQ.0) THEN WRITE(NOISE,*) 'No colours in input.' c STOP 40 ENDIF C XMAX = -1E20 XMIN = 1E20 YMAX = -1E20 YMIN = 1E20 ZMAX = -1E20 ZMIN = 1E20 RAD = 1.7 DO 100 IATM=1,NATM CARD = ATOM(IATM) TEST = CARD(7:30) READ(CARD,82) coords 82 format(30x,3f8.3) x = coords(1)*matrix(1,1) + coords(2)*matrix(2,1) 1 + coords(3)*matrix(3,1) y = coords(1)*matrix(1,2) + coords(2)*matrix(2,2) 1 + coords(3)*matrix(3,2) z = coords(1)*matrix(1,3) + coords(2)*matrix(2,3) 1 + coords(3)*matrix(3,3) SPAM(1,IATM) = X SPAM(2,IATM) = Y SPAM(3,IATM) = Z c SPAM(4,IATM) = RAD C C EAM Aug 1997 - finally get around to honoring atom colors DO 84 ICOL = 1, NCOL IF (SMATCH(TEST,MASK(ICOL))) THEN SCAM(IATM) = ICOL RAD = RADIUS(ICOL) SPAM(4,IATM) = RAD GOTO 86 ENDIF 84 CONTINUE 86 CONTINUE C XMAX = MAX(XMAX,X+RAD) XMIN = MIN(XMIN,X-RAD) YMAX = MAX(YMAX,Y+RAD) YMIN = MIN(YMIN,Y-RAD) ZMAX = MAX(ZMAX,Z+RAD) ZMIN = MIN(ZMIN,Z-RAD) 100 CONTINUE XMID = (XMAX+XMIN)/2. YMID = (YMAX+YMIN)/2. ZMID = (ZMAX+ZMIN)/2. TX = -XMID TY = -YMID TZ = -ZMID IF (ASPECT.GE.1.) THEN * The X direction is wider than the Y XROOM = ASPECT YROOM = 1. ZROOM = 2. ELSE XROOM = 1. YROOM = ASPECT ZROOM = 2. ENDIF XSPAN = XMAX-XMIN YSPAN = YMAX-YMIN ZSPAN = ZMAX-ZMIN SCALE = MAX(XSPAN/XROOM,YSPAN/YROOM,ZSPAN/ZROOM) * Leave a little extra room as a border: SCALE = SCALE / 0.90 if (hflag) goto 129 WRITE(OUTPUT,120) TX,TY,TZ,SCALE 120 FORMAT('1 0 0 0 input co-ordinate + radius transformation'/ & '0 1 0 0'/ & '0 0 1 0'/ & 4F10.3) if (mflag) then WRITE (OUTPUT,'(A)') '3 mixed object types' WRITE (OUTPUT,'(A)') '(9F8.3,2x,3f5.2)' WRITE (OUTPUT,'(A)') '(11F8.3)' WRITE (OUTPUT,'(A)') '(11F8.3)' else WRITE (OUTPUT,'(A)') '1 all objects are triangles' WRITE (OUTPUT,'(A)') '(9F8.3,2x,3f5.2)' end if 129 continue write (noise,'(/)') write (noise,153) 'X min max:', XMIN, XMAX write (noise,153) 'Y min max:', YMIN, YMAX write (noise,153) 'Z min max:', ZMIN, ZMAX write (noise,153) ' scale:', SCALE 153 format(1x,a,3f8.2) c c if (dflag) then width = 1.5 offset = 1.2 nchord = 5 if (ischeme .le. 0 .or. ischeme .gt. 6) ischeme = 2 call vload( color1, 0.0, 0.0, 0.4 ) call vload( color2, 0.5, 0.0, 0.0 ) call vload( color3, 0.6, 0.6, 0.6 ) else width = 0 write (noise,3) 'Width of ribbon (default 1.5A): ' read (5,'(A80)') line read (line,*,end=154,err=154) width 154 continue if (width.le.0) width = 1.5 c Original RIBBON used bspline smoothing, which requires "offset" c because smoothed curve doesn't go through guide points. write (noise,3) 'Offset from CA position (default 1.2A): ' read (5,'(A80)') line read (line,*,end=156,err=156) offset 156 continue if (offset.le.0) offset = 1.2 write (noise,3) 'Chords per residue (default = 10): ' read (5,'(A80)') line read (line,*,end=158,err=158) nchord 158 continue if (nchord.le.1) nchord = 10 write (noise,160) 160 format(' Coloring schemes available:', 1 /,' 0 or 1: solid color (RGB values from color1 below)', 2 /,' 2: shade from color1 at 1st res to color2 at last res', 3 /,' 3: front of ribbon is color1, back of ribbon is color2', 4 /,' 4: shade front as in scheme 2, back is color 3', 5 /,' 5: new color for each chain (requires COLOUR cards)') write (noise,3) 'Coloring scheme: ' read (5,'(A80)') line read (line,*,end=161,err=161) ischeme 161 continue if (ischeme.le.0 .or. ischeme.gt.6) ischeme = 1 if (ischeme .eq. 1) write (noise,3) 1 'COLOR1 (RGB values, 3f8.0): ' if (ischeme .eq. 2) write (noise,3) 1 'COLOR1, COLOR2 (RGB values, 6f8.0): ' if (ischeme .eq. 3) write (noise,3) 1 'COLOR1, COLOR2 (RGB values, 6f8.0): ' if (ischeme .eq. 4) write (noise,3) 1 'COLOR1, COLOR2, COLOR3 (RGB values, 9f8.0): ' if (ischeme .lt. 5) then read (5,'(A80)') line if (line.eq.' ') goto 163 read (line,*,end=163,err=163) color1,color2,color3 endif goto 164 163 continue call vload( color1, 0.0, 0.0, 0.4 ) call vload( color2, 0.5, 0.0, 0.0 ) call vload( color3, 0.6, 0.6, 0.6 ) 164 continue if (ischeme .eq. 3) then color3(1) = color2(1) color3(2) = color2(2) color3(3) = color2(3) end if c end of -d suppression end if write (noise,169) ischeme,color1,color2,color3 169 format(' color scheme',i3,/,3(3x,3f6.3)) cindex = 1 c call ribbon( 2, width, nchord, offset, natm ) c END LOGICAL FUNCTION SMATCH (SUBJ, MASK) CHARACTER*24 SUBJ,MASK SMATCH = .FALSE. DO 10 I = 1, 24 IF (SUBJ(I:I).NE.MASK(I:I) .AND. MASK(I:I).NE.'#') RETURN 10 CONTINUE SMATCH = .TRUE. RETURN END subroutine view_matrix c common /matrix/ matrix, coords real matrix(3,3), coords(3) c real phiX, phiY, phiZ parameter (noise = 0) parameter (R2D = 180./3.1415927) open (unit=3, file='setup.matrix', status='OLD', err=100) write (noise,3) ' View Matrix from file ' read (3,*) ((matrix(i,j),i=1,3),j=1,3) write (noise,'(1x,3f9.5)') ((matrix(i,j),i=1,3),j=1,3) close (3) det = matrix(1,1) * matrix(2,2) * matrix(3,3) 1 + matrix(1,2) * matrix(2,3) * matrix(3,1) 2 + matrix(2,1) * matrix(3,2) * matrix(1,3) 3 - matrix(1,3) * matrix(2,2) * matrix(3,1) 4 - matrix(1,2) * matrix(2,1) * matrix(3,3) 5 - matrix(1,1) * matrix(2,3) * matrix(3,2) write (noise,'('' determinant ='',f8.3)') det phiX = atan2( -matrix(3,2), matrix(3,3) ) phiY = atan2( matrix(3,1), matrix(3,3) / cos(phiX) ) phiZ = atan2( -matrix(2,1), matrix(1,1) ) write (noise,3) ' View Angles from matrix',' ' write (noise,2) phiZ*R2D, phiY*R2D, phiX*R2D return 100 continue open (unit=3, file='setup.angles', status='OLD', err=200) write (noise,3) ' View Angles from file ' read (3,*) phiZ, phiY, phiX close (3) write (noise,2) phiZ, phiY, phiX cx = cos(phiX/R2D) sx = sin(phiX/R2D) cy = cos(phiY/R2D) sy = sin(phiY/R2D) cz = cos(phiZ/R2D) sz = sin(phiZ/R2D) matrix(1,1) = cz*cy matrix(1,2) = sz*cx + cz*sy*sx matrix(1,3) = sz*sx - cz*sy*cx matrix(2,1) = -sz*cy matrix(2,2) = cz*cx - sx*sy*sz matrix(2,3) = cz*sx + sz*sy*cx matrix(3,1) = sy matrix(3,2) = -sx*cy matrix(3,3) = cx*cy write (noise,3) ' View Matrix from angles',' ' write (noise,'(1x,3f9.5)') ((matrix(i,j),i=1,3),j=1,3) return 200 continue 2 format(1x,' phiZ =',f8.2,' phiY =',f8.2,' phiX =',f8.2) 3 format(/a,a) write (noise,*) ' No view matrix or angles provided' return end C SUBROUTINE RIBDRW(GUIDE,NRIB,MAXRES,NPT,NCHORD) integer npt ! number of guide points real guide(4,MAXRES,NRIB) ! 4 dim because E&S wanted it that way integer nchord ! how many interpolations per guide pt parameter (MAXCOL = 5000) integer OUTPUT parameter (OUTPUT = 6) C C splining from Larry Andrews 7-Nov-1988 C parameter (nspln = 5000) ! maximum of (npt*nchord) parameter (ndata = 500) ! maximum # guidepoints parameter (ndata1 = 501) c common /COLORS/ ischeme, cindex, COLOR1(3), COLOR2(3), COLOR3(3) & ,RGB(3,MAXCOL) integer cindex common /FLAGS/ mflag, hflag, dflag logical mflag, hflag, dflag c c real s(ndata1) c REAL XP(4,NDATA) real smooth(4,nspln,2) ! npt*nchord points on splined curve real color(3) c if (npt .gt. ndata) stop 'spline - TOO MANY GUIDE POINTS' if (npt*nchord .gt. nspln) stop 'spline - NPT*NCHORD > 5000' c c fill 4th coord with fraction of chain traced c color_inc = 1.000 / float(npt) fraction = 0.0 if (ischeme.le.5) then do i = 1, npt guide(4,i,1) = fraction guide(4,i,2) = fraction fraction = fraction + color_inc end do endif c c calculate spline segments c tinc = 1./float(nchord) do 1000 irib = 1, 2 iout = 1 do 900 ipt = 2, npt-1 t = 0.0 do i = 1, nchord iout = iout + 1 call bspline( guide(1,ipt-1,irib), guide(1,ipt,irib), 1 guide(1,ipt+1,irib), t, smooth(1,iout,irib) ) t = t + tinc end do 900 continue 1000 continue c c Add end segments (splines go midpoint-to-midpoint) c iout = iout + 1 do 1100 irib = 1, 2 do i = 1, 4 smooth(i, 1, irib) = guide(i, 1, irib ) smooth(i, iout, irib) = guide(i, npt, irib ) end do 1100 continue C 2 format(9f8.3,2x,3f5.2) 3 format('1',/,9f8.3,2x,3f5.2) c c Start loop over spline segments c ires = 1 jres = 1 kres = 2 2000 continue c do 2100 ires = 1, iout-1 fraction = smooth(4,ires, 1) c c Make sure the two sides of the ribbon stay in register c inext = ires + 1 55 dist0 = dist(smooth(1,inext,1),smooth(1,kres,2)) dist1 = dist(smooth(1,inext,1),smooth(1,kres+1,2)) if ((dist1 .lt. dist0) .and. (kres .lt. iout)) then kres = kres + 1 goto 55 end if 56 dist0 = dist(smooth(1,inext,1),smooth(1,kres,2)) dist1 = dist(smooth(1,inext+1,1),smooth(1,kres,2)) if ((dist1 .lt. dist0) .and. (inext .lt. iout)) then inext = inext + 1 goto 56 end if c call colorit( color, fraction, 1 smooth(1,ires,1), smooth(1,jres,2), smooth(1,inext,1)) c if (mflag) then write (output,3) (smooth(i,ires, 1),i=1,3), 1 (smooth(i,jres, 2),i=1,3), 2 (smooth(i,inext,1),i=1,3), 3 color else write (output,2) (smooth(i,ires, 1),i=1,3), 1 (smooth(i,jres, 2),i=1,3), 2 (smooth(i,inext,1),i=1,3), 3 color endif c if (jres .eq. kres) goto 2100 call colorit( color, fraction, 1 smooth(1,kres,2), smooth(1,inext,1), smooth(1,jres,2)) if (mflag) then write (output,3) (smooth(i,jres, 2),i=1,3), 1 (smooth(i,inext,1),i=1,3), 2 (smooth(i,kres, 2),i=1,3), 3 color else write (output,2) (smooth(i,jres, 2),i=1,3), 1 (smooth(i,inext,1),i=1,3), 2 (smooth(i,kres, 2),i=1,3), 3 color end if jres = kres if (kres .lt. iout) kres = kres + 1 2100 continue ires = inext if (ires .lt. iout) goto 2000 c c End loop over spline segments c cindex = cindex + 1 return end function dist(v1, v2) real diff(3) call vdif(diff,v1,v2) dist = dot(diff,diff) return end subroutine vload( v, s1, s2, s3 ) real v(3) v(1) = s1 v(2) = s2 v(3) = s3 return end subroutine colorit( color, fraction, point1, point2, point3 ) real color(3), point1(3), point2(3), point3(3) c c scheme 1 solid color (COLOR1) c scheme 2 shade from COLOR1 at 1st residue to COLOR2 at last c scheme 3 COLOR1 on front, COLOR3 (=COLOR2) on back c scheme 4 combination of 2 and 3 above c scheme 5 color each new chain a new color from RGB c PARAMETER (MAXCOL=5000, MAXATM=10000) common /COLORS/ ischeme, cindex, COLOR1(3), COLOR2(3), COLOR3(3) & ,RGB(3,MAXCOL) integer cindex common /SPAM/ NATM, SPAM(4,MAXATM), SCAM(MAXATM) integer SCAM real vec1(3), vec2(3), vec3(3) c if ((ischeme .eq. 3) .or. (ischeme .eq. 4)) then call vdif( vec1, point2, point1 ) call vdif( vec2, point3, point1 ) call cross( vec1, vec2, vec3 ) if (vec3(3) .lt. 0) then color(1) = color3(1) color(2) = color3(2) color(3) = color3(3) else if (ischeme .eq. 4) then color(1) = fraction*color2(1) & + (1.-fraction)*color1(1) color(2) = fraction*color2(2) & + (1.-fraction)*color1(2) color(3) = fraction*color2(3) & + (1.-fraction)*color1(3) else color(1) = color1(1) color(2) = color1(2) color(3) = color1(3) end if else if (ischeme .eq. 2) then color(1) = fraction*color2(1) + (1.-fraction)*color1(1) color(2) = fraction*color2(2) + (1.-fraction)*color1(2) color(3) = fraction*color2(3) + (1.-fraction)*color1(3) else if (ischeme .eq. 5) then call vload( color, & RGB(1,cindex), RGB(2,cindex), RGB(3,cindex)) c else if (ischeme .eq. 6) then c ICOL = SCAM(fraction) c color(1) = RGB(1,icol) c color(2) = RGB(2,icol) c color(3) = RGB(3,icol) else call vload( color, color1(1), color1(2), color1(3) ) end if return end subroutine bspline( v1, v2, v3, t, v4 ) real v1(4), v2(4), v3(4) real t real v4(4) c frac3 = 0.5 * t*t frac1 = 0.5 * (1.-t) * (1.-t) frac2 = 1. - (frac1 + frac3) do i = 1, 4 v4(i) = frac1 * v1(i) + frac2 * v2(i) + frac3 * v3(i) end do return end Raster3D_3.0-2/./NOTES0000644000471100047110000000177511503460175014146 0ustar merrittmerrittDecember 2010 ============= Only light testing cross-platform I plan to strip down the Makefile to the bare minimum Still some compiler warnings to deal with Labels - render doesn't load IDET(LABEL); why not? Is it keeping label details in the sorted lists? - If we were to store the label Z coord in the alpha slot of the pixels array (not enough precision, probably needs a separate array) then graph pixels could be drawn directly into the label image but only if the Z coord of the graph pixel is greater than that of the label. - I think that would work except that you couldn't see labels through a transparent object V3.0 seems to be 20% slower than V2.9 Static build automation is a mess. I've hardwired LDFLAGS that allow it to work on Mandriva 10.1 Current procedure to build the static version is: copy raster3d-shared-3.0-0.spec to raster3d-3.0-0.spec edit Makefile.package to have the correct target architecture make rpm rename the resulting rpms to contain "-static-" Raster3D_3.0-2/./raster3d-static-3.0.spec0000644000471100047110000001464211522567376017532 0ustar merrittmerrittSummary: Raster3D photorealistic molecular graphics package Name: Raster3D Version: 3.0 Release: 2 %define r3dver %{name}_%{version}-%{release} License: Source freely available, redistribution restricted Source: http://www.bmsc.washington.edu/raster3d/%{name}_%{version}-%{release}.tar.gz URL: http://www.bmsc.washington.edu/raster3d Packager: Ethan A Merritt Group: Graphics BuildRoot:%{_tmppath}/%{name}-%{version}-buildroot BuildRequires: libgd-devel libtiff-devel # # You may or may not want the following definitions %define _prefix /usr/local %define _bindir %{_prefix}/bin %define _mandir %{_prefix}/man %define _datadir %{_prefix}/share %description The Raster3D molecular graphics package consists of a core rendering program and a number of ancillary programs that produce input files for rendering from PDB (Protein Data Bank) files of atomic coordinates. Raster3D can also render images composed using other programs such as Molscript or XtalView. Raster3D uses a fast Z-buffer algorithm to produce high quality pixel images featuring one shadowing light source, additional non-shadowing light sources, specular highlighting, transparency, and Phong shaded surfaces. Output is to a pixel image with 24 bits of color information per pixel. Raster3D does not depend on graphics hardware. This version is statically linked. Program reference and requested citation: Merritt & Bacon (1997) Meth. Enzymol. 277, 505-524. %prep %setup -q -n %{r3dver} %build make clean if [ -x $PGI/linux86/bin/pgf77 ]; then make linux-pgf77 make all FFLAGS='-O -Munroll -tp px' PLIBS='/usr/lib/libpng.a' elif [ -x /usr/bin/gfortran ]; then make linux make all LDFLAGS="-static -lpthread -lfontconfig -lxml2 -lpng -lfreetype -ljbig -ljpeg -lz" \ FFLAGS="-g -O3 -ffixed-line-length-132 -Wtabs -fno-range-check" CFLAGS="-Dgfortran $RPM_OPT_FLAGS" else make linux make all FFLAGS="$RPM_OPT_FLAGS" CFLAGS="$RPM_OPT_FLAGS" fi # Changing R3D_LIB grep -v R3D_LIB Raster3D.csh > Raster3D.csh.$$ echo "setenv R3D_LIB %{_datadir}/Raster3D/materials" >> Raster3D.csh.$$ mv Raster3D.csh.$$ Raster3D.csh grep -v R3D_LIB Raster3D.sh > Raster3D.sh.$$ echo "export R3D_LIB=%{_datadir}/Raster3D/materials" >> Raster3D.sh.$$ mv Raster3D.sh.$$ Raster3D.sh %install rm -rf $RPM_BUILD_ROOT mkdir -p $RPM_BUILD_ROOT%{_datadir} mkdir -p $RPM_BUILD_ROOT%{_mandir} mkdir -p $RPM_BUILD_ROOT%{_bindir} make install prefix=$RPM_BUILD_ROOT%{_prefix} \ datadir=$RPM_BUILD_ROOT%{_datadir}/Raster3D/materials \ mandir=$RPM_BUILD_ROOT%{_mandir}/manl mkdir -p $RPM_BUILD_ROOT/%{_sysconfdir}/profile.d install -m755 Raster3D.{csh,sh} $RPM_BUILD_ROOT/%{_sysconfdir}/profile.d/ %clean rm -rf $RPM_BUILD_ROOT %files %defattr (-,root,root) %doc README CHANGELOG BUGS doc/R3D_manual.pdf VERSION %{_bindir}/avs2ps %{_bindir}/balls %{_bindir}/worms %{_bindir}/rastep %{_bindir}/render %{_bindir}/ribbon %{_bindir}/rings3d %{_bindir}/rods %{_bindir}/normal3d %{_bindir}/stereo3d %{_mandir}/manl/avs2ps.l %{_mandir}/manl/balls.l %{_mandir}/manl/label3d.l %{_mandir}/manl/normal3d.l %{_mandir}/manl/r3d_objects.l %{_mandir}/manl/r3dtops.l %{_mandir}/manl/rastep.l %{_mandir}/manl/raster3d.l %{_mandir}/manl/render.l %{_mandir}/manl/ribbon.l %{_mandir}/manl/rods.l %{_mandir}/manl/stereo3d.l %{_datadir}/Raster3D %{_sysconfdir}/profile.d/Raster3D.csh %{_sysconfdir}/profile.d/Raster3D.sh %post MGK= if [ -a /usr/lib/ImageMagick/config/delegates.mgk ]; then MGK="/usr/lib/ImageMagick/config/delegates.mgk" elif [ -a /usr/X11R6/share/ImageMagick/delegates.mgk ]; then MGK="/usr/X11R6/share/ImageMagick/delegates.mgk" elif [ -a /usr/lib/ImageMagick/delegates.mgk ]; then MGK="/usr/lib/ImageMagick/delegates.mgk" fi OLD="# Raster3D 2.6 \nr3d=> \nrender -tiff %o < %i" XML=" " if [ -n "$MGK" ]; then if grep -q "xml" $MGK; then if ! grep -q "r3d" $MGK; then cp -f $MGK /tmp/delegates.bak.$$ sed "/<\/delegatemap>/{x;s!^!$XML!;G;}" $MGK > /tmp/delegates.mgk.$$ cp -f /tmp/delegates.mgk.$$ $MGK rm -f /tmp/delegates.mgk.$$ fi else if grep -q "r3d" $MGK; then echo -e $OLD >> $MGK fi fi fi %postun MGK= if [ -a /usr/lib/ImageMagick/config/delegates.mgk ]; then MGK="/usr/lib/ImageMagick/config/delegates.mgk" elif [ -a /usr/X11R6/share/ImageMagick/delegates.mgk ]; then MGK="/usr/X11R6/share/ImageMagick/delegates.mgk" elif [ -a /usr/lib/ImageMagick/delegates.mgk ]; then MGK="/usr/lib/ImageMagick/delegates.mgk" fi if [ -n "$MGK" ]; then grep -v r3d $MGK > /tmp/delegates.mgk.$$ cp -f /tmp/delegates.mgk.$$ $MGK rm -f /tmp/delegates.mgk.$$ fi %changelog * Thu Feb 03 2011 Ethan Merritt - release Raster3D-3.0-2 (dynamic array allocation; libgd support) * Tue Dec 19 2010 Ethan Merritt - released Raster3D-3.0-1 (dynamic array allocation; libgd support) * Tue Mar 16 2010 Christoph Champ - released Raster3D-2.9-2 (dynamic) * Fri Feb 12 2010 Christoph Champ - released Raster3D-2.9-1 (static) * Thu Jan 21 2010 Christoph Champ - changed "mkdirhier" to "mkdir -p" - added "-fno-range-check" to FFLAGS * Fri Mar 7 2008 EAM - More gfortran initialization problems * Wed May 3 2006 EAM - rastep was suffering from gfortran + uninitialized arrays * Tue Apr 12 2006 EAM - Update for 2.7d (gfortran, ImageMagick 6+) * Thu Feb 12 2004 EAM - rastep logical test of noerr fails in g77 * Fri Feb 6 2004 EAM - modify label3d and stereo3d to handle change in ImageMagick output format - built under Mandrake 9.2 against glibc.so.6 * Mon Oct 20 2003 EAM - Add -background option to render; check for Uii=0 in rastep * Thu Jun 19 2003 EAM - Fix TMPDIR bug in normal3d and update docs to say PNG is default output * Wed May 7 2003 EAM - Bump versioning to 2.7a because rpm thinks 2.6g < 2.6.6 (2.6f) - reduce problems with libpng versioning by linking to a static libpng.a * Thu Jan 2 2003 MATSUURA Takanori - prefix was changed to %%{_prefix} - improved, more complete spec file * Thu Nov 7 2002 - modify post-install script for ImageMagick XML delegates file * Wed Nov 6 2002 EAM - update RPM distribution to match newer libs in Mandrake 8.2/9.0 Redhat 7.3/8.0 * Fri May 3 2002 EAM - modify for cross-platform build * Fri Apr 3 2002 Won-kyu Park - make raster3d.spec more compliant with conventions for building rpm Raster3D_3.0-2/./raster3d-3.0-2.spec0000644000471100047110000001451411522570532016366 0ustar merrittmerrittSummary: Raster3D photorealistic molecular graphics package Name: Raster3D Version: 3.0 Release: 2 %define r3dver %{name}_%{version}-%{release} License: Source freely available, redistribution restricted Source: http://www.bmsc.washington.edu/raster3d/%{name}_%{version}-%{release}.tar.gz URL: http://www.bmsc.washington.edu/raster3d Packager: Ethan A Merritt Group: Graphics BuildRoot:%{_tmppath}/%{name}-%{version}-buildroot BuildRequires: libgd-devel libtiff-devel # # You may or may not want the following definitions %define _prefix /usr/local %define _bindir %{_prefix}/bin %define _mandir %{_prefix}/man %define _datadir %{_prefix}/share %description The Raster3D molecular graphics package consists of a core rendering program and a number of ancillary programs that produce input files for rendering from PDB (Protein Data Bank) files of atomic coordinates. Raster3D can also render images composed using other programs such as Molscript or XtalView. Raster3D uses a fast Z-buffer algorithm to produce high quality pixel images featuring one shadowing light source, additional non-shadowing light sources, specular highlighting, transparency, and Phong shaded surfaces. Output is to a pixel image with 24 bits of color information per pixel. Raster3D does not depend on graphics hardware. This version is dynamically linked. Program reference and requested citation: Merritt & Bacon (1997) Meth. Enzymol. 277, 505-524. %prep %setup -q -n %{r3dver} %build make clean if [ -x $PGI/linux86/bin/pgf77 ]; then make linux-pgf77 make all FFLAGS='-O -Munroll -tp px' PLIBS='/usr/lib/libpng.a' elif [ -x /usr/bin/gfortran ]; then make linux make all FFLAGS="-g -O3 -ffixed-line-length-132 -Wtabs -fno-range-check" CFLAGS="-Dgfortran $RPM_OPT_FLAGS" else make linux make all FFLAGS="$RPM_OPT_FLAGS" CFLAGS="$RPM_OPT_FLAGS" fi # Changing R3D_LIB grep -v R3D_LIB Raster3D.csh > Raster3D.csh.$$ echo "setenv R3D_LIB %{_datadir}/Raster3D/materials" >> Raster3D.csh.$$ mv Raster3D.csh.$$ Raster3D.csh grep -v R3D_LIB Raster3D.sh > Raster3D.sh.$$ echo "export R3D_LIB=%{_datadir}/Raster3D/materials" >> Raster3D.sh.$$ mv Raster3D.sh.$$ Raster3D.sh %install rm -rf $RPM_BUILD_ROOT mkdir -p $RPM_BUILD_ROOT%{_datadir} mkdir -p $RPM_BUILD_ROOT%{_mandir} mkdir -p $RPM_BUILD_ROOT%{_bindir} make install prefix=$RPM_BUILD_ROOT%{_prefix} \ datadir=$RPM_BUILD_ROOT%{_datadir}/Raster3D/materials \ mandir=$RPM_BUILD_ROOT%{_mandir}/manl mkdir -p $RPM_BUILD_ROOT/%{_sysconfdir}/profile.d install -m755 Raster3D.{csh,sh} $RPM_BUILD_ROOT/%{_sysconfdir}/profile.d/ %clean rm -rf $RPM_BUILD_ROOT %files %defattr (-,root,root) %doc README CHANGELOG BUGS doc/R3D_manual.pdf VERSION %{_bindir}/avs2ps %{_bindir}/balls %{_bindir}/worms %{_bindir}/rastep %{_bindir}/render %{_bindir}/ribbon %{_bindir}/rings3d %{_bindir}/rods %{_bindir}/normal3d %{_bindir}/stereo3d %{_mandir}/manl/avs2ps.l %{_mandir}/manl/balls.l %{_mandir}/manl/label3d.l %{_mandir}/manl/normal3d.l %{_mandir}/manl/r3d_objects.l %{_mandir}/manl/r3dtops.l %{_mandir}/manl/rastep.l %{_mandir}/manl/raster3d.l %{_mandir}/manl/render.l %{_mandir}/manl/ribbon.l %{_mandir}/manl/rods.l %{_mandir}/manl/stereo3d.l %{_datadir}/Raster3D %{_sysconfdir}/profile.d/Raster3D.csh %{_sysconfdir}/profile.d/Raster3D.sh %post MGK= if [ -a /usr/lib/ImageMagick/config/delegates.mgk ]; then MGK="/usr/lib/ImageMagick/config/delegates.mgk" elif [ -a /usr/X11R6/share/ImageMagick/delegates.mgk ]; then MGK="/usr/X11R6/share/ImageMagick/delegates.mgk" elif [ -a /usr/lib/ImageMagick/delegates.mgk ]; then MGK="/usr/lib/ImageMagick/delegates.mgk" fi OLD="# Raster3D 2.6 \nr3d=> \nrender -tiff %o < %i" XML=" " if [ -n "$MGK" ]; then if grep -q "xml" $MGK; then if ! grep -q "r3d" $MGK; then cp -f $MGK /tmp/delegates.bak.$$ sed "/<\/delegatemap>/{x;s!^!$XML!;G;}" $MGK > /tmp/delegates.mgk.$$ cp -f /tmp/delegates.mgk.$$ $MGK rm -f /tmp/delegates.mgk.$$ fi else if grep -q "r3d" $MGK; then echo -e $OLD >> $MGK fi fi fi %postun MGK= if [ -a /usr/lib/ImageMagick/config/delegates.mgk ]; then MGK="/usr/lib/ImageMagick/config/delegates.mgk" elif [ -a /usr/X11R6/share/ImageMagick/delegates.mgk ]; then MGK="/usr/X11R6/share/ImageMagick/delegates.mgk" elif [ -a /usr/lib/ImageMagick/delegates.mgk ]; then MGK="/usr/lib/ImageMagick/delegates.mgk" fi if [ -n "$MGK" ]; then grep -v r3d $MGK > /tmp/delegates.mgk.$$ cp -f /tmp/delegates.mgk.$$ $MGK rm -f /tmp/delegates.mgk.$$ fi %changelog * Thu Feb 03 2011 Ethan Merritt - release Raster3D-3.0-2 (dynamic array allocation; libgd support) * Tue Dec 19 2010 Ethan Merritt - released Raster3D-3.0-1 (dynamic array allocation; libgd support) * Tue Mar 16 2010 Christoph Champ - released Raster3D-2.9-2 (dynamic) * Fri Feb 12 2010 Christoph Champ - released Raster3D-2.9-1 (static) * Thu Jan 21 2010 Christoph Champ - changed "mkdirhier" to "mkdir -p" - added "-fno-range-check" to FFLAGS * Fri Mar 7 2008 EAM - More gfortran initialization problems * Wed May 3 2006 EAM - rastep was suffering from gfortran + uninitialized arrays * Tue Apr 12 2006 EAM - Update for 2.7d (gfortran, ImageMagick 6+) * Thu Feb 12 2004 EAM - rastep logical test of noerr fails in g77 * Fri Feb 6 2004 EAM - modify label3d and stereo3d to handle change in ImageMagick output format - built under Mandrake 9.2 against glibc.so.6 * Mon Oct 20 2003 EAM - Add -background option to render; check for Uii=0 in rastep * Thu Jun 19 2003 EAM - Fix TMPDIR bug in normal3d and update docs to say PNG is default output * Wed May 7 2003 EAM - Bump versioning to 2.7a because rpm thinks 2.6g < 2.6.6 (2.6f) - reduce problems with libpng versioning by linking to a static libpng.a * Thu Jan 2 2003 MATSUURA Takanori - prefix was changed to %%{_prefix} - improved, more complete spec file * Thu Nov 7 2002 - modify post-install script for ImageMagick XML delegates file * Wed Nov 6 2002 EAM - update RPM distribution to match newer libs in Mandrake 8.2/9.0 Redhat 7.3/8.0 * Fri May 3 2002 EAM - modify for cross-platform build * Fri Apr 3 2002 Won-kyu Park - make raster3d.spec more compliant with conventions for building rpm Raster3D_3.0-2/./molscript/0000775000471100047110000000000011522570626015343 5ustar merrittmerrittRaster3D_3.0-2/./molscript/README0000664000471100047110000000653511327673235016237 0ustar merrittmerrittNB: These patches are specifically for Molscript version 1.4 They are not at all necessary for Molscript version 2.0, and you are almost certainly better off just getting the newer Molscript version than trying to patch an older one. Ethan A Merritt October 1998 ========================================================================= To use Molscript as an input driver for Raster3D you first need to obtain a copy of Molscript version 1.4 from Per Kraulis. Earlier versions of Molscript supported only a very limited interface to Raster3D (basically just CPK models). Molscript is subject to license control. Please make sure that you have registered a license agreement. If you need to contact Per Kraulis, the most recent Email address I have is: krpx@sgikrpe.sto.se.pnu.com This directory contains two subroutines which can be used to patch Molscript version 1.4 to improve the interface to Raster3D. raspln.f - a replacement for the RASPLN subroutine in the distributed version of graphics.f grlind.f - an additional routine to be added to the distributed version of graphics.f graphics.f - a patched version of the Molscript V1.4 graphics.f with the new RASPLN and GRLIND already added. The routine RASPLN (file raspln.f) replaces an older version of the same routine in the Molscript source file graphics.f. The older version could produce odd results near the edges of a helix, particularly if the Molscript "segments" parameter was too small. The new version is much more forgiving. The new version also contains code to render all sides of a helix, rather than just the front (visible) surface. I hope that this code will be selectable as an option in some future version of Molscript (e.g. "set helixsolid = yes"), but for now it is by default disabled. The routine GRLIND (file grlind.f) also needs to be inserted into the Molscript source file graphics.f. You must also edit a couple of other lines in graphics.f as described in step 4 below. These changes will allow Molscript to output dotted lines in Raster3D mode. ============================================================================= Step by step instructions: 1) Go to your Molscript source directory 2) Make a backup copy of the original Molscript source files graphics.f 3) If you have made no local changes to the Molscript V1.4 version of graphics.f, you can just copy the new version from the Raster3D distribution into the Molscript source directory and skip to step 5. 4) If you have an already altered version of graphics.f and want to apply the Raster3D fixes on top of your local modifications, then use the source code in raspln.f and grlind.f (a) Replace the routine RASPLN with the contents of the file raspln.f from the Raster3D distribution. (b) Insert the file grlind.f into the graphics.f source file. (c) Find SUBROUTINE GRLINE in the graphics.f source file. Just *before* the line (should be line 516) C Ignore if entirely outside of view Insert the following code fragment: C Ethan A Merritt Aug 1994 C for Raster3D draw dashed lines as a string of spheres IF (RASTER .AND. (LINDSH(TOTGST).NE.0)) THEN CALL GRLIND( COO1, COO2 ) RETURN END IF 5) Rebuild and re-install Molscript ============================================================================= Ethan A Merritt August 1996 Raster3D_3.0-2/./molscript/grlind.f0000664000471100047110000000151011327673235016771 0ustar merrittmerrittC----------------------------------- C Ethan A Merritt Aug 1994 C only used for Raster3D - draw dotted line as chain of spheres C interpret "linedash" parameter as spacing between spheres C----------------------------------- SUBROUTINE GRLIND (COO1, COO2) C INCLUDE 'molscript.dim' INCLUDE 'graphics.inc' C REAL COO1 (3), COO2 (3) C C COO1 (In) line endpoint coordinates C COO2 (In) C REAL V3DIFF REAL RAD, COO(3), CINC(3) INTEGER I, NDOTS C RAD = LINEWD(TOTGST) NDOTS = V3DIFF( COO1, COO2 ) / (RAD * (LINDSH(TOTGST)+1)) CALL V3SUBT( CINC, COO2, COO1 ) CALL V3SCAL( CINC, 1./FLOAT(NDOTS), CINC ) C CALL V3COPY( COO, COO1 ) DO I = 1, NDOTS-1 CALL V3ADD( COO, COO, CINC ) CALL GRSPHE( COO, RAD, LINCOL(1,TOTGST) ) END DO C RETURN END C Raster3D_3.0-2/./molscript/graphics.f0000664000471100047110000015544611327673235017334 0ustar merrittmerrittC graphics.f C C MolScript v1.4, copyright (C) 1993 Per Kraulis C C Graphical database handling procedures. C C Per Kraulis, Dept Molecular Biology, Uppsala University, Sweden. C 17-Dec-1990 first attempts C 20-Dec-1993 modifications for Raster3D, due to Ethan Merritt C 4-Aug-1994 dotted lines for Raster3D, due to Ethan Merritt C 19-Aug-1996 mods to Raster3D routine RASPLN, Ethan Merritt C C GRINIT initialize graphics database C GRINMP init parameter and colour names and paths C GRIGST increment graphics state C GRPPAR prepare for parameter value modification C GRMPAR modify parameter value C GRPCOL prepare for colour specification C GRSCOL set colour specified C GRLINE create line segment C GRLIND create dashed line segment, for Raster3D C GRSPHE create sphere segment C GRPLAN create plane segment C RASPLN create plane segment, for Raster3D C GRCHPL change type of last created plane segment C GRLABL create label segment C GRSTIK create stick segment C GRSEG enter segment into graphics database C GRPOST output graphics database to PostScript file C GRCOMP comparison function for depth sort C GRDCUE compute depth cue from z coordinate C GRRAST output graphics database to Raster3D file C GRSHAD shade colour C GRSWIN set window to encompass segments C GRSCLI set clip slab to encompass segments C C C---------------------- SUBROUTINE GRINIT C INCLUDE 'molscript.dim' INCLUDE 'molscript.inc' INCLUDE 'graphics.inc' C C Help variable C INTEGER SLOT C C Default plot area, aspect ratio C IF (RASTER) THEN AREA (1) = -0.5 AREA (2) = -0.5 AREA (3) = 0.5 AREA (4) = 0.5 ELSE AREA (1) = 50.0 AREA (2) = 100.0 AREA (3) = 550.0 AREA (4) = 700.0 END IF ASPECT = (AREA (4) - AREA (2)) / (AREA (3) - AREA (1)) C C Default frame drawn C FRAME = .TRUE. C C Default background colour white C BCKCOL (1) = 1.0 BCKCOL (2) = 1.0 BCKCOL (3) = 1.0 C C Graphical object parameters C BONDDI = 1.9 SEGMNT = 6 SMSTEP = 2 HERMFC = 1.0 HLXWID = 2.4 CILRAD = 0.2 STWID = 1.0 STTHK = 0.3 HELTHK = 0.15 C C Graphics state start values C TOTGST = 1 IF (RASTER) THEN LINEWD (1) = 1.0 / 25.0 ELSE LINEWD (1) = 1.0 END IF CALL V3INIT (LINCOL (1, 1), 0.0, 0.0, 0.0) LINDSH (1) = 0.0 DCUEFC (1) = 0.75 DCCOLR (1) = 0.0 CALL V3INIT (PLPCOL (1, 1), 1.0, 1.0, 1.0) CALL V3INIT (PLSCOL (1, 1), 0.5, 0.5, 0.5) SHDEXP = 1.5 SHADNG = 0.5 CALL V3INIT (LABOFF, 0.0, 0.0, 0.0) LABSIZ (1) = 20.0 LABCTR (1) = .TRUE. DO 100 SLOT = 1, 80 LABMSK (SLOT, 1) = 0 100 CONTINUE LABCLP (1) = .FALSE. LABROT (1) = .FALSE. STKRAD (1) = 0.2 STKTAP (1) = 0.75 C C Parameter change indicators C PARNUM = 0 COLNUM = 0 C C Init segments C TOTSEG = 0 TOTLIN = 0 TOTSPH = 0 TOTPLA = 0 TOTLAB = 0 TOTSTK = 0 C C Undefined window and clip size C WIND = -1.0 CLIP = -1.0 C C Previous plane was not clipped; it didn't exist C PLACLP = .FALSE. C RETURN END C C C---------------------- BLOCK DATA GRINMP C INCLUDE 'molscript.dim' INCLUDE 'graphics.inc' C DATA PARID /'atomcolour', 'atomradius', 'bonddistance', $ 'coilradius', 'colourdepthcue', 'depthcue', 'helixthickness', $ 'helixwidth', 'labelcentre', 'labelclip', 'labelmask', $ 'labeloffset', 'labelrotation', 'labelsize', 'linecolour', $ 'linedash', 'linewidth', 'plane2colour', 'planecolour', $ 'segments','shading', 'shadingexponent', 'smoothsteps', $ 'splinefactor', 'stickradius', 'sticktaper', 'strandthickness', $ 'strandwidth'/ DATA PARPTH /'%s', '%a', '%r', '%r', '%r', '%r', '%r', '%r', '%b', $ '%b', '%l', '%v', '%b', '%r', '%c', '%r', '%r', '%c', '%c', '%i', $ '%r', '%r', '%i', '%r', '%r', '%r', '%r', '%r'/ C DATA COLID /'black', 'blue', 'cyan', 'gray', 'green', 'grey', $ 'hsb', 'purple', 'red', 'rgb', 'white', 'yellow'/ DATA COLPTH /'%n', '%n', '%n', '%r', '%n', '%r', '%v', '%n', $ '%n', '%v', '%n', '%n'/ C END C C C---------------------- SUBROUTINE GRIGST C INCLUDE 'molscript.dim' INCLUDE 'graphics.inc' C C Help variable C INTEGER SLOT C IF (TOTGST .GE. MAXGST) $ CALL MABORT ('no space for modified parameters; MAXGST') C C Increment and copy over previous values C TOTGST = TOTGST + 1 C LINEWD (TOTGST) = LINEWD (TOTGST - 1) CALL V3COPY (LINCOL (1, TOTGST), LINCOL (1, TOTGST - 1)) LINDSH (TOTGST) = LINDSH (TOTGST - 1) DCUEFC (TOTGST) = DCUEFC (TOTGST - 1) DCCOLR (TOTGST) = DCCOLR (TOTGST - 1) CALL V3COPY (PLPCOL (1, TOTGST), PLPCOL (1, TOTGST - 1)) CALL V3COPY (PLSCOL (1, TOTGST), PLSCOL (1, TOTGST - 1)) LABSIZ (TOTGST) = LABSIZ (TOTGST - 1) LABCTR (TOTGST) = LABCTR (TOTGST - 1) DO 100 SLOT = 1, 80 LABMSK (SLOT, TOTGST) = LABMSK (SLOT, TOTGST - 1) 100 CONTINUE LABCLP (TOTGST) = LABCLP (TOTGST - 1) LABROT (TOTGST) = LABROT (TOTGST - 1) STKRAD (TOTGST) = STKRAD (TOTGST - 1) STKTAP (TOTGST) = STKTAP (TOTGST - 1) C RETURN END C C C---------------------------- SUBROUTINE GRPPAR (PAR) C INCLUDE 'molscript.dim' INCLUDE 'graphics.inc' C CHARACTER*(*) PAR C C PAR (In) parameter to init modification of C C Externally defined functions C INTEGER BFINDS C C Help variables C INTEGER ERRCOD C C Find parameter C PARNUM = BFINDS (PAR, PARID, TOTPAR) IF (PARNUM .LT. 1) CALL MABORT ('no such parameter') C C Set syntax path for parameter value C CALL SXPARS (PARPTH (PARNUM), 0, ERRCOD) IF (ERRCOD .NE. 0) $ CALL MABORT ('internal: parsing parameter syntax path') C RETURN END C C C---------------------- SUBROUTINE GRMPAR C INCLUDE 'molscript.dim' INCLUDE 'molscript.inc' INCLUDE 'graphics.inc' C C Externally defined function C INTEGER ACOUNT C C Help variables C INTEGER AT, SLOT C IF (PARID (PARNUM) .EQ. 'bonddistance') THEN IF (RVALUE .LE. 0.0) GOTO 900 BONDDI = RVALUE C ELSE IF (PARID (PARNUM) .EQ. 'linewidth') THEN IF (RVALUE .LT. 0.0) GOTO 900 IF (RASTER) THEN LINEWD (TOTGST) = RVALUE / 25.0 ELSE LINEWD (TOTGST) = RVALUE END IF C ELSE IF (PARID (PARNUM) .EQ. 'linecolour') THEN CALL GRSCOL CALL V3COPY (LINCOL (1, TOTGST), VECTOR) C ELSE IF (PARID (PARNUM) .EQ. 'linedash') THEN IF (RVALUE .LT. 0.0) GOTO 900 LINDSH (TOTGST) = RVALUE C ELSE IF (PARID (PARNUM) .EQ. 'stickradius') THEN IF (RVALUE .LE. 0.0) GOTO 900 STKRAD (TOTGST) = RVALUE C ELSE IF (PARID (PARNUM) .EQ. 'sticktaper') THEN IF (RVALUE .LT. 0.0) GOTO 900 IF (RVALUE .GT. 1.0) GOTO 900 STKTAP (TOTGST) = RVALUE C ELSE IF (PARID (PARNUM) .EQ. 'depthcue') THEN IF (RVALUE .LT. 0.0) GOTO 900 IF (RVALUE .GT. 1.0) GOTO 900 DCUEFC (TOTGST) = RVALUE C ELSE IF (PARID (PARNUM) .EQ. 'colourdepthcue') THEN IF (RVALUE .LT. -1.0) GOTO 900 IF (RVALUE .GT. 1.0) GOTO 900 DCCOLR (TOTGST) = RVALUE C ELSE IF (PARID (PARNUM) .EQ. 'atomradius') THEN IF (RVALUE .LE. 0.0) GOTO 900 CALL MSGINT (ACOUNT (1)) CALL MSGSTR ('atoms selected for atomradius') CALL MSGOUT DO 100 AT = 1, TOTATM IF (ATFLAG (AT, 1)) ATRAD (AT) = RVALUE 100 CONTINUE TOTASF = 0 C ELSE IF (PARID (PARNUM) .EQ. 'atomcolour') THEN CALL GRSCOL CALL MSGINT (ACOUNT (1)) CALL MSGSTR ('atoms selected for atomcolour') CALL MSGOUT DO 200 AT = 1, TOTATM IF (ATFLAG (AT, 1)) CALL V3COPY (ATCOL (1, AT), VECTOR) 200 CONTINUE TOTASF = 0 C ELSE IF (PARID (PARNUM) .EQ. 'planecolour') THEN CALL GRSCOL CALL V3COPY (PLPCOL (1, TOTGST), VECTOR) C ELSE IF (PARID (PARNUM) .EQ. 'plane2colour') THEN CALL GRSCOL CALL V3COPY (PLSCOL (1, TOTGST), VECTOR) C ELSE IF (PARID (PARNUM) .EQ. 'segments') THEN IF (IVALUE .LT. 1) GOTO 900 SEGMNT = IVALUE C ELSE IF (PARID (PARNUM) .EQ. 'helixwidth') THEN IF (RVALUE .LT. 0.1) GOTO 900 HLXWID = RVALUE C ELSE IF (PARID (PARNUM) .EQ. 'coilradius') THEN IF (RVALUE .LT. 0.01) GOTO 900 CILRAD = RVALUE C ELSE IF (PARID (PARNUM) .EQ. 'strandwidth') THEN IF (RVALUE .LT. 0.02) GOTO 900 STWID = RVALUE / 2.0 C ELSE IF (PARID (PARNUM) .EQ. 'strandthickness') THEN IF (RVALUE .LT. 0.01) GOTO 900 STTHK = RVALUE / 2.0 C ELSE IF (PARID (PARNUM) .EQ. 'helixthickness') THEN C IF (RVALUE .LT. 0.0) GOTO 900 HELTHK = RVALUE / 2.0 C ELSE IF (PARID (PARNUM) .EQ. 'smoothsteps') THEN IF (IVALUE .LT. 1) GOTO 900 SMSTEP = IVALUE C ELSE IF (PARID (PARNUM) .EQ. 'splinefactor') THEN IF (RVALUE .LE. 0.01) GOTO 900 HERMFC = RVALUE C ELSE IF (PARID (PARNUM) .EQ. 'shadingexponent') THEN IF (RVALUE .LT. 0.0) GOTO 900 SHDEXP = RVALUE C ELSE IF (PARID (PARNUM) .EQ. 'shading') THEN IF (RVALUE .LT. 0.0) GOTO 900 IF (RVALUE .GT. 1.0) GOTO 900 SHADNG = RVALUE C ELSE IF (PARID (PARNUM) .EQ. 'labeloffset') THEN CALL V3COPY (LABOFF, VECTOR) C ELSE IF (PARID (PARNUM) .EQ. 'labelsize') THEN IF (RVALUE .LT. 1.0) GOTO 900 LABSIZ (TOTGST) = RVALUE C ELSE IF (PARID (PARNUM) .EQ. 'labelcentre') THEN LABCTR (TOTGST) = LVALUE C ELSE IF (PARID (PARNUM) .EQ. 'labelmask') THEN DO 300 SLOT = 1, IVALUE IF (NAME80 (SLOT : SLOT) .EQ. ' ') THEN LABMSK (SLOT, TOTGST) = 3 * (LABMSK (SLOT, TOTGST) / 3) ELSE IF (NAME80 (SLOT : SLOT) .EQ. 'l') THEN LABMSK (SLOT, TOTGST) = 3 * (LABMSK (SLOT, TOTGST) / 3) + 1 ELSE IF (NAME80 (SLOT : SLOT) .EQ. 'u') THEN LABMSK (SLOT, TOTGST) = 3 * (LABMSK (SLOT, TOTGST) / 3) + 2 ELSE IF (NAME80 (SLOT : SLOT) .EQ. 'g') THEN LABMSK (SLOT, TOTGST) = MOD (LABMSK (SLOT, TOTGST), 3) + 3 ELSE IF (NAME80 (SLOT : SLOT) .EQ. 'r') THEN LABMSK (SLOT, TOTGST) = MOD (LABMSK (SLOT, TOTGST), 3) ELSE CALL MABORT ('invalid labelmask') END IF 300 CONTINUE C ELSE IF (PARID (PARNUM) .EQ. 'labelclip') THEN LABCLP (TOTGST) = LVALUE C ELSE IF (PARID (PARNUM) .EQ. 'labelrotation') THEN LABROT (TOTGST) = LVALUE C END IF C RETURN C 900 CALL MABORT ('invalid value for parameter') END C C C---------------------------- SUBROUTINE GRPCOL (COL) C INCLUDE 'molscript.dim' INCLUDE 'molscript.inc' INCLUDE 'graphics.inc' C CHARACTER*(*) COL C C COL (In) colour specification C C Externally defined functions C INTEGER BFINDS C C Help variables C INTEGER ERRCOD C C Find parameter C COLNUM = BFINDS (COL, COLID, TOTCOL) IF (COLNUM .LT. 1) CALL MABORT ('no such colour') C C Set syntax path for colour specification C CALL SXPARS (COLPTH (COLNUM), 0, ERRCOD) IF (ERRCOD .NE. 0) $ CALL MABORT ('internal: parsing colour syntax path') C RETURN END C C C---------------------- SUBROUTINE GRSCOL C INCLUDE 'molscript.dim' INCLUDE 'molscript.inc' INCLUDE 'graphics.inc' C C Help variable C INTEGER SLOT C C Skip if no colour specification C IF (COLNUM .EQ. 0) RETURN C IF (COLID (COLNUM) .EQ. 'gray' .OR. $ COLID (COLNUM) .EQ. 'grey') THEN IF (RVALUE .LT. 0.0) GOTO 900 IF (RVALUE .GT. 1.0) GOTO 900 CALL V3INIT (VECTOR, RVALUE, RVALUE, RVALUE) C ELSE IF (COLID (COLNUM) .EQ. 'rgb') THEN DO 100 SLOT = 1, 3 IF (VECTOR (SLOT) .LT. 0.0) GOTO 900 IF (VECTOR (SLOT) .GT. 1.0) GOTO 900 100 CONTINUE C C Add on offset to first component to indicate HSB specification C ELSE IF (COLID (COLNUM) .EQ. 'hsb') THEN DO 200 SLOT = 1, 3 IF (VECTOR (SLOT) .LT. 0.0) GOTO 900 IF (VECTOR (SLOT) .GT. 1.0) GOTO 900 200 CONTINUE IF (RASTER) THEN CALL MSGSTR ('converting HSB colour to RGB for Raster3D') CALL MSGOUT VECTOR (1) = 360.0 * VECTOR (1) CALL HSVRGB (VECTOR, VECTOR) ELSE VECTOR (1) = VECTOR (1) + 10.0 END IF C ELSE IF (COLID (COLNUM) .EQ. 'black') THEN CALL V3INIT (VECTOR, 0.0, 0.0, 0.0) C ELSE IF (COLID (COLNUM) .EQ. 'white') THEN CALL V3INIT (VECTOR, 1.0, 1.0, 1.0) C ELSE IF (COLID (COLNUM) .EQ. 'red') THEN CALL V3INIT (VECTOR, 1.0, 0.0, 0.0) C ELSE IF (COLID (COLNUM) .EQ. 'green') THEN CALL V3INIT (VECTOR, 0.0, 1.0, 0.0) C ELSE IF (COLID (COLNUM) .EQ. 'blue') THEN CALL V3INIT (VECTOR, 0.0, 0.0, 1.0) C ELSE IF (COLID (COLNUM) .EQ. 'yellow') THEN CALL V3INIT (VECTOR, 1.0, 1.0, 0.0) C ELSE IF (COLID (COLNUM) .EQ. 'cyan') THEN CALL V3INIT (VECTOR, 0.0, 1.0, 1.0) C ELSE IF (COLID (COLNUM) .EQ. 'purple') THEN CALL V3INIT (VECTOR, 1.0, 0.0, 1.0) END IF C COLNUM = 0 RETURN C 900 CALL MABORT ('invalid value for colour specification') END C C C----------------------------------- SUBROUTINE GRLINE (COO1, COO2) C INCLUDE 'molscript.dim' INCLUDE 'graphics.inc' C REAL COO1 (3), COO2 (3) C C COO1 (In) line endpoint coordinates C COO2 (In) C C Ethan A Merritt Aug 1994 C for Raster3D output draw dashed lines as string of spheres IF (RASTER .AND. (LINDSH(TOTGST).NE.0)) THEN CALL GRLIND( COO1, COO2 ) RETURN END IF C C Ignore if entirely outside of view C IF (WIND .GT. 0.0 .AND. .NOT. RASTER) THEN IF (COO1 (1) .LT. - ASWIND (1) .AND. $ COO2 (1) .LT. - ASWIND (1)) RETURN IF (COO1 (2) .LT. - ASWIND (2) .AND. $ COO2 (2) .LT. - ASWIND (2)) RETURN IF (COO1 (1) .GT. ASWIND (1) .AND. $ COO2 (1) .GT. ASWIND (1)) RETURN IF (COO1 (2) .GT. ASWIND (2) .AND. $ COO2 (2) .GT. ASWIND (2)) RETURN END IF C IF (CLIP .GT. 0.0) THEN IF (COO1 (3) .LT. -CLIP .AND. $ COO2 (3) .LT. -CLIP) RETURN IF (COO1 (3) .GT. CLIP .AND. $ COO2 (3) .GT. CLIP) RETURN END IF C C Enter into graphics database C IF (TOTLIN .GE. MAXLIN) CALL MABORT ('no space for line; MAXLIN') C TOTLIN = TOTLIN + 1 CALL V3COPY (LINCOO (1, 1, TOTLIN), COO1) CALL V3COPY (LINCOO (1, 2, TOTLIN), COO2) C CALL GRSEG (LINE, TOTLIN, (COO1 (3) + COO2 (3)) / 2.0) C RETURN END C C Ethan A Merritt Aug 1994 C only used for Raster3D - draw dotted line as chain of spheres C interpret "linedash" parameter as spacing between spheres C----------------------------------- SUBROUTINE GRLIND (COO1, COO2) C INCLUDE 'molscript.dim' INCLUDE 'graphics.inc' C REAL COO1 (3), COO2 (3) C C COO1 (In) line endpoint coordinates C COO2 (In) C REAL V3DIFF REAL RAD, COO(3), CINC(3) INTEGER I, NDOTS C RAD = LINEWD(TOTGST) NDOTS = V3DIFF( COO1, COO2 ) / (RAD * (LINDSH(TOTGST)+1)) IF (NDOTS.LE.1.0) NDOTS = 1 CALL V3SUBT( CINC, COO2, COO1 ) CALL V3SCAL( CINC, 1./FLOAT(NDOTS), CINC ) C CALL V3COPY( COO, COO1 ) DO I = 1, NDOTS-1 CALL V3ADD( COO, COO, CINC ) CALL GRSPHE( COO, RAD, LINCOL(1,TOTGST) ) END DO C RETURN END C C C-------------------------------------- SUBROUTINE GRSPHE (COO, RAD, COL) C INCLUDE 'molscript.dim' INCLUDE 'graphics.inc' C REAL COO (3), RAD, COL (3) C C COO (In) coordinate C RAD (In) radius C COL (In) colour specification C C Ignore if entirely outside of view C IF (WIND .GT. 0.0 .AND. .NOT. RASTER) THEN IF (COO (1) + RAD .LT. - ASWIND (1)) RETURN IF (COO (1) - RAD .GT. ASWIND (1)) RETURN IF (COO (2) + RAD .LT. - ASWIND (2)) RETURN IF (COO (2) - RAD .GT. ASWIND (2)) RETURN END IF C IF (CLIP .GT. 0.0) THEN IF (COO (3) + RAD .LT. -CLIP) RETURN IF (COO (3) - RAD .GT. CLIP) RETURN END IF C C Enter into graphics database C IF (TOTSPH .GE. MAXSPH) CALL MABORT('no space for sphere; MAXSPH') C TOTSPH = TOTSPH + 1 CALL V3COPY (SPHCOO (1, TOTSPH), COO) SPHRAD (TOTSPH) = RAD CALL V3COPY (SPHCOL (1, TOTSPH), COL) C C Depth sort: centre plus half radius C CALL GRSEG (SPHERE, TOTSPH, COO (3) + 0.5 * RAD) C RETURN END C C C------------------------------------------------------ SUBROUTINE GRPLAN (COO, JOIN, PLTYPE, PRIM, ZDIR) C INCLUDE 'molscript.dim' INCLUDE 'graphics.inc' C REAL COO (3, 4), ZDIR LOGICAL JOIN, PRIM INTEGER PLTYPE C C COO (In) coordinates C JOIN (In) join plane with previous C PLTYPE (In) type of plane; which bounding lines to draw C PRIM (In) primary surface, otherwise secondary C ZDIR (In) z component of plane direction vector, for shading C C Externally defined functions C REAL V3DIFF, V3DOT C C Help variables C REAL VEC1 (3), VEC2 (3), PREV2 (3), PREV3 (3) REAL ZCOO SAVE PREV2, PREV3 C C Ignore if entirely outside of view C IF (WIND .GT. 0.0 .AND. .NOT. RASTER) THEN IF (COO (1, 1) .LT. - ASWIND (1) .AND. $ COO (1, 2) .LT. - ASWIND (1) .AND. $ COO (1, 3) .LT. - ASWIND (1) .AND. $ COO (1, 4) .LT. - ASWIND (1)) GOTO 900 IF (COO (2, 1) .LT. - ASWIND (2) .AND. $ COO (2, 2) .LT. - ASWIND (2) .AND. $ COO (2, 3) .LT. - ASWIND (2) .AND. $ COO (2, 4) .LT. - ASWIND (2)) GOTO 900 IF (COO (1, 1) .GT. ASWIND (1) .AND. $ COO (1, 2) .GT. ASWIND (1) .AND. $ COO (1, 3) .GT. ASWIND (1) .AND. $ COO (1, 4) .GT. ASWIND (1)) GOTO 900 IF (COO (2, 1) .GT. ASWIND (2) .AND. $ COO (2, 2) .GT. ASWIND (2) .AND. $ COO (2, 3) .GT. ASWIND (2) .AND. $ COO (2, 4) .GT. ASWIND (2)) GOTO 900 END IF C IF (CLIP .GT. 0.0) THEN IF (COO (3, 1) .LT. -CLIP .AND. $ COO (3, 2) .LT. -CLIP .AND. $ COO (3, 3) .LT. -CLIP .AND. $ COO (3, 4) .LT. -CLIP) GOTO 900 IF (COO (3, 1) .GT. CLIP .AND. $ COO (3, 2) .GT. CLIP .AND. $ COO (3, 3) .GT. CLIP .AND. $ COO (3, 4) .GT. CLIP) GOTO 900 END IF C C Join: use only one slot C IF (JOIN) THEN C C Previous plane was clipped; put in its end points before joining C IF (PLACLP) THEN IF (TOTPLA .GE. MAXPLA) $ CALL MABORT ('no space for plane; MAXPLA') TOTPLA = TOTPLA + 1 CALL V3COPY (PLACOO (1, 1, TOTPLA), PREV2) CALL V3COPY (PLACOO (1, 2, TOTPLA), PREV3) END IF C IF (TOTPLA .GE. MAXPLA) $ CALL MABORT ('no space for plane; MAXPLA') TOTPLA = TOTPLA + 1 C C Modify coordinate for previous plane; join end-points that are closest C IF (V3DIFF (COO (1, 1), PLACOO (1, 1, TOTPLA - 1)) .LT. $ V3DIFF (COO (1, 4), PLACOO (1, 1, TOTPLA - 1))) THEN CALL V3ADD (VEC1, COO (1, 1), PLACOO (1, 1, TOTPLA - 1)) CALL V3SCAL (PLACOO (1, 1, TOTPLA - 1), 0.5, VEC1) CALL V3ADD (VEC1, COO (1, 4), PLACOO (1, 2, TOTPLA - 1)) CALL V3SCAL (PLACOO (1, 2, TOTPLA - 1), 0.5, VEC1) ELSE CALL V3ADD (VEC1, COO (1, 4), PLACOO (1, 1, TOTPLA - 1)) CALL V3SCAL (PLACOO (1, 1, TOTPLA - 1), 0.5, VEC1) CALL V3ADD (VEC1, COO (1, 1), PLACOO (1, 2, TOTPLA - 1)) CALL V3SCAL (PLACOO (1, 2, TOTPLA - 1), 0.5, VEC1) END IF C C Plane should not be twisted; swap coordinates if necessary C CALL V3SUBT (VEC1, PLACOO (1, 2, TOTPLA - 1), $ PLACOO (1, 1, TOTPLA - 1)) CALL V3SUBT (VEC2, COO (1, 3), COO (1, 2)) C IF (V3DOT (VEC1, VEC2) .GT. 0.0) THEN CALL V3COPY (PLACOO (1, 1, TOTPLA), COO (1, 2)) CALL V3COPY (PLACOO (1, 2, TOTPLA), COO (1, 3)) ELSE CALL V3COPY (PLACOO (1, 1, TOTPLA), COO (1, 3)) CALL V3COPY (PLACOO (1, 2, TOTPLA), COO (1, 2)) END IF C C No join; use two slots C ELSE IF (TOTPLA + 1 .GE. MAXPLA) $ CALL MABORT ('no space for plane; MAXPLA') TOTPLA = TOTPLA + 2 C CALL V3COPY (PLACOO (1, 1, TOTPLA - 1), COO (1, 1)) CALL V3COPY (PLACOO (1, 1, TOTPLA), COO (1, 2)) CALL V3COPY (PLACOO (1, 2, TOTPLA), COO (1, 3)) CALL V3COPY (PLACOO (1, 2, TOTPLA - 1), COO (1, 4)) END IF C C Plane shading from normal z value, shading coefficient and exponent C PLASHD (TOTPLA) = SHADNG * ABS (ZDIR) **SHDEXP + 1.0 - SHADNG C C Z coordinate for depth sort C ZCOO = MAX (PLACOO (3, 1, TOTPLA - 1), PLACOO (3, 2, TOTPLA - 1), $ PLACOO (3, 1, TOTPLA), PLACOO (3, 2, TOTPLA)) C C Enter plane, with type, primary or secondary C IF (PRIM) THEN CALL GRSEG (PLTYPE, TOTPLA, ZCOO) ELSE CALL GRSEG (- PLTYPE, TOTPLA, ZCOO) END IF C C This plane not clipped; reset flag C PLACLP = .FALSE. C RETURN C C Plane clipped; save end coords, for later joining C 900 PLACLP = .TRUE. CALL V3COPY (PREV2, COO (1, 2)) CALL V3COPY (PREV3, COO (1, 3)) C RETURN END C C C-------------------------------------------------- SUBROUTINE RASPLN (PLANE, PNORM, ZDIR, NPASS) C INCLUDE 'molscript.dim' INCLUDE 'molscript.inc' INCLUDE 'graphics.inc' C REAL PLANE (3, 4), PNORM (3) REAL ZDIR INTEGER NPASS C C PLANE (In) the four corners of the plane C PNORM (In) normal to plane surface C ZDIR (In) eventually passed through to GRPLAN for simplicity C NPASS (In) draw ribbon surface in 1st pass, edges in 2nd pass C C Ethan A Merritt - Nov 1993 C RASPLN is a substitute for GRPLAN to be called in Raster3D mode. C It will construct the pieces of a plane segment with rounded edges C and thickness determined by helixthickness. Properly the endpoints C should be offset by the average of the normals of the two adjacent C surfaces, but that would entail a lot more bookkeeping. Instead I C settle for slightly recessing the surfaces so that the difference C in the surface junctions and the siderail junctions is not noticed. C If helixthickness = 0.0 then simply produce a single plane segment. C C Ethan A Merritt - July 1996 C This is an updated version of RASPLN which fixes a C bug/feature in optimizing alpha helix rendition via Raster3D. C The previous version drew only the front surface of the helix C (to save time and space during rendering), but this had two C drawbacks: C 1) If the SEGMENTS parameter was too small, sometimes there C were pieces of the surface missing at the edges where it C coiled around out of view C 2) Once you created the Raster3D input file from Molscript C you couldn't further rotate the view angles, as you would C then be looking around the back-side of something only C rendered on the front side C The current version has two fixes for these problems: C - The front and back surfaces are overlapped by one segment, C so rendering should be less sensitive to SEGMENTS. C Also very small rotations (e.g. stereo pairs) should be OK. C - Setting HELIXTHICKNESS to a negative value will draw the C back side of the helix surfaces, so two passes though a C helix will allow you to view it later from any angle. C (NB: There will be one incorrectly shaded segment for each C coil of helix, but I hope that is not too noticeable). C C Help variables C REAL SURF (3, 4), OFFSET (3), ONORM (3) SAVE ONORM C C The following hard-wired parameter could be made into a user-setable C parameter, e.g. "set helixrecess yy" C REAL RECESS PARAMETER (RECESS = 0.9) C C Simplest case is zero thickness plane, just pass through to GRPLAN C IF (HELTHK .EQ. 0.0) THEN CALL GRPLAN (PLANE, .FALSE., PL1234, .TRUE., ZDIR) RETURN END IF C C Form sides using cylinders to connect the four corners C IF (NPASS .EQ. 2) THEN CALL GRLINE (PLANE (1,1), PLANE (1,2)) CALL GRLINE (PLANE (1,3), PLANE (1,4)) RETURN END IF C C If either the new or the old segment ends on the front side of the helix, C draw another front side segment C IF (ONORM(3) .GE. 0 .OR. PNORM(3) .GE. 0) THEN CALL V3SCAL (OFFSET, RECESS * HELTHK, ONORM) CALL V3ADD (SURF (1,1), OFFSET, PLANE (1,1) ) CALL V3ADD (SURF (1,4), OFFSET, PLANE (1,4) ) CALL V3SCAL (OFFSET, RECESS * HELTHK, PNORM) CALL V3ADD (SURF (1,2), OFFSET, PLANE (1,2) ) CALL V3ADD (SURF (1,3), OFFSET, PLANE (1,3) ) CALL GRPLAN (SURF, .FALSE., PL1234, .TRUE., ZDIR) END IF C C If either the new or the old segment ends on the back side of the helix, C draw another back side segment C IF (ONORM(3) .LE. 0 .OR. PNORM(3) .LE. 0) THEN CALL V3SCAL (OFFSET, -RECESS * HELTHK, ONORM) CALL V3ADD (SURF (1,1), OFFSET, PLANE (1,1) ) CALL V3ADD (SURF (1,4), OFFSET, PLANE (1,4) ) CALL V3SCAL (OFFSET, -RECESS * HELTHK, PNORM) CALL V3ADD (SURF (1,2), OFFSET, PLANE (1,2) ) CALL V3ADD (SURF (1,3), OFFSET, PLANE (1,3) ) CALL GRPLAN (SURF, .FALSE., PL1234, .TRUE., ZDIR) END IF C C Save plane normal for next time C CALL V3COPY (ONORM, PNORM) C RETURN END C C C------------------------------- SUBROUTINE GRCHPL (NEWTYP) C INCLUDE 'molscript.dim' INCLUDE 'graphics.inc' C INTEGER NEWTYP C C NEWTYP (In) new plane type C C Retain primary or secondary characteristic C C Skip if previous graphical segment is not plane C IF (TOTSEG .EQ. 0) RETURN IF (ABS (SEGTYP (TOTSEG)) .LT. PL1234) RETURN IF (ABS (SEGTYP (TOTSEG)) .GT. PL) RETURN C IF (SEGTYP (TOTSEG) .LT. 0) THEN SEGTYP (TOTSEG) = - NEWTYP ELSE SEGTYP (TOTSEG) = NEWTYP END IF C RETURN END C C C--------------------------------- SUBROUTINE GRLABL (STR, XYZ) C INCLUDE 'molscript.dim' INCLUDE 'graphics.inc' C CHARACTER*(*) STR REAL XYZ (3) C C STR (In) character string C XYZ (In) position C C Ignore if position outside of view C IF (WIND .GT. 0.0 .AND. .NOT. RASTER) THEN IF (XYZ (1) .LT. - ASWIND (1)) RETURN IF (XYZ (1) .GT. ASWIND (1)) RETURN IF (XYZ (2) .LT. - ASWIND (2)) RETURN IF (XYZ (2) .GT. ASWIND (2)) RETURN END IF C IF (CLIP .GT. 0.0) THEN IF (XYZ (3) .LT. -CLIP) RETURN IF (XYZ (3) .GT. CLIP) RETURN END IF C IF (TOTLAB .GE. MAXLAB) CALL MABORT ('no space for label; MAXLAB') C TOTLAB = TOTLAB + 1 LABSTR (TOTLAB) = STR LABLEN (TOTLAB) = LEN (STR) CALL V3ADD (LABCOO (1, TOTLAB), XYZ, LABOFF) C CALL GRSEG (LABEL, TOTLAB, XYZ (3) + LABOFF (3)) C RETURN END C C C------------------------------------------------- SUBROUTINE GRSTIK (ACOO1, ACOO2, RAD1, RAD2) C INCLUDE 'molscript.dim' INCLUDE 'molscript.inc' INCLUDE 'graphics.inc' C REAL ACOO1 (3), ACOO2 (3), RAD1, RAD2 C C ACOO1 (In) atom coordinates C ACOO2 C RAD1 (In) atom radii C RAD2 C C Externally defined functions C REAL V3DIFF C C Help variables C REAL RADIUS, SHORT1, SHORT2 REAL VEC (3), COO1 (3), COO2 (3), PERP (3), PLANE (3, 4) C C Ignore if entirely outside of view C IF (WIND .GT. 0.0 .AND. .NOT. RASTER) THEN IF (ACOO1 (1) .LT. - ASWIND (1) .AND. $ ACOO2 (1) .LT. - ASWIND (1)) RETURN IF (ACOO1 (2) .LT. - ASWIND (2) .AND. $ ACOO2 (2) .LT. - ASWIND (2)) RETURN IF (ACOO1 (1) .GT. ASWIND (1) .AND. $ ACOO2 (1) .GT. ASWIND (1)) RETURN IF (ACOO1 (2) .GT. ASWIND (2) .AND. $ ACOO2 (2) .GT. ASWIND (2)) RETURN END IF C IF (CLIP .GT. 0.0) THEN IF (ACOO1 (3) .LT. -CLIP .AND. $ ACOO2 (3) .LT. -CLIP) RETURN IF (ACOO1 (3) .GT. CLIP .AND. $ ACOO2 (3) .GT. CLIP) RETURN END IF C C Stick vector; skip if hidden by either ball C CALL V3SUBT (VEC, ACOO2, ACOO1) IF (SQRT (VEC (1) **2 + VEC (2) **2) .LE. MIN (RAD1, RAD2)) RETURN CALL V3NORM (VEC, VEC) C C If stick is nearly flat on xy plane, then output as plane C IF (ACOS (ABS (VEC (3))) .GT. 84.0 * TORAD .AND. $ .NOT. RASTER) THEN C C Reduce stick radius somewhat when plane, depending on tapering factor C RADIUS = (1.0 - STKTAP (TOTGST) * 0.2) * STKRAD (TOTGST) C C Shorten stick; skip if negative length C SHORT1 = SQRT (MAX (0.0, RAD1 **2 - RADIUS **2)) SHORT2 = SQRT (MAX (0.0, RAD2 **2 - RADIUS **2)) IF (SHORT1 + SHORT2 .GE. V3DIFF (ACOO1, ACOO2)) RETURN C C Shorten stick end points projected onto xy plane C VEC (3) = 0.0 CALL V3NORM (VEC, VEC) CALL V3SCAL (PERP, SHORT1, VEC) CALL V3ADD (COO1, ACOO1, PERP) CALL V3SCAL (PERP, SHORT2, VEC) CALL V3SUBT (COO2, ACOO2, PERP) C CALL V3CROS (PERP, VEC, Z) CALL V3NORM (PERP, PERP) CALL V3SCAL (PERP, RADIUS, PERP) C CALL V3ADD (PLANE (1, 1), COO1, PERP) CALL V3ADD (PLANE (1, 2), COO2, PERP) CALL V3SUBT (PLANE (1, 3), COO2, PERP) CALL V3SUBT (PLANE (1, 4), COO1, PERP) C C To put plane in correct position for depth sort C PLANE (3, 1) = MAX (ACOO1 (3) + 0.5 * RAD1, $ ACOO2 (3) + 0.5 * RAD2) + 0.001 C CALL GRPLAN (PLANE, .FALSE., PL1234, .TRUE., 1.0) C C Proper stick C ELSE C C Shorten stick; skip if negative length C RADIUS = STKRAD (TOTGST) SHORT1 = SQRT (MAX (0.0, RAD1 **2 - RADIUS **2)) SHORT2 = SQRT (MAX (0.0, RAD2 **2 - RADIUS **2)) IF (SHORT1 + SHORT2 .GE. V3DIFF (ACOO1, ACOO2)) RETURN C IF (TOTSTK .GE. MAXSTK) $ CALL MABORT ('no space for stick; MAXSTK') C TOTSTK = TOTSTK + 1 C C Closest coordinate first C IF (ACOO1 (3) .GT. ACOO2 (3)) THEN CALL V3COPY (STKCOO (1, 1, TOTSTK), ACOO1) CALL V3SCAL (VEC, SHORT2, VEC) CALL V3SUBT (STKCOO (1, 2, TOTSTK), ACOO2, VEC) ELSE CALL V3COPY (STKCOO (1, 1, TOTSTK), ACOO2) CALL V3SCAL (VEC, SHORT1, VEC) CALL V3ADD (STKCOO (1, 2, TOTSTK), ACOO1, VEC) END IF C CALL GRSEG (STICK, TOTSTK, (ACOO1 (3) + 0.5 * RAD1 + $ ACOO2 (3) + 0.5 * RAD2) / 2.0) C END IF C RETURN END C C C--------------------------------------- SUBROUTINE GRSEG (TYPE, NUM, ZCOO) C INCLUDE 'molscript.dim' INCLUDE 'graphics.inc' C INTEGER TYPE, NUM REAL ZCOO C C TYPE (In) segment type C NUM (In) segment number C ZCOO (In) segment z coordinate C IF (TOTSEG .GE. MAXSEG) $ CALL MABORT ('no space for segment; MAXSEG') C TOTSEG = TOTSEG + 1 SEGZ (TOTSEG) = ZCOO C SEGTYP (TOTSEG) = TYPE SEGNUM (TOTSEG) = NUM SEGGST (TOTSEG) = TOTGST C RETURN END C C C---------------------- SUBROUTINE GRPOST C INCLUDE 'molscript.dim' INCLUDE 'molscript.inc' INCLUDE 'graphics.inc' C C Externally defined function C INTEGER GRCOMP EXTERNAL GRCOMP REAL GRDCUE C C Help variables C REAL RVAL, SCALE, FSCALE REAL SHADE (3), DIR (3), VOFF (3), POS (3) INTEGER PTR, SEG, TYP, NUM, GST, SUMPLA, PREV, SLOT, ERRCOD INTEGER SEGPTR (MAXSEG), QSTACK (MAXQST) LOGICAL SYMBOL C C Check if any segments at all C IF (TOTSEG .EQ. 0) CALL MABORT ('no graphical segments to output') C C Set window and slab sizes, if not explicitly set C IF (WIND .LT. 0.0) CALL GRSWIN IF (CLIP .LT. 0.0) CALL GRSCLI C C Compute scale factor from Angstrom to PostScript default unit C IF (ASPECT .GT. 1.0) THEN SCALE = (AREA (3) - AREA (1)) / (2.0 * WIND) ELSE SCALE = (AREA (4) - AREA (2)) / (2.0 * WIND) END IF C C Depth sort; for hidden line/surface removal C DO 100 SEG = 1, TOTSEG SEGPTR (SEG) = SEG 100 CONTINUE CALL QSORTP (SEGPTR, TOTSEG, QSTACK, MAXQST, GRCOMP, ERRCOD) IF (ERRCOD .NE. 0) CALL MABORT ('too small qsort stack; MAXQST') C C Set PostScript state variable values C CALL PSIPAR C C Save PostScript VM state C CALL PSSTR ('/MolScriptPlotSave save def') CALL PSOUT C C Create plot area path C CALL PSREAL (AREA (1), 2) CALL PSREAL (AREA (2), 2) CALL PSSTR ('moveto') CALL PSREAL (AREA (3), 2) CALL PSREAL (AREA (2), 2) CALL PSSTR ('lineto') CALL PSREAL (AREA (3), 2) CALL PSREAL (AREA (4), 2) CALL PSSTR ('lineto') CALL PSREAL (AREA (1), 2) CALL PSREAL (AREA (4), 2) CALL PSSTR ('lineto closepath gsave') CALL PSOUT C C Fill in background colour and set clip path C CALL PSSTR ('gsave') CALL PSCOLR (BCKCOL) CALL PSSTR ('fill grestore') CALL PSOUT CALL PSSTR ('clip newpath') CALL PSOUT C C Set view transformation; cube volume to conserve plane vectors C CALL C3INIT (.TRUE.) CALL C3OPRJ (-WIND, WIND, -WIND, WIND, WIND, -WIND) RVAL = MIN ((AREA (3) - AREA (1)) / 2.0, $ (AREA (4) - AREA (2)) / 2.0) CALL C3SCAL (RVAL, RVAL, RVAL) CALL C3TRAN ((AREA (1) + AREA (3)) / 2.0, $ (AREA (2) + AREA (4)) / 2.0, 0.0) C C Transform coordinates to view coordinate system; not for sticks C DO 200 SEG = 1, TOTLIN CALL C3TRFC (LINCOO (1, 1, SEG)) CALL C3TRFC (LINCOO (1, 2, SEG)) 200 CONTINUE DO 210 SEG = 1, TOTSPH CALL C3TRFC (SPHCOO (1, SEG)) 210 CONTINUE DO 220 SEG = 1, TOTPLA CALL C3TRFC (PLACOO (1, 1, SEG)) CALL C3TRFC (PLACOO (1, 2, SEG)) 220 CONTINUE DO 230 SEG = 1, TOTLAB CALL C3TRFC (LABCOO (1, SEG)) 230 CONTINUE C C Output graphical segments to PostScript C CALL MSGSTR ('writing graphical segments to PostScript output...') CALL MSGOUT C SUMPLA = 0 C DO 1000 PTR = 1, TOTSEG C C Get segment and its number and graphics state from pointer C SEG = SEGPTR (PTR) TYP = SEGTYP (SEG) NUM = SEGNUM (SEG) GST = SEGGST (SEG) C C Jump to segment output; ignore primary or secondary C GOTO (1, 2, 3, 3, 3, 3, 3, 8, 9) ABS (TYP) C CALL ERROR ('internal') CALL MSGSTR ('unknown graphical segment in GRPOST') CALL MSGINT (TYP) CALL MSGOUT CALL MABORT (' ') C C Line; apply depth cue to line width C 1 CALL PSSLWD (GRDCUE (SEGZ (SEG), GST, .FALSE.) * LINEWD (GST), $ LINDSH (GST)) CALL PSSLNC (LINCOL (1, GST)) C CALL PSREAL (LINCOO (1, 1, NUM), 2) CALL PSREAL (LINCOO (2, 1, NUM), 2) CALL PSREAL (LINCOO (1, 2, NUM), 2) CALL PSREAL (LINCOO (2, 2, NUM), 2) CALL PSSTR ('Line') GOTO 8000 C C Sphere; apply depth cue to line width and fill colour C 2 CALL PSSLWD (GRDCUE (SEGZ (SEG), GST, .FALSE.) * LINEWD (GST), $ LINDSH (GST)) CALL PSSLNC (LINCOL (1, GST)) C CALL GRSHAD (SHADE, SPHCOL (1, NUM), $ GRDCUE (SEGZ (SEG), GST, .TRUE.)) CALL PSSPHC (SHADE) C CALL PSREAL (SPHCOO (1, NUM), 2) CALL PSREAL (SPHCOO (2, NUM), 2) C C Convert radius into view coordinate system length C CALL PSREAL (SCALE * SPHRAD (NUM), 2) CALL PSSTR ('Sphere') GOTO 8000 C C Plane segment; apply depth cue to line width C 3 CALL PSSLWD (GRDCUE (SEGZ (SEG), GST, .FALSE.) * LINEWD (GST), $ LINDSH (GST)) CALL PSSLNC (LINCOL (1, GST)) C C Shade colour; primary or secondary colour from sign of segment type C IF (TYP .GT. 0) THEN CALL GRSHAD (SHADE, PLPCOL (1, GST), PLASHD (NUM)) ELSE CALL GRSHAD (SHADE, PLSCOL (1, GST), PLASHD (NUM)) END IF C C Apply depth cue to shade colour C CALL GRSHAD (SHADE, SHADE, GRDCUE (SEGZ (SEG), GST, .TRUE.)) CALL PSSPLC (SHADE) C C Order fits definition of Plane procedure; reverse of 1, 2, 3, 4 C CALL PSREAL (PLACOO (1, 2, NUM - 1), 2) CALL PSREAL (PLACOO (2, 2, NUM - 1), 2) CALL PSREAL (PLACOO (1, 2, NUM), 2) CALL PSREAL (PLACOO (2, 2, NUM), 2) CALL PSREAL (PLACOO (1, 1, NUM), 2) CALL PSREAL (PLACOO (2, 1, NUM), 2) CALL PSREAL (PLACOO (1, 1, NUM - 1), 2) CALL PSREAL (PLACOO (2, 1, NUM - 1), 2) C C Decide which plane definition to use based on type C TYP = ABS (TYP) IF (TYP .EQ. PL1234) THEN CALL PSSTR ('Pl1234') ELSE IF (TYP .EQ. PL13) THEN CALL PSSTR ('Pl13') ELSE IF (TYP .EQ. PL123) THEN CALL PSSTR ('Pl123') ELSE IF (TYP .EQ. PL134) THEN CALL PSSTR ('Pl134') ELSE IF (TYP .EQ. PL) THEN CALL PSSTR ('Plane') ELSE CALL MABORT ('internal: no such plane type') END IF SUMPLA = SUMPLA + 1 GOTO 8000 C C Label; postpone output if not to be clipped C 8 IF (.NOT. LABCLP (GST)) GOTO 8000 C C Linecolour applies to characters, depth cue to font scale C CALL PSSLNC (LINCOL (1, GST)) FSCALE = GRDCUE (SEGZ (SEG), GST, .FALSE.) * LABSIZ (GST) C C No change/lowcase/upcase according to mask C DO 1800 SLOT = 1, LABLEN (NUM) PREV = MOD (LABMSK (SLOT, GST), 3) IF (PREV .EQ. 1) THEN CALL SLOCAS (LABSTR (NUM) (SLOT : SLOT)) ELSE IF (PREV .EQ. 2) THEN CALL SUPCAS (LABSTR (NUM) (SLOT : SLOT)) END IF 1800 CONTINUE C C Position and rotation for label; approximate that both fonts are same C CALL PSCPOS (LABSTR (NUM) (: LABLEN (NUM)), FSCALE, $ LABCOO (1, NUM), LABCTR (GST), LABROT (GST)) C C Print label using font according to mask C PREV = 1 SYMBOL = LABMSK (1, GST) / 3 .EQ. 1 C C Output only when change of font C DO 1810 SLOT = 2, LABLEN (NUM) IF (LABMSK (SLOT, GST) / 3 .EQ. 1 .NEQV. SYMBOL) THEN CALL PSPRNT (LABSTR (NUM) (PREV : SLOT - 1), FSCALE, SYMBOL) SYMBOL = .NOT. SYMBOL PREV = SLOT END IF 1810 CONTINUE C C Output last string and remove rotation, if any C CALL PSPRNT (LABSTR (NUM) (PREV : LABLEN (NUM)), FSCALE, SYMBOL) IF (LABROT (GST)) CALL PSSTR ('grestore') GOTO 8000 C C Stick; compute direction vector C 9 CALL V3SUBT (DIR, STKCOO (1, 2, NUM), STKCOO (1, 1, NUM)) CALL V3NORM (DIR, DIR) C C Compute perpendicular vector C CALL V3CROS (VOFF, Z, DIR) CALL V3NORM (VOFF, VOFF) RVAL = SCALE * STKRAD (GST) CALL V3SCAL (VOFF, RVAL, VOFF) C C Transform coordinates C CALL C3TRFC (STKCOO (1, 1, NUM)) CALL C3TRFC (STKCOO (1, 2, NUM)) C C Apply depth cue to linewidth; apply linecolour C CALL PSSLWD (GRDCUE (SEGZ (SEG), GST, .FALSE.) * LINEWD (GST), $ LINDSH (GST)) CALL PSSLNC (LINCOL (1, GST)) C C Output elliptic arc part of stick; tapering off C CALL PSREAL (STKCOO (1, 2, NUM), 2) CALL PSREAL (STKCOO (2, 2, NUM), 2) CALL PSREAL (RVAL * ((1.0 - STKTAP (GST)) + $ STKTAP (GST) * ACOS (ABS (DIR (3))) / $ (90.0 * TORAD)), 2) RVAL = DIR (1) / SQRT (DIR (1) **2 + DIR (2) **2) IF (DIR (2) .GE. 0.0) THEN CALL PSREAL (ACOS (RVAL) / TORAD, 2) ELSE CALL PSREAL (360.0 - ACOS (RVAL) / TORAD, 2) END IF CALL PSREAL (ABS (DIR (3)), 2) C C Output straight line part of stick, and make path C CALL V3SUBT (POS, STKCOO (1, 1, NUM), VOFF) CALL PSREAL (POS (1), 2) CALL PSREAL (POS (2), 2) CALL V3ADD (POS, STKCOO (1, 1, NUM), VOFF) CALL PSREAL (POS (1), 2) CALL PSREAL (POS (2), 2) CALL PSSTR ('Stickpath') CALL PSOUT C C Fill colour from primary plane; apply depth cue C CALL GRSHAD (SHADE, PLPCOL (1, GST), $ GRDCUE (SEGZ (SEG), GST, .TRUE.)) CALL PSSPLC (SHADE) C C Finish stick; fill and stroke stick C CALL PSSTR ('Stickfill') GOTO 8000 C 8000 CALL PSOUT C 1000 CONTINUE C C Output those labels that are not to be clipped C DO 2000 PTR = 1, TOTSEG C C Get segment and its number and graphics state from pointer C SEG = SEGPTR (PTR) TYP = SEGTYP (SEG) NUM = SEGNUM (SEG) GST = SEGGST (SEG) C C Skip if not label, and clipped C IF (TYP .NE. LABEL) GOTO 2000 IF (LABCLP (GST)) GOTO 2000 C C Linecolour applies, depth cue applies to font scale C CALL PSSLNC (LINCOL (1, GST)) FSCALE = GRDCUE (SEGZ (SEG), GST, .FALSE.) * LABSIZ (GST) C C No change/lowcase/upcase according to mask C DO 2800 SLOT = 1, LABLEN (NUM) PREV = MOD (LABMSK (SLOT, GST), 3) IF (PREV .EQ. 1) THEN CALL SLOCAS (LABSTR (NUM) (SLOT : SLOT)) ELSE IF (PREV .EQ. 2) THEN CALL SUPCAS (LABSTR (NUM) (SLOT : SLOT)) END IF 2800 CONTINUE C C Position and rotation for label; approximate that both fonts are same C CALL PSCPOS (LABSTR (NUM) (: LABLEN (NUM)), FSCALE, $ LABCOO (1, NUM), LABCTR (GST), LABROT (GST)) C C Print label using font according to mask C PREV = 1 SYMBOL = LABMSK (1, GST) / 3 .EQ. 1 C C Output only when change of font C DO 2810 SLOT = 2, LABLEN (NUM) IF (LABMSK (SLOT, GST) / 3 .EQ. 1 .NEQV. SYMBOL) THEN CALL PSPRNT (LABSTR (NUM) (PREV : SLOT - 1), FSCALE, SYMBOL) SYMBOL = .NOT. SYMBOL PREV = SLOT END IF 2810 CONTINUE C C Output last string and remove rotation, if any C CALL PSPRNT (LABSTR (NUM) (PREV : LABLEN (NUM)), FSCALE, SYMBOL) IF (LABROT (GST)) CALL PSSTR ('grestore') CALL PSOUT 2000 CONTINUE C C Output frame, if any C IF (FRAME) THEN CALL PSSTR ('grestore stroke') ELSE CALL PSSTR ('grestore newpath') END IF CALL PSOUT C C Reset PostScript VM state C CALL PSSTR ('MolScriptPlotSave restore') CALL PSOUT C C Update bounding box; irrelevant if Encapsulated PostScript C BOUBOX (1) = MIN (BOUBOX (1), AREA (1)) BOUBOX (2) = MIN (BOUBOX (2), AREA (2)) BOUBOX (3) = MAX (BOUBOX (3), AREA (3)) BOUBOX (4) = MAX (BOUBOX (4), AREA (4)) C C Info on output segments C CALL MSGINT (TOTLIN) CALL MSGSTR ('lines,') CALL MSGINT (TOTSPH) CALL MSGSTR ('spheres,') CALL MSGINT (SUMPLA) CALL MSGSTR ('planes,') CALL MSGINT (TOTSTK) CALL MSGSTR ('sticks and') CALL MSGINT (TOTLAB) CALL MSGSTR ('labels written') CALL MSGOUT C RETURN END C C C---------------------- SUBROUTINE GRRAST C INCLUDE 'molscript.dim' INCLUDE 'molscript.inc' INCLUDE 'graphics.inc' C C Externally defined function C REAL GRDCUE C C Help variables C REAL RVAL, SCALE REAL SHADE (3) INTEGER PTR, SEG, TYP, NUM, GST, SUMPLA INTEGER SEGPTR (MAXSEG) C C Set window and slab sizes, if not explicitly set C IF (WIND .LT. 0.0) CALL GRSWIN IF (CLIP .LT. 0.0) CALL GRSCLI C C Compute scale factor from Angstrom to output units C IF (ASPECT .GT. 1.0) THEN SCALE = (AREA (3) - AREA (1)) / (2.0 * WIND) ELSE SCALE = (AREA (4) - AREA (2)) / (2.0 * WIND) END IF C C Set view transformation; cube volume to conserve plane vectors C CALL C3INIT (.TRUE.) CALL C3OPRJ (-WIND, WIND, -WIND, WIND, WIND, -WIND) RVAL = MIN ((AREA (3) - AREA (1)) / 2.0, $ (AREA (4) - AREA (2)) / 2.0) CALL C3SCAL (RVAL, RVAL, RVAL) CALL C3TRAN ((AREA (1) + AREA (3)) / 2.0, $ (AREA (2) + AREA (4)) / 2.0, 0.0) C C Set up segment pointers C DO 100 SEG = 1, TOTSEG SEGPTR (SEG) = SEG 100 CONTINUE C C Transform coordinates to view coordinate system C DO 200 SEG = 1, TOTSPH CALL C3TRFC (SPHCOO (1, SEG)) 200 CONTINUE DO 210 SEG = 1, TOTPLA CALL C3TRFC (PLACOO (1, 1, SEG)) CALL C3TRFC (PLACOO (1, 2, SEG)) 210 CONTINUE C C Also sticks and lines for Raster3D v2.0 (Ethan Merritt) C DO 220 SEG = 1, TOTSTK CALL C3TRFC (STKCOO (1, 1, SEG)) CALL C3TRFC (STKCOO (1, 2, SEG)) 220 CONTINUE DO 230 SEG = 1, TOTLIN CALL C3TRFC (LINCOO (1, 1, SEG)) CALL C3TRFC (LINCOO (1, 2, SEG)) 230 CONTINUE C C Output graphical segments Raster3D file C CALL MSGSTR ('writing graphical segments to Raster3D output...') CALL MSGOUT C SUMPLA = 0 C DO 1000 PTR = 1, TOTSEG C C Get segment and its number and graphics state from pointer C SEG = SEGPTR (PTR) TYP = SEGTYP (SEG) NUM = SEGNUM (SEG) GST = SEGGST (SEG) C C Jump to segment output; ignore primary or secondary C GOTO (1, 2, 3, 3, 3, 3, 3, 8, 9) ABS (TYP) C CALL ERROR ('internal') CALL MSGSTR ('unknown graphical segment in GRRAST') CALL MSGINT (TYP) CALL MSGOUT CALL MABORT (' ') C C Lines are usually output as round-ended cylinders C a negative value for the line width flags use of a flat-ended cylinder instead C 1 CONTINUE RVAL = SCALE * LINEWD (GST) IF (RVAL.GE.0) THEN CALL PSSTR ('3') ELSE RVAL = -RVAL CALL PSSTR ('5') ENDIF CALL PSOUT C C Output start point and radius C CALL PSREAL (LINCOO (1, 1, NUM), 6) CALL PSREAL (LINCOO (2, 1, NUM), 6) CALL PSREAL (LINCOO (3, 1, NUM), 6) CALL PSREAL (RVAL, 6) C C Output end point and residue C CALL PSREAL (LINCOO (1, 2, NUM), 6) CALL PSREAL (LINCOO (2, 2, NUM), 6) CALL PSREAL (LINCOO (3, 2, NUM), 6) CALL PSREAL (RVAL, 6) C C Line colour from primary line, RGB, depth cue; C square component values to match behaviour of Raster3D C CALL GRSHAD (SHADE, LINCOL (1, GST), $ GRDCUE (SEGZ (SEG), GST, .TRUE.)) CALL PSREAL (SHADE (1) **2, 4) CALL PSREAL (SHADE (2) **2, 4) CALL PSREAL (SHADE (3) **2, 4) GOTO 8000 C C Sphere C 2 CALL PSSTR ('2') CALL PSOUT C CALL PSREAL (SPHCOO (1, NUM), 6) CALL PSREAL (SPHCOO (2, NUM), 6) CALL PSREAL (SPHCOO (3, NUM), 6) C C Convert radius into view coordinate system length C CALL PSREAL (SCALE * SPHRAD (NUM), 6) C C Sphere colour, RGB; depth cue C square component values to match behaviour of Raster3D C CALL GRSHAD (SHADE, SPHCOL (1, NUM), $ GRDCUE (SEGZ (SEG), GST, .TRUE.)) CALL PSREAL (SHADE (1) **2, 4) CALL PSREAL (SHADE (2) **2, 4) CALL PSREAL (SHADE (3) **2, 4) GOTO 8000 C C Plane segment; depth cue colour; C square component values to match behaviour of Raster3D C 3 IF (TYP .GT. 0) THEN CALL GRSHAD (SHADE, PLPCOL (1, GST), $ GRDCUE (SEGZ (SEG), GST, .TRUE.)) ELSE CALL GRSHAD (SHADE, PLSCOL (1, GST), $ GRDCUE (SEGZ (SEG), GST, .TRUE.)) END IF SHADE (1) = SHADE (1) **2 SHADE (2) = SHADE (2) **2 SHADE (3) = SHADE (3) **2 C C Output as two triangles C CALL PSSTR ('1') CALL PSOUT CALL PSREAL (PLACOO (1, 1, NUM - 1), 6) CALL PSREAL (PLACOO (2, 1, NUM - 1), 6) CALL PSREAL (PLACOO (3, 1, NUM - 1), 6) CALL PSREAL (PLACOO (1, 2, NUM - 1), 6) CALL PSREAL (PLACOO (2, 2, NUM - 1), 6) CALL PSREAL (PLACOO (3, 2, NUM - 1), 6) CALL PSREAL (PLACOO (1, 1, NUM), 6) CALL PSREAL (PLACOO (2, 1, NUM), 6) CALL PSREAL (PLACOO (3, 1, NUM), 6) C CALL PSREAL (SHADE (1), 4) CALL PSREAL (SHADE (2), 4) CALL PSREAL (SHADE (3), 4) CALL PSOUT C CALL PSSTR ('1') CALL PSOUT CALL PSREAL (PLACOO (1, 2, NUM - 1), 6) CALL PSREAL (PLACOO (2, 2, NUM - 1), 6) CALL PSREAL (PLACOO (3, 2, NUM - 1), 6) CALL PSREAL (PLACOO (1, 1, NUM), 6) CALL PSREAL (PLACOO (2, 1, NUM), 6) CALL PSREAL (PLACOO (3, 1, NUM), 6) CALL PSREAL (PLACOO (1, 2, NUM), 6) CALL PSREAL (PLACOO (2, 2, NUM), 6) CALL PSREAL (PLACOO (3, 2, NUM), 6) C CALL PSREAL (SHADE (1), 4) CALL PSREAL (SHADE (2), 4) CALL PSREAL (SHADE (3), 4) C SUMPLA = SUMPLA + 2 GOTO 8000 C C Label; not implemented C 8 CALL MABORT ('internal: tried to output label to Raster3D file') C C Stick C 9 CALL PSSTR ('3') CALL PSOUT C C Output start point and radius C CALL PSREAL (STKCOO (1, 1, NUM), 6) CALL PSREAL (STKCOO (2, 1, NUM), 6) CALL PSREAL (STKCOO (3, 1, NUM), 6) RVAL = SCALE * STKRAD (GST) CALL PSREAL (RVAL, 6) C C Output end point and radius C CALL PSREAL (STKCOO (1, 2, NUM), 6) CALL PSREAL (STKCOO (2, 2, NUM), 6) CALL PSREAL (STKCOO (3, 2, NUM), 6) CALL PSREAL (RVAL, 6) C C Stick colour from primary plane, RGB; depth cue; C square component values to match behaviour of Raster3D C CALL GRSHAD (SHADE, PLPCOL (1, GST), $ GRDCUE (SEGZ (SEG), GST, .TRUE.)) CALL PSREAL (SHADE (1) **2, 4) CALL PSREAL (SHADE (2) **2, 4) CALL PSREAL (SHADE (3) **2, 4) GOTO 8000 C 8000 CALL PSOUT C 1000 CONTINUE C CALL MSGINT (TOTLIN) CALL MSGSTR ('lines,') CALL MSGINT (TOTSPH) CALL MSGSTR ('spheres,') CALL MSGINT (SUMPLA) CALL MSGSTR ('planes and ') CALL MSGINT (TOTSTK) CALL MSGSTR ('sticks written') CALL MSGOUT C RETURN END C C C----------------------------------------- INTEGER FUNCTION GRCOMP (SEG1, SEG2) C INCLUDE 'molscript.dim' INCLUDE 'graphics.inc' C INTEGER SEG1, SEG2 C C SEG (In) segments C IF (SEGZ (SEG1) .LT. SEGZ (SEG2)) THEN GRCOMP = -1 ELSE IF (SEGZ (SEG1) .GT. SEGZ (SEG2)) THEN GRCOMP = 1 ELSE GRCOMP = 0 END IF C RETURN END C C C--------------------------------------------- REAL FUNCTION GRDCUE (ZCOO, GST, COLOUR) C INCLUDE 'molscript.dim' INCLUDE 'graphics.inc' C REAL ZCOO INTEGER GST LOGICAL COLOUR C C ZCOO (In) z coordinate C GST (In) graphics state slot C COLOUR (In) colour shading depth cue, otherwise general C C Clip slab not yet determined; no depth cue C IF (CLIP .LE. 0.0) THEN GRDCUE = 1.0 C C Colour shading depth cue; positive or negative C ELSE IF (COLOUR) THEN IF (DCCOLR (GST) .GE. 0.0) THEN GRDCUE = (MIN (1.0, MAX (-1.0, ZCOO / CLIP)) / 2.0 + 0.5) * $ DCCOLR (GST) + 1.0 - DCCOLR (GST) ELSE GRDCUE = (MIN (1.0, MAX (-1.0, - ZCOO / CLIP)) / 2.0 + 0.5) * $ (- DCCOLR (GST)) + 1.0 + DCCOLR (GST) END IF C C General depth cue C ELSE GRDCUE = (MIN (1.0, MAX (-1.0, ZCOO / CLIP)) / 2.0 + 0.5) * $ DCUEFC (GST) + 1.0 - DCUEFC (GST) END IF C RETURN END C C C---------------------------------------------- SUBROUTINE GRSHAD (SHADE, COLOUR, FACTOR) C REAL SHADE (3), COLOUR (3), FACTOR C C SHADE (In) shaded colour C COLOUR (In) colour, RGB or HSB C FACTOR (In) shading factor C C HSB specification; change brightness C IF (COLOUR (1) .GE. 10.0) THEN CALL V3COPY (SHADE, COLOUR) SHADE (3) = SHADE (3) * FACTOR C C RGB specification; shade proportionally C ELSE CALL V3SCAL (SHADE, FACTOR, COLOUR) END IF C RETURN END C C C---------------------- SUBROUTINE GRSWIN C INCLUDE 'molscript.dim' INCLUDE 'graphics.inc' C C Help variables C INTEGER SEG, NUM, GST REAL ASP1, ASP2 C C Compute aspect ratio factors for window C IF (ASPECT .GE. 1.0) THEN ASP1 = 1.0 ASP2 = 1.0 / ASPECT ELSE ASP1 = ASPECT ASP2 = 1.0 END IF C C Loop through all segments C DO 100 SEG = 1, TOTSEG C NUM = SEGNUM (SEG) GST = SEGGST (SEG) C C Jump to segment type; ignore primary or secondary C GOTO (1, 2, 3, 3, 3, 3, 3, 8, 9) ABS (SEGTYP (SEG)) C CALL ERROR ('internal') CALL MSGSTR ('unknown graphical segment in GRSWIN') CALL MSGINT (SEGTYP (SEG)) CALL MSGOUT CALL MABORT (' ') C C Line C 1 WIND = MAX (WIND, ASP1 * ABS (LINCOO (1, 1, NUM)), $ ASP2 * ABS (LINCOO (2, 1, NUM))) WIND = MAX (WIND, ASP1 * ABS (LINCOO (1, 2, NUM)), $ ASP2 * ABS (LINCOO (2, 2, NUM))) GOTO 100 C C Sphere C 2 WIND = MAX (WIND, ASP1 * (ABS (SPHCOO (1, NUM)) + SPHRAD (NUM)), $ ASP2 * (ABS (SPHCOO (2, NUM)) + SPHRAD (NUM))) GOTO 100 C C Plane or plane segment C 3 WIND = MAX (WIND, ASP1 * ABS (PLACOO (1, 1, NUM - 1)), $ ASP2 * ABS (PLACOO (2, 1, NUM - 1))) WIND = MAX (WIND, ASP1 * ABS (PLACOO (1, 2, NUM - 1)), $ ASP2 * ABS (PLACOO (2, 2, NUM - 1))) WIND = MAX (WIND, ASP1 * ABS (PLACOO (1, 1, NUM)), $ ASP2 * ABS (PLACOO (2, 1, NUM))) WIND = MAX (WIND, ASP1 * ABS (PLACOO (1, 2, NUM)), $ ASP2 * ABS (PLACOO (2, 2, NUM))) GOTO 100 C C Label C 8 WIND = MAX (WIND, ASP1 * ABS (LABCOO (1, NUM)), $ ASP2 * ABS (LABCOO (2, NUM))) GOTO 100 C C Stick ignored; has always two spheres attached to it C 9 GOTO 100 C 100 CONTINUE C C Make fit less snug C WIND = WIND + 2.0 C CALL MSGSTR ('setting window to') CALL MSGREL (2.0 * WIND, 2) CALL MSGOUT C RETURN END C C C---------------------- SUBROUTINE GRSCLI C INCLUDE 'molscript.dim' INCLUDE 'graphics.inc' C C Help variables C INTEGER SEG, NUM, GST C C Loop through all segments C DO 100 SEG = 1, TOTSEG C NUM = SEGNUM (SEG) GST = SEGGST (SEG) C C Jump to segment type; ignore primary or secondary C GOTO (1, 2, 3, 3, 3, 3, 3, 8, 9) ABS (SEGTYP (SEG)) C CALL ERROR ('internal') CALL MSGSTR ('unknown graphical segment in GRSCLI') CALL MSGINT (SEGTYP (SEG)) CALL MSGOUT CALL MABORT (' ') C C Line C 1 CLIP = MAX (CLIP, ABS (LINCOO (3, 1, NUM))) CLIP = MAX (CLIP, ABS (LINCOO (3, 2, NUM))) GOTO 100 C C Sphere C 2 CLIP = MAX (CLIP, ABS (SPHCOO (3, NUM)) + SPHRAD (NUM)) GOTO 100 C C Plane or plane segment C 3 CLIP = MAX (CLIP, ABS (PLACOO (3, 1, NUM - 1))) CLIP = MAX (CLIP, ABS (PLACOO (3, 2, NUM - 1))) CLIP = MAX (CLIP, ABS (PLACOO (3, 1, NUM))) CLIP = MAX (CLIP, ABS (PLACOO (3, 2, NUM))) GOTO 100 C C Label C 8 CLIP = MAX (CLIP, ABS (LABCOO (3, NUM))) GOTO 100 C C Stick ignored; has always two spheres attached to it C 9 GOTO 100 C 100 CONTINUE C CALL MSGSTR ('setting slab to') CALL MSGREL (2.0 * CLIP, 2) CALL MSGOUT C RETURN END Raster3D_3.0-2/./molscript/raspln.f0000664000471100047110000001063111327673235017015 0ustar merrittmerrittC-------------------------------------------------- SUBROUTINE RASPLN (PLANE, PNORM, ZDIR, NPASS) C INCLUDE 'molscript.dim' INCLUDE 'molscript.inc' INCLUDE 'graphics.inc' C REAL PLANE (3, 4), PNORM (3) REAL ZDIR INTEGER NPASS C C PLANE (In) the four corners of the plane C PNORM (In) normal to plane surface C ZDIR (In) eventually passed through to GRPLAN for simplicity C NPASS (In) draw ribbon surface in 1st pass, edges in 2nd pass, C R3DOPT>0 will cause a 3rd pass to draw the back surface C C Ethan A Merritt - Nov 1993 C RASPLN is a substitute for GRPLAN to be called in Raster3D mode. C It will construct the pieces of a plane segment with rounded edges C and thickness determined by helixthickness. Properly the endpoints C should be offset by the average of the normals of the two adjacent C surfaces, but that would entail a lot more bookkeeping. Instead I C settle for slightly recessing the surfaces so that the difference C in the surface junctions and the siderail junctions is not noticed. C If helixthickness = 0.0 then simply produce a single plane segment. C C Ethan A Merritt - August 1996 C This is an updated version of RASPLN which fixes a C bug/feature in optimizing alpha helix rendition via Raster3D. C The previous version drew only the front surface of the helix C (to save time and space during rendering), but this had two C drawbacks: C 1) If the SEGMENTS parameter was too small, sometimes there C were pieces of the surface missing at the edges where it C coiled around out of view C 2) Once you created the Raster3D input file from Molscript C you couldn't further rotate the view angles, as you would C then be looking around the back-side of something only C rendered on the front side C The current version has two fixes for these problems: C - The front and back surfaces are overlapped by one segment, C so rendering should be less sensitive to SEGMENTS. C Also very small rotations (e.g. stereo pairs) should be OK. C - Setting R3DOPT = 1 will cause this routine to draw both C helix surfaces, so you can view it later from any angle. C This requires a third pass through the code in the HELIX C routine of schematic.f C C Help variables C REAL SURF (3, 4), OFFSET (3), ONORM (3) SAVE ONORM C C The following hard-wired parameter could be made into a user-setable C parameter, e.g. "set helixrecess yy" C REAL RECESS PARAMETER (RECESS = 0.9) INTEGER R3DOPT PARAMETER (R3DOPT = 0) C C Simplest case is zero thickness plane, just pass through to GRPLAN C IF (HELTHK .EQ. 0.0) THEN CALL GRPLAN (PLANE, .FALSE., PL1234, .TRUE., ZDIR) RETURN END IF C C Form sides using cylinders to connect the four corners C IF (NPASS .EQ. 2 .AND. HELTHK .GT. 0) THEN CALL GRLINE (PLANE (1,1), PLANE (1,2)) CALL GRLINE (PLANE (1,3), PLANE (1,4)) RETURN END IF C C If R3DOPT = 1, draw front surface of the helix during the first pass. C Otherwise if either the new or the old segment ends on the front side C of the helix, draw another front side segment. C IF (NPASS .EQ. 1) THEN IF ( (R3DOPT.GT.0 ) & .OR. (ONORM(3).GE.0 .OR. PNORM(3).GE.0) ) THEN CALL V3SCAL (OFFSET, RECESS * HELTHK, ONORM) CALL V3ADD (SURF (1,1), OFFSET, PLANE (1,1) ) CALL V3ADD (SURF (1,4), OFFSET, PLANE (1,4) ) CALL V3SCAL (OFFSET, RECESS * HELTHK, PNORM) CALL V3ADD (SURF (1,2), OFFSET, PLANE (1,2) ) CALL V3ADD (SURF (1,3), OFFSET, PLANE (1,3) ) CALL GRPLAN (SURF, .FALSE., PL1234, .TRUE., ZDIR) END IF END IF C C If R3DOPT = 1, draw back surface of the helix during the third pass. C Otherwise, if either the new or the old segment ends on the back side C of the helix, draw another back side segment. C IF ( (R3DOPT.GT.0 .AND. NPASS.EQ.3) & .OR. (ONORM(3).LE.0 .OR. PNORM(3).LE.0) ) THEN CALL V3SCAL (OFFSET, -RECESS * HELTHK, ONORM) CALL V3ADD (SURF (1,1), OFFSET, PLANE (1,1) ) CALL V3ADD (SURF (1,4), OFFSET, PLANE (1,4) ) CALL V3SCAL (OFFSET, -RECESS * HELTHK, PNORM) CALL V3ADD (SURF (1,2), OFFSET, PLANE (1,2) ) CALL V3ADD (SURF (1,3), OFFSET, PLANE (1,3) ) CALL GRPLAN (SURF, .FALSE., PL1234, .TRUE., ZDIR) END IF C C Save plane normal for next time C CALL V3COPY (ONORM, PNORM) C RETURN END Raster3D_3.0-2/./examples/0000775000471100047110000000000011522570626015145 5ustar merrittmerrittRaster3D_3.0-2/./examples/Makefile0000664000471100047110000000666211502534636016616 0ustar merrittmerritt.SUFFIXES: .png .NOTPARALLEL: all: examples EXAMPLES = example1.png example2.png example3.png example4.png example5.png \ example6_draft.png example6_aa.png example6.png example6_alpha.png \ example7.png example8.png example9.png DIFFS = $(EXAMPLES:%.png=%_diff.png) compare: $(DIFFS) $(DIFFS): %_diff.png: %.png reference/%.png compare -metric PSNR $^ $@ save_reference: $(EXAMPLES) mkdir -p reference cp -f $(EXAMPLES) reference/ # If it doesn't exist, just use the normal version ../render_small: ln -s render ../render_small examples: $(EXAMPLES) example1.png: ../render_small R3D_LIB=../materials ../render_small -gamma 1.1 -png example1.png < example1.r3d example2.png: ../render_small ../balls ../rods cat header2.r3d plane.r3d > example2.r3d cat chaincolours.pdb LT.pdb | ../balls -h >> example2.r3d cat sugarcolours.pdb sugars.pdb | ../rods -h >> example2.r3d ../render_small -png example2.png < example2.r3d rm -f example2.r3d example3.png: ../render_small ../render_small -png example3.png < example3.r3d example4.png: ../render_small molscript -r < example3.mol | ../render_small -png example4.png example5.png: ../render_small ../render_small -png example5.png < example5.r3d example6_draft.png: ../render_small R3D_LIB=../materials ../render_small -size 345x345 -draft -png example6_draft.png < example6.r3d example6_aa.png: ../render_small R3D_LIB=../materials ../render_small -size 345x345 -aa -png example6_aa.png < example6.r3d example6.png: ../render_small R3D_LIB=../materials ../render_small -size 345x345 -png example6.png < example6.r3d example6_alpha.png: ../render_small R3D_LIB=../materials ../render_small -size 345x345 -alpha -png example6_alpha.png < example6.r3d example7.png: ../stereo3d ../render PATH=../:$$PATH ../stereo3d -png < example7.r3d | convert -resize 50% png:- example7.png example8.png: ../balls ../ribbon ../stereo3d ../render cat header8.r3d > example8.r3d grep ' [DEFGH] ' LT.pdb | cat chaincolours.pdb - | ../balls -h >> example8.r3d grep ' C ' LT.pdb | ../ribbon -h -d1 >> example8.r3d PATH=../:$$PATH ../stereo3d -png < example8.r3d | convert -gamma 1.2 png:- example8.png rm -f example8.r3d example9.png: ../rods ../rastep rm -rf setup.angles setup.matrix temp.tmp ../rods < sugarG.pdb | render | convert -resize 50%x50% png:- example9a.png ../rastep < sugarG.pdb | render | convert -resize 50%x50% png:- example9b.png ../rastep -fancy2 -prob 30 < sugarG.pdb | render | convert -resize 50%x50% png:- example9c.png ../rastep -fancy3 < sugarG.pdb | render | convert -resize 50%x50% png:- example9d.png ../rastep -Bcolor 6. 26. < sugarG.pdb | render | convert -resize 50%x50% png:- example9e.png ../rastep -fancy6 -Bcolor 6. 26. < sugarG.pdb | render | convert -resize 50%x50% png:- example9f.png montage -bordercolor black -borderwidth 1 -geometry 100%x100%+0+0 \ -label "GM1-OS" example9a.png \ -label "50% probability" example9b.png \ -label "fancy2 30% probability" example9c.png \ -label "fancy3" example9d.png \ -label "colored by B value" example9e.png \ -label "fancy6 for ORTEP lovers" example9f.png \ example9_labels.png montage -gamma 1.0 -geometry 100%x100%+0+0 \ example9a.png example9b.png example9c.png \ example9d.png example9e.png example9f.png \ example9.png #rm -f example9[abcdef].png clean: rm -f $(EXAMPLES) $(DIFFS) rm -f example2.r3d example8.r3d example9[abcdef].png example9_labels.png rm -rf reference Raster3D_3.0-2/./examples/header4.r3d0000664000471100047110000000076411327673235017105 0ustar merrittmerrittGalactose binding site in E coli heat-labile enterotoxin 64 64 tiles in x,y 12 12 pixels (x,y) per tile 4 3x3 virtual pixels -> 2x2 pixels 0 0 0 black background colour F no shadows cast 25 Phong power 0.20 secondary light contribution 0.05 ambient light contribution 0.25 specular reflection component 0.0 EYEPOS = 0 disables perspective 1 1 1 main light source position 1 0 0 0 0 1 0 0 0 0 1 0 0 0 0 1.0 3 mixed objects * * * Raster3D_3.0-2/./examples/chaincolours.pdb0000664000471100047110000000123711327673235020333 0ustar merrittmerrittCOLOUR###############D######## 0.600 0.100 0.113 1.70 COLOUR###############E######## 1.000 0.250 0.113 1.70 COLOUR###############F######## 1.000 1.000 0.000 1.70 COLOUR###############G######## 0.300 0.550 0.050 1.70 COLOUR###############H######## 0.100 0.333 0.120 1.70 COLOUR###############A######## 0.140 0.140 0.631 1.70 COLOUR###############C######## 0.000 0.600 0.600 1.70 COLOUR###############B######## 0.300 0.600 0.600 1.70 COLOUR###############W######## 0.500 0.200 0.700 0.50 COLOUR###############S######## 0.500 0.200 0.700 0.50 COLOUR######################## 0.900 0.900 0.900 1.00 Raster3D_3.0-2/./examples/example2.script0000775000471100047110000000260011327673235020114 0ustar merrittmerritt#!/bin/csh # E A Merritt March 1993 # Illustration of composed figure using Raster3D # (assumes ImageMagick installed, if not then don't pipe output from render) # setenv TMPFILE `mktemp /tmp/ex2.XXXXXX` || exit 1 setenv TMPBALLS `mktemp /tmp/ex2.XXXXXX` || exit 1 setenv TMPSUGAR `mktemp /tmp/ex2.XXXXXX` || exit 1 # # figure consists of E. coli enterotoxin (protein as spheres) # binding to GM1 pentasaccharide (sugars represented as rods) # protruding from cell membrane (plane) # # Attach atom colouring to front of PDB file # cat chaincolours.pdb LT.pdb > $TMPFILE # # space-filling representation of protein atoms # balls -h < $TMPFILE > $TMPBALLS # # draw oligosaccharide as stick model # cat sugarcolours.pdb sugars.pdb > $TMPFILE rods -h < $TMPFILE > $TMPSUGAR # # combine protein description with sugar description and # add in description of plane surface lying below both. # At the front goes a file containing the header records # describing the view angle, image size, lighting, etc. # cat header2.r3d plane.r3d $TMPSUGAR $TMPBALLS > $TMPFILE # # Feed the composite description through the rendering progran # and pipe the output to the ImageMagick display utility. # If you have built the SGI libimage version instead, then use # render example1.rgb < $TMPFILE; ipaste example1.rgb # render -png < $TMPFILE | display png:- # # Clean up before leaving # rm -f $TMPFILE $TMPSUGAR $TMPBALLS Raster3D_3.0-2/./examples/ex7_labels.r3d0000664000471100047110000000074211327673235017612 0ustar merrittmerritt# # Compare centering options # Center label on small sphere 2 .2 -.4 -.1 0.04 0.8 0.8 0.8 10 "Times-Italic" 9. "Center-align" 11 .2 -.4 -.1 0. 1. 0. + 11 .2 -.4 -.1 1. .5 .5 Centered label # # Label to right of small sphere 2 .2 -.6 -.3 0.04 0.8 0.8 0.8 10 "Times-Italic" 9. "Right-align" 11 .2 -.6 -.3 1. .5 .5 Right label+ # # Label to left of small sphere 2 .2 -.7 -.5 0.04 0.8 0.8 0.8 10 "Times-Italic" 9. "Left-align" 11 .2 -.7 -.5 1. .5 .5 +Left label Raster3D_3.0-2/./examples/example2.sgi0000775000471100047110000000216311327673235017376 0ustar merrittmerritt#!/bin/csh # E A Merritt March 1993 # Illustration of composed figure using Raster3D # (assumes libimage support from 4DGifts distribution kit on SGI) # # figure consists of E. coli enterotoxin (protein as spheres) # binding to GM1 pentasaccharide (sugars represented as rods) # protruding from cell membrane (plane) # # Attach atom colouring to front of PDB file # cat chaincolours.pdb LT.pdb > temp.tmp # # space-filling representation of protein atoms # balls -h < temp.tmp > balls.r3d # # draw oligosaccharide as stick model # cat sugarcolours.pdb sugars.pdb > temp.tmp rods -h < temp.tmp > sugars.r3d # # combine protein description with sugar description and # add in description of plane surface lying below both. # At the front goes a file containing the header records # describing the view angle, image size, lighting, etc. # cat header2.r3d plane.r3d sugars.r3d balls.r3d > temp.tmp # # Feed the composite description through the rendering program # and display using the ipaste utility # render -sgi example2.rgb < temp.tmp ipaste example2.rgb # # Clean up before leaving # rm -f temp.tmp balls.r3d sugars.r3d example.rgb Raster3D_3.0-2/./examples/example6.script0000775000471100047110000000100211327673235020113 0ustar merrittmerritt#!/bin/csh # E A Merritt November 1999 # Illustration of V2.5 command line options # Assumes ImageMagick installed # render -size 345x345 -draft -jpeg < example6.r3d | display -title "-size 345x345 -draft" jpeg:- & # render -size 345x345 -aa -jpeg < example6.r3d | display -title "-size 345x345 -aa" jpeg:- & # render -size 245x345 -jpeg < example6.r3d | display -title "-size 245x345" jpeg:- & # render -size 400x600 -alpha < example6.r3d | display -title "-size 400x600 -alpha" - & # sleep 6 render -help # Raster3D_3.0-2/./examples/README.examples0000664000471100047110000001121611327673235017646 0ustar merrittmerrittThis directory contains some example uses of Raster3D, which may serve as confirmation of successful installation or as models for general use. Most of the example scripts assume that ImageMagick is installed on your system as an image viewer. If it is, then executing these shell scripts should produce an image on your X-windows screen. There is a small picture gallery of the example images included in the HTML documentation ../html/r3d_examples.html The ./msms subdirectory contains source code for filters to convert molecular surfaces calculated using msms into Raster3D files, and an example of use. Example 1 ========= Example 1 illustrates the use of object types 8 + 9 to change the material properties for individual objects in the figure. It also illustrates using file indirection and the library of special materials included in the Raster3D distribution kit. The library is made known to the system by setting the environmental variable R3D_LIB. You can run example1.script or else type something like: setenv R3D_LIB ../materials render < example5.r3d | display avs:- (ImageMagick) or render -sgi test.rgb < example5.r3d ; ipaste test.rgb (SGI) or render -tiff test.tiff < example5.r3d (TIFF file) Example 2 ========= Example 2 excercises the utilities balls and rods. example2.sgi is the same as example2.script, except that it assumes that you are using the SGI libimage utilities as a viewer. Examples 3, 4, and 5 ==================== The 3rd, 4th, and 5th examples provided here correspond to a figure of the galactose binding site in the E. coli Heat-labile enterotoxin. The figure was composed and generated using the program MOLSCRIPT, by Per Kraulis. I have included three files here: example3.mol - the MOLSCRIPT input file example3.ps - the output from MOLSCRIPT when run in PostScript mode (should be displayable using a PostScript viewer) example3.r3d - the output from MOLSCRIPT when run in Raster3D mode The example3.script will just render and display the example.r3d file. The example4.script requires that Molscript is installed and that you have built TIFF support into the Raster3D package. It should start with the Molscript input file and produce a TIFF file containing the same image produced by example3. If you have Molscript V2.0 you should see labels in the Raster3D image; earlier versions of Molscript did not pass labels through to Raster3D. Example 5 adds a transparent molecular surface around the galactose molecule in example 3. This is a fairly complicated example which illustrates merging Raster3D input files created by two different programs, in this case Molscript and GRASP. I have included a Raster3D input file produced from a GRASP V1.1 surface file by a conversion program. I have not included the actual GRASP file because the format of such files is both version and machine dependent. A copy of the "ungrasp" utility program I used for conversion is included in the directory ../grasp, but you may have to modify this source depending on your local installation. This example illustrates: - the inclusion of a molecular surface file - the specification of a transparent surface - application of a post-multiplied rotation/translation matrix - uncompression of a gzipped input file during processing Note: It would be a more informative figure if the accessible surface of the protein were shown, rather than that of the bound sugar. However this would have required inclusion of an absolutely huge surface description file so I judged it impractical. A JPEG figure illustrating Raster3D rendering of a protein surface should be available on the Raster3D distribution site. Example 6 ========= Example 6 demonstrates the Version 2.5 command line options to render. Example 7 ========= Example 7 demonstrates support for PostScript labels added to the render program in version 2.5. Label commands in the input file are converted to PostScript while the scene is being rendered. The resulting PostScript file is fed through ghostscript to produce a raster image containing the labels. Finally the two raster images, one containing the molecular graphics and the second containing the labels, are composited to yield a single image file with both molecules and labels. This procedure is automated by the label3d script. Example 8 ========= Demonstrates the creation of a stereo pair using the stereo3d command. It also illustrates the use of the ribbon command to draw a minimal representation of the protein backbone. Example 9 ========= This example shows the use of the Raster3D Termal Ellipsoid Program (rastep) to display isosurfaces corresponding to anisotropic displacement parameters Uij. Raster3D_3.0-2/./examples/ex7_titles.r3d0000664000471100047110000000057611327673235017661 0ustar merrittmerritt# # Test isolation of labels # 15 # # First character is big, in a fancy font 10 "ZapfChancery-MediumItalic" 20. "Left-align" # 11 -0.45 0.45 0.0 1.0 1.0 1.0 R # # Remaining characters are smaller, but follow on the same line 10 "Palatino-BoldItalic" 12. "Offset" 11 0.0 0.0 0.0 1.0 1.0 1.0 aster3D now does 11 0.0 0.0 0.0 1.0 1.0 1.0 labels! # # End isolation 9 Raster3D_3.0-2/./examples/header2.r3d0000664000471100047110000000111611327673235017073 0ustar merrittmerrittLT holotoxin + GM1 pentasaccharide; optimized to see A2 domain 80 64 tiles in x,y 12 12 pixels (x,y) per tile 3 Antialiasing scheme 0 0 0 black background colour T shadows cast 25 Phong power 0.20 secondary light contribution 0.10 ambient light contribution 0.25 specular reflection component 4.0 eye position -0.5 0.5 1 main light source position 0.855846 -0.365478 0.365998 0 -0.150384 -0.852869 -0.500000 0 0.494887 0.372883 -0.784886 0 -34.925327 30.617401 34.658188 110. 3 mixed objects * * * Raster3D_3.0-2/./examples/ex7_helix.r3d0000664000471100047110000002753611501754342017464 0ustar merrittmerritt# # A labelled picture of an alpha-helix # (coordinates have been run through normal3d) # # blue plastic 8 35. -1.00 1.000 1.000 1.000 .000 .0 .0 .0 1.0 SOLID 0.100 0.100 0.900 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1.000 3 .04883 .23461 -.10833 .02350 .04017 .27453 -.12165 .02350 .625 .625 .625 3 .04017 .27453 -.12165 .02350 -.02874 .30829 -.07500 .02350 .625 .625 .625 3 -.02874 .30829 -.07500 .02350 -.05665 .28325 -.06401 .02350 .625 .625 .625 3 -.05665 .28325 -.06401 .02350 -.08464 .25822 -.05299 .02350 .125 .125 1.000 3 -.08464 .25822 -.05299 .02350 -.11841 .27066 -.02949 .02350 .125 .125 1.000 3 -.11841 .27066 -.02949 .02350 -.15216 .28311 -.00592 .02350 .625 .625 .625 3 -.15216 .28311 -.00592 .02350 -.12087 .30849 .07409 .02350 .625 .625 .625 # green plastic 8 35. -1.00 1.000 1.000 1.000 .000 .0 .0 .0 1.0 SOLID 0.000 0.800 0.100 3 -.03163 -.27830 -.18464 .01175 -.00046 -.26304 -.15912 .01175 .125 .125 1.000 3 -.00046 -.26304 -.15912 .01175 .03075 -.24774 -.13362 .01175 .625 .625 .625 3 .03075 -.24774 -.13362 .01175 .09988 -.30505 -.13206 .01175 .625 .625 .625 3 .03075 -.24774 -.13362 .01175 .05604 -.16564 -.16029 .01175 .625 .625 .625 3 .09988 -.30505 -.13206 .01175 .08376 -.37620 -.07924 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"Right" 11 -.1411 -.2107 .0968 1.000 .900 .200 Leu 72 10 "Helvetica" 9. "Right" 11 -.2772 .2380 .0605 1.000 .900 .200 Thr 75 Raster3D_3.0-2/./examples/example1.r3d0000664000471100047110000000371711327673235017306 0ustar merrittmerritt@header1.r3d # Draw a bunch of spheres, each with it's own material specification # # First row ###################################### @red.r3d 2 -1.0 0.75 0.0 0.18 1.0 1.0 1.0 @orange.r3d 2 -0.6 0.75 0.0 0.18 1.0 1.0 1.0 @yellow.r3d 2 -0.2 0.75 0.0 0.18 1.0 1.0 1.0 @green.r3d 2 0.2 0.75 0.0 0.18 1.0 1.0 1.0 @blue.r3d 2 0.6 0.75 0.0 0.18 1.0 1.0 1.0 @cyan.r3d 2 1.0 0.75 0.0 0.18 1.0 1.0 1.0 # # Second row ###################################### @purple.r3d 2 -1.0 0.25 0.0 0.18 1.0 1.0 1.0 @lilac.r3d 2 -0.6 0.25 0.0 0.18 1.0 1.0 1.0 @darkgrey.r3d 2 -0.2 0.25 0.0 0.18 1.0 1.0 1.0 @grey.r3d 2 0.2 0.25 0.0 0.18 1.0 1.0 1.0 @white.r3d 2 0.6 0.25 0.0 0.18 1.0 1.0 1.0 # # Fancy row ###################################### @pearl.r3d 2 -1.0 -0.25 0.0 0.18 1.0 1.0 1.0 @bronze.r3d 2 -0.6 -0.25 0.0 0.18 1.0 1.0 1.0 @gold.r3d 2 -0.2 -0.25 0.0 0.18 1.0 1.0 1.0 @silver.r3d 2 0.2 -0.25 0.0 0.18 1.0 1.0 1.0 # # Blue on the outside, golden lining # 8 3. 0.4 1.0 1.0 0.0 0.0 0 1 0 3 SOLID 0.0 0.0 1.0 BACKFACE 0.7 0.3 0.1 0 0 FRONTCLIP 0.13 2 0.6 -0.25 0.0 0.18 1.0 1.0 1.0 # # Catseye marble # (the swirl is a bounded hyperbolic paraboloid, a quadric surface) # @2-sided.r3d 14 1.0 -0.25 0.0 0.18 1.0 1.0 1.0 -0.0089 -0.0272 0.0626 -0.0234 -0.0165 -0.0400 0.0047 -0.0086 0.0013 0.0000 @transparent0.r3d 2 1.0 -0.25 0.0 0.18 1.0 1.0 1.0 # # Fourth row ###################################### # # Matte colours (no highlights) # @matte.r3d 2 -0.6 -0.75 0.0 0.18 1.0 0.5 0.7 2 -0.2 -0.75 0.0 0.18 0.4 0.2 0.9 2 0.2 -0.75 0.0 0.18 0.9 0.9 0.2 2 0.6 -0.75 0.0 0.18 0.0 0.45 0.05 Raster3D_3.0-2/./examples/example6.r3d0000664000471100047110000014676511327673235017326 0ustar merrittmerrittSimple DNA structure (composed with rings3d) 54 64 tiles in x,y 8 8 pixels (x,y) per tile 4 anti-aliasing 1 1 1 white background F no, shadowed rods look funny 25 Phong power 0.15 secondary light contribution 0.05 ambient light contribution 0.25 specular reflection component 4.0 eye position 1 1 1 main light source position 1 0 0 0 input co-ordinate + radius transformation 0 1 0 0 0 0 1 0 -0.494 -22.406 -63.133 25.0 3 mixed object types * * * 3 -2.690 25.028 71.849 0.101 -3.218 25.514 71.900 0.101 1.000 0.398 0.063 3 -3.218 25.514 71.900 0.101 -3.746 26.001 71.951 0.101 1.000 0.398 0.063 3 -3.746 26.001 71.951 0.101 -4.566 27.086 71.380 0.101 1.000 0.398 0.063 3 -4.566 27.086 71.380 0.101 -3.964 27.507 71.327 0.101 1.000 0.398 0.063 3 -3.964 27.507 71.327 0.101 -3.362 27.929 71.274 0.101 1.000 0.398 0.063 3 -4.566 27.086 71.380 0.101 -4.767 26.521 69.938 0.101 1.000 0.398 0.063 3 -3.362 27.929 71.274 0.101 -3.457 28.165 70.570 0.101 1.000 0.398 0.063 3 -3.457 28.165 70.570 0.101 -3.552 28.401 69.867 0.101 1.000 0.398 0.063 3 -4.767 26.521 69.938 0.101 -5.389 26.137 69.916 0.101 1.000 0.398 0.063 3 -5.389 26.137 69.916 0.101 -6.010 25.753 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14.091 63.726 0.101 2.887 13.809 63.128 0.101 1.000 0.101 0.101 3 2.887 13.809 63.128 0.101 2.860 13.528 62.530 0.101 1.000 0.101 0.101 3 2.860 13.528 62.530 0.101 2.254 13.573 62.229 0.101 1.000 0.101 0.101 3 2.254 13.573 62.229 0.101 1.649 13.618 61.929 0.101 1.000 0.101 0.101 3 4.129 19.680 71.382 0.101 4.707 19.382 71.719 0.101 1.000 0.398 0.063 3 4.707 19.382 71.719 0.101 5.284 19.085 72.056 0.101 1.000 0.398 0.063 3 5.284 19.085 72.056 0.101 5.839 18.062 71.077 0.101 1.000 0.398 0.063 3 5.839 18.062 71.077 0.101 5.340 17.523 71.030 0.101 1.000 0.398 0.063 3 5.340 17.523 71.030 0.101 4.840 16.984 70.982 0.101 1.000 0.398 0.063 3 5.839 18.062 71.077 0.101 6.203 18.352 69.586 0.101 1.000 0.398 0.063 3 4.840 16.984 70.982 0.101 4.899 16.674 70.337 0.101 1.000 0.398 0.063 3 4.899 16.674 70.337 0.101 4.959 16.364 69.691 0.101 1.000 0.398 0.063 3 6.203 18.352 69.586 0.101 6.819 18.715 69.542 0.101 1.000 0.398 0.063 3 6.819 18.715 69.542 0.101 7.434 19.077 69.497 0.101 1.000 0.398 0.063 3 6.203 18.352 69.586 0.101 6.260 16.918 69.023 0.101 1.000 0.398 0.063 3 7.434 19.077 69.497 0.101 7.557 19.667 68.962 0.101 1.000 0.398 0.063 3 7.557 19.667 68.962 0.101 7.681 20.257 68.427 0.101 1.000 0.101 0.101 3 6.260 16.918 69.023 0.101 6.865 16.628 69.282 0.101 1.000 0.398 0.063 3 6.865 16.628 69.282 0.101 7.469 16.338 69.540 0.101 1.000 0.398 0.063 3 6.260 16.918 69.023 0.101 4.959 16.364 69.691 0.101 1.000 0.398 0.063 3 4.959 16.364 69.691 0.101 4.313 16.444 69.312 0.101 1.000 0.398 0.063 3 4.313 16.444 69.312 0.101 3.666 16.523 68.932 0.101 1.000 0.398 0.063 3 3.666 16.523 68.932 0.101 3.549 16.153 68.348 0.101 1.000 0.398 0.063 3 3.549 16.153 68.348 0.101 3.431 15.784 67.764 0.101 1.000 0.398 0.063 3 3.666 16.523 68.932 0.101 3.216 16.988 69.127 0.101 1.000 0.398 0.063 3 3.216 16.988 69.127 0.101 2.766 17.453 69.322 0.101 1.000 0.398 0.063 3 3.431 15.784 67.764 0.101 3.827 15.365 67.577 0.101 1.000 0.398 0.063 3 3.827 15.365 67.577 0.101 4.223 14.945 67.390 0.101 1.000 0.398 0.063 3 3.431 15.784 67.764 0.101 2.876 15.884 67.395 0.101 1.000 0.398 0.063 3 2.876 15.884 67.395 0.101 2.321 15.984 67.026 0.101 1.000 0.398 0.063 3 2.321 15.984 67.026 0.101 1.865 16.457 67.229 0.101 1.000 0.398 0.063 3 1.865 16.457 67.229 0.101 1.410 16.929 67.432 0.101 1.000 0.398 0.063 3 1.410 16.929 67.432 0.101 0.869 17.019 67.053 0.101 1.000 0.398 0.063 3 0.869 17.019 67.053 0.101 0.329 17.109 66.674 0.101 1.000 0.398 0.063 3 1.410 16.929 67.432 0.101 1.635 17.700 68.611 0.101 1.000 0.398 0.063 3 1.635 17.700 68.611 0.101 2.766 17.453 69.322 0.101 1.000 0.398 0.063 3 7.681 20.257 68.427 0.101 7.051 20.640 68.303 0.101 1.000 0.101 0.101 3 7.051 20.640 68.303 0.101 6.421 21.024 68.178 0.101 1.000 0.101 0.101 3 7.681 20.257 68.427 0.101 8.260 20.639 68.645 0.101 1.000 0.101 0.101 3 8.260 20.639 68.645 0.101 8.839 21.021 68.862 0.101 1.000 0.101 0.101 3 7.681 20.257 68.427 0.101 7.839 19.804 67.782 0.101 1.000 0.101 0.101 3 7.839 19.804 67.782 0.101 7.997 19.350 67.137 0.101 1.000 0.101 0.101 3 7.997 19.350 67.137 0.101 8.477 18.895 66.830 0.101 1.000 0.101 0.101 3 8.477 18.895 66.830 0.101 8.958 18.440 66.523 0.101 1.000 0.101 0.101 3 8.958 18.440 66.523 0.101 9.038 17.624 65.257 0.101 1.000 0.101 0.101 3 9.038 17.624 65.257 0.101 8.399 17.293 65.343 0.101 1.000 0.101 0.101 3 8.399 17.293 65.343 0.101 7.760 16.962 65.429 0.101 1.000 0.101 0.101 3 9.038 17.624 65.257 0.101 8.704 18.731 64.263 0.101 1.000 0.101 0.101 3 7.760 16.962 65.429 0.101 7.489 16.902 64.770 0.101 1.000 0.101 0.101 3 7.489 16.902 64.770 0.101 7.217 16.842 64.110 0.101 1.000 0.101 0.101 3 8.704 18.731 64.263 0.101 9.316 19.021 64.029 0.101 1.000 0.101 0.101 3 9.316 19.021 64.029 0.101 9.929 19.310 63.794 0.101 1.000 0.101 0.101 3 8.704 18.731 64.263 0.101 8.073 17.788 63.213 0.101 1.000 0.101 0.101 3 9.929 19.310 63.794 0.101 9.947 20.070 63.489 0.101 1.000 0.101 0.101 3 9.947 20.070 63.489 0.101 9.965 20.831 63.184 0.101 1.000 0.398 0.063 3 8.073 17.788 63.213 0.101 8.629 17.389 63.025 0.101 1.000 0.101 0.101 3 8.629 17.389 63.025 0.101 9.186 16.990 62.837 0.101 1.000 0.101 0.101 3 8.073 17.788 63.213 0.101 7.217 16.842 64.110 0.101 1.000 0.101 0.101 3 7.217 16.842 64.110 0.101 6.535 17.132 64.145 0.101 1.000 0.101 0.101 3 6.535 17.132 64.145 0.101 5.853 17.422 64.179 0.101 1.000 0.101 0.101 3 5.853 17.422 64.179 0.101 5.556 17.756 64.712 0.101 1.000 0.101 0.101 3 5.556 17.756 64.712 0.101 5.258 18.089 65.245 0.101 1.000 0.101 0.101 3 5.853 17.422 64.179 0.101 5.365 17.340 63.718 0.101 1.000 0.101 0.101 3 5.365 17.340 63.718 0.101 4.878 17.257 63.258 0.101 1.000 0.101 0.101 3 5.258 18.089 65.245 0.101 4.622 18.212 65.142 0.101 1.000 0.101 0.101 3 4.622 18.212 65.142 0.101 3.987 18.335 65.039 0.101 1.000 0.101 0.101 3 3.987 18.335 65.039 0.101 3.858 18.072 64.411 0.101 1.000 0.101 0.101 3 3.858 18.072 64.411 0.101 3.728 17.809 63.784 0.101 1.000 0.101 0.101 3 3.728 17.809 63.784 0.101 2.517 17.770 63.022 0.101 1.000 0.101 0.101 3 3.728 17.809 63.784 0.101 4.878 17.257 63.258 0.101 1.000 0.101 0.101 3 2.517 17.770 63.022 0.101 1.958 17.977 63.152 0.101 1.000 0.101 0.101 3 1.958 17.977 63.152 0.101 1.400 18.184 63.282 0.101 1.000 0.101 0.101 3 2.517 17.770 63.022 0.101 2.605 17.453 62.390 0.101 1.000 0.101 0.101 3 2.605 17.453 62.390 0.101 2.694 17.136 61.758 0.101 1.000 0.101 0.101 3 2.694 17.136 61.758 0.101 3.302 16.876 61.551 0.101 1.000 0.101 0.101 3 3.302 16.876 61.551 0.101 3.910 16.616 61.345 0.101 1.000 0.101 0.101 3 3.910 16.616 61.345 0.101 3.903 16.333 60.736 0.101 1.000 0.101 0.101 3 3.903 16.333 60.736 0.101 3.895 16.049 60.126 0.101 1.000 0.101 0.101 3 3.910 16.616 61.345 0.101 4.467 16.628 61.685 0.101 1.000 0.101 0.101 3 4.467 16.628 61.685 0.101 5.024 16.641 62.024 0.101 1.000 0.101 0.101 3 5.024 16.641 62.024 0.101 4.951 16.949 62.641 0.101 1.000 0.101 0.101 3 4.951 16.949 62.641 0.101 4.878 17.257 63.258 0.101 1.000 0.101 0.101 3 9.965 20.831 63.184 0.101 9.517 21.245 63.634 0.101 1.000 0.398 0.063 3 9.517 21.245 63.634 0.101 9.068 21.659 64.085 0.101 1.000 0.398 0.063 3 9.965 20.831 63.184 0.101 10.668 21.062 63.178 0.101 1.000 0.398 0.063 3 10.668 21.062 63.178 0.101 11.371 21.293 63.172 0.101 1.000 0.398 0.063 3 9.965 20.831 63.184 0.101 9.635 20.852 62.460 0.101 1.000 0.398 0.063 3 9.635 20.852 62.460 0.101 9.306 20.873 61.736 0.101 1.000 0.398 0.063 3 9.306 20.873 61.736 0.101 9.675 20.530 61.224 0.101 1.000 0.398 0.063 3 9.675 20.530 61.224 0.101 10.044 20.188 60.712 0.101 1.000 0.398 0.063 3 10.044 20.188 60.712 0.101 9.173 20.117 59.465 0.101 1.000 0.398 0.063 3 9.173 20.117 59.465 0.101 8.630 19.645 59.600 0.101 1.000 0.398 0.063 3 8.630 19.645 59.600 0.101 8.086 19.172 59.735 0.101 1.000 0.398 0.063 3 9.173 20.117 59.465 0.101 8.442 21.394 58.907 0.101 1.000 0.398 0.063 3 8.086 19.172 59.735 0.101 7.517 19.404 59.350 0.101 1.000 0.398 0.063 3 7.517 19.404 59.350 0.101 6.947 19.636 58.964 0.101 1.000 0.398 0.063 3 8.442 21.394 58.907 0.101 8.902 21.853 58.605 0.101 1.000 0.398 0.063 3 8.902 21.853 58.605 0.101 9.362 22.312 58.303 0.101 1.000 0.398 0.063 3 8.442 21.394 58.907 0.101 7.317 20.807 58.028 0.101 1.000 0.398 0.063 3 9.362 22.312 58.303 0.101 9.253 23.114 58.376 0.101 1.000 0.398 0.063 3 9.253 23.114 58.376 0.101 9.145 23.915 58.448 0.101 1.000 0.101 0.101 3 7.317 20.807 58.028 0.101 7.653 20.566 57.447 0.101 1.000 0.398 0.063 3 7.653 20.566 57.447 0.101 7.990 20.325 56.866 0.101 1.000 0.398 0.063 3 7.317 20.807 58.028 0.101 6.947 19.636 58.964 0.101 1.000 0.398 0.063 3 6.947 19.636 58.964 0.101 6.401 19.801 59.436 0.101 1.000 0.398 0.063 3 6.401 19.801 59.436 0.101 5.855 19.967 59.908 0.101 1.000 0.398 0.063 3 5.855 19.967 59.908 0.101 5.205 19.986 59.651 0.101 1.000 0.398 0.063 3 5.205 19.986 59.651 0.101 4.554 20.004 59.394 0.101 1.000 0.398 0.063 3 5.855 19.967 59.908 0.101 6.009 20.128 60.545 0.101 1.000 0.398 0.063 3 6.009 20.128 60.545 0.101 6.163 20.289 61.182 0.101 1.000 0.398 0.063 3 4.554 20.004 59.394 0.101 4.443 19.858 58.812 0.101 1.000 0.398 0.063 3 4.443 19.858 58.812 0.101 4.331 19.712 58.229 0.101 1.000 0.398 0.063 3 4.554 20.004 59.394 0.101 4.011 20.184 59.773 0.101 1.000 0.398 0.063 3 4.011 20.184 59.773 0.101 3.468 20.364 60.153 0.101 1.000 0.398 0.063 3 3.468 20.364 60.153 0.101 3.605 20.538 60.818 0.101 1.000 0.398 0.063 3 3.605 20.538 60.818 0.101 3.742 20.712 61.483 0.101 1.000 0.398 0.063 3 3.742 20.712 61.483 0.101 3.187 20.883 61.830 0.101 1.000 0.398 0.063 3 3.187 20.883 61.830 0.101 2.631 21.055 62.177 0.101 1.000 0.398 0.063 3 3.742 20.712 61.483 0.101 5.132 20.666 62.008 0.101 1.000 0.398 0.063 3 5.132 20.666 62.008 0.101 6.163 20.289 61.182 0.101 1.000 0.398 0.063 3 9.145 23.915 58.448 0.101 8.965 24.084 59.130 0.101 1.000 0.101 0.101 3 8.965 24.084 59.130 0.101 8.785 24.253 59.812 0.101 1.000 0.101 0.101 3 9.145 23.915 58.448 0.101 9.746 24.249 58.131 0.101 1.000 0.101 0.101 3 9.746 24.249 58.131 0.101 10.346 24.582 57.813 0.101 1.000 0.101 0.101 3 9.145 23.915 58.448 0.101 8.483 24.070 57.980 0.101 1.000 0.101 0.101 3 8.483 24.070 57.980 0.101 7.821 24.225 57.512 0.101 1.000 0.101 0.101 3 7.821 24.225 57.512 0.101 7.845 24.142 56.793 0.101 1.000 0.101 0.101 3 7.845 24.142 56.793 0.101 7.870 24.060 56.073 0.101 1.000 0.101 0.101 3 7.870 24.060 56.073 0.101 6.491 24.324 55.465 0.101 1.000 0.101 0.101 3 6.491 24.324 55.465 0.101 6.019 23.801 55.691 0.101 1.000 0.101 0.101 3 6.019 23.801 55.691 0.101 5.548 23.278 55.918 0.101 1.000 0.101 0.101 3 6.491 24.324 55.465 0.101 5.810 25.635 55.790 0.101 1.000 0.101 0.101 3 5.548 23.278 55.918 0.101 4.891 23.556 55.940 0.101 1.000 0.101 0.101 3 4.891 23.556 55.940 0.101 4.234 23.835 55.963 0.101 1.000 0.101 0.101 3 5.810 25.635 55.790 0.101 6.100 26.174 55.421 0.101 1.000 0.101 0.101 3 6.100 26.174 55.421 0.101 6.390 26.713 55.051 0.101 1.000 0.101 0.101 3 5.810 25.635 55.790 0.101 4.330 25.272 55.399 0.101 1.000 0.101 0.101 3 6.390 26.713 55.051 0.101 6.454 27.465 55.371 0.101 1.000 0.101 0.101 3 6.454 27.465 55.371 0.101 6.518 28.218 55.692 0.101 1.000 0.398 0.063 3 4.330 25.272 55.399 0.101 4.284 25.314 54.704 0.101 1.000 0.101 0.101 3 4.284 25.314 54.704 0.101 4.238 25.357 54.010 0.101 1.000 0.101 0.101 3 4.330 25.272 55.399 0.101 4.234 23.835 55.963 0.101 1.000 0.101 0.101 3 4.234 23.835 55.963 0.101 4.011 23.817 56.694 0.101 1.000 0.101 0.101 3 4.011 23.817 56.694 0.101 3.788 23.800 57.425 0.101 1.000 0.101 0.101 3 3.788 23.800 57.425 0.101 4.144 23.747 58.031 0.101 1.000 0.101 0.101 3 4.144 23.747 58.031 0.101 4.501 23.695 58.636 0.101 1.000 0.101 0.101 3 3.788 23.800 57.425 0.101 3.118 23.861 57.645 0.101 1.000 0.101 0.101 3 3.118 23.861 57.645 0.101 2.447 23.921 57.864 0.101 1.000 0.101 0.101 3 4.501 23.695 58.636 0.101 4.146 23.719 59.179 0.101 1.000 0.101 0.101 3 4.146 23.719 59.179 0.101 3.790 23.744 59.721 0.101 1.000 0.101 0.101 3 3.790 23.744 59.721 0.101 3.125 23.807 59.476 0.101 1.000 0.101 0.101 3 3.125 23.807 59.476 0.101 2.461 23.870 59.231 0.101 1.000 0.101 0.101 3 2.461 23.870 59.231 0.101 1.246 23.978 59.935 0.101 1.000 0.101 0.101 3 2.461 23.870 59.231 0.101 2.447 23.921 57.864 0.101 1.000 0.101 0.101 3 1.246 23.978 59.935 0.101 1.127 23.976 60.544 0.101 1.000 0.101 0.101 3 1.127 23.976 60.544 0.101 1.007 23.973 61.152 0.101 1.000 0.101 0.101 3 1.246 23.978 59.935 0.101 0.687 24.042 59.490 0.101 1.000 0.101 0.101 3 0.687 24.042 59.490 0.101 0.127 24.105 59.044 0.101 1.000 0.101 0.101 3 0.127 24.105 59.044 0.101 0.176 24.127 58.363 0.101 1.000 0.101 0.101 3 0.176 24.127 58.363 0.101 0.226 24.149 57.683 0.101 1.000 0.101 0.101 3 0.226 24.149 57.683 0.101 -0.336 24.220 57.346 0.101 1.000 0.101 0.101 3 -0.336 24.220 57.346 0.101 -0.898 24.290 57.009 0.101 1.000 0.101 0.101 3 0.226 24.149 57.683 0.101 0.806 24.098 57.349 0.101 1.000 0.101 0.101 3 0.806 24.098 57.349 0.101 1.386 24.048 57.016 0.101 1.000 0.101 0.101 3 1.386 24.048 57.016 0.101 1.917 23.985 57.440 0.101 1.000 0.101 0.101 3 1.917 23.985 57.440 0.101 2.447 23.921 57.864 0.101 1.000 0.101 0.101 3 6.518 28.218 55.692 0.101 6.762 28.151 56.376 0.101 1.000 0.398 0.063 3 6.762 28.151 56.376 0.101 7.006 28.084 57.060 0.101 1.000 0.398 0.063 3 6.518 28.218 55.692 0.101 6.915 28.625 55.191 0.101 1.000 0.398 0.063 3 6.915 28.625 55.191 0.101 7.312 29.033 54.690 0.101 1.000 0.398 0.063 3 6.518 28.218 55.692 0.101 5.766 28.501 55.734 0.101 1.000 0.398 0.063 3 5.766 28.501 55.734 0.101 5.013 28.784 55.775 0.101 1.000 0.398 0.063 3 5.013 28.784 55.775 0.101 4.615 28.938 55.160 0.101 1.000 0.398 0.063 3 4.615 28.938 55.160 0.101 4.217 29.091 54.544 0.101 1.000 0.398 0.063 3 4.217 29.091 54.544 0.101 2.738 29.400 54.862 0.101 1.000 0.398 0.063 3 2.738 29.400 54.862 0.101 2.437 28.792 55.116 0.101 1.000 0.398 0.063 3 2.437 28.792 55.116 0.101 2.135 28.183 55.370 0.101 1.000 0.398 0.063 3 2.738 29.400 54.862 0.101 2.373 30.454 55.927 0.101 1.000 0.398 0.063 3 2.135 28.183 55.370 0.101 1.602 28.365 55.827 0.101 1.000 0.398 0.063 3 1.602 28.365 55.827 0.101 1.069 28.547 56.285 0.101 1.000 0.398 0.063 3 2.373 30.454 55.927 0.101 2.495 31.140 55.707 0.101 1.000 0.398 0.063 3 2.495 31.140 55.707 0.101 2.617 31.827 55.487 0.101 1.000 0.398 0.063 3 2.373 30.454 55.927 0.101 0.968 30.084 56.310 0.101 1.000 0.398 0.063 3 2.617 31.827 55.487 0.101 2.820 32.397 56.005 0.101 1.000 0.398 0.063 3 2.820 32.397 56.005 0.101 3.023 32.967 56.523 0.101 1.000 0.101 0.101 3 0.968 30.084 56.310 0.101 0.571 30.281 55.752 0.101 1.000 0.398 0.063 3 0.571 30.281 55.752 0.101 0.173 30.479 55.193 0.101 1.000 0.398 0.063 3 0.968 30.084 56.310 0.101 1.069 28.547 56.285 0.101 1.000 0.398 0.063 3 1.069 28.547 56.285 0.101 1.219 28.291 56.976 0.101 1.000 0.398 0.063 3 1.219 28.291 56.976 0.101 1.369 28.034 57.666 0.101 1.000 0.398 0.063 3 1.369 28.034 57.666 0.101 0.850 27.994 58.148 0.101 1.000 0.398 0.063 3 0.850 27.994 58.148 0.101 0.331 27.954 58.631 0.101 1.000 0.398 0.063 3 1.369 28.034 57.666 0.101 2.017 27.899 57.896 0.101 1.000 0.398 0.063 3 2.017 27.899 57.896 0.101 2.666 27.764 58.125 0.101 1.000 0.398 0.063 3 0.331 27.954 58.631 0.101 -0.254 28.083 58.444 0.101 1.000 0.398 0.063 3 -0.254 28.083 58.444 0.101 -0.839 28.212 58.256 0.101 1.000 0.398 0.063 3 0.331 27.954 58.631 0.101 0.452 27.795 59.277 0.101 1.000 0.398 0.063 3 0.452 27.795 59.277 0.101 0.573 27.635 59.922 0.101 1.000 0.398 0.063 3 0.573 27.635 59.922 0.101 1.213 27.505 60.110 0.101 1.000 0.398 0.063 3 1.213 27.505 60.110 0.101 1.853 27.375 60.298 0.101 1.000 0.398 0.063 3 1.853 27.375 60.298 0.101 1.989 27.209 60.936 0.101 1.000 0.398 0.063 3 1.989 27.209 60.936 0.101 2.124 27.044 61.574 0.101 1.000 0.398 0.063 3 1.853 27.375 60.298 0.101 2.970 27.438 59.386 0.101 1.000 0.398 0.063 3 2.970 27.438 59.386 0.101 2.666 27.764 58.125 0.101 1.000 0.398 0.063 3 3.023 32.967 56.523 0.101 3.562 32.752 56.991 0.101 1.000 0.101 0.101 3 3.562 32.752 56.991 0.101 4.101 32.537 57.459 0.101 1.000 0.101 0.101 3 3.023 32.967 56.523 0.101 3.141 33.587 56.107 0.101 1.000 0.101 0.101 3 3.141 33.587 56.107 0.101 3.260 34.207 55.691 0.101 1.000 0.101 0.101 3 3.023 32.967 56.523 0.101 2.360 33.085 56.959 0.101 1.000 0.101 0.101 3 2.360 33.085 56.959 0.101 1.698 33.204 57.395 0.101 1.000 0.101 0.101 3 1.698 33.204 57.395 0.101 1.079 33.452 57.132 0.101 1.000 0.101 0.101 3 1.079 33.452 57.132 0.101 0.459 33.700 56.870 0.101 1.000 0.101 0.101 3 0.459 33.700 56.870 0.101 -0.629 33.671 57.911 0.101 1.000 0.101 0.101 3 -0.629 33.671 57.911 0.101 -0.785 33.009 58.169 0.101 1.000 0.101 0.101 3 -0.785 33.009 58.169 0.101 -0.941 32.348 58.427 0.101 1.000 0.101 0.101 3 -0.629 33.671 57.911 0.101 -0.437 34.564 59.163 0.101 1.000 0.101 0.101 3 -0.941 32.348 58.427 0.101 -1.178 32.401 59.093 0.101 1.000 0.101 0.101 3 -1.178 32.401 59.093 0.101 -1.415 32.454 59.759 0.101 1.000 0.101 0.101 3 -0.437 34.564 59.163 0.101 -0.506 35.272 59.070 0.101 1.000 0.101 0.101 3 -0.506 35.272 59.070 0.101 -0.574 35.980 58.978 0.101 1.000 0.101 0.101 3 -0.437 34.564 59.163 0.101 -1.429 33.926 60.178 0.101 1.000 0.101 0.101 3 -1.429 33.926 60.178 0.101 -2.079 34.164 60.049 0.101 1.000 0.101 0.101 3 -2.079 34.164 60.049 0.101 -2.730 34.402 59.919 0.101 1.000 0.101 0.101 3 -1.429 33.926 60.178 0.101 -1.415 32.454 59.759 0.101 1.000 0.101 0.101 3 -1.415 32.454 59.759 0.101 -0.932 32.062 60.193 0.101 1.000 0.101 0.101 3 -0.932 32.062 60.193 0.101 -0.449 31.670 60.628 0.101 1.000 0.101 0.101 3 -0.449 31.670 60.628 0.101 0.218 31.506 60.524 0.101 1.000 0.101 0.101 3 0.218 31.506 60.524 0.101 0.885 31.342 60.420 0.101 1.000 0.101 0.101 3 -0.449 31.670 60.628 0.101 -0.574 31.416 61.292 0.101 1.000 0.101 0.101 3 -0.574 31.416 61.292 0.101 -0.698 31.161 61.955 0.101 1.000 0.101 0.101 3 0.885 31.342 60.420 0.101 1.167 31.030 60.925 0.101 1.000 0.101 0.101 3 1.167 31.030 60.925 0.101 1.449 30.718 61.431 0.101 1.000 0.101 0.101 3 1.449 30.718 61.431 0.101 0.942 30.656 61.903 0.101 1.000 0.101 0.101 3 0.942 30.656 61.903 0.101 0.434 30.594 62.376 0.101 1.000 0.101 0.101 3 0.434 30.594 62.376 0.101 0.438 29.998 63.703 0.101 1.000 0.101 0.101 3 0.434 30.594 62.376 0.101 -0.698 31.161 61.955 0.101 1.000 0.101 0.101 3 0.438 29.998 63.703 0.101 0.916 29.705 63.997 0.101 1.000 0.101 0.101 3 0.916 29.705 63.997 0.101 1.395 29.413 64.291 0.101 1.000 0.101 0.101 3 0.438 29.998 63.703 0.101 -0.191 30.065 64.001 0.101 1.000 0.101 0.101 3 -0.191 30.065 64.001 0.101 -0.819 30.133 64.299 0.101 1.000 0.101 0.101 3 -0.819 30.133 64.299 0.101 -1.380 30.436 64.038 0.101 1.000 0.101 0.101 3 -1.380 30.436 64.038 0.101 -1.940 30.738 63.777 0.101 1.000 0.101 0.101 3 -1.940 30.738 63.777 0.101 -2.504 30.754 64.148 0.101 1.000 0.101 0.101 3 -2.504 30.754 64.148 0.101 -3.068 30.770 64.519 0.101 1.000 0.101 0.101 3 -1.940 30.738 63.777 0.101 -1.921 31.009 63.166 0.101 1.000 0.101 0.101 3 -1.921 31.009 63.166 0.101 -1.903 31.280 62.554 0.101 1.000 0.101 0.101 3 -1.903 31.280 62.554 0.101 -1.301 31.221 62.255 0.101 1.000 0.101 0.101 3 -1.301 31.221 62.255 0.101 -0.698 31.161 61.955 0.101 1.000 0.101 0.101 @translucent.r3d # +C 1A 1 -2.17 29.02 67.82 -1.06 28.82 67.09 -0.35 27.16 68.73 1.000 0.398 0.063 1 -2.39 28.30 69.00 -2.17 29.02 67.82 -1.48 27.39 69.43 1.000 0.398 0.063 1 -1.06 28.82 67.09 -0.13 27.89 67.52 -0.35 27.16 68.73 1.000 0.398 0.063 1 -2.17 29.02 67.82 -0.35 27.16 68.73 -1.48 27.39 69.43 1.000 0.398 0.063 # +G 2A 1 -2.92 28.10 61.51 -1.70 27.59 61.89 -2.65 26.95 63.93 1.000 0.101 0.101 1 -4.02 28.08 62.24 -2.92 28.10 61.51 -3.81 27.50 63.45 1.000 0.101 0.101 1 -1.70 27.59 61.89 -1.47 26.98 63.16 -2.65 26.95 63.93 1.000 0.101 0.101 1 -2.92 28.10 61.51 -2.65 26.95 63.93 -3.81 27.50 63.45 1.000 0.101 0.101 1 -2.65 26.95 63.93 -2.86 26.43 65.23 -4.13 26.69 65.48 1.000 0.101 0.101 1 -3.81 27.50 63.45 -4.13 26.69 65.48 -4.78 27.34 64.42 1.000 0.101 0.101 1 -2.65 26.95 63.93 -3.81 27.50 63.45 -4.13 26.69 65.48 1.000 0.101 0.101 # +C 3A 1 -3.65 24.73 59.62 -2.57 24.40 60.35 -4.07 24.00 62.34 1.000 0.398 0.063 1 -4.92 24.75 60.16 -3.65 24.73 59.62 -5.06 24.38 61.51 1.000 0.398 0.063 1 -2.57 24.40 60.35 -2.83 24.06 61.67 -4.07 24.00 62.34 1.000 0.398 0.063 1 -3.65 24.73 59.62 -4.07 24.00 62.34 -5.06 24.38 61.51 1.000 0.398 0.063 # +G 4A 1 0.58 20.56 57.61 0.72 20.62 59.02 -1.57 20.87 59.31 1.000 0.101 0.101 1 -0.63 20.65 57.01 0.58 20.56 57.61 -1.62 20.81 57.96 1.000 0.101 0.101 1 0.72 20.62 59.02 -0.31 20.76 59.96 -1.57 20.87 59.31 1.000 0.101 0.101 1 0.58 20.56 57.61 -1.57 20.87 59.31 -1.62 20.81 57.96 1.000 0.101 0.101 1 -1.57 20.87 59.31 -2.88 21.02 59.87 -3.65 21.05 58.77 1.000 0.101 0.101 1 -1.62 20.81 57.96 -3.65 21.05 58.77 -3.01 20.93 57.60 1.000 0.101 0.101 1 -1.57 20.87 59.31 -1.62 20.81 57.96 -3.65 21.05 58.77 1.000 0.101 0.101 # +C 5A 1 0.45 16.79 58.68 0.26 17.14 59.96 -2.18 17.34 59.50 1.000 0.398 0.063 1 -0.64 16.72 57.76 0.45 16.79 58.68 -1.91 17.00 58.24 1.000 0.398 0.063 1 0.26 17.14 59.96 -1.01 17.39 60.36 -2.18 17.34 59.50 1.000 0.398 0.063 1 0.45 16.79 58.68 -2.18 17.34 59.50 -1.91 17.00 58.24 1.000 0.398 0.063 # +G 6A 1 2.91 14.09 63.73 1.81 14.71 64.29 0.50 14.21 62.41 1.000 0.101 0.101 1 2.86 13.53 62.53 2.91 14.09 63.73 1.65 13.62 61.93 1.000 0.101 0.101 1 1.81 14.71 64.29 0.54 14.82 63.67 0.50 14.21 62.41 1.000 0.101 0.101 1 2.91 14.09 63.73 0.50 14.21 62.41 1.65 13.62 61.93 1.000 0.101 0.101 1 0.50 14.21 62.41 -0.55 14.08 61.49 0.04 13.41 60.46 1.000 0.101 0.101 1 1.65 13.62 61.93 0.04 13.41 60.46 1.34 13.11 60.66 1.000 0.101 0.101 1 0.50 14.21 62.41 1.65 13.62 61.93 0.04 13.41 60.46 1.000 0.101 0.101 # +C 7B 1 3.43 15.78 67.76 2.32 15.98 67.03 1.63 17.70 68.61 1.000 0.398 0.063 1 3.67 16.52 68.93 3.43 15.78 67.76 2.77 17.45 69.32 1.000 0.398 0.063 1 2.32 15.98 67.03 1.41 16.93 67.43 1.63 17.70 68.61 1.000 0.398 0.063 1 3.43 15.78 67.76 1.63 17.70 68.61 2.77 17.45 69.32 1.000 0.398 0.063 # +G 8B 1 3.91 16.62 61.35 2.69 17.14 61.76 3.73 17.81 63.78 1.000 0.101 0.101 1 5.02 16.64 62.02 3.91 16.62 61.35 4.88 17.26 63.26 1.000 0.101 0.101 1 2.69 17.14 61.76 2.52 17.77 63.02 3.73 17.81 63.78 1.000 0.101 0.101 1 3.91 16.62 61.35 3.73 17.81 63.78 4.88 17.26 63.26 1.000 0.101 0.101 1 3.73 17.81 63.78 3.99 18.33 65.04 5.26 18.09 65.25 1.000 0.101 0.101 1 4.88 17.26 63.26 5.26 18.09 65.25 5.85 17.42 64.18 1.000 0.101 0.101 1 3.73 17.81 63.78 4.88 17.26 63.26 5.26 18.09 65.25 1.000 0.101 0.101 # +C 9B 1 4.55 20.00 59.39 3.47 20.36 60.15 5.13 20.67 62.01 1.000 0.398 0.063 1 5.86 19.97 59.91 4.55 20.00 59.39 6.16 20.29 61.18 1.000 0.398 0.063 1 3.47 20.36 60.15 3.74 20.71 61.48 5.13 20.67 62.01 1.000 0.398 0.063 1 4.55 20.00 59.39 5.13 20.67 62.01 6.16 20.29 61.18 1.000 0.398 0.063 # +G 10B 1 0.23 24.15 57.68 0.13 24.10 59.04 2.46 23.87 59.23 1.000 0.101 0.101 1 1.39 24.05 57.02 0.23 24.15 57.68 2.45 23.92 57.86 1.000 0.101 0.101 1 0.13 24.10 59.04 1.25 23.98 59.94 2.46 23.87 59.23 1.000 0.101 0.101 1 0.23 24.15 57.68 2.46 23.87 59.23 2.45 23.92 57.86 1.000 0.101 0.101 1 2.46 23.87 59.23 3.79 23.74 59.72 4.50 23.69 58.64 1.000 0.101 0.101 1 2.45 23.92 57.86 4.50 23.69 58.64 3.79 23.80 57.42 1.000 0.101 0.101 1 2.46 23.87 59.23 2.45 23.92 57.86 4.50 23.69 58.64 1.000 0.101 0.101 # +C 11B 1 0.33 27.95 58.63 0.57 27.64 59.92 2.97 27.44 59.39 1.000 0.398 0.063 1 1.37 28.03 57.67 0.33 27.95 58.63 2.67 27.76 58.13 1.000 0.398 0.063 1 0.57 27.64 59.92 1.85 27.38 60.30 2.97 27.44 59.39 1.000 0.398 0.063 1 0.33 27.95 58.63 2.97 27.44 59.39 2.67 27.76 58.13 1.000 0.398 0.063 # +G 12B 1 -1.94 30.74 63.78 -0.82 30.13 64.30 0.43 30.59 62.38 1.000 0.101 0.101 1 -1.90 31.28 62.55 -1.94 30.74 63.78 -0.70 31.16 61.96 1.000 0.101 0.101 1 -0.82 30.13 64.30 0.44 30.00 63.70 0.43 30.59 62.38 1.000 0.101 0.101 1 -1.94 30.74 63.78 0.43 30.59 62.38 -0.70 31.16 61.96 1.000 0.101 0.101 1 0.43 30.59 62.38 1.45 30.72 61.43 0.88 31.34 60.42 1.000 0.101 0.101 1 -0.70 31.16 61.96 0.88 31.34 60.42 -0.45 31.67 60.63 1.000 0.101 0.101 1 0.43 30.59 62.38 -0.70 31.16 61.96 0.88 31.34 60.42 1.000 0.101 0.101 Raster3D_3.0-2/./examples/sugarG.pdb0000664000471100047110000002225011327673235017070 0ustar merrittmerrittATOM 3447 C1 GAL 4104 24.274 47.792 19.835 1.000 14.59 ANISOU 3447 C1 GAL 4104 1377 2013 2018 -663 9 -285 ATOM 3448 C2 GAL 4104 24.176 49.165 20.487 1.000 12.19 ANISOU 3448 C2 GAL 4104 1077 1723 1716 -322 -143 114 ATOM 3449 O2 GAL 4104 25.483 49.510 20.991 1.000 11.73 ANISOU 3449 O2 GAL 4104 1032 1643 1671 -250 -197 44 ATOM 3450 C3 GAL 4104 23.209 49.050 21.658 1.000 11.12 ANISOU 3450 C3 GAL 4104 1110 1276 1736 -440 -160 41 ATOM 3451 O3 GAL 4104 23.057 50.366 22.204 1.000 12.25 ANISOU 3451 O3 GAL 4104 1485 1335 1721 -367 -263 -71 ATOM 3452 C4 GAL 4104 21.835 48.584 21.103 1.000 11.73 ANISOU 3452 C4 GAL 4104 1151 1597 1599 -374 -216 -123 ATOM 3453 O4 GAL 4104 21.274 49.559 20.255 1.000 11.60 ANISOU 3453 O4 GAL 4104 1314 1762 1223 -564 -213 -7 ATOM 3454 C5 GAL 4104 22.026 47.272 20.344 1.000 13.15 ANISOU 3454 C5 GAL 4104 1378 1771 1725 -554 -39 -338 ATOM 3455 O5 GAL 4104 22.979 47.477 19.256 1.000 13.60 ANISOU 3455 O5 GAL 4104 1272 1890 1879 -198 -75 -188 ATOM 3456 C6 GAL 4104 20.741 46.846 19.619 1.000 13.60 ANISOU 3456 C6 GAL 4104 1388 1713 1938 -459 -257 -297 ATOM 3457 O6 GAL 4104 20.894 45.566 18.998 1.000 15.59 ANISOU 3457 O6 GAL 4104 1529 1816 2433 -596 -185 -462 ATOM 3458 C1 NGA 4105 27.252 45.209 17.378 1.000 21.21 ANISOU 3458 C1 NGA 4105 2075 2959 2825 111 -139 -586 ATOM 3459 C2 NGA 4105 26.959 46.528 18.117 1.000 20.14 ANISOU 3459 C2 NGA 4105 2177 2690 2596 256 -62 -189 ATOM 3460 N2 NGA 4105 27.603 46.464 19.414 1.000 20.48 ANISOU 3460 N2 NGA 4105 2506 2376 2708 154 -282 -320 ATOM 3461 C7 NGA 4105 28.513 47.279 19.926 1.000 18.87 ANISOU 3461 C7 NGA 4105 2327 2290 2376 131 183 -459 ATOM 3462 O7 NGA 4105 28.869 48.331 19.310 1.000 19.49 ANISOU 3462 O7 NGA 4105 2004 2393 2824 342 279 -170 ATOM 3463 C8 NGA 4105 29.119 46.778 21.241 1.000 19.37 ANISOU 3463 C8 NGA 4105 1744 2793 2642 -363 79 -74 ATOM 3464 C3 NGA 4105 25.446 46.643 18.176 1.000 19.96 ANISOU 3464 C3 NGA 4105 2156 2793 2448 22 22 -521 ATOM 3465 O3 NGA 4105 25.162 47.930 18.736 1.000 17.50 ANISOU 3465 O3 NGA 4105 1571 2565 2348 -359 295 -307 ATOM 3466 C4 NGA 4105 24.811 46.603 16.773 1.000 20.35 ANISOU 3466 C4 NGA 4105 2487 2500 2555 -108 -251 -262 ATOM 3467 O4 NGA 4105 25.151 47.806 16.078 1.000 23.85 ANISOU 3467 O4 NGA 4105 2946 2765 3126 -144 -122 91 ATOM 3468 C5 NGA 4105 25.258 45.344 16.062 1.000 20.15 ANISOU 3468 C5 NGA 4105 2138 2819 2510 -143 -60 -485 ATOM 3469 O5 NGA 4105 26.703 45.283 16.050 1.000 20.49 ANISOU 3469 O5 NGA 4105 2102 2826 2665 -438 78 -208 ATOM 3470 C6 NGA 4105 24.710 45.153 14.665 1.000 25.80 ANISOU 3470 C6 NGA 4105 3105 3553 2902 -279 -694 -757 ATOM 3471 O6 NGA 4105 23.316 45.441 14.605 1.000 32.95 ANISOU 3471 O6 NGA 4105 2840 4833 4538 -926 -1277 -446 ATOM 3472 C1 GAL 4106 31.960 44.335 17.404 1.000 24.29 ANISOU 3472 C1 GAL 4106 2809 2993 3197 -525 105 55 ATOM 3473 C2 GAL 4106 31.068 44.349 18.640 1.000 23.83 ANISOU 3473 C2 GAL 4106 2679 2986 3164 -237 37 -14 ATOM 3474 O2 GAL 4106 31.815 43.966 19.778 1.000 25.25 ANISOU 3474 O2 GAL 4106 2070 4090 3195 77 171 0 ATOM 3475 C3 GAL 4106 29.897 43.356 18.485 1.000 21.88 ANISOU 3475 C3 GAL 4106 2528 2701 2880 -78 109 14 ATOM 3476 O3 GAL 4106 29.018 43.614 19.573 1.000 21.99 ANISOU 3476 O3 GAL 4106 2717 2700 2733 -52 102 55 ATOM 3477 C4 GAL 4106 29.148 43.705 17.180 1.000 20.86 ANISOU 3477 C4 GAL 4106 2495 2536 2701 183 270 -194 ATOM 3478 O4 GAL 4106 28.678 45.048 17.287 1.000 19.55 ANISOU 3478 O4 GAL 4106 1986 2337 2921 -197 160 -236 ATOM 3479 C5 GAL 4106 30.131 43.605 16.018 1.000 21.56 ANISOU 3479 C5 GAL 4106 2474 2612 2906 -188 400 -317 ATOM 3480 O5 GAL 4106 31.144 44.613 16.262 1.000 23.16 ANISOU 3480 O5 GAL 4106 2751 2647 3185 -381 80 -60 ATOM 3481 C6 GAL 4106 29.483 43.969 14.687 1.000 22.99 ANISOU 3481 C6 GAL 4106 2385 3468 2667 -14 512 -531 ATOM 3482 O6 GAL 4106 30.418 43.995 13.615 1.000 23.41 ANISOU 3482 O6 GAL 4106 2292 3436 2947 -297 675 -514 ATOM 3483 C1 GLC 4107 36.728 46.364 18.623 1.000 22.47 ANISOU 3483 C1 GLC 4107 2422 2617 3286 -741 352 -146 ATOM 3484 O1 GLC 4107 37.836 46.079 19.510 1.000 20.73 ANISOU 3484 O1 GLC 4107 2147 2471 3062 -1020 528 -307 ATOM 3485 C2 GLC 4107 36.470 45.042 17.892 1.000 23.72 ANISOU 3485 C2 GLC 4107 2656 2894 3239 -477 46 -493 ATOM 3486 O2 GLC 4107 37.471 44.870 16.894 1.000 31.01 ANISOU 3486 O2 GLC 4107 3380 3744 4366 911 727 -421 ATOM 3487 C3 GLC 4107 35.142 45.024 17.152 1.000 25.13 ANISOU 3487 C3 GLC 4107 3001 3100 3212 -92 -202 -715 ATOM 3488 O3 GLC 4107 34.908 43.746 16.584 1.000 29.28 ANISOU 3488 O3 GLC 4107 3542 3510 3800 -698 -138 -1129 ATOM 3489 C4 GLC 4107 34.033 45.358 18.168 1.000 25.07 ANISOU 3489 C4 GLC 4107 2720 3101 3469 -159 -40 -290 ATOM 3490 O4 GLC 4107 32.835 45.478 17.402 1.000 25.51 ANISOU 3490 O4 GLC 4107 2800 2990 3662 -556 -139 131 ATOM 3491 C5 GLC 4107 34.347 46.706 18.792 1.000 24.20 ANISOU 3491 C5 GLC 4107 2597 3190 3182 12 130 -449 ATOM 3492 O5 GLC 4107 35.606 46.635 19.468 1.000 23.30 ANISOU 3492 O5 GLC 4107 2552 2804 3278 -119 164 -169 ATOM 3493 C6 GLC 4107 33.257 47.174 19.783 1.000 24.18 ANISOU 3493 C6 GLC 4107 2589 3258 3114 -151 384 -38 ATOM 3494 O6 GLC 4107 33.105 46.266 20.831 1.000 29.24 ANISOU 3494 O6 GLC 4107 3548 4121 3166 -1947 -245 202 ATOM 3495 C1 SIA 4108 27.548 43.223 21.397 1.000 23.35 ANISOU 3495 C1 SIA 4108 2498 3634 2520 365 -25 24 ATOM 3496 O1A SIA 4108 26.518 43.898 21.026 1.000 20.89 ANISOU 3496 O1A SIA 4108 1652 3051 3039 -429 -227 -60 ATOM 3497 O1B SIA 4108 27.939 43.048 22.572 1.000 20.60 ANISOU 3497 O1B SIA 4108 1841 3308 2485 -504 142 456 ATOM 3498 C2 SIA 4108 28.382 42.554 20.297 1.000 21.87 ANISOU 3498 C2 SIA 4108 2757 2589 2756 -10 179 -8 ATOM 3499 C3 SIA 4108 29.322 41.569 20.940 1.000 22.84 ANISOU 3499 C3 SIA 4108 2896 2536 3031 31 -15 -57 ATOM 3500 C4 SIA 4108 28.588 40.419 21.610 1.000 23.68 ANISOU 3500 C4 SIA 4108 2884 2901 2989 30 -230 303 ATOM 3501 O4 SIA 4108 29.534 39.379 21.912 1.000 25.40 ANISOU 3501 O4 SIA 4108 3160 2539 3713 -12 -842 -3 ATOM 3502 C5 SIA 4108 27.530 39.793 20.690 1.000 23.28 ANISOU 3502 C5 SIA 4108 2576 2900 3152 -3 -155 316 ATOM 3503 N5 SIA 4108 26.764 38.830 21.480 1.000 21.15 ANISOU 3503 N5 SIA 4108 2627 2610 2601 282 101 32 ATOM 3504 C10 SIA 4108 26.232 37.716 20.977 1.000 21.55 ANISOU 3504 C10 SIA 4108 2856 2405 2727 311 149 158 ATOM 3505 O10 SIA 4108 26.344 37.428 19.748 1.000 25.29 ANISOU 3505 O10 SIA 4108 3089 3591 2692 -1336 88 -44 ATOM 3506 C11 SIA 4108 25.476 36.832 22.002 1.000 20.24 ANISOU 3506 C11 SIA 4108 2267 2608 2626 445 212 34 ATOM 3507 C6 SIA 4108 26.643 40.877 20.076 1.000 21.42 ANISOU 3507 C6 SIA 4108 2782 2522 2632 21 -63 2 ATOM 3508 O6 SIA 4108 27.475 41.878 19.440 1.000 23.05 ANISOU 3508 O6 SIA 4108 2928 2619 2995 -70 26 14 ATOM 3509 C7 SIA 4108 25.704 40.334 18.987 1.000 22.18 ANISOU 3509 C7 SIA 4108 2430 2747 3043 412 -137 -449 ATOM 3510 O7 SIA 4108 26.383 39.550 17.967 1.000 21.18 ANISOU 3510 O7 SIA 4108 1770 2722 3356 -174 30 -626 ATOM 3511 C8 SIA 4108 25.207 41.572 18.210 1.000 21.23 ANISOU 3511 C8 SIA 4108 2449 2600 2817 4 -299 -446 ATOM 3512 O8 SIA 4108 24.686 42.525 19.109 1.000 19.44 ANISOU 3512 O8 SIA 4108 1947 2560 2696 202 92 84 ATOM 3513 C9 SIA 4108 24.045 41.079 17.325 1.000 23.07 ANISOU 3513 C9 SIA 4108 2455 3018 3076 -652 -359 167 ATOM 3514 O9 SIA 4108 23.711 42.067 16.394 1.000 23.31 ANISOU 3514 O9 SIA 4108 2237 3105 3296 -463 -481 162 Raster3D_3.0-2/./examples/LT.pdb0000664000471100047110000156744011327673235016177 0ustar merrittmerrittHEADER TOXIN COMPND HEAT-LABILE ENTEROTOXIN (LT) FROM E. COLI, WITH BOUND GALACTOSE AUTHOR Ethan A. Merritt, Titia K. Sixma, Wim G. J. Hol ATOM 6 N ALA D 1 28.793 58.018 28.369 1.00 17.53 ATOM 8 CA ALA D 1 29.797 57.918 29.405 1.00 17.73 ATOM 2 C ALA D 1 30.072 56.426 29.581 1.00 19.85 ATOM 3 O ALA D 1 29.198 55.658 29.156 1.00 20.03 ATOM 1 CB ALA D 1 29.245 58.481 30.685 1.00 17.88 ATOM 9 N PRO D 2 31.209 55.939 30.105 1.00 21.64 ATOM 11 CA PRO D 2 31.433 54.521 30.372 1.00 22.43 ATOM 14 C PRO D 2 30.374 53.873 31.263 1.00 22.16 ATOM 15 O PRO D 2 29.704 54.547 32.022 1.00 22.65 ATOM 12 CB PRO D 2 32.814 54.478 30.959 1.00 21.97 ATOM 13 CG PRO D 2 32.921 55.826 31.619 1.00 22.74 ATOM 10 CD PRO D 2 32.360 56.718 30.540 1.00 20.19 ATOM 16 N GLN D 3 30.130 52.579 31.215 1.00 22.89 ATOM 18 CA GLN D 3 29.073 52.018 32.033 1.00 21.26 ATOM 26 C GLN D 3 29.631 51.091 33.082 1.00 18.38 ATOM 27 O GLN D 3 28.835 50.669 33.913 1.00 17.18 ATOM 19 CB GLN D 3 28.085 51.264 31.138 1.00 26.25 ATOM 20 CG GLN D 3 27.243 52.265 30.356 1.00 31.38 ATOM 21 CD GLN D 3 26.278 51.645 29.379 1.00 34.04 ATOM 22 OE1 GLN D 3 25.097 51.455 29.654 1.00 35.92 ATOM 23 NE2 GLN D 3 26.752 51.376 28.179 1.00 35.74 ATOM 28 N THR D 4 30.927 50.731 33.051 1.00 14.41 ATOM 30 CA THR D 4 31.530 49.816 33.991 1.00 13.88 ATOM 35 C THR D 4 32.877 50.416 34.312 1.00 11.89 ATOM 36 O THR D 4 33.372 51.248 33.533 1.00 11.67 ATOM 31 CB THR D 4 31.757 48.417 33.386 1.00 12.93 ATOM 32 OG1 THR D 4 32.616 48.590 32.269 1.00 15.70 ATOM 34 CG2 THR D 4 30.495 47.752 32.902 1.00 11.57 ATOM 37 N ILE D 5 33.481 49.947 35.395 1.00 11.08 ATOM 39 CA ILE D 5 34.792 50.428 35.809 1.00 10.58 ATOM 44 C ILE D 5 35.860 49.966 34.824 1.00 11.45 ATOM 45 O ILE D 5 36.900 50.615 34.669 1.00 13.32 ATOM 40 CB ILE D 5 35.145 49.929 37.270 1.00 8.22 ATOM 42 CG1 ILE D 5 36.356 50.708 37.763 1.00 8.49 ATOM 41 CG2 ILE D 5 35.411 48.429 37.300 1.00 7.98 ATOM 43 CD1 ILE D 5 36.985 50.285 39.080 1.00 8.97 ATOM 46 N THR D 6 35.658 48.840 34.152 1.00 14.56 ATOM 48 CA THR D 6 36.623 48.371 33.174 1.00 17.92 ATOM 53 C THR D 6 36.630 49.274 31.971 1.00 19.05 ATOM 54 O THR D 6 37.698 49.638 31.488 1.00 23.10 ATOM 49 CB THR D 6 36.265 46.968 32.767 1.00 20.60 ATOM 50 OG1 THR D 6 36.268 46.185 33.965 1.00 20.82 ATOM 52 CG2 THR D 6 37.245 46.389 31.769 1.00 24.47 ATOM 55 N GLU D 7 35.454 49.698 31.535 1.00 18.91 ATOM 57 CA GLU D 7 35.347 50.588 30.417 1.00 20.33 ATOM 63 C GLU D 7 35.907 51.953 30.748 1.00 20.06 ATOM 64 O GLU D 7 36.604 52.577 29.961 1.00 17.98 ATOM 58 CB GLU D 7 33.919 50.631 30.091 1.00 24.19 ATOM 59 CG GLU D 7 33.593 51.436 28.868 1.00 32.17 ATOM 60 CD GLU D 7 32.095 51.521 28.578 1.00 37.39 ATOM 61 OE1 GLU D 7 31.343 50.593 28.924 1.00 37.95 ATOM 62 OE2 GLU D 7 31.693 52.534 27.994 1.00 40.87 ATOM 65 N LEU D 8 35.640 52.432 31.949 1.00 20.32 ATOM 67 CA LEU D 8 36.191 53.702 32.364 1.00 18.47 ATOM 72 C LEU D 8 37.710 53.579 32.436 1.00 18.50 ATOM 73 O LEU D 8 38.429 54.390 31.867 1.00 17.65 ATOM 68 CB LEU D 8 35.634 54.099 33.732 1.00 17.57 ATOM 69 CG LEU D 8 36.047 55.435 34.356 1.00 18.12 ATOM 70 CD1 LEU D 8 34.791 56.066 34.909 1.00 16.40 ATOM 71 CD2 LEU D 8 37.177 55.247 35.375 1.00 15.77 ATOM 74 N CYS D 9 38.259 52.552 33.064 1.00 15.37 ATOM 76 CA CYS D 9 39.694 52.450 33.266 1.00 14.69 ATOM 77 C CYS D 9 40.528 52.470 31.989 1.00 15.46 ATOM 78 O CYS D 9 41.657 52.971 31.950 1.00 14.53 ATOM 79 CB CYS D 9 39.900 51.172 34.069 1.00 14.21 ATOM 80 SG CYS D 9 41.466 51.215 34.942 1.00 13.91 ATOM 81 N SER D 10 39.923 51.916 30.942 1.00 18.79 ATOM 83 CA SER D 10 40.475 51.808 29.602 1.00 23.85 ATOM 87 C SER D 10 40.646 53.135 28.914 1.00 22.96 ATOM 88 O SER D 10 41.452 53.230 27.997 1.00 25.98 ATOM 84 CB SER D 10 39.590 50.970 28.692 1.00 28.00 ATOM 85 OG SER D 10 39.555 49.642 29.195 1.00 35.67 ATOM 89 N GLU D 11 39.959 54.186 29.310 1.00 18.77 ATOM 91 CA GLU D 11 40.166 55.441 28.654 1.00 18.83 ATOM 97 C GLU D 11 41.478 56.084 29.037 1.00 19.85 ATOM 98 O GLU D 11 41.826 57.126 28.479 1.00 23.30 ATOM 92 CB GLU D 11 39.050 56.358 29.005 1.00 21.23 ATOM 93 CG GLU D 11 37.706 55.869 28.476 1.00 26.88 ATOM 94 CD GLU D 11 36.571 56.873 28.679 1.00 33.50 ATOM 95 OE1 GLU D 11 36.707 57.818 29.479 1.00 33.51 ATOM 96 OE2 GLU D 11 35.544 56.702 28.011 1.00 37.35 ATOM 99 N TYR D 12 42.251 55.567 29.993 1.00 20.42 ATOM 101 CA TYR D 12 43.436 56.273 30.427 1.00 19.46 ATOM 111 C TYR D 12 44.682 55.438 30.255 1.00 24.08 ATOM 112 O TYR D 12 44.676 54.206 30.238 1.00 25.00 ATOM 102 CB TYR D 12 43.326 56.691 31.909 1.00 17.97 ATOM 103 CG TYR D 12 42.162 57.623 32.204 1.00 13.70 ATOM 104 CD1 TYR D 12 40.921 57.074 32.358 1.00 13.70 ATOM 106 CD2 TYR D 12 42.351 58.982 32.237 1.00 12.86 ATOM 105 CE1 TYR D 12 39.819 57.862 32.534 1.00 12.85 ATOM 107 CE2 TYR D 12 41.263 59.789 32.412 1.00 13.66 ATOM 108 CZ TYR D 12 40.019 59.209 32.557 1.00 15.51 ATOM 109 OH TYR D 12 38.907 59.986 32.740 1.00 16.24 ATOM 113 N ARG D 13 45.788 56.170 30.123 1.00 28.62 ATOM 115 CA ARG D 13 47.103 55.571 30.039 1.00 31.97 ATOM 128 C ARG D 13 47.571 55.254 31.443 1.00 25.46 ATOM 129 O ARG D 13 47.253 55.956 32.417 1.00 23.26 ATOM 116 CB ARG D 13 48.141 56.514 29.401 1.00 41.30 ATOM 117 CG ARG D 13 47.901 56.737 27.905 1.00 53.30 ATOM 118 CD ARG D 13 49.031 57.467 27.136 1.00 63.17 ATOM 119 NE ARG D 13 49.289 56.704 25.910 1.00 72.27 ATOM 121 CZ ARG D 13 48.740 56.954 24.701 1.00 76.63 ATOM 122 NH1 ARG D 13 47.903 57.974 24.481 1.00 78.78 ATOM 125 NH2 ARG D 13 48.890 56.043 23.726 1.00 77.80 ATOM 130 N ASN D 14 48.369 54.193 31.442 1.00 19.87 ATOM 132 CA ASN D 14 49.064 53.700 32.610 1.00 21.22 ATOM 139 C ASN D 14 48.104 53.244 33.693 1.00 19.99 ATOM 140 O ASN D 14 48.319 53.483 34.884 1.00 19.42 ATOM 133 CB ASN D 14 49.970 54.796 33.168 1.00 23.85 ATOM 134 CG ASN D 14 50.971 55.355 32.176 1.00 28.39 ATOM 135 OD1 ASN D 14 51.840 54.672 31.636 1.00 31.37 ATOM 136 ND2 ASN D 14 50.908 56.648 31.896 1.00 29.34 ATOM 141 N THR D 15 47.001 52.623 33.308 1.00 17.57 ATOM 143 CA THR D 15 46.066 52.197 34.297 1.00 16.45 ATOM 148 C THR D 15 45.980 50.691 34.220 1.00 17.15 ATOM 149 O THR D 15 46.521 50.069 33.304 1.00 17.97 ATOM 144 CB THR D 15 44.679 52.840 34.074 1.00 14.38 ATOM 145 OG1 THR D 15 44.297 52.503 32.764 1.00 17.68 ATOM 147 CG2 THR D 15 44.662 54.324 34.366 1.00 13.43 ATOM 150 N GLN D 16 45.344 50.066 35.212 1.00 18.30 ATOM 152 CA GLN D 16 45.169 48.631 35.317 1.00 16.67 ATOM 160 C GLN D 16 43.987 48.398 36.238 1.00 12.99 ATOM 161 O GLN D 16 43.752 49.168 37.167 1.00 9.44 ATOM 153 CB GLN D 16 46.435 48.073 35.909 1.00 19.46 ATOM 154 CG GLN D 16 46.604 46.589 35.889 1.00 25.68 ATOM 155 CD GLN D 16 47.828 46.216 36.704 1.00 31.30 ATOM 156 OE1 GLN D 16 47.852 45.170 37.354 1.00 36.21 ATOM 157 NE2 GLN D 16 48.887 47.026 36.734 1.00 31.59 ATOM 162 N ILE D 17 43.247 47.346 36.004 1.00 13.80 ATOM 164 CA ILE D 17 42.173 46.915 36.874 1.00 14.32 ATOM 169 C ILE D 17 42.750 45.856 37.791 1.00 16.01 ATOM 170 O ILE D 17 43.440 44.941 37.328 1.00 18.64 ATOM 165 CB ILE D 17 41.046 46.327 36.003 1.00 12.81 ATOM 167 CG1 ILE D 17 40.297 47.432 35.305 1.00 12.34 ATOM 166 CG2 ILE D 17 40.114 45.486 36.848 1.00 13.18 ATOM 168 CD1 ILE D 17 39.250 48.190 36.133 1.00 10.32 ATOM 171 N TYR D 18 42.474 45.982 39.078 1.00 17.19 ATOM 173 CA TYR D 18 42.728 44.940 40.065 1.00 13.94 ATOM 183 C TYR D 18 41.401 44.333 40.498 1.00 11.69 ATOM 184 O TYR D 18 40.473 45.079 40.816 1.00 12.14 ATOM 174 CB TYR D 18 43.364 45.481 41.312 1.00 12.97 ATOM 175 CG TYR D 18 44.833 45.727 41.160 1.00 12.94 ATOM 176 CD1 TYR D 18 45.304 46.665 40.279 1.00 11.47 ATOM 178 CD2 TYR D 18 45.680 44.976 41.940 1.00 13.97 ATOM 177 CE1 TYR D 18 46.661 46.858 40.175 1.00 12.71 ATOM 179 CE2 TYR D 18 47.035 45.160 41.842 1.00 15.45 ATOM 180 CZ TYR D 18 47.511 46.102 40.952 1.00 16.21 ATOM 181 OH TYR D 18 48.885 46.234 40.826 1.00 18.97 ATOM 185 N THR D 19 41.295 43.012 40.525 1.00 10.54 ATOM 187 CA THR D 19 40.174 42.273 41.079 1.00 14.09 ATOM 192 C THR D 19 40.575 41.940 42.523 1.00 17.23 ATOM 193 O THR D 19 41.465 41.115 42.776 1.00 19.32 ATOM 188 CB THR D 19 39.976 41.002 40.248 1.00 15.84 ATOM 189 OG1 THR D 19 39.542 41.418 38.955 1.00 18.69 ATOM 191 CG2 THR D 19 38.910 40.118 40.789 1.00 16.13 ATOM 194 N ILE D 20 39.956 42.611 43.489 1.00 16.67 ATOM 196 CA ILE D 20 40.340 42.502 44.886 1.00 14.23 ATOM 201 C ILE D 20 39.441 41.529 45.625 1.00 17.12 ATOM 202 O ILE D 20 39.875 40.561 46.256 1.00 19.02 ATOM 197 CB ILE D 20 40.260 43.903 45.555 1.00 12.88 ATOM 199 CG1 ILE D 20 41.227 44.886 44.880 1.00 11.19 ATOM 198 CG2 ILE D 20 40.508 43.739 47.054 1.00 9.64 ATOM 200 CD1 ILE D 20 42.709 44.527 45.036 1.00 12.55 ATOM 203 N ASN D 21 38.163 41.881 45.596 1.00 20.22 ATOM 205 CA ASN D 21 37.112 41.127 46.235 1.00 23.91 ATOM 212 C ASN D 21 37.366 40.824 47.705 1.00 20.88 ATOM 213 O ASN D 21 37.266 39.704 48.197 1.00 18.46 ATOM 206 CB ASN D 21 36.910 39.871 45.393 1.00 33.27 ATOM 207 CG ASN D 21 35.485 39.404 45.584 1.00 42.78 ATOM 208 OD1 ASN D 21 35.226 38.222 45.374 1.00 48.10 ATOM 209 ND2 ASN D 21 34.468 40.217 45.930 1.00 46.93 ATOM 214 N ASP D 22 37.681 41.879 48.457 1.00 18.51 ATOM 216 CA ASP D 22 38.049 41.738 49.845 1.00 14.70 ATOM 221 C ASP D 22 37.808 43.072 50.531 1.00 14.95 ATOM 222 O ASP D 22 37.622 44.087 49.874 1.00 14.00 ATOM 217 CB ASP D 22 39.527 41.350 49.962 1.00 15.52 ATOM 218 CG ASP D 22 39.954 40.738 51.294 1.00 17.17 ATOM 219 OD1 ASP D 22 39.124 40.226 52.036 1.00 18.90 ATOM 220 OD2 ASP D 22 41.137 40.758 51.595 1.00 20.04 ATOM 223 N LYS D 23 37.753 43.061 51.850 1.00 13.73 ATOM 225 CA LYS D 23 37.614 44.272 52.627 1.00 13.79 ATOM 234 C LYS D 23 38.999 44.815 52.880 1.00 12.00 ATOM 235 O LYS D 23 39.985 44.082 52.729 1.00 10.71 ATOM 226 CB LYS D 23 36.930 43.965 53.935 1.00 13.75 ATOM 227 CG LYS D 23 37.734 43.040 54.800 1.00 19.58 ATOM 228 CD LYS D 23 36.948 42.790 56.083 1.00 26.98 ATOM 229 CE LYS D 23 37.685 42.067 57.221 1.00 30.47 ATOM 230 NZ LYS D 23 38.803 42.858 57.734 1.00 34.72 ATOM 236 N ILE D 24 39.092 46.088 53.247 1.00 11.07 ATOM 238 CA ILE D 24 40.347 46.712 53.535 1.00 9.11 ATOM 243 C ILE D 24 40.852 46.218 54.850 1.00 10.61 ATOM 244 O ILE D 24 40.093 46.138 55.791 1.00 13.11 ATOM 239 CB ILE D 24 40.182 48.241 53.570 1.00 9.53 ATOM 241 CG1 ILE D 24 39.742 48.709 52.172 1.00 9.33 ATOM 240 CG2 ILE D 24 41.496 48.924 53.954 1.00 5.11 ATOM 242 CD1 ILE D 24 39.273 50.168 52.019 1.00 9.12 ATOM 245 N LEU D 25 42.131 45.900 54.885 1.00 12.31 ATOM 247 CA LEU D 25 42.808 45.470 56.084 1.00 12.75 ATOM 252 C LEU D 25 43.270 46.673 56.900 1.00 13.21 ATOM 253 O LEU D 25 43.082 46.682 58.117 1.00 14.66 ATOM 248 CB LEU D 25 44.015 44.603 55.708 1.00 10.28 ATOM 249 CG LEU D 25 44.861 44.197 56.893 1.00 11.52 ATOM 250 CD1 LEU D 25 44.097 43.143 57.627 1.00 12.30 ATOM 251 CD2 LEU D 25 46.194 43.584 56.490 1.00 12.10 ATOM 254 N SER D 26 43.940 47.696 56.354 1.00 11.66 ATOM 256 CA SER D 26 44.319 48.851 57.171 1.00 13.09 ATOM 260 C SER D 26 44.134 50.183 56.436 1.00 15.19 ATOM 261 O SER D 26 44.190 50.215 55.205 1.00 16.08 ATOM 257 CB SER D 26 45.768 48.679 57.611 1.00 15.84 ATOM 258 OG SER D 26 46.753 48.817 56.599 1.00 20.11 ATOM 262 N TYR D 27 43.930 51.281 57.141 1.00 13.24 ATOM 264 CA TYR D 27 43.615 52.575 56.599 1.00 11.64 ATOM 274 C TYR D 27 44.589 53.497 57.302 1.00 14.03 ATOM 275 O TYR D 27 44.563 53.553 58.545 1.00 13.74 ATOM 265 CB TYR D 27 42.170 52.867 56.982 1.00 10.14 ATOM 266 CG TYR D 27 41.728 54.307 56.818 1.00 10.03 ATOM 267 CD1 TYR D 27 41.275 54.730 55.580 1.00 7.72 ATOM 269 CD2 TYR D 27 41.848 55.181 57.894 1.00 7.89 ATOM 268 CE1 TYR D 27 40.953 56.058 55.407 1.00 9.07 ATOM 270 CE2 TYR D 27 41.525 56.512 57.727 1.00 6.81 ATOM 271 CZ TYR D 27 41.085 56.928 56.482 1.00 10.56 ATOM 272 OH TYR D 27 40.778 58.254 56.300 1.00 9.07 ATOM 276 N THR D 28 45.457 54.186 56.572 1.00 12.03 ATOM 278 CA THR D 28 46.347 55.172 57.131 1.00 10.39 ATOM 283 C THR D 28 45.894 56.515 56.533 1.00 14.39 ATOM 284 O THR D 28 45.672 56.590 55.312 1.00 12.07 ATOM 279 CB THR D 28 47.803 54.844 56.735 1.00 10.82 ATOM 280 OG1 THR D 28 48.055 53.563 57.276 1.00 14.22 ATOM 282 CG2 THR D 28 48.847 55.793 57.283 1.00 6.79 ATOM 285 N GLU D 29 45.769 57.572 57.373 1.00 15.97 ATOM 287 CA GLU D 29 45.385 58.934 57.024 1.00 15.93 ATOM 293 C GLU D 29 46.445 59.914 57.534 1.00 16.07 ATOM 294 O GLU D 29 46.771 59.877 58.733 1.00 13.83 ATOM 288 CB GLU D 29 44.056 59.255 57.690 1.00 18.36 ATOM 289 CG GLU D 29 43.433 60.567 57.260 1.00 16.47 ATOM 290 CD GLU D 29 42.179 60.921 58.034 1.00 16.33 ATOM 291 OE1 GLU D 29 41.282 60.096 58.170 1.00 15.94 ATOM 292 OE2 GLU D 29 42.096 62.051 58.482 1.00 15.50 ATOM 295 N SER D 30 46.947 60.811 56.673 1.00 13.43 ATOM 297 CA SER D 30 47.977 61.737 57.052 1.00 12.73 ATOM 301 C SER D 30 47.614 63.189 56.814 1.00 16.57 ATOM 302 O SER D 30 47.033 63.500 55.761 1.00 17.32 ATOM 298 CB SER D 30 49.204 61.386 56.283 1.00 12.41 ATOM 299 OG SER D 30 50.188 62.372 56.464 1.00 12.81 ATOM 303 N MET D 31 47.968 64.093 57.757 1.00 16.66 ATOM 305 CA MET D 31 47.760 65.535 57.588 1.00 14.09 ATOM 310 C MET D 31 49.090 66.273 57.616 1.00 13.71 ATOM 311 O MET D 31 49.144 67.495 57.742 1.00 12.01 ATOM 306 CB MET D 31 46.872 66.122 58.672 1.00 15.41 ATOM 307 CG MET D 31 47.316 65.895 60.109 1.00 17.92 ATOM 308 SD MET D 31 46.498 67.100 61.172 1.00 20.20 ATOM 309 CE MET D 31 47.695 68.404 61.041 1.00 16.19 ATOM 312 N ALA D 32 50.187 65.521 57.499 1.00 15.77 ATOM 314 CA ALA D 32 51.522 66.083 57.435 1.00 16.19 ATOM 316 C ALA D 32 51.704 66.790 56.073 1.00 18.51 ATOM 317 O ALA D 32 51.218 66.328 55.021 1.00 16.29 ATOM 315 CB ALA D 32 52.518 64.956 57.591 1.00 15.53 ATOM 318 N GLY D 33 52.360 67.960 56.112 1.00 17.10 ATOM 320 CA GLY D 33 52.539 68.832 54.967 1.00 19.90 ATOM 321 C GLY D 33 53.194 68.090 53.820 1.00 22.29 ATOM 322 O GLY D 33 54.203 67.421 54.004 1.00 22.41 ATOM 323 N LYS D 34 52.581 68.220 52.648 1.00 22.89 ATOM 325 CA LYS D 34 52.915 67.534 51.414 1.00 26.90 ATOM 334 C LYS D 34 52.737 66.016 51.439 1.00 25.39 ATOM 335 O LYS D 34 53.061 65.352 50.453 1.00 25.00 ATOM 326 CB LYS D 34 54.343 67.900 51.005 1.00 35.08 ATOM 327 CG LYS D 34 54.488 69.405 50.761 1.00 43.31 ATOM 328 CD LYS D 34 55.943 69.817 50.977 1.00 52.86 ATOM 329 CE LYS D 34 56.556 69.404 52.362 1.00 60.90 ATOM 330 NZ LYS D 34 56.042 70.140 53.525 1.00 64.96 ATOM 336 N ARG D 35 52.186 65.402 52.500 1.00 20.25 ATOM 338 CA ARG D 35 51.796 64.008 52.454 1.00 15.46 ATOM 351 C ARG D 35 50.360 63.945 52.924 1.00 13.77 ATOM 352 O ARG D 35 49.972 63.105 53.727 1.00 13.03 ATOM 339 CB ARG D 35 52.638 63.186 53.369 1.00 14.77 ATOM 340 CG ARG D 35 54.082 63.123 52.996 1.00 17.41 ATOM 341 CD ARG D 35 54.186 62.480 51.666 1.00 23.25 ATOM 342 NE ARG D 35 55.585 62.171 51.435 1.00 29.27 ATOM 344 CZ ARG D 35 56.007 61.637 50.271 1.00 34.81 ATOM 345 NH1 ARG D 35 55.170 61.368 49.245 1.00 35.94 ATOM 348 NH2 ARG D 35 57.280 61.265 50.150 1.00 35.88 ATOM 353 N GLU D 36 49.497 64.844 52.505 1.00 13.74 ATOM 355 CA GLU D 36 48.083 64.803 52.913 1.00 17.45 ATOM 361 C GLU D 36 47.377 63.760 52.018 1.00 16.67 ATOM 362 O GLU D 36 46.860 64.091 50.947 1.00 12.33 ATOM 356 CB GLU D 36 47.415 66.181 52.725 1.00 15.61 ATOM 357 CG GLU D 36 48.207 67.313 53.370 1.00 17.11 ATOM 358 CD GLU D 36 49.285 67.984 52.523 1.00 19.06 ATOM 359 OE1 GLU D 36 49.539 67.541 51.399 1.00 16.73 ATOM 360 OE2 GLU D 36 49.861 68.972 53.005 1.00 21.89 ATOM 363 N MET D 37 47.355 62.515 52.467 1.00 17.13 ATOM 365 CA MET D 37 46.978 61.381 51.635 1.00 15.35 ATOM 370 C MET D 37 46.372 60.271 52.475 1.00 15.01 ATOM 371 O MET D 37 46.412 60.363 53.707 1.00 13.82 ATOM 366 CB MET D 37 48.237 60.888 50.926 1.00 15.15 ATOM 367 CG MET D 37 49.242 60.208 51.822 1.00 16.22 ATOM 368 SD MET D 37 50.839 59.907 51.071 1.00 22.70 ATOM 369 CE MET D 37 50.526 58.389 50.215 1.00 20.23 ATOM 372 N VAL D 38 45.820 59.244 51.825 1.00 12.70 ATOM 374 CA VAL D 38 45.275 58.087 52.483 1.00 11.47 ATOM 378 C VAL D 38 45.951 56.881 51.835 1.00 13.01 ATOM 379 O VAL D 38 46.223 56.913 50.636 1.00 15.76 ATOM 375 CB VAL D 38 43.726 58.042 52.296 1.00 10.96 ATOM 376 CG1 VAL D 38 43.160 56.673 52.610 1.00 8.80 ATOM 377 CG2 VAL D 38 43.080 58.989 53.318 1.00 10.15 ATOM 380 N ILE D 39 46.263 55.817 52.566 1.00 11.73 ATOM 382 CA ILE D 39 46.885 54.606 52.065 1.00 11.39 ATOM 387 C ILE D 39 45.997 53.520 52.622 1.00 13.33 ATOM 388 O ILE D 39 45.538 53.589 53.773 1.00 13.64 ATOM 383 CB ILE D 39 48.283 54.432 52.621 1.00 14.04 ATOM 385 CG1 ILE D 39 49.138 55.659 52.319 1.00 14.14 ATOM 384 CG2 ILE D 39 48.921 53.230 51.971 1.00 14.82 ATOM 386 CD1 ILE D 39 50.294 55.857 53.296 1.00 13.91 ATOM 389 N ILE D 40 45.650 52.552 51.790 1.00 13.75 ATOM 391 CA ILE D 40 44.882 51.401 52.247 1.00 11.69 ATOM 396 C ILE D 40 45.630 50.131 51.898 1.00 12.86 ATOM 397 O ILE D 40 46.367 50.153 50.900 1.00 11.78 ATOM 392 CB ILE D 40 43.485 51.364 51.587 1.00 9.70 ATOM 394 CG1 ILE D 40 43.624 51.349 50.077 1.00 8.81 ATOM 393 CG2 ILE D 40 42.670 52.550 52.115 1.00 4.83 ATOM 395 CD1 ILE D 40 42.308 51.073 49.354 1.00 9.49 ATOM 398 N THR D 41 45.539 49.051 52.679 1.00 13.98 ATOM 400 CA THR D 41 46.179 47.802 52.280 1.00 15.68 ATOM 405 C THR D 41 45.215 46.675 52.463 1.00 15.16 ATOM 406 O THR D 41 44.250 46.803 53.227 1.00 16.99 ATOM 401 CB THR D 41 47.425 47.379 53.081 1.00 16.40 ATOM 402 OG1 THR D 41 47.052 47.046 54.399 1.00 18.06 ATOM 404 CG2 THR D 41 48.404 48.516 53.213 1.00 16.82 ATOM 407 N PHE D 42 45.505 45.576 51.766 1.00 15.84 ATOM 409 CA PHE D 42 44.728 44.341 51.833 1.00 14.13 ATOM 417 C PHE D 42 45.562 43.237 52.449 1.00 13.21 ATOM 418 O PHE D 42 46.790 43.369 52.475 1.00 14.27 ATOM 410 CB PHE D 42 44.301 43.966 50.441 1.00 10.70 ATOM 411 CG PHE D 42 43.290 44.984 49.943 1.00 9.35 ATOM 412 CD1 PHE D 42 41.953 44.852 50.281 1.00 9.78 ATOM 413 CD2 PHE D 42 43.707 46.029 49.145 1.00 10.53 ATOM 414 CE1 PHE D 42 41.022 45.776 49.826 1.00 11.86 ATOM 415 CE2 PHE D 42 42.774 46.954 48.694 1.00 13.24 ATOM 416 CZ PHE D 42 41.422 46.833 49.024 1.00 12.84 ATOM 419 N LYS D 43 44.929 42.183 52.967 1.00 13.25 ATOM 421 CA LYS D 43 45.583 41.017 53.535 1.00 16.49 ATOM 430 C LYS D 43 46.585 40.448 52.541 1.00 19.19 ATOM 431 O LYS D 43 47.637 39.938 52.953 1.00 19.33 ATOM 422 CB LYS D 43 44.604 39.885 53.855 1.00 20.04 ATOM 423 CG LYS D 43 43.538 40.262 54.839 1.00 30.16 ATOM 424 CD LYS D 43 42.277 39.376 54.723 1.00 37.58 ATOM 425 CE LYS D 43 40.931 40.084 55.103 1.00 37.40 ATOM 426 NZ LYS D 43 39.773 39.298 54.686 1.00 33.01 ATOM 432 N SER D 44 46.298 40.540 51.222 1.00 18.29 ATOM 434 CA SER D 44 47.216 40.071 50.196 1.00 18.67 ATOM 438 C SER D 44 48.534 40.815 50.239 1.00 20.42 ATOM 439 O SER D 44 49.518 40.423 49.616 1.00 23.44 ATOM 435 CB SER D 44 46.608 40.283 48.850 1.00 17.53 ATOM 436 OG SER D 44 46.349 41.674 48.582 1.00 18.47 ATOM 440 N GLY D 45 48.546 41.944 50.927 1.00 17.37 ATOM 442 CA GLY D 45 49.683 42.795 50.928 1.00 16.62 ATOM 443 C GLY D 45 49.595 43.847 49.838 1.00 17.54 ATOM 444 O GLY D 45 50.486 44.696 49.802 1.00 20.53 ATOM 445 N GLU D 46 48.612 43.922 48.935 1.00 18.25 ATOM 447 CA GLU D 46 48.544 45.021 47.949 1.00 16.40 ATOM 453 C GLU D 46 48.255 46.368 48.650 1.00 14.95 ATOM 454 O GLU D 46 47.412 46.440 49.556 1.00 10.75 ATOM 448 CB GLU D 46 47.449 44.732 46.902 1.00 17.74 ATOM 449 CG GLU D 46 47.639 43.290 46.439 1.00 25.75 ATOM 450 CD GLU D 46 47.153 42.912 45.049 1.00 28.62 ATOM 451 OE1 GLU D 46 45.972 42.605 44.876 1.00 31.53 ATOM 452 OE2 GLU D 46 47.992 42.898 44.149 1.00 30.62 ATOM 455 N THR D 47 48.965 47.426 48.251 1.00 14.20 ATOM 457 CA THR D 47 48.915 48.738 48.861 1.00 14.60 ATOM 462 C THR D 47 48.601 49.761 47.790 1.00 13.73 ATOM 463 O THR D 47 49.172 49.695 46.696 1.00 13.28 ATOM 458 CB THR D 47 50.264 49.069 49.506 1.00 15.91 ATOM 459 OG1 THR D 47 50.508 48.037 50.449 1.00 20.05 ATOM 461 CG2 THR D 47 50.288 50.393 50.268 1.00 15.18 ATOM 464 N PHE D 48 47.678 50.666 48.116 1.00 10.13 ATOM 466 CA PHE D 48 47.226 51.685 47.195 1.00 11.28 ATOM 474 C PHE D 48 47.150 53.012 47.933 1.00 11.73 ATOM 475 O PHE D 48 46.971 52.994 49.159 1.00 13.44 ATOM 467 CB PHE D 48 45.850 51.365 46.671 1.00 8.13 ATOM 468 CG PHE D 48 45.830 50.036 45.957 1.00 10.38 ATOM 469 CD1 PHE D 48 46.244 49.973 44.633 1.00 9.39 ATOM 470 CD2 PHE D 48 45.420 48.903 46.658 1.00 9.93 ATOM 471 CE1 PHE D 48 46.255 48.758 43.991 1.00 9.46 ATOM 472 CE2 PHE D 48 45.440 47.692 46.003 1.00 9.65 ATOM 473 CZ PHE D 48 45.855 47.624 44.679 1.00 9.62 ATOM 476 N GLN D 49 47.239 54.147 47.223 1.00 10.18 ATOM 478 CA GLN D 49 47.130 55.462 47.807 1.00 7.04 ATOM 486 C GLN D 49 46.092 56.295 47.101 1.00 8.76 ATOM 487 O GLN D 49 45.698 56.038 45.955 1.00 9.93 ATOM 479 CB GLN D 49 48.457 56.206 47.707 1.00 9.10 ATOM 480 CG GLN D 49 48.951 56.468 46.257 1.00 10.39 ATOM 481 CD GLN D 49 50.155 57.390 46.095 1.00 12.53 ATOM 482 OE1 GLN D 49 50.232 58.463 46.691 1.00 16.70 ATOM 483 NE2 GLN D 49 51.160 57.063 45.288 1.00 12.27 ATOM 488 N VAL D 50 45.617 57.341 47.761 1.00 10.84 ATOM 490 CA VAL D 50 44.900 58.408 47.085 1.00 10.09 ATOM 494 C VAL D 50 46.000 59.476 47.056 1.00 14.28 ATOM 495 O VAL D 50 46.557 59.811 48.110 1.00 16.40 ATOM 491 CB VAL D 50 43.688 58.926 47.873 1.00 7.79 ATOM 492 CG1 VAL D 50 43.074 60.112 47.099 1.00 3.64 ATOM 493 CG2 VAL D 50 42.651 57.825 47.990 1.00 5.67 ATOM 496 N GLU D 51 46.418 59.942 45.885 1.00 14.66 ATOM 498 CA GLU D 51 47.509 60.882 45.810 1.00 15.16 ATOM 504 C GLU D 51 47.217 62.241 46.443 1.00 16.90 ATOM 505 O GLU D 51 46.078 62.696 46.567 1.00 17.35 ATOM 499 CB GLU D 51 47.873 61.091 44.363 1.00 14.62 ATOM 500 CG GLU D 51 48.818 60.049 43.827 1.00 17.06 ATOM 501 CD GLU D 51 49.232 60.345 42.403 1.00 17.89 ATOM 502 OE1 GLU D 51 48.497 59.986 41.495 1.00 19.61 ATOM 503 OE2 GLU D 51 50.267 60.960 42.206 1.00 20.24 ATOM 506 N VAL D 52 48.313 62.908 46.798 1.00 17.89 ATOM 508 CA VAL D 52 48.327 64.295 47.233 1.00 17.56 ATOM 512 C VAL D 52 47.830 65.089 46.015 1.00 18.79 ATOM 513 O VAL D 52 48.272 64.793 44.893 1.00 18.23 ATOM 509 CB VAL D 52 49.772 64.690 47.575 1.00 17.74 ATOM 510 CG1 VAL D 52 49.879 66.176 47.922 1.00 18.40 ATOM 511 CG2 VAL D 52 50.222 63.882 48.760 1.00 17.88 ATOM 514 N PRO D 53 46.941 66.079 46.068 1.00 18.42 ATOM 516 CA PRO D 53 46.556 66.838 44.887 1.00 21.21 ATOM 519 C PRO D 53 47.784 67.501 44.264 1.00 23.37 ATOM 520 O PRO D 53 48.543 68.149 44.983 1.00 27.37 ATOM 517 CB PRO D 53 45.523 67.801 45.423 1.00 19.83 ATOM 518 CG PRO D 53 44.977 67.131 46.664 1.00 18.82 ATOM 515 CD PRO D 53 46.216 66.492 47.253 1.00 18.72 ATOM 521 N GLY D 54 48.003 67.478 42.962 1.00 25.36 ATOM 523 CA GLY D 54 49.231 68.069 42.446 1.00 27.18 ATOM 524 C GLY D 54 48.961 68.674 41.095 1.00 28.32 ATOM 525 O GLY D 54 47.804 68.762 40.663 1.00 28.97 ATOM 526 N SER D 55 50.045 68.950 40.407 1.00 31.01 ATOM 528 CA SER D 55 49.994 69.521 39.070 1.00 35.30 ATOM 532 C SER D 55 49.370 68.621 38.036 1.00 32.42 ATOM 533 O SER D 55 48.855 69.106 37.031 1.00 33.45 ATOM 529 CB SER D 55 51.391 69.869 38.574 1.00 42.41 ATOM 530 OG SER D 55 52.088 70.593 39.594 1.00 52.52 ATOM 534 N GLN D 56 49.495 67.313 38.231 1.00 28.89 ATOM 536 CA GLN D 56 48.866 66.344 37.354 1.00 27.00 ATOM 544 C GLN D 56 47.364 66.290 37.595 1.00 26.98 ATOM 545 O GLN D 56 46.681 65.521 36.913 1.00 32.87 ATOM 537 CB GLN D 56 49.442 64.929 37.560 1.00 27.26 ATOM 538 CG GLN D 56 49.217 64.119 38.844 1.00 27.41 ATOM 539 CD GLN D 56 49.863 64.633 40.111 1.00 32.11 ATOM 540 OE1 GLN D 56 50.018 65.833 40.321 1.00 32.40 ATOM 541 NE2 GLN D 56 50.209 63.764 41.047 1.00 36.91 ATOM 546 N HIS D 57 46.764 67.039 38.529 1.00 21.28 ATOM 548 CA HIS D 57 45.333 66.901 38.726 1.00 19.96 ATOM 557 C HIS D 57 44.696 68.106 38.078 1.00 21.17 ATOM 558 O HIS D 57 45.265 69.208 38.157 1.00 21.17 ATOM 549 CB HIS D 57 44.982 66.879 40.204 1.00 17.27 ATOM 550 CG HIS D 57 45.488 65.590 40.834 1.00 15.87 ATOM 552 ND1 HIS D 57 46.554 65.347 41.605 1.00 17.90 ATOM 551 CD2 HIS D 57 44.846 64.401 40.655 1.00 15.40 ATOM 554 CE1 HIS D 57 46.576 64.051 41.900 1.00 17.59 ATOM 555 NE2 HIS D 57 45.543 63.510 41.318 1.00 17.42 ATOM 559 N ILE D 58 43.609 67.905 37.331 1.00 20.42 ATOM 561 CA ILE D 58 42.900 69.088 36.895 1.00 23.84 ATOM 566 C ILE D 58 41.955 69.555 38.020 1.00 23.69 ATOM 567 O ILE D 58 41.712 68.857 39.032 1.00 24.66 ATOM 562 CB ILE D 58 42.134 68.811 35.533 1.00 25.21 ATOM 564 CG1 ILE D 58 41.140 67.697 35.626 1.00 23.51 ATOM 563 CG2 ILE D 58 43.209 68.510 34.446 1.00 25.21 ATOM 565 CD1 ILE D 58 40.274 67.743 34.361 1.00 24.72 ATOM 568 N ASP D 59 41.445 70.762 37.872 1.00 21.13 ATOM 570 CA ASP D 59 40.607 71.377 38.862 1.00 27.45 ATOM 575 C ASP D 59 39.435 70.526 39.278 1.00 25.33 ATOM 576 O ASP D 59 39.213 70.338 40.476 1.00 24.26 ATOM 571 CB ASP D 59 40.069 72.719 38.349 1.00 37.33 ATOM 572 CG ASP D 59 41.020 73.911 38.448 1.00 45.81 ATOM 573 OD1 ASP D 59 41.757 73.999 39.440 1.00 48.98 ATOM 574 OD2 ASP D 59 41.014 74.752 37.535 1.00 49.77 ATOM 577 N SER D 60 38.694 69.976 38.308 1.00 21.18 ATOM 579 CA SER D 60 37.549 69.169 38.644 1.00 17.81 ATOM 583 C SER D 60 37.897 67.942 39.479 1.00 14.73 ATOM 584 O SER D 60 37.041 67.432 40.184 1.00 15.56 ATOM 580 CB SER D 60 36.890 68.792 37.353 1.00 17.42 ATOM 581 OG SER D 60 37.749 68.040 36.503 1.00 19.79 ATOM 585 N GLN D 61 39.150 67.487 39.509 1.00 11.75 ATOM 587 CA GLN D 61 39.498 66.309 40.252 1.00 10.25 ATOM 595 C GLN D 61 39.683 66.601 41.718 1.00 13.49 ATOM 596 O GLN D 61 39.630 65.688 42.548 1.00 15.60 ATOM 588 CB GLN D 61 40.766 65.741 39.746 1.00 10.04 ATOM 589 CG GLN D 61 40.595 65.149 38.377 1.00 8.62 ATOM 590 CD GLN D 61 41.896 64.535 37.962 1.00 9.69 ATOM 591 OE1 GLN D 61 42.788 65.231 37.478 1.00 10.41 ATOM 592 NE2 GLN D 61 42.091 63.236 38.147 1.00 11.51 ATOM 597 N LYS D 62 39.863 67.854 42.132 1.00 17.31 ATOM 599 CA LYS D 62 40.156 68.119 43.519 1.00 16.25 ATOM 608 C LYS D 62 38.977 67.817 44.392 1.00 14.86 ATOM 609 O LYS D 62 39.211 67.201 45.436 1.00 14.96 ATOM 600 CB LYS D 62 40.569 69.530 43.675 1.00 20.08 ATOM 601 CG LYS D 62 42.011 69.601 43.253 1.00 26.58 ATOM 602 CD LYS D 62 42.333 71.056 43.011 1.00 34.33 ATOM 603 CE LYS D 62 43.848 71.237 42.820 1.00 42.31 ATOM 604 NZ LYS D 62 44.433 70.470 41.719 1.00 46.23 ATOM 610 N LYS D 63 37.721 68.112 44.051 1.00 12.81 ATOM 612 CA LYS D 63 36.655 67.725 44.946 1.00 15.66 ATOM 621 C LYS D 63 36.418 66.194 44.922 1.00 15.88 ATOM 622 O LYS D 63 35.949 65.587 45.907 1.00 15.69 ATOM 613 CB LYS D 63 35.402 68.530 44.569 1.00 19.07 ATOM 614 CG LYS D 63 34.834 68.188 43.225 1.00 24.37 ATOM 615 CD LYS D 63 33.660 69.099 42.846 1.00 31.09 ATOM 616 CE LYS D 63 33.886 69.534 41.368 1.00 37.40 ATOM 617 NZ LYS D 63 34.221 68.452 40.414 1.00 40.26 ATOM 623 N ALA D 64 36.823 65.524 43.831 1.00 11.23 ATOM 625 CA ALA D 64 36.669 64.087 43.678 1.00 11.00 ATOM 627 C ALA D 64 37.724 63.343 44.456 1.00 9.79 ATOM 628 O ALA D 64 37.452 62.219 44.885 1.00 13.31 ATOM 626 CB ALA D 64 36.786 63.643 42.215 1.00 11.28 ATOM 629 N ILE D 65 38.919 63.911 44.663 1.00 8.65 ATOM 631 CA ILE D 65 39.954 63.351 45.537 1.00 9.51 ATOM 636 C ILE D 65 39.382 63.355 46.957 1.00 10.88 ATOM 637 O ILE D 65 39.403 62.329 47.622 1.00 11.21 ATOM 632 CB ILE D 65 41.231 64.225 45.439 1.00 11.41 ATOM 634 CG1 ILE D 65 41.933 63.895 44.156 1.00 10.76 ATOM 633 CG2 ILE D 65 42.178 63.981 46.580 1.00 10.66 ATOM 635 CD1 ILE D 65 42.846 65.036 43.691 1.00 12.89 ATOM 638 N GLU D 66 38.779 64.443 47.414 1.00 7.66 ATOM 640 CA GLU D 66 38.150 64.503 48.701 1.00 7.88 ATOM 646 C GLU D 66 37.050 63.478 48.883 1.00 10.16 ATOM 647 O GLU D 66 36.998 62.815 49.922 1.00 11.56 ATOM 641 CB GLU D 66 37.573 65.898 48.916 1.00 8.46 ATOM 642 CG GLU D 66 38.659 66.934 49.023 1.00 8.68 ATOM 643 CD GLU D 66 39.818 66.547 49.936 1.00 12.30 ATOM 644 OE1 GLU D 66 39.597 66.357 51.123 1.00 13.35 ATOM 645 OE2 GLU D 66 40.955 66.409 49.470 1.00 16.68 ATOM 648 N ARG D 67 36.147 63.331 47.914 1.00 8.30 ATOM 650 CA ARG D 67 35.123 62.323 47.968 1.00 6.74 ATOM 663 C ARG D 67 35.701 60.908 48.064 1.00 8.83 ATOM 664 O ARG D 67 35.213 60.082 48.859 1.00 12.91 ATOM 651 CB ARG D 67 34.239 62.446 46.730 1.00 5.64 ATOM 652 CG ARG D 67 33.167 61.351 46.552 1.00 6.95 ATOM 653 CD ARG D 67 32.133 61.713 45.480 1.00 5.70 ATOM 654 NE ARG D 67 31.464 62.943 45.872 1.00 6.93 ATOM 656 CZ ARG D 67 30.460 62.899 46.733 1.00 7.08 ATOM 657 NH1 ARG D 67 30.074 61.727 47.208 1.00 7.66 ATOM 660 NH2 ARG D 67 29.863 64.012 47.167 1.00 6.37 ATOM 665 N MET D 68 36.741 60.580 47.308 1.00 7.92 ATOM 667 CA MET D 68 37.330 59.255 47.331 1.00 9.96 ATOM 672 C MET D 68 37.917 58.939 48.714 1.00 9.28 ATOM 673 O MET D 68 37.801 57.832 49.216 1.00 9.07 ATOM 668 CB MET D 68 38.426 59.155 46.233 1.00 10.08 ATOM 669 CG MET D 68 39.132 57.780 46.149 1.00 10.81 ATOM 670 SD MET D 68 37.991 56.417 45.779 1.00 17.42 ATOM 671 CE MET D 68 37.706 56.859 44.089 1.00 11.69 ATOM 674 N LYS D 69 38.517 59.891 49.388 1.00 9.31 ATOM 676 CA LYS D 69 39.020 59.691 50.729 1.00 8.81 ATOM 685 C LYS D 69 37.874 59.376 51.704 1.00 9.33 ATOM 686 O LYS D 69 37.957 58.437 52.537 1.00 10.13 ATOM 677 CB LYS D 69 39.805 60.962 51.110 1.00 7.57 ATOM 678 CG LYS D 69 41.249 60.856 50.653 1.00 6.61 ATOM 679 CD LYS D 69 42.189 61.971 51.120 1.00 5.97 ATOM 680 CE LYS D 69 41.690 63.209 50.447 1.00 9.58 ATOM 681 NZ LYS D 69 42.686 64.270 50.370 1.00 11.17 ATOM 687 N ASP D 70 36.750 60.076 51.528 1.00 8.48 ATOM 689 CA ASP D 70 35.544 59.845 52.340 1.00 8.43 ATOM 694 C ASP D 70 34.995 58.456 52.070 1.00 8.83 ATOM 695 O ASP D 70 34.624 57.755 53.011 1.00 10.66 ATOM 690 CB ASP D 70 34.410 60.826 52.029 1.00 4.91 ATOM 691 CG ASP D 70 34.574 62.306 52.382 1.00 10.60 ATOM 692 OD1 ASP D 70 35.485 62.711 53.099 1.00 13.45 ATOM 693 OD2 ASP D 70 33.751 63.096 51.930 1.00 12.01 ATOM 696 N THR D 71 34.977 57.999 50.816 1.00 8.09 ATOM 698 CA THR D 71 34.493 56.674 50.499 1.00 5.84 ATOM 703 C THR D 71 35.404 55.610 51.062 1.00 6.25 ATOM 704 O THR D 71 34.911 54.616 51.605 1.00 7.16 ATOM 699 CB THR D 71 34.358 56.525 48.965 1.00 6.48 ATOM 700 OG1 THR D 71 33.327 57.457 48.560 1.00 7.76 ATOM 702 CG2 THR D 71 33.932 55.144 48.532 1.00 3.45 ATOM 705 N LEU D 72 36.718 55.770 51.057 1.00 5.87 ATOM 707 CA LEU D 72 37.572 54.717 51.563 1.00 7.20 ATOM 712 C LEU D 72 37.477 54.601 53.055 1.00 8.41 ATOM 713 O LEU D 72 37.614 53.485 53.562 1.00 8.74 ATOM 708 CB LEU D 72 39.039 54.965 51.189 1.00 6.55 ATOM 709 CG LEU D 72 39.270 54.848 49.707 1.00 9.33 ATOM 710 CD1 LEU D 72 40.707 55.178 49.463 1.00 7.42 ATOM 711 CD2 LEU D 72 38.890 53.455 49.203 1.00 8.03 ATOM 714 N ARG D 73 37.283 55.728 53.764 1.00 8.87 ATOM 716 CA ARG D 73 37.136 55.668 55.204 1.00 9.33 ATOM 729 C ARG D 73 35.897 54.893 55.613 1.00 8.16 ATOM 730 O ARG D 73 36.000 53.935 56.406 1.00 9.47 ATOM 717 CB ARG D 73 37.061 57.065 55.804 1.00 10.08 ATOM 718 CG ARG D 73 37.121 57.020 57.352 1.00 8.44 ATOM 719 CD ARG D 73 37.183 58.412 57.921 1.00 7.54 ATOM 720 NE ARG D 73 36.017 59.141 57.468 1.00 10.42 ATOM 722 CZ ARG D 73 36.024 60.464 57.360 1.00 10.38 ATOM 723 NH1 ARG D 73 37.092 61.202 57.683 1.00 8.88 ATOM 726 NH2 ARG D 73 34.959 61.048 56.842 1.00 8.52 ATOM 731 N ILE D 74 34.736 55.237 55.025 1.00 6.21 ATOM 733 CA ILE D 74 33.552 54.531 55.413 1.00 7.27 ATOM 738 C ILE D 74 33.545 53.090 54.912 1.00 9.14 ATOM 739 O ILE D 74 32.991 52.231 55.599 1.00 11.88 ATOM 734 CB ILE D 74 32.342 55.368 54.934 1.00 8.07 ATOM 736 CG1 ILE D 74 31.141 54.775 55.661 1.00 6.57 ATOM 735 CG2 ILE D 74 32.134 55.367 53.416 1.00 7.43 ATOM 737 CD1 ILE D 74 29.878 55.621 55.544 1.00 7.84 ATOM 740 N THR D 75 34.179 52.743 53.782 1.00 10.42 ATOM 742 CA THR D 75 34.279 51.369 53.330 1.00 8.55 ATOM 747 C THR D 75 35.137 50.587 54.315 1.00 10.78 ATOM 748 O THR D 75 34.754 49.465 54.666 1.00 12.43 ATOM 743 CB THR D 75 34.878 51.359 51.915 1.00 9.68 ATOM 744 OG1 THR D 75 33.908 52.084 51.161 1.00 12.72 ATOM 746 CG2 THR D 75 35.133 50.011 51.314 1.00 6.58 ATOM 749 N TYR D 76 36.242 51.137 54.854 1.00 11.84 ATOM 751 CA TYR D 76 37.086 50.430 55.811 1.00 13.06 ATOM 761 C TYR D 76 36.284 50.141 57.078 1.00 15.19 ATOM 762 O TYR D 76 36.172 48.994 57.524 1.00 17.49 ATOM 752 CB TYR D 76 38.353 51.293 56.137 1.00 13.79 ATOM 753 CG TYR D 76 39.137 50.753 57.337 1.00 15.40 ATOM 754 CD1 TYR D 76 39.876 49.580 57.238 1.00 11.35 ATOM 756 CD2 TYR D 76 38.988 51.389 58.562 1.00 14.35 ATOM 755 CE1 TYR D 76 40.443 49.021 58.344 1.00 9.23 ATOM 757 CE2 TYR D 76 39.554 50.826 59.675 1.00 11.74 ATOM 758 CZ TYR D 76 40.251 49.659 59.540 1.00 12.21 ATOM 759 OH TYR D 76 40.702 49.083 60.690 1.00 12.65 ATOM 763 N LEU D 77 35.640 51.194 57.601 1.00 15.50 ATOM 765 CA LEU D 77 34.953 51.118 58.859 1.00 11.38 ATOM 770 C LEU D 77 33.825 50.142 58.814 1.00 14.02 ATOM 771 O LEU D 77 33.629 49.365 59.743 1.00 13.77 ATOM 766 CB LEU D 77 34.458 52.462 59.194 1.00 11.12 ATOM 767 CG LEU D 77 35.548 53.420 59.571 1.00 13.61 ATOM 768 CD1 LEU D 77 34.986 54.824 59.698 1.00 13.38 ATOM 769 CD2 LEU D 77 36.147 52.977 60.877 1.00 13.91 ATOM 772 N THR D 78 33.094 50.122 57.717 1.00 13.54 ATOM 774 CA THR D 78 31.997 49.180 57.653 1.00 13.90 ATOM 779 C THR D 78 32.401 47.767 57.226 1.00 16.12 ATOM 780 O THR D 78 31.549 46.865 57.172 1.00 15.14 ATOM 775 CB THR D 78 30.945 49.764 56.687 1.00 15.44 ATOM 776 OG1 THR D 78 31.571 49.901 55.421 1.00 14.58 ATOM 778 CG2 THR D 78 30.391 51.095 57.168 1.00 14.03 ATOM 781 N GLU D 79 33.682 47.553 56.874 1.00 15.91 ATOM 783 CA GLU D 79 34.190 46.279 56.338 1.00 18.15 ATOM 789 C GLU D 79 33.482 45.751 55.080 1.00 15.23 ATOM 790 O GLU D 79 33.253 44.543 54.881 1.00 13.21 ATOM 784 CB GLU D 79 34.116 45.206 57.383 1.00 19.55 ATOM 785 CG GLU D 79 35.136 45.327 58.444 1.00 27.95 ATOM 786 CD GLU D 79 34.773 44.398 59.596 1.00 34.60 ATOM 787 OE1 GLU D 79 33.974 44.795 60.447 1.00 40.58 ATOM 788 OE2 GLU D 79 35.257 43.271 59.643 1.00 35.96 ATOM 791 N THR D 80 33.148 46.717 54.214 1.00 15.86 ATOM 793 CA THR D 80 32.526 46.477 52.921 1.00 14.38 ATOM 798 C THR D 80 33.599 45.967 51.947 1.00 17.38 ATOM 799 O THR D 80 34.711 46.501 51.928 1.00 17.50 ATOM 794 CB THR D 80 31.921 47.798 52.509 1.00 13.66 ATOM 795 OG1 THR D 80 30.839 47.904 53.424 1.00 16.78 ATOM 797 CG2 THR D 80 31.405 47.918 51.070 1.00 11.94 ATOM 800 N LYS D 81 33.316 44.883 51.198 1.00 19.45 ATOM 802 CA LYS D 81 34.213 44.266 50.228 1.00 20.58 ATOM 811 C LYS D 81 34.331 45.191 49.022 1.00 20.43 ATOM 812 O LYS D 81 33.326 45.696 48.487 1.00 20.88 ATOM 803 CB LYS D 81 33.693 42.969 49.635 1.00 25.42 ATOM 804 CG LYS D 81 34.126 41.646 50.157 1.00 35.63 ATOM 805 CD LYS D 81 33.470 41.455 51.495 1.00 44.26 ATOM 806 CE LYS D 81 33.775 40.075 52.043 1.00 50.98 ATOM 807 NZ LYS D 81 33.123 39.964 53.340 1.00 56.78 ATOM 813 N ILE D 82 35.546 45.414 48.568 1.00 16.93 ATOM 815 CA ILE D 82 35.749 46.149 47.357 1.00 13.90 ATOM 820 C ILE D 82 35.772 45.103 46.275 1.00 13.94 ATOM 821 O ILE D 82 36.287 44.003 46.523 1.00 13.56 ATOM 816 CB ILE D 82 37.031 46.902 47.552 1.00 12.46 ATOM 818 CG1 ILE D 82 36.636 48.094 48.404 1.00 11.79 ATOM 817 CG2 ILE D 82 37.681 47.354 46.259 1.00 12.51 ATOM 819 CD1 ILE D 82 37.811 48.840 48.969 1.00 13.92 ATOM 822 N ASP D 83 35.141 45.414 45.141 1.00 13.34 ATOM 824 CA ASP D 83 35.162 44.511 44.012 1.00 14.04 ATOM 829 C ASP D 83 36.423 44.754 43.189 1.00 12.70 ATOM 830 O ASP D 83 37.313 43.888 43.221 1.00 12.87 ATOM 825 CB ASP D 83 33.896 44.695 43.146 1.00 15.15 ATOM 826 CG ASP D 83 33.816 43.858 41.847 1.00 19.62 ATOM 827 OD1 ASP D 83 34.266 42.725 41.809 1.00 22.28 ATOM 828 OD2 ASP D 83 33.293 44.333 40.843 1.00 23.87 ATOM 831 N LYS D 84 36.576 45.881 42.495 1.00 13.07 ATOM 833 CA LYS D 84 37.702 46.138 41.597 1.00 12.84 ATOM 842 C LYS D 84 38.252 47.512 41.849 1.00 11.35 ATOM 843 O LYS D 84 37.540 48.365 42.385 1.00 12.16 ATOM 834 CB LYS D 84 37.271 46.066 40.137 1.00 15.98 ATOM 835 CG LYS D 84 37.004 44.640 39.722 1.00 19.32 ATOM 836 CD LYS D 84 36.670 44.580 38.254 1.00 23.95 ATOM 837 CE LYS D 84 35.247 44.134 37.978 1.00 28.84 ATOM 838 NZ LYS D 84 34.991 42.836 38.569 1.00 30.62 ATOM 844 N LEU D 85 39.512 47.711 41.517 1.00 11.01 ATOM 846 CA LEU D 85 40.122 49.005 41.631 1.00 12.00 ATOM 851 C LEU D 85 40.672 49.326 40.263 1.00 13.16 ATOM 852 O LEU D 85 41.236 48.454 39.606 1.00 13.04 ATOM 847 CB LEU D 85 41.270 49.009 42.644 1.00 13.29 ATOM 848 CG LEU D 85 40.932 48.943 44.120 1.00 16.21 ATOM 849 CD1 LEU D 85 42.178 48.955 44.964 1.00 15.76 ATOM 850 CD2 LEU D 85 40.109 50.162 44.461 1.00 15.20 ATOM 853 N CYS D 86 40.476 50.543 39.781 1.00 12.41 ATOM 855 CA CYS D 86 41.154 50.982 38.573 1.00 10.45 ATOM 856 C CYS D 86 42.270 51.842 39.161 1.00 12.48 ATOM 857 O CYS D 86 41.965 52.791 39.920 1.00 13.73 ATOM 858 CB CYS D 86 40.220 51.844 37.674 1.00 10.52 ATOM 859 SG CYS D 86 41.097 52.692 36.338 1.00 12.35 ATOM 860 N VAL D 87 43.552 51.574 38.854 1.00 13.33 ATOM 862 CA VAL D 87 44.670 52.316 39.416 1.00 13.95 ATOM 866 C VAL D 87 45.639 52.840 38.348 1.00 15.31 ATOM 867 O VAL D 87 45.712 52.301 37.254 1.00 13.81 ATOM 863 CB VAL D 87 45.458 51.414 40.424 1.00 12.28 ATOM 864 CG1 VAL D 87 44.505 50.819 41.464 1.00 10.64 ATOM 865 CG2 VAL D 87 46.161 50.283 39.683 1.00 11.05 ATOM 868 N TRP D 88 46.366 53.910 38.614 1.00 14.16 ATOM 870 CA TRP D 88 47.466 54.307 37.780 1.00 16.83 ATOM 882 C TRP D 88 48.662 53.552 38.347 1.00 18.82 ATOM 883 O TRP D 88 48.969 53.590 39.549 1.00 13.81 ATOM 871 CB TRP D 88 47.727 55.772 37.879 1.00 16.81 ATOM 872 CG TRP D 88 46.663 56.608 37.189 1.00 16.12 ATOM 876 CD1 TRP D 88 46.684 56.781 35.836 1.00 15.53 ATOM 873 CD2 TRP D 88 45.635 57.297 37.795 1.00 15.67 ATOM 877 NE1 TRP D 88 45.678 57.596 35.585 1.00 15.31 ATOM 874 CE2 TRP D 88 45.045 57.943 36.704 1.00 15.38 ATOM 875 CE3 TRP D 88 45.149 57.497 39.066 1.00 12.55 ATOM 879 CZ2 TRP D 88 43.940 58.758 36.837 1.00 13.84 ATOM 880 CZ3 TRP D 88 44.064 58.347 39.206 1.00 16.06 ATOM 881 CH2 TRP D 88 43.448 58.959 38.115 1.00 15.84 ATOM 884 N ASN D 89 49.332 52.806 37.464 1.00 20.29 ATOM 886 CA ASN D 89 50.435 51.983 37.876 1.00 19.38 ATOM 893 C ASN D 89 51.802 52.581 37.635 1.00 18.64 ATOM 894 O ASN D 89 52.822 51.905 37.753 1.00 20.89 ATOM 887 CB ASN D 89 50.307 50.615 37.195 1.00 22.98 ATOM 888 CG ASN D 89 50.499 50.574 35.688 1.00 24.82 ATOM 889 OD1 ASN D 89 50.782 51.578 35.050 1.00 24.48 ATOM 890 ND2 ASN D 89 50.369 49.420 35.045 1.00 24.54 ATOM 895 N ASN D 90 51.905 53.865 37.355 1.00 17.20 ATOM 897 CA ASN D 90 53.193 54.512 37.242 1.00 17.57 ATOM 904 C ASN D 90 53.398 55.276 38.552 1.00 18.91 ATOM 905 O ASN D 90 54.005 56.339 38.614 1.00 20.21 ATOM 898 CB ASN D 90 53.177 55.479 36.093 1.00 17.64 ATOM 899 CG ASN D 90 52.059 56.534 36.148 1.00 20.85 ATOM 900 OD1 ASN D 90 51.077 56.487 36.901 1.00 22.29 ATOM 901 ND2 ASN D 90 52.092 57.529 35.277 1.00 21.35 ATOM 906 N LYS D 91 52.959 54.763 39.681 1.00 17.27 ATOM 908 CA LYS D 91 52.993 55.468 40.939 1.00 13.70 ATOM 917 C LYS D 91 53.294 54.391 41.937 1.00 15.72 ATOM 918 O LYS D 91 52.881 53.257 41.700 1.00 14.60 ATOM 909 CB LYS D 91 51.635 56.043 41.203 1.00 13.07 ATOM 910 CG LYS D 91 51.742 57.476 41.450 1.00 14.71 ATOM 911 CD LYS D 91 52.092 58.119 40.183 1.00 15.56 ATOM 912 CE LYS D 91 52.498 59.481 40.571 1.00 18.05 ATOM 913 NZ LYS D 91 51.962 60.366 39.562 1.00 19.28 ATOM 919 N THR D 92 54.015 54.642 43.025 1.00 19.27 ATOM 921 CA THR D 92 54.237 53.661 44.088 1.00 21.94 ATOM 926 C THR D 92 53.891 54.307 45.433 1.00 20.55 ATOM 927 O THR D 92 54.484 55.339 45.781 1.00 20.49 ATOM 922 CB THR D 92 55.684 53.189 44.136 1.00 24.16 ATOM 923 OG1 THR D 92 55.956 52.725 42.813 1.00 29.27 ATOM 925 CG2 THR D 92 55.942 52.116 45.194 1.00 24.30 ATOM 928 N PRO D 93 52.918 53.818 46.204 1.00 17.80 ATOM 930 CA PRO D 93 52.047 52.728 45.802 1.00 14.87 ATOM 933 C PRO D 93 51.118 53.164 44.696 1.00 13.46 ATOM 934 O PRO D 93 51.027 54.359 44.424 1.00 15.82 ATOM 931 CB PRO D 93 51.377 52.350 47.080 1.00 14.75 ATOM 932 CG PRO D 93 51.421 53.566 47.983 1.00 14.60 ATOM 929 CD PRO D 93 52.568 54.407 47.490 1.00 15.04 ATOM 935 N ASN D 94 50.458 52.245 44.026 1.00 12.91 ATOM 937 CA ASN D 94 49.621 52.603 42.884 1.00 13.75 ATOM 944 C ASN D 94 48.500 53.515 43.298 1.00 11.85 ATOM 945 O ASN D 94 48.025 53.340 44.421 1.00 12.24 ATOM 938 CB ASN D 94 49.009 51.379 42.266 1.00 13.86 ATOM 939 CG ASN D 94 49.962 50.492 41.489 1.00 17.24 ATOM 940 OD1 ASN D 94 49.541 49.452 40.990 1.00 21.05 ATOM 941 ND2 ASN D 94 51.238 50.786 41.250 1.00 16.24 ATOM 946 N SER D 95 48.063 54.498 42.513 1.00 13.78 ATOM 948 CA SER D 95 46.959 55.312 42.958 1.00 14.54 ATOM 952 C SER D 95 45.613 55.020 42.322 1.00 16.46 ATOM 953 O SER D 95 45.483 54.818 41.106 1.00 14.94 ATOM 949 CB SER D 95 47.270 56.793 42.756 1.00 16.91 ATOM 950 OG SER D 95 47.738 57.046 41.473 1.00 21.25 ATOM 954 N ILE D 96 44.584 55.076 43.170 1.00 14.88 ATOM 956 CA ILE D 96 43.210 54.833 42.772 1.00 12.21 ATOM 961 C ILE D 96 42.696 55.956 41.877 1.00 12.52 ATOM 962 O ILE D 96 42.858 57.170 42.147 1.00 12.35 ATOM 957 CB ILE D 96 42.391 54.693 44.074 1.00 10.24 ATOM 959 CG1 ILE D 96 42.963 53.517 44.862 1.00 11.41 ATOM 958 CG2 ILE D 96 40.918 54.501 43.788 1.00 3.92 ATOM 960 CD1 ILE D 96 42.578 53.606 46.364 1.00 13.27 ATOM 963 N ALA D 97 42.103 55.470 40.777 1.00 12.68 ATOM 965 CA ALA D 97 41.402 56.308 39.809 1.00 9.60 ATOM 967 C ALA D 97 39.911 56.083 40.039 1.00 6.76 ATOM 968 O ALA D 97 39.100 57.013 40.045 1.00 9.95 ATOM 966 CB ALA D 97 41.813 55.881 38.376 1.00 9.67 ATOM 969 N ALA D 98 39.511 54.851 40.307 1.00 9.38 ATOM 971 CA ALA D 98 38.100 54.497 40.447 1.00 9.11 ATOM 973 C ALA D 98 37.955 53.255 41.336 1.00 8.93 ATOM 974 O ALA D 98 38.922 52.487 41.443 1.00 8.36 ATOM 972 CB ALA D 98 37.492 54.193 39.062 1.00 7.94 ATOM 975 N ILE D 99 36.797 53.015 41.972 1.00 9.30 ATOM 977 CA ILE D 99 36.591 51.887 42.870 1.00 8.48 ATOM 982 C ILE D 99 35.236 51.286 42.553 1.00 9.52 ATOM 983 O ILE D 99 34.368 52.057 42.143 1.00 10.89 ATOM 978 CB ILE D 99 36.651 52.391 44.357 1.00 13.23 ATOM 980 CG1 ILE D 99 36.431 51.212 45.271 1.00 16.09 ATOM 979 CG2 ILE D 99 35.574 53.465 44.661 1.00 10.30 ATOM 981 CD1 ILE D 99 36.479 51.608 46.752 1.00 19.70 ATOM 984 N SER D 100 34.962 49.990 42.675 1.00 8.18 ATOM 986 CA SER D 100 33.619 49.524 42.458 1.00 8.65 ATOM 990 C SER D 100 33.348 48.520 43.558 1.00 9.44 ATOM 991 O SER D 100 34.289 47.945 44.114 1.00 8.20 ATOM 987 CB SER D 100 33.452 48.826 41.087 1.00 9.34 ATOM 988 OG SER D 100 34.000 47.499 40.972 1.00 13.61 ATOM 992 N MET D 101 32.101 48.297 43.955 1.00 8.71 ATOM 994 CA MET D 101 31.809 47.313 44.956 1.00 11.12 ATOM 999 C MET D 101 30.413 46.830 44.613 1.00 13.50 ATOM 1000 O MET D 101 29.641 47.550 43.986 1.00 10.49 ATOM 995 CB MET D 101 31.959 47.961 46.346 1.00 14.21 ATOM 996 CG MET D 101 31.693 49.408 46.492 1.00 20.07 ATOM 997 SD MET D 101 32.300 50.003 48.081 1.00 25.31 ATOM 998 CE MET D 101 32.791 51.573 47.450 1.00 21.61 ATOM 1001 N LYS D 102 30.119 45.577 44.942 1.00 16.76 ATOM 1003 CA LYS D 102 28.976 44.798 44.513 1.00 22.88 ATOM 1012 C LYS D 102 28.421 44.073 45.745 1.00 26.69 ATOM 1013 O LYS D 102 29.175 43.648 46.636 1.00 24.44 ATOM 1004 CB LYS D 102 29.541 43.868 43.480 1.00 25.71 ATOM 1005 CG LYS D 102 28.632 42.986 42.727 1.00 34.46 ATOM 1006 CD LYS D 102 29.484 41.866 42.173 1.00 42.69 ATOM 1007 CE LYS D 102 28.598 40.968 41.310 1.00 50.40 ATOM 1008 NZ LYS D 102 28.472 41.501 39.958 1.00 56.33 ATOM 1014 N ASN D 103 27.095 44.046 45.808 1.00 33.37 ATOM 1016 CA ASN D 103 26.335 43.426 46.882 1.00 41.68 ATOM 1023 C ASN D 103 25.750 42.160 46.246 1.00 45.03 ATOM 1024 O ASN D 103 26.526 41.348 45.722 1.00 44.50 ATOM 1017 CB ASN D 103 25.184 44.365 47.366 1.00 45.38 ATOM 1018 CG ASN D 103 25.431 45.201 48.606 1.00 49.19 ATOM 1019 OD1 ASN D 103 26.327 44.964 49.422 1.00 52.71 ATOM 1020 ND2 ASN D 103 24.642 46.257 48.788 1.00 51.28 ATOM 1025 OXT ASN D 103 24.520 42.010 46.229 1.00 48.85 TER ASN D 103 ATOM 1055 N ALA E 1 5.365 74.000 45.011 1.00 24.14 ATOM 1057 CA ALA E 1 6.411 73.127 44.528 1.00 23.38 ATOM 1051 C ALA E 1 5.756 71.754 44.274 1.00 23.22 ATOM 1052 O ALA E 1 4.557 71.640 44.574 1.00 25.99 ATOM 1050 CB ALA E 1 7.487 73.041 45.595 1.00 22.64 ATOM 1058 N PRO E 2 6.409 70.765 43.639 1.00 21.22 ATOM 1060 CA PRO E 2 5.983 69.389 43.495 1.00 20.46 ATOM 1063 C PRO E 2 5.855 68.672 44.811 1.00 20.23 ATOM 1064 O PRO E 2 6.628 68.940 45.725 1.00 21.24 ATOM 1061 CB PRO E 2 7.021 68.761 42.667 1.00 21.90 ATOM 1062 CG PRO E 2 7.601 69.876 41.878 1.00 22.04 ATOM 1059 CD PRO E 2 7.678 70.912 42.949 1.00 21.95 ATOM 1065 N GLN E 3 4.930 67.731 44.890 1.00 17.85 ATOM 1067 CA GLN E 3 4.807 66.990 46.109 1.00 19.13 ATOM 1075 C GLN E 3 5.309 65.602 45.978 1.00 19.27 ATOM 1076 O GLN E 3 5.562 64.988 47.007 1.00 22.98 ATOM 1068 CB GLN E 3 3.393 66.932 46.555 1.00 23.66 ATOM 1069 CG GLN E 3 3.142 68.389 46.836 1.00 31.03 ATOM 1070 CD GLN E 3 1.858 68.797 47.510 1.00 36.09 ATOM 1071 OE1 GLN E 3 1.554 68.426 48.636 1.00 37.88 ATOM 1072 NE2 GLN E 3 1.105 69.663 46.861 1.00 39.53 ATOM 1077 N THR E 4 5.467 65.041 44.792 1.00 16.34 ATOM 1079 CA THR E 4 5.946 63.678 44.667 1.00 17.36 ATOM 1084 C THR E 4 6.994 63.674 43.566 1.00 16.55 ATOM 1085 O THR E 4 7.036 64.570 42.715 1.00 17.49 ATOM 1080 CB THR E 4 4.787 62.727 44.281 1.00 19.10 ATOM 1081 OG1 THR E 4 4.396 63.035 42.957 1.00 18.80 ATOM 1083 CG2 THR E 4 3.558 62.913 45.141 1.00 16.89 ATOM 1086 N ILE E 5 7.805 62.640 43.523 1.00 18.07 ATOM 1088 CA ILE E 5 8.794 62.496 42.489 1.00 17.61 ATOM 1093 C ILE E 5 8.098 62.450 41.145 1.00 19.60 ATOM 1094 O ILE E 5 8.635 63.032 40.196 1.00 21.04 ATOM 1089 CB ILE E 5 9.625 61.209 42.724 1.00 16.81 ATOM 1091 CG1 ILE E 5 10.911 61.313 41.908 1.00 15.98 ATOM 1090 CG2 ILE E 5 8.861 59.950 42.328 1.00 19.16 ATOM 1092 CD1 ILE E 5 11.879 60.137 42.182 1.00 12.88 ATOM 1095 N THR E 6 6.900 61.860 41.006 1.00 20.69 ATOM 1097 CA THR E 6 6.310 61.802 39.678 1.00 21.78 ATOM 1102 C THR E 6 5.880 63.173 39.162 1.00 21.43 ATOM 1103 O THR E 6 5.983 63.455 37.964 1.00 23.23 ATOM 1098 CB THR E 6 5.152 60.820 39.721 1.00 21.98 ATOM 1099 OG1 THR E 6 5.742 59.550 40.025 1.00 23.31 ATOM 1101 CG2 THR E 6 4.393 60.731 38.415 1.00 22.44 ATOM 1104 N GLU E 7 5.528 64.053 40.083 1.00 20.32 ATOM 1106 CA GLU E 7 5.098 65.395 39.757 1.00 22.87 ATOM 1112 C GLU E 7 6.268 66.291 39.350 1.00 21.55 ATOM 1113 O GLU E 7 6.193 67.140 38.474 1.00 18.47 ATOM 1107 CB GLU E 7 4.407 65.836 40.988 1.00 26.20 ATOM 1108 CG GLU E 7 3.536 67.029 40.817 1.00 33.75 ATOM 1109 CD GLU E 7 2.789 67.411 42.093 1.00 38.35 ATOM 1110 OE1 GLU E 7 2.301 66.520 42.814 1.00 38.78 ATOM 1111 OE2 GLU E 7 2.695 68.624 42.330 1.00 42.17 ATOM 1114 N LEU E 8 7.402 66.115 40.011 1.00 21.05 ATOM 1116 CA LEU E 8 8.613 66.842 39.692 1.00 19.49 ATOM 1121 C LEU E 8 9.183 66.349 38.373 1.00 20.43 ATOM 1122 O LEU E 8 9.663 67.140 37.553 1.00 20.09 ATOM 1117 CB LEU E 8 9.494 66.597 40.884 1.00 21.80 ATOM 1118 CG LEU E 8 10.991 66.625 41.094 1.00 25.29 ATOM 1119 CD1 LEU E 8 11.802 67.213 39.962 1.00 25.92 ATOM 1120 CD2 LEU E 8 11.131 67.394 42.415 1.00 24.88 ATOM 1123 N CYS E 9 9.208 65.038 38.146 1.00 17.67 ATOM 1125 CA CYS E 9 9.746 64.514 36.901 1.00 17.43 ATOM 1126 C CYS E 9 9.026 64.945 35.620 1.00 17.01 ATOM 1127 O CYS E 9 9.678 65.147 34.583 1.00 15.94 ATOM 1128 CB CYS E 9 9.753 63.007 36.969 1.00 14.82 ATOM 1129 SG CYS E 9 11.014 62.237 35.932 1.00 16.98 ATOM 1130 N SER E 10 7.710 65.121 35.588 1.00 18.91 ATOM 1132 CA SER E 10 7.101 65.521 34.346 1.00 20.13 ATOM 1136 C SER E 10 7.110 67.005 34.083 1.00 22.80 ATOM 1137 O SER E 10 6.496 67.418 33.081 1.00 26.02 ATOM 1133 CB SER E 10 5.686 64.982 34.284 1.00 22.01 ATOM 1134 OG SER E 10 4.928 65.085 35.461 1.00 25.28 ATOM 1138 N GLU E 11 7.768 67.857 34.892 1.00 21.82 ATOM 1140 CA GLU E 11 7.900 69.237 34.438 1.00 22.95 ATOM 1146 C GLU E 11 9.185 69.400 33.644 1.00 19.83 ATOM 1147 O GLU E 11 9.505 70.483 33.179 1.00 19.89 ATOM 1141 CB GLU E 11 7.911 70.296 35.578 1.00 24.56 ATOM 1142 CG GLU E 11 8.132 69.927 37.004 1.00 29.80 ATOM 1143 CD GLU E 11 8.256 71.136 37.931 1.00 34.78 ATOM 1144 OE1 GLU E 11 9.225 71.899 37.794 1.00 37.01 ATOM 1145 OE2 GLU E 11 7.377 71.306 38.785 1.00 34.74 ATOM 1148 N TYR E 12 9.956 68.346 33.415 1.00 19.84 ATOM 1150 CA TYR E 12 11.195 68.442 32.667 1.00 21.89 ATOM 1160 C TYR E 12 11.041 67.688 31.370 1.00 22.47 ATOM 1161 O TYR E 12 10.270 66.740 31.300 1.00 21.50 ATOM 1151 CB TYR E 12 12.357 67.831 33.476 1.00 23.04 ATOM 1152 CG TYR E 12 12.641 68.684 34.712 1.00 21.27 ATOM 1153 CD1 TYR E 12 13.507 69.742 34.565 1.00 18.95 ATOM 1155 CD2 TYR E 12 11.986 68.442 35.914 1.00 20.47 ATOM 1154 CE1 TYR E 12 13.717 70.580 35.620 1.00 19.16 ATOM 1156 CE2 TYR E 12 12.192 69.283 36.973 1.00 20.13 ATOM 1157 CZ TYR E 12 13.055 70.336 36.795 1.00 19.01 ATOM 1158 OH TYR E 12 13.268 71.202 37.816 1.00 18.49 ATOM 1162 N ARG E 13 11.747 68.110 30.332 1.00 26.43 ATOM 1164 CA ARG E 13 11.775 67.456 29.029 1.00 29.03 ATOM 1177 C ARG E 13 12.822 66.377 29.058 1.00 24.72 ATOM 1178 O ARG E 13 13.851 66.526 29.697 1.00 24.28 ATOM 1165 CB ARG E 13 12.146 68.431 27.926 1.00 37.70 ATOM 1166 CG ARG E 13 11.054 69.399 27.440 1.00 48.16 ATOM 1167 CD ARG E 13 11.551 70.194 26.210 1.00 58.73 ATOM 1168 NE ARG E 13 11.820 69.338 25.038 1.00 67.96 ATOM 1170 CZ ARG E 13 13.050 69.146 24.484 1.00 71.98 ATOM 1171 NH1 ARG E 13 14.169 69.738 24.957 1.00 72.50 ATOM 1174 NH2 ARG E 13 13.169 68.286 23.454 1.00 73.40 ATOM 1179 N ASN E 14 12.543 65.263 28.426 1.00 24.40 ATOM 1181 CA ASN E 14 13.434 64.126 28.308 1.00 24.60 ATOM 1188 C ASN E 14 13.612 63.363 29.619 1.00 22.94 ATOM 1189 O ASN E 14 14.707 62.875 29.925 1.00 23.55 ATOM 1182 CB ASN E 14 14.841 64.542 27.810 1.00 27.96 ATOM 1183 CG ASN E 14 14.866 65.104 26.403 1.00 30.01 ATOM 1184 OD1 ASN E 14 15.122 66.292 26.179 1.00 29.68 ATOM 1185 ND2 ASN E 14 14.618 64.249 25.423 1.00 30.95 ATOM 1190 N THR E 15 12.571 63.198 30.418 1.00 17.82 ATOM 1192 CA THR E 15 12.709 62.517 31.670 1.00 17.95 ATOM 1197 C THR E 15 11.792 61.354 31.630 1.00 20.05 ATOM 1198 O THR E 15 11.000 61.208 30.698 1.00 25.47 ATOM 1193 CB THR E 15 12.357 63.470 32.826 1.00 19.16 ATOM 1194 OG1 THR E 15 11.122 64.133 32.552 1.00 21.34 ATOM 1196 CG2 THR E 15 13.478 64.499 33.002 1.00 17.63 ATOM 1199 N GLN E 16 11.957 60.434 32.553 1.00 21.09 ATOM 1201 CA GLN E 16 10.997 59.375 32.766 1.00 19.30 ATOM 1209 C GLN E 16 11.244 58.744 34.121 1.00 17.95 ATOM 1210 O GLN E 16 12.349 58.813 34.676 1.00 17.20 ATOM 1202 CB GLN E 16 11.108 58.314 31.681 1.00 23.49 ATOM 1203 CG GLN E 16 12.167 57.266 31.794 1.00 28.90 ATOM 1204 CD GLN E 16 11.948 56.264 30.693 1.00 35.77 ATOM 1205 OE1 GLN E 16 12.015 56.614 29.521 1.00 40.02 ATOM 1206 NE2 GLN E 16 11.614 55.013 30.969 1.00 38.62 ATOM 1211 N ILE E 17 10.203 58.141 34.657 1.00 18.17 ATOM 1213 CA ILE E 17 10.243 57.454 35.921 1.00 17.77 ATOM 1218 C ILE E 17 10.465 55.986 35.645 1.00 18.89 ATOM 1219 O ILE E 17 9.922 55.393 34.715 1.00 20.66 ATOM 1214 CB ILE E 17 8.916 57.681 36.689 1.00 17.08 ATOM 1216 CG1 ILE E 17 8.809 59.115 37.190 1.00 19.03 ATOM 1215 CG2 ILE E 17 8.851 56.771 37.899 1.00 18.12 ATOM 1217 CD1 ILE E 17 9.733 59.473 38.376 1.00 20.74 ATOM 1220 N TYR E 18 11.395 55.471 36.431 1.00 18.77 ATOM 1222 CA TYR E 18 11.690 54.084 36.494 1.00 18.66 ATOM 1232 C TYR E 18 11.283 53.723 37.892 1.00 20.62 ATOM 1233 O TYR E 18 11.672 54.419 38.834 1.00 20.56 ATOM 1223 CB TYR E 18 13.138 53.807 36.393 1.00 20.83 ATOM 1224 CG TYR E 18 13.622 53.665 34.977 1.00 21.97 ATOM 1225 CD1 TYR E 18 14.004 54.784 34.276 1.00 24.70 ATOM 1227 CD2 TYR E 18 13.700 52.411 34.420 1.00 23.41 ATOM 1226 CE1 TYR E 18 14.482 54.658 32.991 1.00 25.81 ATOM 1228 CE2 TYR E 18 14.175 52.266 33.135 1.00 26.66 ATOM 1229 CZ TYR E 18 14.562 53.398 32.435 1.00 29.51 ATOM 1230 OH TYR E 18 15.039 53.264 31.144 1.00 35.44 ATOM 1234 N THR E 19 10.495 52.678 38.054 1.00 21.63 ATOM 1236 CA THR E 19 10.150 52.176 39.373 1.00 23.80 ATOM 1241 C THR E 19 11.082 50.991 39.484 1.00 23.27 ATOM 1242 O THR E 19 11.104 50.091 38.632 1.00 26.85 ATOM 1237 CB THR E 19 8.699 51.676 39.496 1.00 25.53 ATOM 1238 OG1 THR E 19 7.800 52.728 39.115 1.00 26.81 ATOM 1240 CG2 THR E 19 8.409 51.261 40.934 1.00 26.19 ATOM 1243 N ILE E 20 11.938 51.137 40.485 1.00 21.22 ATOM 1245 CA ILE E 20 12.976 50.177 40.761 1.00 20.42 ATOM 1250 C ILE E 20 12.575 49.305 41.925 1.00 18.77 ATOM 1251 O ILE E 20 12.522 48.098 41.759 1.00 18.26 ATOM 1246 CB ILE E 20 14.292 50.888 41.084 1.00 19.41 ATOM 1248 CG1 ILE E 20 14.698 51.822 39.946 1.00 19.06 ATOM 1247 CG2 ILE E 20 15.360 49.845 41.288 1.00 19.96 ATOM 1249 CD1 ILE E 20 15.055 51.152 38.608 1.00 18.30 ATOM 1252 N ASN E 21 12.322 49.865 43.096 1.00 17.81 ATOM 1254 CA ASN E 21 11.936 49.120 44.253 1.00 17.92 ATOM 1261 C ASN E 21 12.847 47.936 44.515 1.00 21.26 ATOM 1262 O ASN E 21 12.495 46.751 44.578 1.00 22.43 ATOM 1255 CB ASN E 21 10.511 48.746 44.036 1.00 22.82 ATOM 1256 CG ASN E 21 9.955 48.070 45.264 1.00 28.04 ATOM 1257 OD1 ASN E 21 9.908 48.590 46.383 1.00 30.81 ATOM 1258 ND2 ASN E 21 9.520 46.843 45.037 1.00 30.02 ATOM 1263 N ASP E 22 14.124 48.299 44.618 1.00 21.23 ATOM 1265 CA ASP E 22 15.174 47.334 44.912 1.00 18.77 ATOM 1270 C ASP E 22 16.387 48.120 45.406 1.00 18.12 ATOM 1271 O ASP E 22 16.393 49.341 45.324 1.00 20.72 ATOM 1266 CB ASP E 22 15.520 46.567 43.657 1.00 17.98 ATOM 1267 CG ASP E 22 16.285 45.270 43.838 1.00 19.41 ATOM 1268 OD1 ASP E 22 16.387 44.742 44.943 1.00 19.87 ATOM 1269 OD2 ASP E 22 16.786 44.775 42.830 1.00 21.89 ATOM 1272 N LYS E 23 17.372 47.454 45.979 1.00 16.43 ATOM 1274 CA LYS E 23 18.611 48.016 46.473 1.00 16.87 ATOM 1283 C LYS E 23 19.597 48.083 45.333 1.00 16.34 ATOM 1284 O LYS E 23 19.391 47.378 44.345 1.00 18.97 ATOM 1275 CB LYS E 23 19.217 47.143 47.577 1.00 21.47 ATOM 1276 CG LYS E 23 19.575 45.709 47.174 1.00 27.05 ATOM 1277 CD LYS E 23 20.629 45.042 48.058 1.00 31.59 ATOM 1278 CE LYS E 23 21.195 43.750 47.434 1.00 38.91 ATOM 1279 NZ LYS E 23 21.792 43.932 46.101 1.00 43.12 ATOM 1285 N ILE E 24 20.672 48.857 45.439 1.00 15.25 ATOM 1287 CA ILE E 24 21.659 48.993 44.384 1.00 10.64 ATOM 1292 C ILE E 24 22.461 47.709 44.440 1.00 11.75 ATOM 1293 O ILE E 24 22.747 47.177 45.511 1.00 15.22 ATOM 1288 CB ILE E 24 22.501 50.242 44.688 1.00 8.44 ATOM 1290 CG1 ILE E 24 21.599 51.420 44.566 1.00 5.96 ATOM 1289 CG2 ILE E 24 23.714 50.370 43.770 1.00 9.76 ATOM 1291 CD1 ILE E 24 22.127 52.714 45.219 1.00 6.86 ATOM 1294 N LEU E 25 22.760 47.140 43.279 1.00 12.25 ATOM 1296 CA LEU E 25 23.594 45.971 43.186 1.00 8.20 ATOM 1301 C LEU E 25 25.060 46.397 43.238 1.00 10.03 ATOM 1302 O LEU E 25 25.856 45.851 44.020 1.00 9.87 ATOM 1297 CB LEU E 25 23.272 45.260 41.874 1.00 8.33 ATOM 1298 CG LEU E 25 24.162 44.089 41.530 1.00 11.13 ATOM 1299 CD1 LEU E 25 23.946 43.034 42.568 1.00 13.64 ATOM 1300 CD2 LEU E 25 23.795 43.453 40.212 1.00 10.14 ATOM 1303 N SER E 26 25.459 47.347 42.375 1.00 11.95 ATOM 1305 CA SER E 26 26.823 47.844 42.349 1.00 15.04 ATOM 1309 C SER E 26 26.906 49.374 42.267 1.00 12.99 ATOM 1310 O SER E 26 25.986 50.058 41.810 1.00 14.03 ATOM 1306 CB SER E 26 27.652 47.229 41.158 1.00 16.03 ATOM 1307 OG SER E 26 27.361 47.676 39.856 1.00 16.49 ATOM 1311 N TYR E 27 28.015 49.855 42.818 1.00 8.44 ATOM 1313 CA TYR E 27 28.353 51.245 42.959 1.00 8.25 ATOM 1323 C TYR E 27 29.771 51.362 42.413 1.00 7.81 ATOM 1324 O TYR E 27 30.649 50.639 42.899 1.00 6.12 ATOM 1314 CB TYR E 27 28.301 51.571 44.451 1.00 8.68 ATOM 1315 CG TYR E 27 28.867 52.911 44.884 1.00 7.87 ATOM 1316 CD1 TYR E 27 28.045 54.011 44.897 1.00 5.95 ATOM 1318 CD2 TYR E 27 30.204 53.003 45.224 1.00 8.31 ATOM 1317 CE1 TYR E 27 28.566 55.242 45.248 1.00 6.48 ATOM 1319 CE2 TYR E 27 30.716 54.236 45.573 1.00 9.07 ATOM 1320 CZ TYR E 27 29.898 55.338 45.573 1.00 6.54 ATOM 1321 OH TYR E 27 30.458 56.572 45.853 1.00 9.31 ATOM 1325 N THR E 28 30.002 52.301 41.509 1.00 7.39 ATOM 1327 CA THR E 28 31.320 52.623 41.012 1.00 8.19 ATOM 1332 C THR E 28 31.531 54.111 41.245 1.00 8.22 ATOM 1333 O THR E 28 30.620 54.899 41.001 1.00 8.63 ATOM 1328 CB THR E 28 31.406 52.306 39.505 1.00 10.59 ATOM 1329 OG1 THR E 28 31.128 50.912 39.451 1.00 12.01 ATOM 1331 CG2 THR E 28 32.754 52.628 38.821 1.00 9.03 ATOM 1334 N GLU E 29 32.694 54.543 41.704 1.00 7.46 ATOM 1336 CA GLU E 29 32.964 55.951 41.888 1.00 9.12 ATOM 1342 C GLU E 29 34.296 56.275 41.215 1.00 10.54 ATOM 1343 O GLU E 29 35.267 55.567 41.485 1.00 10.93 ATOM 1337 CB GLU E 29 33.054 56.218 43.347 1.00 10.97 ATOM 1338 CG GLU E 29 33.351 57.667 43.705 1.00 13.04 ATOM 1339 CD GLU E 29 33.645 57.804 45.193 1.00 13.99 ATOM 1340 OE1 GLU E 29 32.932 57.267 46.016 1.00 13.25 ATOM 1341 OE2 GLU E 29 34.619 58.428 45.542 1.00 15.22 ATOM 1344 N SER E 30 34.399 57.296 40.355 1.00 12.66 ATOM 1346 CA SER E 30 35.618 57.657 39.684 1.00 9.74 ATOM 1350 C SER E 30 36.083 59.073 40.044 1.00 10.24 ATOM 1351 O SER E 30 35.283 60.004 40.081 1.00 12.04 ATOM 1347 CB SER E 30 35.374 57.564 38.202 1.00 8.56 ATOM 1348 OG SER E 30 36.503 58.072 37.482 1.00 10.74 ATOM 1352 N MET E 31 37.376 59.239 40.288 1.00 11.65 ATOM 1354 CA MET E 31 37.983 60.528 40.430 1.00 13.80 ATOM 1359 C MET E 31 38.874 60.770 39.190 1.00 15.88 ATOM 1360 O MET E 31 39.726 61.666 39.240 1.00 15.58 ATOM 1355 CB MET E 31 38.827 60.564 41.704 1.00 15.16 ATOM 1356 CG MET E 31 40.016 59.623 41.764 1.00 14.69 ATOM 1357 SD MET E 31 41.151 60.113 43.080 1.00 15.56 ATOM 1358 CE MET E 31 42.242 61.112 42.134 1.00 14.12 ATOM 1361 N ALA E 32 38.765 60.045 38.053 1.00 14.30 ATOM 1363 CA ALA E 32 39.677 60.274 36.933 1.00 14.43 ATOM 1365 C ALA E 32 39.279 61.528 36.139 1.00 13.94 ATOM 1366 O ALA E 32 38.101 61.878 36.096 1.00 13.31 ATOM 1364 CB ALA E 32 39.670 59.067 36.043 1.00 11.70 ATOM 1367 N GLY E 33 40.225 62.287 35.572 1.00 16.17 ATOM 1369 CA GLY E 33 39.985 63.581 34.935 1.00 15.91 ATOM 1370 C GLY E 33 38.917 63.488 33.879 1.00 18.55 ATOM 1371 O GLY E 33 38.971 62.619 33.028 1.00 17.34 ATOM 1372 N LYS E 34 37.904 64.335 33.971 1.00 19.60 ATOM 1374 CA LYS E 34 36.769 64.382 33.052 1.00 22.58 ATOM 1383 C LYS E 34 35.777 63.266 33.282 1.00 18.48 ATOM 1384 O LYS E 34 34.711 63.249 32.665 1.00 17.22 ATOM 1375 CB LYS E 34 37.183 64.319 31.555 1.00 28.84 ATOM 1376 CG LYS E 34 38.115 65.418 31.063 1.00 35.20 ATOM 1377 CD LYS E 34 37.334 66.710 31.034 1.00 43.52 ATOM 1378 CE LYS E 34 38.206 67.952 30.813 1.00 49.76 ATOM 1379 NZ LYS E 34 37.477 69.186 31.140 1.00 52.85 ATOM 1385 N ARG E 35 36.033 62.334 34.197 1.00 16.10 ATOM 1387 CA ARG E 35 35.035 61.321 34.486 1.00 14.38 ATOM 1400 C ARG E 35 34.825 61.212 35.970 1.00 11.80 ATOM 1401 O ARG E 35 34.771 60.125 36.560 1.00 9.32 ATOM 1388 CB ARG E 35 35.439 59.950 33.958 1.00 15.70 ATOM 1389 CG ARG E 35 35.895 59.947 32.523 1.00 20.64 ATOM 1390 CD ARG E 35 35.022 59.221 31.589 1.00 24.10 ATOM 1391 NE ARG E 35 33.995 60.081 31.104 1.00 27.79 ATOM 1393 CZ ARG E 35 33.676 60.073 29.819 1.00 30.50 ATOM 1394 NH1 ARG E 35 34.314 59.282 28.961 1.00 31.45 ATOM 1397 NH2 ARG E 35 32.603 60.763 29.420 1.00 29.91 ATOM 1402 N GLU E 36 34.670 62.369 36.608 1.00 12.20 ATOM 1404 CA GLU E 36 34.458 62.402 38.058 1.00 10.49 ATOM 1410 C GLU E 36 32.958 62.155 38.223 1.00 11.92 ATOM 1411 O GLU E 36 32.137 63.076 38.105 1.00 13.79 ATOM 1405 CB GLU E 36 34.854 63.779 38.635 1.00 7.78 ATOM 1406 CG GLU E 36 36.276 64.168 38.320 1.00 9.10 ATOM 1407 CD GLU E 36 36.478 64.918 37.002 1.00 10.29 ATOM 1408 OE1 GLU E 36 35.551 65.091 36.209 1.00 11.99 ATOM 1409 OE2 GLU E 36 37.592 65.337 36.752 1.00 10.77 ATOM 1412 N MET E 37 32.553 60.919 38.482 1.00 12.84 ATOM 1414 CA MET E 37 31.143 60.526 38.473 1.00 12.06 ATOM 1419 C MET E 37 30.860 59.273 39.294 1.00 11.96 ATOM 1420 O MET E 37 31.768 58.531 39.676 1.00 11.39 ATOM 1415 CB MET E 37 30.709 60.240 37.036 1.00 12.39 ATOM 1416 CG MET E 37 31.550 59.081 36.461 1.00 15.69 ATOM 1417 SD MET E 37 31.289 58.605 34.748 1.00 21.18 ATOM 1418 CE MET E 37 30.600 60.093 34.148 1.00 24.34 ATOM 1421 N VAL E 38 29.585 58.944 39.423 1.00 12.40 ATOM 1423 CA VAL E 38 29.181 57.738 40.086 1.00 12.45 ATOM 1427 C VAL E 38 28.298 56.999 39.072 1.00 11.06 ATOM 1428 O VAL E 38 27.531 57.594 38.312 1.00 10.41 ATOM 1424 CB VAL E 38 28.457 58.187 41.373 1.00 13.16 ATOM 1425 CG1 VAL E 38 27.572 57.109 41.964 1.00 14.93 ATOM 1426 CG2 VAL E 38 29.524 58.503 42.408 1.00 8.32 ATOM 1429 N ILE E 39 28.454 55.687 39.014 1.00 10.28 ATOM 1431 CA ILE E 39 27.624 54.827 38.208 1.00 11.95 ATOM 1436 C ILE E 39 27.040 53.773 39.157 1.00 11.65 ATOM 1437 O ILE E 39 27.795 53.245 39.978 1.00 12.27 ATOM 1432 CB ILE E 39 28.467 54.159 37.121 1.00 14.32 ATOM 1434 CG1 ILE E 39 29.168 55.173 36.282 1.00 13.00 ATOM 1433 CG2 ILE E 39 27.547 53.398 36.197 1.00 14.33 ATOM 1435 CD1 ILE E 39 30.398 54.516 35.663 1.00 16.71 ATOM 1438 N ILE E 40 25.731 53.462 39.102 1.00 10.31 ATOM 1440 CA ILE E 40 25.070 52.429 39.920 1.00 11.43 ATOM 1445 C ILE E 40 24.329 51.454 39.014 1.00 9.69 ATOM 1446 O ILE E 40 23.873 51.867 37.933 1.00 9.71 ATOM 1441 CB ILE E 40 24.022 53.032 40.928 1.00 11.32 ATOM 1443 CG1 ILE E 40 22.886 53.740 40.206 1.00 9.22 ATOM 1442 CG2 ILE E 40 24.772 53.945 41.895 1.00 10.28 ATOM 1444 CD1 ILE E 40 21.820 54.337 41.120 1.00 9.92 ATOM 1447 N THR E 41 24.204 50.181 39.362 1.00 11.50 ATOM 1449 CA THR E 41 23.429 49.232 38.567 1.00 14.93 ATOM 1454 C THR E 41 22.481 48.459 39.489 1.00 15.81 ATOM 1455 O THR E 41 22.716 48.389 40.703 1.00 16.10 ATOM 1450 CB THR E 41 24.269 48.173 37.832 1.00 14.14 ATOM 1451 OG1 THR E 41 24.811 47.363 38.849 1.00 16.40 ATOM 1453 CG2 THR E 41 25.468 48.686 37.052 1.00 12.70 ATOM 1456 N PHE E 42 21.400 47.906 38.934 1.00 15.07 ATOM 1458 CA PHE E 42 20.421 47.115 39.645 1.00 14.46 ATOM 1466 C PHE E 42 20.467 45.708 39.102 1.00 18.27 ATOM 1467 O PHE E 42 20.886 45.466 37.978 1.00 17.42 ATOM 1459 CB PHE E 42 19.033 47.701 39.455 1.00 11.38 ATOM 1460 CG PHE E 42 18.952 49.040 40.164 1.00 12.16 ATOM 1461 CD1 PHE E 42 18.708 49.072 41.514 1.00 9.36 ATOM 1462 CD2 PHE E 42 19.205 50.204 39.469 1.00 10.03 ATOM 1463 CE1 PHE E 42 18.730 50.272 42.180 1.00 12.79 ATOM 1464 CE2 PHE E 42 19.225 51.397 40.147 1.00 11.04 ATOM 1465 CZ PHE E 42 18.993 51.443 41.498 1.00 13.82 ATOM 1468 N LYS E 43 19.998 44.756 39.883 1.00 23.46 ATOM 1470 CA LYS E 43 19.933 43.339 39.557 1.00 27.67 ATOM 1479 C LYS E 43 19.273 43.144 38.201 1.00 27.91 ATOM 1480 O LYS E 43 19.702 42.352 37.370 1.00 27.01 ATOM 1471 CB LYS E 43 19.127 42.686 40.651 1.00 30.62 ATOM 1472 CG LYS E 43 18.943 41.205 40.683 1.00 35.56 ATOM 1473 CD LYS E 43 17.466 41.014 41.101 1.00 42.21 ATOM 1474 CE LYS E 43 17.093 41.406 42.550 1.00 44.65 ATOM 1475 NZ LYS E 43 15.651 41.581 42.720 1.00 45.81 ATOM 1481 N SER E 44 18.220 43.930 37.985 1.00 30.09 ATOM 1483 CA SER E 44 17.450 43.921 36.754 1.00 32.00 ATOM 1487 C SER E 44 18.196 44.342 35.487 1.00 32.60 ATOM 1488 O SER E 44 17.668 44.212 34.372 1.00 36.94 ATOM 1484 CB SER E 44 16.248 44.816 36.971 1.00 32.46 ATOM 1485 OG SER E 44 16.682 46.159 37.161 1.00 34.55 ATOM 1489 N GLY E 45 19.388 44.917 35.625 1.00 29.07 ATOM 1491 CA GLY E 45 20.177 45.264 34.464 1.00 28.05 ATOM 1492 C GLY E 45 20.322 46.738 34.183 1.00 24.50 ATOM 1493 O GLY E 45 21.278 47.099 33.505 1.00 27.17 ATOM 1494 N GLU E 46 19.457 47.613 34.688 1.00 23.81 ATOM 1496 CA GLU E 46 19.605 49.040 34.417 1.00 24.68 ATOM 1502 C GLU E 46 20.853 49.637 35.063 1.00 20.98 ATOM 1503 O GLU E 46 21.186 49.249 36.191 1.00 19.43 ATOM 1497 CB GLU E 46 18.370 49.741 34.903 1.00 29.44 ATOM 1498 CG GLU E 46 17.200 49.299 34.049 1.00 35.87 ATOM 1499 CD GLU E 46 16.016 48.763 34.845 1.00 42.60 ATOM 1500 OE1 GLU E 46 16.153 48.469 36.033 1.00 45.05 ATOM 1501 OE2 GLU E 46 14.927 48.647 34.276 1.00 46.87 ATOM 1504 N THR E 47 21.538 50.501 34.305 1.00 18.70 ATOM 1506 CA THR E 47 22.743 51.200 34.709 1.00 17.03 ATOM 1511 C THR E 47 22.356 52.681 34.713 1.00 17.63 ATOM 1512 O THR E 47 21.668 53.120 33.792 1.00 15.21 ATOM 1507 CB THR E 47 23.892 50.926 33.697 1.00 15.06 ATOM 1508 OG1 THR E 47 24.134 49.541 33.708 1.00 16.36 ATOM 1510 CG2 THR E 47 25.204 51.541 34.082 1.00 11.42 ATOM 1513 N PHE E 48 22.699 53.483 35.728 1.00 16.25 ATOM 1515 CA PHE E 48 22.337 54.883 35.774 1.00 11.39 ATOM 1523 C PHE E 48 23.554 55.635 36.218 1.00 11.04 ATOM 1524 O PHE E 48 24.383 55.044 36.902 1.00 11.37 ATOM 1516 CB PHE E 48 21.258 55.119 36.752 1.00 11.53 ATOM 1517 CG PHE E 48 19.957 54.506 36.292 1.00 12.96 ATOM 1518 CD1 PHE E 48 19.293 55.045 35.224 1.00 11.88 ATOM 1519 CD2 PHE E 48 19.403 53.440 36.976 1.00 14.55 ATOM 1520 CE1 PHE E 48 18.064 54.528 34.850 1.00 12.31 ATOM 1521 CE2 PHE E 48 18.174 52.933 36.587 1.00 13.71 ATOM 1522 CZ PHE E 48 17.496 53.480 35.521 1.00 11.75 ATOM 1525 N GLN E 49 23.748 56.899 35.834 1.00 10.80 ATOM 1527 CA GLN E 49 24.930 57.638 36.252 1.00 11.33 ATOM 1535 C GLN E 49 24.589 58.952 36.996 1.00 11.64 ATOM 1536 O GLN E 49 23.453 59.446 36.915 1.00 9.60 ATOM 1528 CB GLN E 49 25.800 57.956 35.018 1.00 9.38 ATOM 1529 CG GLN E 49 25.105 58.960 34.096 1.00 10.28 ATOM 1530 CD GLN E 49 25.951 59.584 33.004 1.00 12.63 ATOM 1531 OE1 GLN E 49 26.996 60.172 33.285 1.00 14.15 ATOM 1532 NE2 GLN E 49 25.560 59.534 31.735 1.00 12.38 ATOM 1537 N VAL E 50 25.479 59.515 37.819 1.00 9.61 ATOM 1539 CA VAL E 50 25.299 60.892 38.242 1.00 9.64 ATOM 1543 C VAL E 50 26.344 61.521 37.285 1.00 12.25 ATOM 1544 O VAL E 50 27.523 61.121 37.248 1.00 9.48 ATOM 1540 CB VAL E 50 25.688 61.145 39.741 1.00 9.47 ATOM 1541 CG1 VAL E 50 25.655 62.642 40.069 1.00 6.57 ATOM 1542 CG2 VAL E 50 24.638 60.504 40.656 1.00 8.67 ATOM 1545 N GLU E 51 25.878 62.481 36.467 1.00 13.09 ATOM 1547 CA GLU E 51 26.699 63.154 35.472 1.00 12.41 ATOM 1553 C GLU E 51 27.865 63.964 36.008 1.00 12.14 ATOM 1554 O GLU E 51 27.711 64.532 37.090 1.00 13.93 ATOM 1548 CB GLU E 51 25.818 64.079 34.651 1.00 11.52 ATOM 1549 CG GLU E 51 25.209 63.281 33.552 1.00 10.49 ATOM 1550 CD GLU E 51 24.503 64.252 32.646 1.00 12.98 ATOM 1551 OE1 GLU E 51 25.167 64.859 31.821 1.00 16.71 ATOM 1552 OE2 GLU E 51 23.302 64.419 32.778 1.00 11.90 ATOM 1555 N VAL E 52 29.007 64.019 35.288 1.00 12.03 ATOM 1557 CA VAL E 52 30.140 64.925 35.576 1.00 14.60 ATOM 1561 C VAL E 52 29.543 66.357 35.629 1.00 13.64 ATOM 1562 O VAL E 52 28.722 66.666 34.747 1.00 12.61 ATOM 1558 CB VAL E 52 31.209 64.840 34.430 1.00 15.17 ATOM 1559 CG1 VAL E 52 32.416 65.706 34.733 1.00 13.13 ATOM 1560 CG2 VAL E 52 31.726 63.433 34.315 1.00 16.24 ATOM 1563 N PRO E 53 29.782 67.286 36.579 1.00 10.35 ATOM 1565 CA PRO E 53 29.242 68.645 36.538 1.00 10.66 ATOM 1568 C PRO E 53 29.648 69.289 35.219 1.00 16.30 ATOM 1569 O PRO E 53 30.769 69.064 34.759 1.00 21.01 ATOM 1566 CB PRO E 53 29.844 69.333 37.729 1.00 10.18 ATOM 1567 CG PRO E 53 30.097 68.183 38.667 1.00 10.75 ATOM 1564 CD PRO E 53 30.637 67.107 37.733 1.00 10.64 ATOM 1570 N GLY E 54 28.854 70.117 34.562 1.00 19.00 ATOM 1572 CA GLY E 54 29.283 70.630 33.259 1.00 19.82 ATOM 1573 C GLY E 54 28.525 71.900 32.892 1.00 20.75 ATOM 1574 O GLY E 54 27.701 72.352 33.693 1.00 20.87 ATOM 1575 N SER E 55 28.697 72.413 31.676 1.00 19.31 ATOM 1577 CA SER E 55 28.081 73.646 31.200 1.00 20.79 ATOM 1581 C SER E 55 26.580 73.664 31.283 1.00 17.80 ATOM 1582 O SER E 55 25.998 74.731 31.401 1.00 16.90 ATOM 1578 CB SER E 55 28.423 73.912 29.736 1.00 20.91 ATOM 1579 OG SER E 55 29.738 73.472 29.449 1.00 27.14 ATOM 1583 N GLN E 56 25.939 72.511 31.208 1.00 17.39 ATOM 1585 CA GLN E 56 24.507 72.482 31.238 1.00 18.32 ATOM 1593 C GLN E 56 23.993 72.562 32.648 1.00 18.24 ATOM 1594 O GLN E 56 22.778 72.548 32.847 1.00 22.49 ATOM 1586 CB GLN E 56 23.977 71.206 30.589 1.00 17.18 ATOM 1587 CG GLN E 56 24.015 69.949 31.430 1.00 20.24 ATOM 1588 CD GLN E 56 25.322 69.199 31.467 1.00 21.85 ATOM 1589 OE1 GLN E 56 26.367 69.803 31.283 1.00 24.38 ATOM 1590 NE2 GLN E 56 25.381 67.897 31.737 1.00 22.21 ATOM 1595 N HIS E 57 24.837 72.627 33.659 1.00 14.67 ATOM 1597 CA HIS E 57 24.292 72.609 34.993 1.00 13.88 ATOM 1606 C HIS E 57 24.258 74.015 35.540 1.00 12.99 ATOM 1607 O HIS E 57 25.234 74.724 35.361 1.00 14.39 ATOM 1598 CB HIS E 57 25.143 71.715 35.869 1.00 13.27 ATOM 1599 CG HIS E 57 25.024 70.236 35.539 1.00 13.58 ATOM 1601 ND1 HIS E 57 25.972 69.396 35.100 1.00 14.11 ATOM 1600 CD2 HIS E 57 23.868 69.521 35.719 1.00 12.55 ATOM 1603 CE1 HIS E 57 25.447 68.194 35.018 1.00 12.95 ATOM 1604 NE2 HIS E 57 24.197 68.295 35.390 1.00 14.13 ATOM 1608 N ILE E 58 23.166 74.502 36.131 1.00 14.65 ATOM 1610 CA ILE E 58 23.163 75.809 36.777 1.00 13.22 ATOM 1615 C ILE E 58 23.898 75.739 38.126 1.00 17.61 ATOM 1616 O ILE E 58 24.217 74.640 38.608 1.00 16.11 ATOM 1611 CB ILE E 58 21.713 76.359 36.994 1.00 12.48 ATOM 1613 CG1 ILE E 58 20.786 75.400 37.701 1.00 12.79 ATOM 1612 CG2 ILE E 58 21.167 76.697 35.627 1.00 12.70 ATOM 1614 CD1 ILE E 58 19.400 76.003 37.931 1.00 9.05 ATOM 1617 N ASP E 59 24.178 76.871 38.792 1.00 19.41 ATOM 1619 CA ASP E 59 24.979 76.854 39.988 1.00 20.38 ATOM 1624 C ASP E 59 24.285 76.075 41.077 1.00 18.43 ATOM 1625 O ASP E 59 24.941 75.245 41.719 1.00 22.11 ATOM 1620 CB ASP E 59 25.260 78.284 40.461 1.00 23.65 ATOM 1621 CG ASP E 59 25.869 78.325 41.856 1.00 27.37 ATOM 1622 OD1 ASP E 59 27.053 78.026 42.049 1.00 31.59 ATOM 1623 OD2 ASP E 59 25.127 78.632 42.778 1.00 29.40 ATOM 1626 N SER E 60 22.984 76.244 41.305 1.00 16.13 ATOM 1628 CA SER E 60 22.286 75.470 42.336 1.00 16.38 ATOM 1632 C SER E 60 22.374 73.934 42.198 1.00 15.77 ATOM 1633 O SER E 60 22.340 73.173 43.167 1.00 17.29 ATOM 1629 CB SER E 60 20.830 75.972 42.340 1.00 17.67 ATOM 1630 OG SER E 60 20.242 76.108 41.047 1.00 18.02 ATOM 1634 N GLN E 61 22.524 73.412 40.978 1.00 16.11 ATOM 1636 CA GLN E 61 22.686 71.988 40.711 1.00 16.51 ATOM 1644 C GLN E 61 24.069 71.468 41.026 1.00 16.37 ATOM 1645 O GLN E 61 24.178 70.297 41.398 1.00 17.52 ATOM 1637 CB GLN E 61 22.453 71.591 39.253 1.00 14.48 ATOM 1638 CG GLN E 61 21.028 71.690 38.814 1.00 15.34 ATOM 1639 CD GLN E 61 20.932 71.271 37.366 1.00 16.50 ATOM 1640 OE1 GLN E 61 21.367 71.968 36.454 1.00 20.72 ATOM 1641 NE2 GLN E 61 20.384 70.104 37.130 1.00 16.60 ATOM 1646 N LYS E 62 25.122 72.290 40.914 1.00 17.80 ATOM 1648 CA LYS E 62 26.491 71.862 41.192 1.00 17.88 ATOM 1657 C LYS E 62 26.568 71.416 42.658 1.00 19.96 ATOM 1658 O LYS E 62 27.237 70.428 42.988 1.00 21.12 ATOM 1649 CB LYS E 62 27.489 72.983 41.024 1.00 18.88 ATOM 1650 CG LYS E 62 27.354 73.806 39.775 1.00 22.21 ATOM 1651 CD LYS E 62 28.174 73.444 38.560 1.00 22.50 ATOM 1652 CE LYS E 62 28.788 74.799 38.342 1.00 23.28 ATOM 1653 NZ LYS E 62 28.955 75.067 36.951 1.00 24.65 ATOM 1659 N LYS E 63 25.828 72.077 43.571 1.00 18.49 ATOM 1661 CA LYS E 63 25.792 71.673 44.965 1.00 16.03 ATOM 1670 C LYS E 63 24.938 70.416 45.187 1.00 13.68 ATOM 1671 O LYS E 63 25.355 69.469 45.836 1.00 16.00 ATOM 1662 CB LYS E 63 25.310 72.915 45.754 1.00 19.48 ATOM 1663 CG LYS E 63 23.851 72.921 46.146 1.00 26.69 ATOM 1664 CD LYS E 63 23.473 74.060 47.094 1.00 31.73 ATOM 1665 CE LYS E 63 21.946 74.183 47.145 1.00 36.02 ATOM 1666 NZ LYS E 63 21.381 74.669 45.886 1.00 38.44 ATOM 1672 N ALA E 64 23.787 70.286 44.537 1.00 11.66 ATOM 1674 CA ALA E 64 22.911 69.163 44.659 1.00 7.47 ATOM 1676 C ALA E 64 23.518 67.942 44.013 1.00 10.05 ATOM 1677 O ALA E 64 23.169 66.834 44.416 1.00 12.50 ATOM 1675 CB ALA E 64 21.598 69.493 43.987 1.00 8.02 ATOM 1678 N ILE E 65 24.403 68.030 43.029 1.00 7.78 ATOM 1680 CA ILE E 65 25.086 66.876 42.433 1.00 9.57 ATOM 1685 C ILE E 65 25.950 66.206 43.522 1.00 11.56 ATOM 1686 O ILE E 65 25.984 64.974 43.623 1.00 11.06 ATOM 1681 CB ILE E 65 26.010 67.334 41.221 1.00 12.13 ATOM 1683 CG1 ILE E 65 25.136 67.663 40.019 1.00 15.49 ATOM 1682 CG2 ILE E 65 27.006 66.258 40.769 1.00 10.92 ATOM 1684 CD1 ILE E 65 25.981 68.415 38.969 1.00 14.49 ATOM 1687 N GLU E 66 26.651 66.967 44.387 1.00 12.71 ATOM 1689 CA GLU E 66 27.510 66.368 45.388 1.00 11.31 ATOM 1695 C GLU E 66 26.670 65.704 46.484 1.00 10.31 ATOM 1696 O GLU E 66 27.068 64.646 46.990 1.00 9.34 ATOM 1690 CB GLU E 66 28.430 67.433 46.003 1.00 15.07 ATOM 1691 CG GLU E 66 29.536 68.043 45.156 1.00 15.34 ATOM 1692 CD GLU E 66 30.508 67.070 44.489 1.00 20.83 ATOM 1693 OE1 GLU E 66 31.428 66.612 45.176 1.00 24.38 ATOM 1694 OE2 GLU E 66 30.351 66.805 43.278 1.00 19.20 ATOM 1697 N ARG E 67 25.516 66.292 46.857 1.00 7.74 ATOM 1699 CA ARG E 67 24.607 65.718 47.831 1.00 8.07 ATOM 1712 C ARG E 67 24.125 64.369 47.305 1.00 11.08 ATOM 1713 O ARG E 67 24.134 63.379 48.037 1.00 14.20 ATOM 1700 CB ARG E 67 23.412 66.606 48.033 1.00 3.62 ATOM 1701 CG ARG E 67 22.471 66.006 49.035 1.00 5.70 ATOM 1702 CD ARG E 67 21.375 67.003 49.410 1.00 8.40 ATOM 1703 NE ARG E 67 21.964 68.144 50.122 1.00 10.69 ATOM 1705 CZ ARG E 67 22.346 68.060 51.390 1.00 11.33 ATOM 1706 NH1 ARG E 67 22.179 66.924 52.046 1.00 10.07 ATOM 1709 NH2 ARG E 67 22.987 69.067 51.984 1.00 11.19 ATOM 1714 N MET E 68 23.756 64.276 46.024 1.00 12.37 ATOM 1716 CA MET E 68 23.223 63.046 45.422 1.00 15.56 ATOM 1721 C MET E 68 24.226 61.911 45.477 1.00 13.03 ATOM 1722 O MET E 68 23.885 60.783 45.858 1.00 13.08 ATOM 1717 CB MET E 68 22.795 63.328 43.958 1.00 15.56 ATOM 1718 CG MET E 68 22.172 62.184 43.141 1.00 17.76 ATOM 1719 SD MET E 68 20.653 61.543 43.892 1.00 22.77 ATOM 1720 CE MET E 68 19.510 62.810 43.405 1.00 14.37 ATOM 1723 N LYS E 69 25.488 62.227 45.168 1.00 12.25 ATOM 1725 CA LYS E 69 26.511 61.203 45.250 1.00 12.05 ATOM 1734 C LYS E 69 26.696 60.706 46.675 1.00 13.35 ATOM 1735 O LYS E 69 26.930 59.502 46.874 1.00 15.17 ATOM 1726 CB LYS E 69 27.798 61.755 44.689 1.00 10.67 ATOM 1727 CG LYS E 69 27.756 61.732 43.163 1.00 8.10 ATOM 1728 CD LYS E 69 29.065 62.194 42.514 1.00 5.77 ATOM 1729 CE LYS E 69 29.141 63.714 42.727 1.00 9.08 ATOM 1730 NZ LYS E 69 30.292 64.222 41.991 1.00 9.00 ATOM 1736 N ASP E 70 26.567 61.560 47.697 1.00 12.46 ATOM 1738 CA ASP E 70 26.613 61.123 49.099 1.00 13.72 ATOM 1743 C ASP E 70 25.406 60.253 49.470 1.00 13.61 ATOM 1744 O ASP E 70 25.545 59.241 50.175 1.00 11.75 ATOM 1739 CB ASP E 70 26.605 62.308 50.075 1.00 14.49 ATOM 1740 CG ASP E 70 27.824 63.202 50.076 1.00 14.86 ATOM 1741 OD1 ASP E 70 28.874 62.819 49.570 1.00 14.21 ATOM 1742 OD2 ASP E 70 27.692 64.308 50.586 1.00 17.83 ATOM 1745 N THR E 71 24.205 60.611 48.982 1.00 12.72 ATOM 1747 CA THR E 71 23.034 59.814 49.277 1.00 12.60 ATOM 1752 C THR E 71 23.192 58.433 48.674 1.00 14.82 ATOM 1753 O THR E 71 22.932 57.428 49.349 1.00 16.01 ATOM 1748 CB THR E 71 21.802 60.473 48.701 1.00 10.77 ATOM 1749 OG1 THR E 71 21.764 61.755 49.312 1.00 10.64 ATOM 1751 CG2 THR E 71 20.524 59.718 48.972 1.00 7.50 ATOM 1754 N LEU E 72 23.657 58.355 47.427 1.00 13.86 ATOM 1756 CA LEU E 72 23.788 57.046 46.786 1.00 12.20 ATOM 1761 C LEU E 72 24.818 56.165 47.449 1.00 11.59 ATOM 1762 O LEU E 72 24.566 54.958 47.514 1.00 15.02 ATOM 1757 CB LEU E 72 24.139 57.211 45.311 1.00 12.97 ATOM 1758 CG LEU E 72 22.996 57.827 44.465 1.00 13.60 ATOM 1759 CD1 LEU E 72 23.569 58.032 43.086 1.00 12.14 ATOM 1760 CD2 LEU E 72 21.729 56.979 44.433 1.00 9.83 ATOM 1763 N ARG E 73 25.922 56.717 48.005 1.00 7.99 ATOM 1765 CA ARG E 73 26.935 55.908 48.660 1.00 8.12 ATOM 1778 C ARG E 73 26.349 55.211 49.894 1.00 11.03 ATOM 1779 O ARG E 73 26.410 53.982 50.016 1.00 13.23 ATOM 1766 CB ARG E 73 28.109 56.800 49.058 1.00 5.66 ATOM 1767 CG ARG E 73 29.246 55.925 49.589 1.00 5.58 ATOM 1768 CD ARG E 73 29.977 56.714 50.653 1.00 9.89 ATOM 1769 NE ARG E 73 30.931 57.648 50.106 1.00 10.71 ATOM 1771 CZ ARG E 73 30.935 58.961 50.304 1.00 7.73 ATOM 1772 NH1 ARG E 73 30.063 59.618 51.033 1.00 7.52 ATOM 1775 NH2 ARG E 73 31.903 59.626 49.722 1.00 3.75 ATOM 1780 N ILE E 74 25.726 55.959 50.811 1.00 12.93 ATOM 1782 CA ILE E 74 25.187 55.389 52.043 1.00 11.92 ATOM 1787 C ILE E 74 23.937 54.586 51.745 1.00 10.62 ATOM 1788 O ILE E 74 23.706 53.603 52.435 1.00 8.61 ATOM 1783 CB ILE E 74 24.966 56.562 53.076 1.00 8.88 ATOM 1785 CG1 ILE E 74 24.776 56.008 54.514 1.00 8.65 ATOM 1784 CG2 ILE E 74 23.776 57.396 52.640 1.00 7.13 ATOM 1786 CD1 ILE E 74 26.001 55.308 55.147 1.00 7.53 ATOM 1789 N THR E 75 23.121 54.913 50.734 1.00 11.46 ATOM 1791 CA THR E 75 22.038 54.033 50.336 1.00 11.74 ATOM 1796 C THR E 75 22.572 52.668 49.889 1.00 12.67 ATOM 1797 O THR E 75 22.027 51.617 50.238 1.00 12.23 ATOM 1792 CB THR E 75 21.289 54.707 49.210 1.00 9.45 ATOM 1793 OG1 THR E 75 20.717 55.827 49.833 1.00 11.86 ATOM 1795 CG2 THR E 75 20.157 53.914 48.621 1.00 11.92 ATOM 1798 N TYR E 76 23.648 52.634 49.096 1.00 10.97 ATOM 1800 CA TYR E 76 24.237 51.398 48.635 1.00 8.79 ATOM 1810 C TYR E 76 24.778 50.590 49.825 1.00 8.35 ATOM 1811 O TYR E 76 24.535 49.391 49.993 1.00 9.54 ATOM 1801 CB TYR E 76 25.358 51.733 47.604 1.00 8.14 ATOM 1802 CG TYR E 76 26.227 50.514 47.362 1.00 9.64 ATOM 1803 CD1 TYR E 76 25.753 49.487 46.562 1.00 8.30 ATOM 1805 CD2 TYR E 76 27.410 50.396 48.068 1.00 9.08 ATOM 1804 CE1 TYR E 76 26.444 48.313 46.481 1.00 7.71 ATOM 1806 CE2 TYR E 76 28.109 49.212 48.007 1.00 11.00 ATOM 1807 CZ TYR E 76 27.607 48.180 47.221 1.00 11.81 ATOM 1808 OH TYR E 76 28.232 46.936 47.273 1.00 13.03 ATOM 1812 N LEU E 77 25.579 51.208 50.660 1.00 6.57 ATOM 1814 CA LEU E 77 26.177 50.528 51.774 1.00 7.99 ATOM 1819 C LEU E 77 25.189 49.922 52.757 1.00 10.98 ATOM 1820 O LEU E 77 25.478 48.914 53.386 1.00 10.94 ATOM 1815 CB LEU E 77 27.074 51.481 52.549 1.00 9.27 ATOM 1816 CG LEU E 77 28.376 51.933 51.899 1.00 10.61 ATOM 1817 CD1 LEU E 77 28.876 53.028 52.788 1.00 8.91 ATOM 1818 CD2 LEU E 77 29.378 50.792 51.661 1.00 6.77 ATOM 1821 N THR E 78 24.024 50.514 52.974 1.00 12.30 ATOM 1823 CA THR E 78 23.116 49.969 53.959 1.00 12.56 ATOM 1828 C THR E 78 22.086 49.111 53.255 1.00 14.95 ATOM 1829 O THR E 78 21.177 48.604 53.916 1.00 16.33 ATOM 1824 CB THR E 78 22.429 51.123 54.735 1.00 9.69 ATOM 1825 OG1 THR E 78 21.785 51.887 53.728 1.00 10.28 ATOM 1827 CG2 THR E 78 23.371 52.023 55.557 1.00 7.32 ATOM 1830 N GLU E 79 22.158 48.944 51.921 1.00 14.84 ATOM 1832 CA GLU E 79 21.200 48.154 51.169 1.00 16.51 ATOM 1838 C GLU E 79 19.745 48.665 51.264 1.00 15.91 ATOM 1839 O GLU E 79 18.781 47.897 51.145 1.00 17.73 ATOM 1833 CB GLU E 79 21.270 46.702 51.640 1.00 18.23 ATOM 1834 CG GLU E 79 22.532 45.995 51.231 1.00 21.66 ATOM 1835 CD GLU E 79 22.791 44.686 51.947 1.00 25.99 ATOM 1836 OE1 GLU E 79 22.340 44.473 53.064 1.00 32.68 ATOM 1837 OE2 GLU E 79 23.499 43.867 51.412 1.00 27.83 ATOM 1840 N THR E 80 19.545 49.972 51.428 1.00 12.25 ATOM 1842 CA THR E 80 18.203 50.534 51.483 1.00 12.88 ATOM 1847 C THR E 80 17.600 50.415 50.082 1.00 15.97 ATOM 1848 O THR E 80 18.309 50.585 49.083 1.00 15.33 ATOM 1843 CB THR E 80 18.256 52.008 51.894 1.00 11.25 ATOM 1844 OG1 THR E 80 18.874 52.081 53.171 1.00 12.66 ATOM 1846 CG2 THR E 80 16.880 52.610 51.988 1.00 9.19 ATOM 1849 N LYS E 81 16.321 50.101 49.967 1.00 16.10 ATOM 1851 CA LYS E 81 15.681 50.014 48.687 1.00 17.94 ATOM 1860 C LYS E 81 15.371 51.360 48.071 1.00 18.76 ATOM 1861 O LYS E 81 14.947 52.259 48.787 1.00 21.82 ATOM 1852 CB LYS E 81 14.402 49.257 48.818 1.00 19.37 ATOM 1853 CG LYS E 81 14.608 47.766 48.930 1.00 24.51 ATOM 1854 CD LYS E 81 13.200 47.273 49.181 1.00 29.04 ATOM 1855 CE LYS E 81 13.146 45.775 49.055 1.00 33.14 ATOM 1856 NZ LYS E 81 12.676 45.405 47.726 1.00 38.58 ATOM 1862 N ILE E 82 15.614 51.547 46.779 1.00 16.22 ATOM 1864 CA ILE E 82 15.206 52.750 46.097 1.00 15.87 ATOM 1869 C ILE E 82 13.857 52.416 45.530 1.00 16.65 ATOM 1870 O ILE E 82 13.669 51.345 44.966 1.00 18.78 ATOM 1865 CB ILE E 82 16.196 53.107 44.991 1.00 12.70 ATOM 1867 CG1 ILE E 82 17.374 53.759 45.711 1.00 13.65 ATOM 1866 CG2 ILE E 82 15.603 54.055 43.939 1.00 11.38 ATOM 1868 CD1 ILE E 82 18.588 54.109 44.886 1.00 18.27 ATOM 1871 N ASP E 83 12.928 53.333 45.677 1.00 19.99 ATOM 1873 CA ASP E 83 11.589 53.139 45.171 1.00 20.51 ATOM 1878 C ASP E 83 11.501 53.537 43.699 1.00 19.95 ATOM 1879 O ASP E 83 11.304 52.665 42.838 1.00 18.09 ATOM 1874 CB ASP E 83 10.640 53.965 46.020 1.00 22.78 ATOM 1875 CG ASP E 83 9.164 53.727 45.714 1.00 25.18 ATOM 1876 OD1 ASP E 83 8.790 52.596 45.378 1.00 29.20 ATOM 1877 OD2 ASP E 83 8.397 54.686 45.833 1.00 26.99 ATOM 1880 N LYS E 84 11.679 54.819 43.365 1.00 19.62 ATOM 1882 CA LYS E 84 11.614 55.294 41.979 1.00 18.57 ATOM 1891 C LYS E 84 12.805 56.171 41.675 1.00 15.04 ATOM 1892 O LYS E 84 13.406 56.685 42.631 1.00 13.49 ATOM 1883 CB LYS E 84 10.351 56.108 41.768 1.00 19.62 ATOM 1884 CG LYS E 84 9.094 55.286 41.809 1.00 18.86 ATOM 1885 CD LYS E 84 7.995 56.272 41.966 1.00 23.62 ATOM 1886 CE LYS E 84 6.711 55.571 42.347 1.00 28.87 ATOM 1887 NZ LYS E 84 6.318 54.603 41.343 1.00 30.82 ATOM 1893 N LEU E 85 13.115 56.346 40.388 1.00 15.01 ATOM 1895 CA LEU E 85 14.153 57.246 39.901 1.00 16.08 ATOM 1900 C LEU E 85 13.530 58.065 38.805 1.00 17.31 ATOM 1901 O LEU E 85 12.747 57.548 38.007 1.00 18.72 ATOM 1896 CB LEU E 85 15.336 56.552 39.247 1.00 17.64 ATOM 1897 CG LEU E 85 16.276 55.797 40.149 1.00 19.85 ATOM 1898 CD1 LEU E 85 17.045 54.771 39.376 1.00 19.59 ATOM 1899 CD2 LEU E 85 17.255 56.756 40.737 1.00 21.55 ATOM 1902 N CYS E 86 13.858 59.335 38.723 1.00 16.60 ATOM 1904 CA CYS E 86 13.418 60.147 37.612 1.00 15.13 ATOM 1905 C CYS E 86 14.724 60.338 36.858 1.00 15.25 ATOM 1906 O CYS E 86 15.707 60.779 37.476 1.00 13.90 ATOM 1907 CB CYS E 86 12.869 61.444 38.143 1.00 15.30 ATOM 1908 SG CYS E 86 12.753 62.690 36.840 1.00 16.58 ATOM 1909 N VAL E 87 14.838 59.992 35.571 1.00 13.95 ATOM 1911 CA VAL E 87 16.107 60.138 34.864 1.00 13.56 ATOM 1915 C VAL E 87 15.957 60.956 33.604 1.00 12.87 ATOM 1916 O VAL E 87 14.874 60.976 33.024 1.00 16.07 ATOM 1912 CB VAL E 87 16.754 58.748 34.435 1.00 14.16 ATOM 1913 CG1 VAL E 87 17.067 57.917 35.675 1.00 11.67 ATOM 1914 CG2 VAL E 87 15.819 57.974 33.500 1.00 11.72 ATOM 1917 N TRP E 88 16.986 61.643 33.160 1.00 10.14 ATOM 1919 CA TRP E 88 16.956 62.225 31.850 1.00 11.87 ATOM 1931 C TRP E 88 17.376 61.069 30.976 1.00 14.82 ATOM 1932 O TRP E 88 18.382 60.377 31.179 1.00 13.87 ATOM 1920 CB TRP E 88 17.948 63.307 31.681 1.00 11.20 ATOM 1921 CG TRP E 88 17.573 64.548 32.455 1.00 13.36 ATOM 1925 CD1 TRP E 88 16.655 65.397 31.908 1.00 14.62 ATOM 1922 CD2 TRP E 88 18.104 65.004 33.669 1.00 16.09 ATOM 1926 NE1 TRP E 88 16.598 66.409 32.762 1.00 17.79 ATOM 1923 CE2 TRP E 88 17.433 66.224 33.819 1.00 16.57 ATOM 1924 CE3 TRP E 88 19.021 64.607 34.636 1.00 13.98 ATOM 1928 CZ2 TRP E 88 17.666 67.037 34.915 1.00 15.14 ATOM 1929 CZ3 TRP E 88 19.258 65.440 35.717 1.00 13.19 ATOM 1930 CH2 TRP E 88 18.590 66.633 35.858 1.00 13.33 ATOM 1933 N ASN E 89 16.550 60.823 29.989 1.00 19.06 ATOM 1935 CA ASN E 89 16.734 59.670 29.144 1.00 22.61 ATOM 1942 C ASN E 89 17.515 59.974 27.877 1.00 25.67 ATOM 1943 O ASN E 89 17.684 59.105 27.007 1.00 27.36 ATOM 1936 CB ASN E 89 15.359 59.098 28.825 1.00 24.02 ATOM 1937 CG ASN E 89 14.445 60.038 28.064 1.00 24.87 ATOM 1938 OD1 ASN E 89 14.825 61.061 27.478 1.00 26.71 ATOM 1939 ND2 ASN E 89 13.174 59.701 28.091 1.00 25.80 ATOM 1944 N ASN E 90 18.103 61.168 27.766 1.00 25.14 ATOM 1946 CA ASN E 90 18.869 61.489 26.576 1.00 23.87 ATOM 1953 C ASN E 90 20.356 61.375 26.863 1.00 24.15 ATOM 1954 O ASN E 90 21.154 61.989 26.146 1.00 23.55 ATOM 1947 CB ASN E 90 18.518 62.915 26.081 1.00 22.02 ATOM 1948 CG ASN E 90 18.896 63.994 27.084 1.00 22.23 ATOM 1949 OD1 ASN E 90 19.106 63.731 28.263 1.00 24.56 ATOM 1950 ND2 ASN E 90 18.972 65.246 26.723 1.00 17.41 ATOM 1955 N LYS E 91 20.767 60.540 27.837 1.00 22.92 ATOM 1957 CA LYS E 91 22.159 60.370 28.240 1.00 19.55 ATOM 1966 C LYS E 91 22.402 58.887 28.340 1.00 19.11 ATOM 1967 O LYS E 91 21.437 58.193 28.680 1.00 19.53 ATOM 1958 CB LYS E 91 22.353 61.051 29.587 1.00 20.69 ATOM 1959 CG LYS E 91 23.379 62.183 29.559 1.00 25.56 ATOM 1960 CD LYS E 91 23.247 63.133 28.357 1.00 24.82 ATOM 1961 CE LYS E 91 24.063 64.400 28.344 1.00 21.23 ATOM 1962 NZ LYS E 91 23.504 65.337 29.305 1.00 21.77 ATOM 1968 N THR E 92 23.624 58.389 28.064 1.00 20.46 ATOM 1970 CA THR E 92 24.000 56.980 28.223 1.00 22.67 ATOM 1975 C THR E 92 25.200 56.889 29.139 1.00 19.52 ATOM 1976 O THR E 92 26.255 57.460 28.839 1.00 23.32 ATOM 1971 CB THR E 92 24.422 56.236 26.922 1.00 25.60 ATOM 1972 OG1 THR E 92 23.222 56.206 26.168 1.00 29.58 ATOM 1974 CG2 THR E 92 24.947 54.805 27.090 1.00 24.77 ATOM 1977 N PRO E 93 25.112 56.202 30.264 1.00 16.20 ATOM 1979 CA PRO E 93 23.872 55.670 30.833 1.00 12.84 ATOM 1982 C PRO E 93 22.844 56.744 31.180 1.00 14.14 ATOM 1983 O PRO E 93 23.224 57.937 31.208 1.00 16.93 ATOM 1980 CB PRO E 93 24.398 54.878 32.001 1.00 12.81 ATOM 1981 CG PRO E 93 25.698 55.509 32.373 1.00 13.76 ATOM 1978 CD PRO E 93 26.286 55.828 31.030 1.00 14.62 ATOM 1984 N ASN E 94 21.558 56.445 31.379 1.00 11.56 ATOM 1986 CA ASN E 94 20.617 57.500 31.747 1.00 13.42 ATOM 1993 C ASN E 94 21.041 58.177 33.030 1.00 12.40 ATOM 1994 O ASN E 94 21.702 57.571 33.869 1.00 13.80 ATOM 1987 CB ASN E 94 19.200 56.985 31.941 1.00 14.24 ATOM 1988 CG ASN E 94 18.529 56.476 30.676 1.00 16.44 ATOM 1989 OD1 ASN E 94 17.411 55.980 30.735 1.00 18.12 ATOM 1990 ND2 ASN E 94 19.087 56.558 29.479 1.00 17.10 ATOM 1995 N SER E 95 20.628 59.420 33.187 1.00 11.85 ATOM 1997 CA SER E 95 21.156 60.331 34.170 1.00 11.58 ATOM 2001 C SER E 95 20.180 60.614 35.280 1.00 11.93 ATOM 2002 O SER E 95 19.039 60.950 34.998 1.00 10.94 ATOM 1998 CB SER E 95 21.505 61.574 33.426 1.00 12.75 ATOM 1999 OG SER E 95 22.137 62.507 34.254 1.00 16.84 ATOM 2003 N ILE E 96 20.583 60.504 36.543 1.00 14.49 ATOM 2005 CA ILE E 96 19.677 60.675 37.664 1.00 11.58 ATOM 2010 C ILE E 96 19.424 62.139 37.945 1.00 12.85 ATOM 2011 O ILE E 96 20.337 62.960 38.118 1.00 13.53 ATOM 2006 CB ILE E 96 20.245 59.987 38.944 1.00 10.50 ATOM 2008 CG1 ILE E 96 20.428 58.519 38.644 1.00 7.07 ATOM 2007 CG2 ILE E 96 19.291 60.170 40.136 1.00 8.02 ATOM 2009 CD1 ILE E 96 21.193 57.756 39.722 1.00 8.36 ATOM 2012 N ALA E 97 18.120 62.376 37.929 1.00 12.33 ATOM 2014 CA ALA E 97 17.550 63.649 38.293 1.00 14.68 ATOM 2016 C ALA E 97 16.973 63.625 39.721 1.00 13.46 ATOM 2017 O ALA E 97 17.126 64.619 40.429 1.00 13.81 ATOM 2015 CB ALA E 97 16.413 64.030 37.327 1.00 14.25 ATOM 2018 N ALA E 98 16.336 62.564 40.218 1.00 10.50 ATOM 2020 CA ALA E 98 15.688 62.588 41.509 1.00 8.30 ATOM 2022 C ALA E 98 15.495 61.154 41.959 1.00 11.27 ATOM 2023 O ALA E 98 15.352 60.268 41.108 1.00 10.38 ATOM 2021 CB ALA E 98 14.359 63.274 41.352 1.00 8.83 ATOM 2024 N ILE E 99 15.569 60.857 43.248 1.00 12.85 ATOM 2026 CA ILE E 99 15.359 59.504 43.776 1.00 14.84 ATOM 2031 C ILE E 99 14.330 59.557 44.907 1.00 13.80 ATOM 2032 O ILE E 99 14.211 60.599 45.571 1.00 11.91 ATOM 2027 CB ILE E 99 16.643 58.839 44.405 1.00 20.18 ATOM 2029 CG1 ILE E 99 17.292 59.682 45.519 1.00 22.09 ATOM 2028 CG2 ILE E 99 17.679 58.690 43.331 1.00 23.45 ATOM 2030 CD1 ILE E 99 18.499 58.849 46.012 1.00 26.04 ATOM 2033 N SER E 100 13.558 58.512 45.138 1.00 13.39 ATOM 2035 CA SER E 100 12.768 58.480 46.350 1.00 16.22 ATOM 2039 C SER E 100 13.033 57.137 47.020 1.00 17.08 ATOM 2040 O SER E 100 13.440 56.160 46.356 1.00 15.49 ATOM 2036 CB SER E 100 11.277 58.646 46.040 1.00 13.23 ATOM 2037 OG SER E 100 10.917 57.772 44.992 1.00 15.86 ATOM 2041 N MET E 101 12.883 57.105 48.347 1.00 18.78 ATOM 2043 CA MET E 101 12.972 55.883 49.140 1.00 19.81 ATOM 2048 C MET E 101 11.765 55.959 50.035 1.00 19.82 ATOM 2049 O MET E 101 11.309 57.052 50.404 1.00 18.70 ATOM 2044 CB MET E 101 14.208 55.857 50.015 1.00 21.91 ATOM 2045 CG MET E 101 15.418 55.483 49.199 1.00 27.25 ATOM 2046 SD MET E 101 16.898 56.274 49.863 1.00 30.48 ATOM 2047 CE MET E 101 16.607 57.741 48.942 1.00 29.29 ATOM 2050 N LYS E 102 11.301 54.792 50.412 1.00 22.55 ATOM 2052 CA LYS E 102 10.127 54.620 51.228 1.00 29.43 ATOM 2061 C LYS E 102 10.433 53.439 52.129 1.00 32.11 ATOM 2062 O LYS E 102 11.003 52.447 51.659 1.00 30.76 ATOM 2053 CB LYS E 102 8.989 54.305 50.333 1.00 34.35 ATOM 2054 CG LYS E 102 7.646 54.398 50.952 1.00 43.85 ATOM 2055 CD LYS E 102 6.693 53.827 49.901 1.00 52.92 ATOM 2056 CE LYS E 102 5.329 54.569 49.921 1.00 59.29 ATOM 2057 NZ LYS E 102 5.433 55.948 49.437 1.00 60.99 ATOM 2063 N ASN E 103 10.006 53.576 53.396 1.00 40.42 ATOM 2065 CA ASN E 103 10.107 52.623 54.524 1.00 46.08 ATOM 2072 C ASN E 103 11.559 52.326 54.913 1.00 48.50 ATOM 2073 O ASN E 103 12.125 53.187 55.582 1.00 50.00 ATOM 2066 CB ASN E 103 9.372 51.285 54.203 1.00 48.53 ATOM 2067 CG ASN E 103 7.895 51.419 53.862 1.00 51.27 ATOM 2068 OD1 ASN E 103 7.091 51.953 54.630 1.00 52.07 ATOM 2069 ND2 ASN E 103 7.489 50.940 52.674 1.00 52.78 ATOM 2074 OXT ASN E 103 12.148 51.321 54.486 1.00 49.43 TER ASN E 103 ATOM 2104 N ALA F 1 18.042 83.569 73.895 1.00 32.65 ATOM 2106 CA ALA F 1 17.699 82.955 72.619 1.00 31.51 ATOM 2100 C ALA F 1 16.496 82.076 72.975 1.00 31.09 ATOM 2101 O ALA F 1 16.241 81.972 74.179 1.00 31.71 ATOM 2099 CB ALA F 1 18.866 82.092 72.113 1.00 31.91 ATOM 2107 N PRO F 2 15.685 81.492 72.081 1.00 30.53 ATOM 2109 CA PRO F 2 14.627 80.567 72.426 1.00 29.25 ATOM 2112 C PRO F 2 15.185 79.347 73.122 1.00 28.55 ATOM 2113 O PRO F 2 16.389 79.052 73.109 1.00 28.19 ATOM 2110 CB PRO F 2 13.965 80.226 71.120 1.00 31.51 ATOM 2111 CG PRO F 2 14.246 81.437 70.275 1.00 31.64 ATOM 2108 CD PRO F 2 15.698 81.682 70.637 1.00 30.73 ATOM 2114 N GLN F 3 14.262 78.687 73.798 1.00 26.95 ATOM 2116 CA GLN F 3 14.632 77.499 74.527 1.00 28.44 ATOM 2124 C GLN F 3 13.899 76.271 74.037 1.00 25.77 ATOM 2125 O GLN F 3 14.213 75.143 74.431 1.00 25.30 ATOM 2117 CB GLN F 3 14.369 77.750 76.019 1.00 31.28 ATOM 2118 CG GLN F 3 15.607 78.484 76.516 1.00 37.21 ATOM 2119 CD GLN F 3 15.648 78.825 77.993 1.00 42.28 ATOM 2120 OE1 GLN F 3 15.318 79.935 78.391 1.00 44.86 ATOM 2121 NE2 GLN F 3 16.066 77.949 78.893 1.00 44.79 ATOM 2126 N THR F 4 12.943 76.481 73.134 1.00 25.62 ATOM 2128 CA THR F 4 12.080 75.436 72.619 1.00 24.96 ATOM 2133 C THR F 4 11.728 75.812 71.202 1.00 22.62 ATOM 2134 O THR F 4 11.763 77.003 70.863 1.00 22.83 ATOM 2129 CB THR F 4 10.793 75.346 73.417 1.00 26.30 ATOM 2130 OG1 THR F 4 11.111 75.380 74.792 1.00 28.52 ATOM 2132 CG2 THR F 4 10.128 74.004 73.219 1.00 31.53 ATOM 2135 N ILE F 5 11.321 74.796 70.438 1.00 21.16 ATOM 2137 CA ILE F 5 10.909 74.972 69.065 1.00 22.29 ATOM 2142 C ILE F 5 9.629 75.820 69.020 1.00 24.33 ATOM 2143 O ILE F 5 9.463 76.667 68.137 1.00 22.62 ATOM 2138 CB ILE F 5 10.755 73.534 68.417 1.00 19.00 ATOM 2140 CG1 ILE F 5 10.480 73.670 66.938 1.00 16.38 ATOM 2139 CG2 ILE F 5 9.609 72.744 69.044 1.00 18.00 ATOM 2141 CD1 ILE F 5 10.666 72.331 66.217 1.00 15.89 ATOM 2144 N THR F 6 8.733 75.697 69.996 1.00 26.68 ATOM 2146 CA THR F 6 7.502 76.468 70.018 1.00 28.95 ATOM 2151 C THR F 6 7.788 77.953 70.234 1.00 29.04 ATOM 2152 O THR F 6 7.152 78.782 69.573 1.00 30.89 ATOM 2147 CB THR F 6 6.578 75.858 71.111 1.00 31.92 ATOM 2148 OG1 THR F 6 7.210 74.786 71.817 1.00 36.61 ATOM 2150 CG2 THR F 6 5.440 75.141 70.454 1.00 35.39 ATOM 2153 N GLU F 7 8.799 78.307 71.052 1.00 30.22 ATOM 2155 CA GLU F 7 9.216 79.686 71.263 1.00 31.49 ATOM 2161 C GLU F 7 9.765 80.257 69.979 1.00 30.86 ATOM 2162 O GLU F 7 9.278 81.271 69.474 1.00 31.87 ATOM 2156 CB GLU F 7 10.325 79.845 72.236 1.00 35.98 ATOM 2157 CG GLU F 7 9.881 79.768 73.662 1.00 45.56 ATOM 2158 CD GLU F 7 10.968 80.140 74.681 1.00 52.07 ATOM 2159 OE1 GLU F 7 11.821 81.000 74.394 1.00 54.05 ATOM 2160 OE2 GLU F 7 10.938 79.571 75.784 1.00 54.91 ATOM 2163 N LEU F 8 10.757 79.556 69.433 1.00 28.18 ATOM 2165 CA LEU F 8 11.391 79.987 68.206 1.00 25.37 ATOM 2170 C LEU F 8 10.382 80.100 67.059 1.00 22.42 ATOM 2171 O LEU F 8 10.388 81.055 66.290 1.00 20.59 ATOM 2166 CB LEU F 8 12.495 78.984 67.927 1.00 23.27 ATOM 2167 CG LEU F 8 13.358 79.229 66.719 1.00 24.07 ATOM 2168 CD1 LEU F 8 14.753 78.722 66.984 1.00 24.58 ATOM 2169 CD2 LEU F 8 12.766 78.519 65.521 1.00 24.69 ATOM 2172 N CYS F 9 9.466 79.169 66.924 1.00 23.05 ATOM 2174 CA CYS F 9 8.500 79.162 65.833 1.00 24.69 ATOM 2175 C CYS F 9 7.508 80.295 65.954 1.00 28.35 ATOM 2176 O CYS F 9 7.159 80.886 64.917 1.00 28.65 ATOM 2177 CB CYS F 9 7.729 77.854 65.814 1.00 23.23 ATOM 2178 SG CYS F 9 6.914 77.470 64.251 1.00 21.37 ATOM 2179 N SER F 10 7.104 80.624 67.201 1.00 29.98 ATOM 2181 CA SER F 10 6.177 81.707 67.434 1.00 31.58 ATOM 2185 C SER F 10 6.831 83.066 67.180 1.00 33.06 ATOM 2186 O SER F 10 6.145 84.082 67.253 1.00 36.18 ATOM 2182 CB SER F 10 5.640 81.647 68.861 1.00 30.72 ATOM 2183 OG SER F 10 6.574 82.103 69.830 1.00 33.38 ATOM 2187 N GLU F 11 8.128 83.172 66.882 1.00 32.66 ATOM 2189 CA GLU F 11 8.729 84.441 66.497 1.00 34.78 ATOM 2195 C GLU F 11 8.592 84.797 65.004 1.00 35.18 ATOM 2196 O GLU F 11 9.151 85.810 64.539 1.00 35.03 ATOM 2190 CB GLU F 11 10.214 84.446 66.823 1.00 37.75 ATOM 2191 CG GLU F 11 10.591 84.172 68.274 1.00 42.03 ATOM 2192 CD GLU F 11 12.091 84.292 68.528 1.00 45.81 ATOM 2193 OE1 GLU F 11 12.893 84.061 67.611 1.00 45.10 ATOM 2194 OE2 GLU F 11 12.449 84.615 69.664 1.00 48.99 ATOM 2197 N TYR F 12 7.883 83.994 64.192 1.00 33.13 ATOM 2199 CA TYR F 12 7.795 84.202 62.755 1.00 30.48 ATOM 2209 C TYR F 12 6.363 84.334 62.262 1.00 33.20 ATOM 2210 O TYR F 12 5.439 83.718 62.802 1.00 35.42 ATOM 2200 CB TYR F 12 8.481 83.023 62.026 1.00 27.10 ATOM 2201 CG TYR F 12 9.958 83.024 62.330 1.00 25.58 ATOM 2202 CD1 TYR F 12 10.767 83.853 61.595 1.00 24.84 ATOM 2204 CD2 TYR F 12 10.473 82.308 63.401 1.00 28.34 ATOM 2203 CE1 TYR F 12 12.098 83.994 61.931 1.00 27.02 ATOM 2205 CE2 TYR F 12 11.814 82.447 63.750 1.00 28.45 ATOM 2206 CZ TYR F 12 12.614 83.297 63.000 1.00 28.50 ATOM 2207 OH TYR F 12 13.958 83.448 63.274 1.00 29.55 ATOM 2211 N ARG F 13 6.138 85.159 61.237 1.00 33.97 ATOM 2213 CA ARG F 13 4.848 85.163 60.557 1.00 34.36 ATOM 2226 C ARG F 13 4.782 83.854 59.744 1.00 29.68 ATOM 2227 O ARG F 13 5.785 83.298 59.293 1.00 29.20 ATOM 2214 CB ARG F 13 4.706 86.258 59.523 1.00 39.35 ATOM 2215 CG ARG F 13 4.569 87.727 59.800 1.00 45.88 ATOM 2216 CD ARG F 13 4.880 88.492 58.456 1.00 51.75 ATOM 2217 NE ARG F 13 4.041 88.273 57.257 1.00 55.27 ATOM 2219 CZ ARG F 13 2.690 88.424 57.235 1.00 57.03 ATOM 2220 NH1 ARG F 13 1.982 88.786 58.323 1.00 58.51 ATOM 2223 NH2 ARG F 13 2.020 88.247 56.092 1.00 55.55 ATOM 2228 N ASN F 14 3.566 83.389 59.524 1.00 27.99 ATOM 2230 CA ASN F 14 3.249 82.252 58.674 1.00 28.81 ATOM 2237 C ASN F 14 3.893 80.954 59.080 1.00 27.54 ATOM 2238 O ASN F 14 4.183 80.120 58.215 1.00 29.09 ATOM 2231 CB ASN F 14 3.638 82.507 57.207 1.00 30.42 ATOM 2232 CG ASN F 14 3.014 83.758 56.628 1.00 34.46 ATOM 2233 OD1 ASN F 14 3.692 84.632 56.082 1.00 36.94 ATOM 2234 ND2 ASN F 14 1.697 83.920 56.708 1.00 35.82 ATOM 2239 N THR F 15 4.133 80.754 60.375 1.00 25.22 ATOM 2241 CA THR F 15 4.633 79.481 60.840 1.00 22.94 ATOM 2246 C THR F 15 3.544 78.765 61.604 1.00 24.25 ATOM 2247 O THR F 15 2.526 79.359 61.990 1.00 25.15 ATOM 2242 CB THR F 15 5.853 79.663 61.727 1.00 21.60 ATOM 2243 OG1 THR F 15 5.480 80.548 62.773 1.00 24.44 ATOM 2245 CG2 THR F 15 7.049 80.136 60.933 1.00 19.02 ATOM 2248 N GLN F 16 3.719 77.458 61.780 1.00 24.85 ATOM 2250 CA GLN F 16 2.774 76.647 62.497 1.00 24.81 ATOM 2258 C GLN F 16 3.587 75.478 63.005 1.00 23.62 ATOM 2259 O GLN F 16 4.527 75.089 62.305 1.00 20.41 ATOM 2251 CB GLN F 16 1.738 76.227 61.524 1.00 28.02 ATOM 2252 CG GLN F 16 0.613 75.384 62.024 1.00 36.93 ATOM 2253 CD GLN F 16 -0.263 74.916 60.869 1.00 42.99 ATOM 2254 OE1 GLN F 16 -0.301 75.482 59.769 1.00 43.74 ATOM 2255 NE2 GLN F 16 -1.014 73.853 61.101 1.00 46.71 ATOM 2260 N ILE F 17 3.285 75.005 64.231 1.00 23.63 ATOM 2262 CA ILE F 17 3.913 73.833 64.846 1.00 23.00 ATOM 2267 C ILE F 17 3.135 72.590 64.462 1.00 22.41 ATOM 2268 O ILE F 17 1.913 72.678 64.488 1.00 28.48 ATOM 2263 CB ILE F 17 3.941 73.968 66.402 1.00 21.64 ATOM 2265 CG1 ILE F 17 5.090 74.860 66.770 1.00 20.97 ATOM 2264 CG2 ILE F 17 4.182 72.628 67.126 1.00 22.54 ATOM 2266 CD1 ILE F 17 6.521 74.246 66.668 1.00 19.04 ATOM 2269 N TYR F 18 3.694 71.477 64.007 1.00 20.51 ATOM 2271 CA TYR F 18 2.920 70.256 63.851 1.00 19.92 ATOM 2281 C TYR F 18 3.579 69.256 64.754 1.00 20.11 ATOM 2282 O TYR F 18 4.809 69.204 64.821 1.00 24.18 ATOM 2272 CB TYR F 18 3.001 69.627 62.513 1.00 21.29 ATOM 2273 CG TYR F 18 2.217 70.283 61.416 1.00 24.62 ATOM 2274 CD1 TYR F 18 2.593 71.483 60.856 1.00 25.00 ATOM 2276 CD2 TYR F 18 1.105 69.616 60.989 1.00 28.38 ATOM 2275 CE1 TYR F 18 1.830 72.020 59.851 1.00 25.70 ATOM 2277 CE2 TYR F 18 0.349 70.145 59.978 1.00 30.52 ATOM 2278 CZ TYR F 18 0.717 71.341 59.422 1.00 30.39 ATOM 2279 OH TYR F 18 -0.086 71.836 58.407 1.00 37.26 ATOM 2283 N THR F 19 2.860 68.418 65.439 1.00 22.42 ATOM 2285 CA THR F 19 3.502 67.408 66.260 1.00 25.90 ATOM 2290 C THR F 19 3.329 66.166 65.425 1.00 25.29 ATOM 2291 O THR F 19 2.211 65.791 65.046 1.00 26.15 ATOM 2286 CB THR F 19 2.805 67.223 67.612 1.00 27.63 ATOM 2287 OG1 THR F 19 2.583 68.476 68.253 1.00 29.59 ATOM 2289 CG2 THR F 19 3.704 66.404 68.501 1.00 31.98 ATOM 2292 N ILE F 20 4.433 65.530 65.096 1.00 24.55 ATOM 2294 CA ILE F 20 4.369 64.395 64.191 1.00 22.49 ATOM 2299 C ILE F 20 4.384 63.097 65.002 1.00 23.56 ATOM 2300 O ILE F 20 3.606 62.164 64.789 1.00 25.62 ATOM 2295 CB ILE F 20 5.592 64.442 63.210 1.00 21.58 ATOM 2297 CG1 ILE F 20 5.783 65.783 62.510 1.00 20.30 ATOM 2296 CG2 ILE F 20 5.349 63.349 62.194 1.00 20.34 ATOM 2298 CD1 ILE F 20 4.687 66.081 61.489 1.00 21.89 ATOM 2301 N ASN F 21 5.338 63.082 65.935 1.00 24.24 ATOM 2303 CA ASN F 21 5.716 61.951 66.760 1.00 26.51 ATOM 2310 C ASN F 21 5.756 60.663 65.945 1.00 27.28 ATOM 2311 O ASN F 21 5.171 59.647 66.316 1.00 28.78 ATOM 2304 CB ASN F 21 4.761 61.800 67.949 1.00 30.53 ATOM 2305 CG ASN F 21 5.327 60.817 68.974 1.00 36.32 ATOM 2306 OD1 ASN F 21 6.459 60.903 69.481 1.00 38.96 ATOM 2307 ND2 ASN F 21 4.517 59.823 69.295 1.00 39.34 ATOM 2312 N ASP F 22 6.490 60.674 64.814 1.00 24.27 ATOM 2314 CA ASP F 22 6.621 59.497 63.983 1.00 19.87 ATOM 2319 C ASP F 22 7.882 59.610 63.144 1.00 16.28 ATOM 2320 O ASP F 22 8.549 60.644 63.152 1.00 15.51 ATOM 2315 CB ASP F 22 5.384 59.379 63.111 1.00 21.03 ATOM 2316 CG ASP F 22 5.095 58.011 62.489 1.00 22.81 ATOM 2317 OD1 ASP F 22 5.596 56.958 62.922 1.00 21.40 ATOM 2318 OD2 ASP F 22 4.323 58.025 61.541 1.00 25.79 ATOM 2321 N LYS F 23 8.244 58.491 62.523 1.00 17.26 ATOM 2323 CA LYS F 23 9.377 58.388 61.630 1.00 17.81 ATOM 2332 C LYS F 23 8.906 58.782 60.240 1.00 18.05 ATOM 2333 O LYS F 23 7.698 58.718 59.935 1.00 18.17 ATOM 2324 CB LYS F 23 9.917 56.963 61.621 1.00 18.20 ATOM 2325 CG LYS F 23 9.059 55.872 61.015 1.00 21.38 ATOM 2326 CD LYS F 23 9.853 54.582 61.028 1.00 23.36 ATOM 2327 CE LYS F 23 9.238 53.530 60.138 1.00 28.83 ATOM 2328 NZ LYS F 23 9.200 53.999 58.753 1.00 35.10 ATOM 2334 N ILE F 24 9.870 59.235 59.431 1.00 17.37 ATOM 2336 CA ILE F 24 9.613 59.636 58.047 1.00 18.40 ATOM 2341 C ILE F 24 9.185 58.408 57.232 1.00 16.67 ATOM 2342 O ILE F 24 9.813 57.346 57.316 1.00 15.38 ATOM 2337 CB ILE F 24 10.907 60.283 57.451 1.00 15.82 ATOM 2339 CG1 ILE F 24 11.304 61.489 58.299 1.00 14.91 ATOM 2338 CG2 ILE F 24 10.685 60.639 55.992 1.00 13.67 ATOM 2340 CD1 ILE F 24 12.439 62.398 57.814 1.00 8.38 ATOM 2343 N LEU F 25 8.097 58.499 56.475 1.00 17.36 ATOM 2345 CA LEU F 25 7.737 57.369 55.642 1.00 18.90 ATOM 2350 C LEU F 25 8.499 57.402 54.313 1.00 18.71 ATOM 2351 O LEU F 25 8.953 56.352 53.871 1.00 17.31 ATOM 2346 CB LEU F 25 6.253 57.383 55.371 1.00 19.94 ATOM 2347 CG LEU F 25 5.688 56.338 54.420 1.00 20.65 ATOM 2348 CD1 LEU F 25 5.884 54.934 54.959 1.00 20.82 ATOM 2349 CD2 LEU F 25 4.216 56.606 54.263 1.00 22.30 ATOM 2352 N SER F 26 8.652 58.534 53.611 1.00 17.10 ATOM 2354 CA SER F 26 9.403 58.498 52.375 1.00 13.89 ATOM 2358 C SER F 26 10.216 59.745 52.309 1.00 11.24 ATOM 2359 O SER F 26 9.759 60.760 52.844 1.00 11.28 ATOM 2355 CB SER F 26 8.484 58.456 51.180 1.00 14.95 ATOM 2356 OG SER F 26 7.759 59.650 50.997 1.00 15.43 ATOM 2360 N TYR F 27 11.336 59.633 51.612 1.00 12.03 ATOM 2362 CA TYR F 27 12.333 60.672 51.437 1.00 10.26 ATOM 2372 C TYR F 27 12.560 60.785 49.921 1.00 9.03 ATOM 2373 O TYR F 27 12.828 59.750 49.312 1.00 11.15 ATOM 2363 CB TYR F 27 13.561 60.197 52.196 1.00 9.27 ATOM 2364 CG TYR F 27 14.814 60.997 51.907 1.00 10.86 ATOM 2365 CD1 TYR F 27 15.084 62.127 52.633 1.00 7.69 ATOM 2367 CD2 TYR F 27 15.643 60.622 50.851 1.00 11.58 ATOM 2366 CE1 TYR F 27 16.183 62.912 52.295 1.00 10.11 ATOM 2368 CE2 TYR F 27 16.744 61.401 50.506 1.00 12.41 ATOM 2369 CZ TYR F 27 17.000 62.550 51.241 1.00 10.39 ATOM 2370 OH TYR F 27 18.080 63.326 50.908 1.00 10.70 ATOM 2374 N THR F 28 12.440 61.963 49.308 1.00 9.70 ATOM 2376 CA THR F 28 12.675 62.261 47.899 1.00 10.17 ATOM 2381 C THR F 28 13.721 63.397 47.848 1.00 12.16 ATOM 2382 O THR F 28 13.595 64.412 48.544 1.00 13.07 ATOM 2377 CB THR F 28 11.392 62.776 47.226 1.00 11.19 ATOM 2378 OG1 THR F 28 10.444 61.744 47.386 1.00 14.16 ATOM 2380 CG2 THR F 28 11.574 63.173 45.747 1.00 9.67 ATOM 2383 N GLU F 29 14.743 63.302 47.012 1.00 12.34 ATOM 2385 CA GLU F 29 15.833 64.264 46.870 1.00 10.69 ATOM 2391 C GLU F 29 15.944 64.514 45.386 1.00 10.29 ATOM 2392 O GLU F 29 16.005 63.535 44.631 1.00 9.85 ATOM 2386 CB GLU F 29 17.140 63.665 47.316 1.00 11.50 ATOM 2387 CG GLU F 29 18.380 64.521 47.143 1.00 10.31 ATOM 2388 CD GLU F 29 19.608 63.732 47.508 1.00 12.11 ATOM 2389 OE1 GLU F 29 19.590 62.940 48.433 1.00 15.86 ATOM 2390 OE2 GLU F 29 20.625 63.899 46.879 1.00 13.08 ATOM 2393 N SER F 30 16.016 65.767 44.981 1.00 8.96 ATOM 2395 CA SER F 30 16.087 66.144 43.603 1.00 8.48 ATOM 2399 C SER F 30 17.312 67.010 43.361 1.00 10.71 ATOM 2400 O SER F 30 17.699 67.830 44.200 1.00 13.46 ATOM 2396 CB SER F 30 14.787 66.896 43.275 1.00 9.88 ATOM 2397 OG SER F 30 14.832 67.629 42.054 1.00 11.67 ATOM 2401 N MET F 31 17.910 66.861 42.196 1.00 11.77 ATOM 2403 CA MET F 31 19.019 67.666 41.747 1.00 12.74 ATOM 2408 C MET F 31 18.650 68.335 40.426 1.00 12.99 ATOM 2409 O MET F 31 19.507 68.862 39.706 1.00 14.93 ATOM 2404 CB MET F 31 20.251 66.784 41.563 1.00 14.81 ATOM 2405 CG MET F 31 20.262 65.650 40.530 1.00 14.75 ATOM 2406 SD MET F 31 21.994 65.304 40.085 1.00 20.92 ATOM 2407 CE MET F 31 22.147 66.491 38.772 1.00 16.70 ATOM 2410 N ALA F 32 17.364 68.332 40.082 1.00 11.78 ATOM 2412 CA ALA F 32 16.882 68.870 38.829 1.00 11.06 ATOM 2414 C ALA F 32 16.872 70.383 38.931 1.00 12.02 ATOM 2415 O ALA F 32 16.587 70.896 40.007 1.00 15.55 ATOM 2413 CB ALA F 32 15.487 68.366 38.587 1.00 10.18 ATOM 2416 N GLY F 33 17.176 71.127 37.862 1.00 12.84 ATOM 2418 CA GLY F 33 17.343 72.575 37.850 1.00 10.77 ATOM 2419 C GLY F 33 16.152 73.360 38.344 1.00 14.42 ATOM 2420 O GLY F 33 15.063 73.274 37.782 1.00 16.63 ATOM 2421 N LYS F 34 16.385 74.147 39.401 1.00 17.91 ATOM 2423 CA LYS F 34 15.420 74.981 40.118 1.00 16.76 ATOM 2432 C LYS F 34 14.481 74.177 41.026 1.00 17.35 ATOM 2433 O LYS F 34 13.622 74.737 41.706 1.00 18.15 ATOM 2424 CB LYS F 34 14.640 75.838 39.106 1.00 18.94 ATOM 2425 CG LYS F 34 15.628 76.698 38.302 1.00 27.06 ATOM 2426 CD LYS F 34 15.034 77.679 37.303 1.00 35.09 ATOM 2427 CE LYS F 34 14.875 79.071 37.956 1.00 43.92 ATOM 2428 NZ LYS F 34 13.833 79.917 37.351 1.00 48.52 ATOM 2434 N ARG F 35 14.650 72.859 41.171 1.00 14.62 ATOM 2436 CA ARG F 35 13.890 72.096 42.122 1.00 15.02 ATOM 2449 C ARG F 35 14.929 71.280 42.868 1.00 13.82 ATOM 2450 O ARG F 35 14.805 70.069 42.979 1.00 14.70 ATOM 2437 CB ARG F 35 12.916 71.163 41.414 1.00 17.64 ATOM 2438 CG ARG F 35 11.809 71.795 40.597 1.00 21.06 ATOM 2439 CD ARG F 35 10.744 72.376 41.502 1.00 28.84 ATOM 2440 NE ARG F 35 9.574 72.861 40.784 1.00 32.83 ATOM 2442 CZ ARG F 35 8.778 73.860 41.225 1.00 34.29 ATOM 2443 NH1 ARG F 35 8.979 74.520 42.373 1.00 35.63 ATOM 2446 NH2 ARG F 35 7.723 74.194 40.485 1.00 35.80 ATOM 2451 N GLU F 36 15.992 71.864 43.396 1.00 15.48 ATOM 2453 CA GLU F 36 17.021 71.116 44.147 1.00 17.95 ATOM 2459 C GLU F 36 16.508 71.149 45.578 1.00 17.26 ATOM 2460 O GLU F 36 16.740 72.101 46.316 1.00 17.50 ATOM 2454 CB GLU F 36 18.401 71.790 44.125 1.00 17.30 ATOM 2455 CG GLU F 36 18.989 71.986 42.719 1.00 17.62 ATOM 2456 CD GLU F 36 18.493 73.202 41.955 1.00 17.70 ATOM 2457 OE1 GLU F 36 17.646 73.919 42.489 1.00 14.18 ATOM 2458 OE2 GLU F 36 18.979 73.421 40.838 1.00 17.61 ATOM 2461 N MET F 37 15.825 70.104 45.983 1.00 18.21 ATOM 2463 CA MET F 37 14.998 70.170 47.186 1.00 19.62 ATOM 2468 C MET F 37 14.838 68.805 47.798 1.00 17.70 ATOM 2469 O MET F 37 15.129 67.810 47.120 1.00 18.51 ATOM 2464 CB MET F 37 13.612 70.720 46.794 1.00 20.15 ATOM 2465 CG MET F 37 12.835 69.850 45.808 1.00 20.82 ATOM 2466 SD MET F 37 11.384 70.760 45.248 1.00 27.07 ATOM 2467 CE MET F 37 10.477 70.987 46.746 1.00 25.18 ATOM 2470 N VAL F 38 14.337 68.735 49.027 1.00 15.96 ATOM 2472 CA VAL F 38 14.053 67.457 49.647 1.00 13.59 ATOM 2476 C VAL F 38 12.581 67.584 50.018 1.00 14.23 ATOM 2477 O VAL F 38 12.110 68.676 50.374 1.00 12.79 ATOM 2473 CB VAL F 38 14.967 67.247 50.883 1.00 12.86 ATOM 2474 CG1 VAL F 38 14.403 66.176 51.776 1.00 13.98 ATOM 2475 CG2 VAL F 38 16.335 66.722 50.444 1.00 8.75 ATOM 2478 N ILE F 39 11.861 66.468 49.887 1.00 11.82 ATOM 2480 CA ILE F 39 10.432 66.359 50.163 1.00 13.27 ATOM 2485 C ILE F 39 10.338 65.139 51.064 1.00 15.31 ATOM 2486 O ILE F 39 10.964 64.113 50.733 1.00 17.85 ATOM 2481 CB ILE F 39 9.617 66.052 48.889 1.00 15.44 ATOM 2483 CG1 ILE F 39 9.807 67.129 47.800 1.00 14.24 ATOM 2482 CG2 ILE F 39 8.161 65.962 49.280 1.00 15.91 ATOM 2484 CD1 ILE F 39 9.034 66.805 46.534 1.00 13.18 ATOM 2487 N ILE F 40 9.618 65.199 52.189 1.00 14.32 ATOM 2489 CA ILE F 40 9.432 64.044 53.075 1.00 13.36 ATOM 2494 C ILE F 40 7.941 63.890 53.292 1.00 13.06 ATOM 2495 O ILE F 40 7.212 64.881 53.177 1.00 12.47 ATOM 2490 CB ILE F 40 10.127 64.216 54.480 1.00 12.98 ATOM 2492 CG1 ILE F 40 9.720 65.511 55.176 1.00 13.99 ATOM 2491 CG2 ILE F 40 11.640 64.164 54.267 1.00 11.56 ATOM 2493 CD1 ILE F 40 9.972 65.647 56.721 1.00 11.52 ATOM 2496 N THR F 41 7.452 62.690 53.541 1.00 14.52 ATOM 2498 CA THR F 41 6.055 62.474 53.873 1.00 17.55 ATOM 2503 C THR F 41 6.041 61.592 55.094 1.00 21.44 ATOM 2504 O THR F 41 6.999 60.825 55.330 1.00 22.09 ATOM 2499 CB THR F 41 5.248 61.682 52.861 1.00 18.55 ATOM 2500 OG1 THR F 41 5.895 60.406 52.751 1.00 21.63 ATOM 2502 CG2 THR F 41 5.172 62.333 51.508 1.00 16.21 ATOM 2505 N PHE F 42 4.899 61.620 55.784 1.00 23.13 ATOM 2507 CA PHE F 42 4.648 60.780 56.960 1.00 23.76 ATOM 2515 C PHE F 42 3.404 59.908 56.680 1.00 27.65 ATOM 2516 O PHE F 42 2.589 60.253 55.805 1.00 27.72 ATOM 2508 CB PHE F 42 4.438 61.686 58.221 1.00 19.92 ATOM 2509 CG PHE F 42 5.708 62.429 58.623 1.00 18.71 ATOM 2510 CD1 PHE F 42 6.637 61.805 59.422 1.00 16.35 ATOM 2511 CD2 PHE F 42 5.951 63.712 58.169 1.00 19.23 ATOM 2512 CE1 PHE F 42 7.804 62.465 59.761 1.00 16.90 ATOM 2513 CE2 PHE F 42 7.125 64.348 58.520 1.00 17.64 ATOM 2514 CZ PHE F 42 8.054 63.735 59.312 1.00 16.08 ATOM 2517 N LYS F 43 3.231 58.775 57.394 1.00 31.18 ATOM 2519 CA LYS F 43 2.102 57.818 57.290 1.00 36.00 ATOM 2528 C LYS F 43 0.724 58.485 57.369 1.00 33.76 ATOM 2529 O LYS F 43 -0.218 58.119 56.675 1.00 34.43 ATOM 2520 CB LYS F 43 2.133 56.748 58.411 1.00 41.79 ATOM 2521 CG LYS F 43 3.359 55.794 58.470 1.00 52.31 ATOM 2522 CD LYS F 43 4.805 56.399 58.671 1.00 55.98 ATOM 2523 CE LYS F 43 5.848 55.307 58.981 1.00 57.28 ATOM 2524 NZ LYS F 43 5.580 54.714 60.289 1.00 59.44 ATOM 2530 N SER F 44 0.591 59.505 58.191 1.00 31.10 ATOM 2532 CA SER F 44 -0.624 60.281 58.273 1.00 32.86 ATOM 2536 C SER F 44 -0.878 61.181 57.059 1.00 32.54 ATOM 2537 O SER F 44 -1.798 61.995 57.102 1.00 32.72 ATOM 2533 CB SER F 44 -0.536 61.092 59.527 1.00 32.77 ATOM 2534 OG SER F 44 0.823 61.506 59.668 1.00 36.64 ATOM 2538 N GLY F 45 -0.073 61.125 55.991 1.00 31.76 ATOM 2540 CA GLY F 45 -0.334 61.836 54.760 1.00 30.04 ATOM 2541 C GLY F 45 0.288 63.209 54.650 1.00 30.04 ATOM 2542 O GLY F 45 0.231 63.786 53.557 1.00 30.76 ATOM 2543 N GLU F 46 0.868 63.774 55.713 1.00 27.72 ATOM 2545 CA GLU F 46 1.518 65.074 55.572 1.00 29.36 ATOM 2551 C GLU F 46 2.818 65.045 54.755 1.00 24.13 ATOM 2552 O GLU F 46 3.634 64.130 54.908 1.00 22.45 ATOM 2546 CB GLU F 46 1.840 65.679 56.940 1.00 31.93 ATOM 2547 CG GLU F 46 0.626 66.059 57.797 1.00 36.81 ATOM 2548 CD GLU F 46 0.476 65.149 59.013 1.00 42.03 ATOM 2549 OE1 GLU F 46 0.686 63.941 58.880 1.00 42.82 ATOM 2550 OE2 GLU F 46 0.155 65.647 60.096 1.00 45.40 ATOM 2553 N THR F 47 2.999 66.073 53.928 1.00 20.51 ATOM 2555 CA THR F 47 4.164 66.232 53.078 1.00 17.64 ATOM 2560 C THR F 47 4.814 67.563 53.402 1.00 16.60 ATOM 2561 O THR F 47 4.111 68.541 53.627 1.00 13.27 ATOM 2556 CB THR F 47 3.758 66.205 51.597 1.00 16.03 ATOM 2557 OG1 THR F 47 3.181 64.927 51.356 1.00 18.87 ATOM 2559 CG2 THR F 47 4.939 66.379 50.653 1.00 12.80 ATOM 2562 N PHE F 48 6.140 67.644 53.464 1.00 17.88 ATOM 2564 CA PHE F 48 6.820 68.875 53.787 1.00 17.39 ATOM 2572 C PHE F 48 8.003 68.959 52.870 1.00 16.61 ATOM 2573 O PHE F 48 8.430 67.928 52.341 1.00 17.72 ATOM 2565 CB PHE F 48 7.299 68.858 55.217 1.00 19.42 ATOM 2566 CG PHE F 48 6.179 68.668 56.236 1.00 20.61 ATOM 2567 CD1 PHE F 48 5.461 69.768 56.686 1.00 19.98 ATOM 2568 CD2 PHE F 48 5.897 67.394 56.711 1.00 21.21 ATOM 2569 CE1 PHE F 48 4.456 69.604 57.622 1.00 17.43 ATOM 2570 CE2 PHE F 48 4.895 67.242 57.641 1.00 19.87 ATOM 2571 CZ PHE F 48 4.185 68.342 58.090 1.00 19.34 ATOM 2574 N GLN F 49 8.513 70.165 52.623 1.00 15.89 ATOM 2576 CA GLN F 49 9.684 70.314 51.799 1.00 10.69 ATOM 2584 C GLN F 49 10.704 71.163 52.525 1.00 11.34 ATOM 2585 O GLN F 49 10.389 71.942 53.429 1.00 10.50 ATOM 2577 CB GLN F 49 9.324 70.997 50.498 1.00 10.65 ATOM 2578 CG GLN F 49 8.799 72.404 50.697 1.00 9.73 ATOM 2579 CD GLN F 49 8.809 73.297 49.474 1.00 12.79 ATOM 2580 OE1 GLN F 49 9.749 73.376 48.683 1.00 15.47 ATOM 2581 NE2 GLN F 49 7.757 74.056 49.277 1.00 14.48 ATOM 2586 N VAL F 50 11.945 70.976 52.159 1.00 11.34 ATOM 2588 CA VAL F 50 12.985 71.914 52.491 1.00 12.78 ATOM 2592 C VAL F 50 13.063 72.718 51.176 1.00 15.63 ATOM 2593 O VAL F 50 13.358 72.135 50.125 1.00 16.78 ATOM 2589 CB VAL F 50 14.311 71.187 52.777 1.00 11.39 ATOM 2590 CG1 VAL F 50 15.393 72.245 52.971 1.00 14.53 ATOM 2591 CG2 VAL F 50 14.235 70.391 54.063 1.00 12.53 ATOM 2594 N GLU F 51 12.846 74.023 51.127 1.00 17.83 ATOM 2596 CA GLU F 51 12.779 74.660 49.847 1.00 20.31 ATOM 2602 C GLU F 51 14.090 75.024 49.244 1.00 20.20 ATOM 2603 O GLU F 51 15.140 75.009 49.880 1.00 20.76 ATOM 2597 CB GLU F 51 11.870 75.881 49.951 1.00 22.46 ATOM 2598 CG GLU F 51 12.025 77.015 50.937 1.00 27.20 ATOM 2599 CD GLU F 51 10.844 77.997 50.953 1.00 28.36 ATOM 2600 OE1 GLU F 51 10.590 78.712 49.981 1.00 28.78 ATOM 2601 OE2 GLU F 51 10.212 78.105 51.987 1.00 26.16 ATOM 2604 N VAL F 52 14.010 75.272 47.947 1.00 21.53 ATOM 2606 CA VAL F 52 15.174 75.678 47.162 1.00 24.91 ATOM 2610 C VAL F 52 15.726 77.024 47.739 1.00 25.08 ATOM 2611 O VAL F 52 14.939 77.908 48.155 1.00 26.40 ATOM 2607 CB VAL F 52 14.716 75.787 45.640 1.00 24.47 ATOM 2608 CG1 VAL F 52 15.932 75.844 44.734 1.00 25.11 ATOM 2609 CG2 VAL F 52 13.993 74.540 45.157 1.00 25.64 ATOM 2612 N PRO F 53 17.059 77.235 47.870 1.00 23.05 ATOM 2614 CA PRO F 53 17.676 78.498 48.270 1.00 23.72 ATOM 2617 C PRO F 53 17.191 79.572 47.303 1.00 28.20 ATOM 2618 O PRO F 53 17.211 79.357 46.079 1.00 30.29 ATOM 2615 CB PRO F 53 19.166 78.298 48.156 1.00 22.90 ATOM 2616 CG PRO F 53 19.312 76.809 48.284 1.00 23.33 ATOM 2613 CD PRO F 53 18.088 76.252 47.574 1.00 23.69 ATOM 2619 N GLY F 54 16.854 80.747 47.813 1.00 27.65 ATOM 2621 CA GLY F 54 16.305 81.774 46.960 1.00 26.78 ATOM 2622 C GLY F 54 16.632 83.118 47.575 1.00 28.57 ATOM 2623 O GLY F 54 17.286 83.184 48.618 1.00 29.26 ATOM 2624 N SER F 55 16.138 84.185 46.975 1.00 30.15 ATOM 2626 CA SER F 55 16.368 85.543 47.420 1.00 33.10 ATOM 2630 C SER F 55 15.721 85.841 48.761 1.00 33.05 ATOM 2631 O SER F 55 16.061 86.807 49.440 1.00 35.28 ATOM 2627 CB SER F 55 15.842 86.484 46.328 1.00 35.53 ATOM 2628 OG SER F 55 14.711 85.915 45.652 1.00 39.32 ATOM 2632 N GLN F 56 14.768 85.000 49.160 1.00 32.71 ATOM 2634 CA GLN F 56 14.167 85.128 50.469 1.00 30.62 ATOM 2642 C GLN F 56 15.109 84.581 51.539 1.00 30.08 ATOM 2643 O GLN F 56 14.763 84.655 52.716 1.00 35.47 ATOM 2635 CB GLN F 56 12.843 84.372 50.514 1.00 28.98 ATOM 2636 CG GLN F 56 12.857 82.862 50.665 1.00 29.04 ATOM 2637 CD GLN F 56 12.890 82.095 49.372 1.00 31.62 ATOM 2638 OE1 GLN F 56 13.639 82.464 48.475 1.00 35.60 ATOM 2639 NE2 GLN F 56 12.155 81.007 49.191 1.00 32.74 ATOM 2644 N HIS F 57 16.274 83.998 51.220 1.00 26.79 ATOM 2646 CA HIS F 57 17.166 83.400 52.205 1.00 23.11 ATOM 2655 C HIS F 57 18.369 84.296 52.444 1.00 23.78 ATOM 2656 O HIS F 57 19.018 84.766 51.499 1.00 24.10 ATOM 2647 CB HIS F 57 17.619 82.029 51.712 1.00 19.69 ATOM 2648 CG HIS F 57 16.466 81.034 51.682 1.00 18.99 ATOM 2650 ND1 HIS F 57 15.965 80.270 50.708 1.00 20.27 ATOM 2649 CD2 HIS F 57 15.737 80.747 52.805 1.00 19.67 ATOM 2652 CE1 HIS F 57 14.987 79.542 51.198 1.00 21.43 ATOM 2653 NE2 HIS F 57 14.871 79.843 52.456 1.00 21.93 ATOM 2657 N ILE F 58 18.677 84.603 53.700 1.00 21.31 ATOM 2659 CA ILE F 58 19.817 85.475 53.920 1.00 21.87 ATOM 2664 C ILE F 58 21.085 84.658 53.859 1.00 22.15 ATOM 2665 O ILE F 58 20.981 83.430 53.826 1.00 22.46 ATOM 2660 CB ILE F 58 19.662 86.233 55.290 1.00 23.47 ATOM 2662 CG1 ILE F 58 19.325 85.359 56.489 1.00 23.69 ATOM 2661 CG2 ILE F 58 18.521 87.233 55.075 1.00 22.39 ATOM 2663 CD1 ILE F 58 19.435 86.142 57.799 1.00 20.61 ATOM 2666 N ASP F 59 22.308 85.173 53.825 1.00 26.69 ATOM 2668 CA ASP F 59 23.454 84.275 53.736 1.00 31.84 ATOM 2673 C ASP F 59 23.626 83.261 54.859 1.00 29.88 ATOM 2674 O ASP F 59 24.052 82.147 54.578 1.00 30.26 ATOM 2669 CB ASP F 59 24.766 85.051 53.637 1.00 42.24 ATOM 2670 CG ASP F 59 25.511 84.686 52.348 1.00 52.64 ATOM 2671 OD1 ASP F 59 25.694 83.492 52.066 1.00 54.25 ATOM 2672 OD2 ASP F 59 25.891 85.604 51.602 1.00 60.03 ATOM 2675 N SER F 60 23.279 83.539 56.118 1.00 26.64 ATOM 2677 CA SER F 60 23.419 82.609 57.233 1.00 21.23 ATOM 2681 C SER F 60 22.489 81.428 57.102 1.00 19.16 ATOM 2682 O SER F 60 22.670 80.370 57.697 1.00 22.82 ATOM 2678 CB SER F 60 23.128 83.367 58.501 1.00 19.53 ATOM 2679 OG SER F 60 21.895 84.091 58.416 1.00 21.14 ATOM 2683 N GLN F 61 21.435 81.553 56.331 1.00 17.47 ATOM 2685 CA GLN F 61 20.552 80.425 56.096 1.00 19.08 ATOM 2693 C GLN F 61 21.065 79.488 55.025 1.00 21.07 ATOM 2694 O GLN F 61 20.606 78.352 54.946 1.00 23.63 ATOM 2686 CB GLN F 61 19.189 80.877 55.648 1.00 18.99 ATOM 2687 CG GLN F 61 18.432 81.503 56.757 1.00 18.27 ATOM 2688 CD GLN F 61 17.119 81.974 56.225 1.00 18.62 ATOM 2689 OE1 GLN F 61 17.061 82.931 55.449 1.00 19.53 ATOM 2690 NE2 GLN F 61 16.057 81.308 56.608 1.00 16.94 ATOM 2695 N LYS F 62 21.996 79.887 54.171 1.00 20.97 ATOM 2697 CA LYS F 62 22.395 79.044 53.068 1.00 24.05 ATOM 2706 C LYS F 62 23.039 77.769 53.570 1.00 23.79 ATOM 2707 O LYS F 62 22.661 76.689 53.112 1.00 22.00 ATOM 2698 CB LYS F 62 23.359 79.810 52.170 1.00 28.07 ATOM 2699 CG LYS F 62 22.769 80.352 50.837 1.00 32.55 ATOM 2700 CD LYS F 62 21.859 81.589 50.836 1.00 35.30 ATOM 2701 CE LYS F 62 21.468 82.023 49.398 1.00 37.72 ATOM 2702 NZ LYS F 62 20.718 83.275 49.342 1.00 39.71 ATOM 2708 N LYS F 63 23.968 77.837 54.527 1.00 22.68 ATOM 2710 CA LYS F 63 24.520 76.618 55.076 1.00 22.18 ATOM 2719 C LYS F 63 23.499 75.913 55.991 1.00 18.89 ATOM 2720 O LYS F 63 23.536 74.675 56.142 1.00 19.44 ATOM 2711 CB LYS F 63 25.818 76.919 55.846 1.00 24.54 ATOM 2712 CG LYS F 63 27.032 77.228 54.972 1.00 32.07 ATOM 2713 CD LYS F 63 28.394 77.134 55.704 1.00 39.84 ATOM 2714 CE LYS F 63 28.897 78.448 56.378 1.00 48.02 ATOM 2715 NZ LYS F 63 30.162 78.361 57.140 1.00 50.02 ATOM 2721 N ALA F 64 22.541 76.614 56.612 1.00 16.42 ATOM 2723 CA ALA F 64 21.522 75.959 57.436 1.00 13.78 ATOM 2725 C ALA F 64 20.523 75.098 56.594 1.00 15.50 ATOM 2726 O ALA F 64 20.068 74.037 57.081 1.00 14.73 ATOM 2724 CB ALA F 64 20.759 77.030 58.245 1.00 7.36 ATOM 2727 N ILE F 65 20.173 75.461 55.333 1.00 13.97 ATOM 2729 CA ILE F 65 19.329 74.674 54.417 1.00 12.68 ATOM 2734 C ILE F 65 20.002 73.320 54.157 1.00 13.10 ATOM 2735 O ILE F 65 19.352 72.263 54.156 1.00 15.22 ATOM 2730 CB ILE F 65 19.157 75.486 53.099 1.00 13.27 ATOM 2732 CG1 ILE F 65 18.213 76.650 53.344 1.00 14.42 ATOM 2731 CG2 ILE F 65 18.588 74.622 51.991 1.00 11.16 ATOM 2733 CD1 ILE F 65 18.226 77.722 52.217 1.00 16.34 ATOM 2736 N GLU F 66 21.318 73.346 53.927 1.00 13.19 ATOM 2738 CA GLU F 66 22.097 72.140 53.708 1.00 14.28 ATOM 2744 C GLU F 66 22.183 71.251 54.939 1.00 13.28 ATOM 2745 O GLU F 66 22.087 70.034 54.789 1.00 13.04 ATOM 2739 CB GLU F 66 23.524 72.479 53.259 1.00 16.22 ATOM 2740 CG GLU F 66 23.584 73.343 51.992 1.00 16.82 ATOM 2741 CD GLU F 66 22.754 72.770 50.845 1.00 19.45 ATOM 2742 OE1 GLU F 66 22.888 71.580 50.538 1.00 20.82 ATOM 2743 OE2 GLU F 66 21.923 73.487 50.275 1.00 18.97 ATOM 2746 N ARG F 67 22.389 71.779 56.152 1.00 10.16 ATOM 2748 CA ARG F 67 22.354 70.977 57.384 1.00 11.32 ATOM 2761 C ARG F 67 20.974 70.338 57.581 1.00 8.77 ATOM 2762 O ARG F 67 20.893 69.183 58.005 1.00 7.44 ATOM 2749 CB ARG F 67 22.700 71.866 58.601 1.00 8.85 ATOM 2750 CG ARG F 67 22.500 71.215 59.948 1.00 10.49 ATOM 2751 CD ARG F 67 22.874 72.127 61.114 1.00 12.13 ATOM 2752 NE ARG F 67 24.246 72.553 60.894 1.00 13.37 ATOM 2754 CZ ARG F 67 25.275 71.773 61.202 1.00 14.04 ATOM 2755 NH1 ARG F 67 25.075 70.572 61.749 1.00 10.63 ATOM 2758 NH2 ARG F 67 26.511 72.195 60.885 1.00 13.68 ATOM 2763 N MET F 68 19.873 71.016 57.238 1.00 9.32 ATOM 2765 CA MET F 68 18.530 70.468 57.395 1.00 10.31 ATOM 2770 C MET F 68 18.329 69.293 56.463 1.00 8.52 ATOM 2771 O MET F 68 17.756 68.255 56.841 1.00 8.45 ATOM 2766 CB MET F 68 17.513 71.567 57.121 1.00 11.90 ATOM 2767 CG MET F 68 16.034 71.212 57.339 1.00 13.88 ATOM 2768 SD MET F 68 15.785 70.651 59.031 1.00 19.93 ATOM 2769 CE MET F 68 15.897 72.224 59.847 1.00 14.07 ATOM 2772 N LYS F 69 18.823 69.389 55.241 1.00 6.06 ATOM 2774 CA LYS F 69 18.725 68.216 54.355 1.00 9.17 ATOM 2783 C LYS F 69 19.571 67.038 54.844 1.00 10.44 ATOM 2784 O LYS F 69 19.135 65.891 54.708 1.00 10.92 ATOM 2775 CB LYS F 69 19.173 68.552 52.950 1.00 8.26 ATOM 2776 CG LYS F 69 18.138 69.467 52.322 1.00 11.29 ATOM 2777 CD LYS F 69 18.475 70.021 50.940 1.00 11.25 ATOM 2778 CE LYS F 69 19.520 71.122 50.913 1.00 13.72 ATOM 2779 NZ LYS F 69 19.446 71.948 49.693 1.00 17.19 ATOM 2785 N ASP F 70 20.803 67.258 55.381 1.00 12.39 ATOM 2787 CA ASP F 70 21.618 66.210 55.995 1.00 10.25 ATOM 2792 C ASP F 70 20.885 65.582 57.203 1.00 11.30 ATOM 2793 O ASP F 70 20.923 64.363 57.419 1.00 16.35 ATOM 2788 CB ASP F 70 22.933 66.744 56.515 1.00 8.33 ATOM 2789 CG ASP F 70 23.925 67.382 55.553 1.00 12.25 ATOM 2790 OD1 ASP F 70 23.859 67.091 54.362 1.00 15.81 ATOM 2791 OD2 ASP F 70 24.785 68.152 56.007 1.00 10.88 ATOM 2794 N THR F 71 20.193 66.372 58.011 1.00 8.51 ATOM 2796 CA THR F 71 19.440 65.858 59.132 1.00 8.77 ATOM 2801 C THR F 71 18.316 65.004 58.652 1.00 10.54 ATOM 2802 O THR F 71 18.233 63.882 59.139 1.00 16.67 ATOM 2797 CB THR F 71 18.881 66.990 59.990 1.00 8.19 ATOM 2798 OG1 THR F 71 20.064 67.593 60.517 1.00 7.04 ATOM 2800 CG2 THR F 71 17.898 66.570 61.078 1.00 7.29 ATOM 2803 N LEU F 72 17.495 65.416 57.697 1.00 10.71 ATOM 2805 CA LEU F 72 16.396 64.595 57.209 1.00 9.43 ATOM 2810 C LEU F 72 16.857 63.304 56.575 1.00 9.22 ATOM 2811 O LEU F 72 16.266 62.243 56.776 1.00 11.88 ATOM 2806 CB LEU F 72 15.593 65.369 56.179 1.00 13.96 ATOM 2807 CG LEU F 72 14.956 66.682 56.651 1.00 16.17 ATOM 2808 CD1 LEU F 72 14.180 67.381 55.538 1.00 13.77 ATOM 2809 CD2 LEU F 72 14.021 66.347 57.779 1.00 17.56 ATOM 2812 N ARG F 73 17.905 63.326 55.760 1.00 6.24 ATOM 2814 CA ARG F 73 18.415 62.097 55.227 1.00 5.65 ATOM 2827 C ARG F 73 18.868 61.170 56.337 1.00 9.06 ATOM 2828 O ARG F 73 18.540 59.989 56.273 1.00 11.83 ATOM 2815 CB ARG F 73 19.576 62.386 54.323 1.00 6.55 ATOM 2816 CG ARG F 73 20.219 61.160 53.768 1.00 6.58 ATOM 2817 CD ARG F 73 21.357 61.543 52.790 1.00 11.36 ATOM 2818 NE ARG F 73 22.426 62.338 53.378 1.00 11.37 ATOM 2820 CZ ARG F 73 23.273 63.080 52.650 1.00 10.70 ATOM 2821 NH1 ARG F 73 23.201 63.146 51.316 1.00 11.36 ATOM 2824 NH2 ARG F 73 24.212 63.780 53.258 1.00 6.84 ATOM 2829 N ILE F 74 19.624 61.611 57.354 1.00 11.66 ATOM 2831 CA ILE F 74 20.098 60.650 58.334 1.00 12.76 ATOM 2836 C ILE F 74 18.943 60.205 59.238 1.00 14.31 ATOM 2837 O ILE F 74 18.895 59.019 59.569 1.00 16.24 ATOM 2832 CB ILE F 74 21.284 61.290 59.118 1.00 12.16 ATOM 2834 CG1 ILE F 74 21.931 60.206 59.932 1.00 10.06 ATOM 2833 CG2 ILE F 74 20.862 62.401 60.071 1.00 13.19 ATOM 2835 CD1 ILE F 74 22.814 59.290 59.118 1.00 12.55 ATOM 2838 N THR F 75 17.942 61.018 59.595 1.00 14.19 ATOM 2840 CA THR F 75 16.895 60.513 60.439 1.00 13.08 ATOM 2845 C THR F 75 15.947 59.674 59.602 1.00 13.85 ATOM 2846 O THR F 75 15.299 58.785 60.172 1.00 17.02 ATOM 2841 CB THR F 75 16.188 61.690 61.174 1.00 13.43 ATOM 2842 OG1 THR F 75 15.573 62.536 60.287 1.00 19.11 ATOM 2844 CG2 THR F 75 17.168 62.607 61.773 1.00 7.98 ATOM 2847 N TYR F 76 15.834 59.836 58.279 1.00 11.98 ATOM 2849 CA TYR F 76 15.071 58.879 57.489 1.00 11.58 ATOM 2859 C TYR F 76 15.782 57.527 57.557 1.00 11.55 ATOM 2860 O TYR F 76 15.133 56.518 57.794 1.00 11.73 ATOM 2850 CB TYR F 76 14.932 59.291 55.981 1.00 11.60 ATOM 2851 CG TYR F 76 14.420 58.133 55.136 1.00 10.97 ATOM 2852 CD1 TYR F 76 13.118 57.685 55.220 1.00 13.05 ATOM 2854 CD2 TYR F 76 15.292 57.437 54.341 1.00 11.35 ATOM 2853 CE1 TYR F 76 12.705 56.550 54.530 1.00 12.54 ATOM 2855 CE2 TYR F 76 14.889 56.309 53.658 1.00 11.23 ATOM 2856 CZ TYR F 76 13.602 55.865 53.750 1.00 13.13 ATOM 2857 OH TYR F 76 13.243 54.696 53.086 1.00 17.00 ATOM 2861 N LEU F 77 17.091 57.423 57.358 1.00 11.93 ATOM 2863 CA LEU F 77 17.755 56.133 57.365 1.00 14.14 ATOM 2868 C LEU F 77 17.798 55.434 58.719 1.00 14.30 ATOM 2869 O LEU F 77 17.787 54.192 58.794 1.00 13.55 ATOM 2864 CB LEU F 77 19.164 56.312 56.841 1.00 15.53 ATOM 2865 CG LEU F 77 19.324 56.668 55.397 1.00 16.47 ATOM 2866 CD1 LEU F 77 20.765 57.012 55.241 1.00 16.45 ATOM 2867 CD2 LEU F 77 18.900 55.539 54.470 1.00 17.84 ATOM 2870 N THR F 78 17.872 56.217 59.801 1.00 12.44 ATOM 2872 CA THR F 78 17.872 55.584 61.083 1.00 10.45 ATOM 2877 C THR F 78 16.467 55.373 61.607 1.00 13.21 ATOM 2878 O THR F 78 16.302 54.840 62.692 1.00 17.22 ATOM 2873 CB THR F 78 18.720 56.429 62.024 1.00 7.99 ATOM 2874 OG1 THR F 78 18.256 57.762 62.035 1.00 8.65 ATOM 2876 CG2 THR F 78 20.168 56.323 61.586 1.00 6.53 ATOM 2879 N GLU F 79 15.398 55.711 60.907 1.00 13.28 ATOM 2881 CA GLU F 79 14.030 55.540 61.345 1.00 13.68 ATOM 2887 C GLU F 79 13.856 56.249 62.684 1.00 15.17 ATOM 2888 O GLU F 79 13.195 55.769 63.615 1.00 16.71 ATOM 2882 CB GLU F 79 13.694 54.014 61.436 1.00 14.33 ATOM 2883 CG GLU F 79 13.985 53.270 60.154 1.00 15.88 ATOM 2884 CD GLU F 79 13.642 51.791 60.129 1.00 18.74 ATOM 2885 OE1 GLU F 79 12.470 51.464 60.035 1.00 20.81 ATOM 2886 OE2 GLU F 79 14.544 50.958 60.150 1.00 22.12 ATOM 2889 N THR F 80 14.461 57.428 62.824 1.00 16.96 ATOM 2891 CA THR F 80 14.341 58.199 64.060 1.00 17.09 ATOM 2896 C THR F 80 13.048 58.990 64.004 1.00 19.37 ATOM 2897 O THR F 80 12.782 59.624 62.977 1.00 21.16 ATOM 2892 CB THR F 80 15.536 59.153 64.209 1.00 17.01 ATOM 2893 OG1 THR F 80 16.665 58.301 64.310 1.00 18.94 ATOM 2895 CG2 THR F 80 15.536 60.025 65.450 1.00 16.95 ATOM 2898 N LYS F 81 12.253 58.916 65.084 1.00 19.00 ATOM 2900 CA LYS F 81 11.016 59.654 65.201 1.00 21.15 ATOM 2909 C LYS F 81 11.327 61.119 65.389 1.00 20.30 ATOM 2910 O LYS F 81 12.247 61.505 66.109 1.00 18.85 ATOM 2901 CB LYS F 81 10.204 59.226 66.402 1.00 27.66 ATOM 2902 CG LYS F 81 9.758 57.763 66.526 1.00 35.82 ATOM 2903 CD LYS F 81 8.811 57.806 67.711 1.00 41.86 ATOM 2904 CE LYS F 81 8.336 56.452 68.187 1.00 48.86 ATOM 2905 NZ LYS F 81 7.454 56.676 69.331 1.00 53.27 ATOM 2911 N ILE F 82 10.525 61.911 64.705 1.00 21.63 ATOM 2913 CA ILE F 82 10.566 63.358 64.678 1.00 19.68 ATOM 2918 C ILE F 82 9.462 63.666 65.679 1.00 21.74 ATOM 2919 O ILE F 82 8.360 63.108 65.598 1.00 19.77 ATOM 2914 CB ILE F 82 10.141 63.932 63.290 1.00 20.12 ATOM 2916 CG1 ILE F 82 10.966 63.344 62.147 1.00 20.89 ATOM 2915 CG2 ILE F 82 10.268 65.442 63.344 1.00 20.74 ATOM 2917 CD1 ILE F 82 12.490 63.313 62.369 1.00 20.62 ATOM 2920 N ASP F 83 9.720 64.565 66.614 1.00 21.92 ATOM 2922 CA ASP F 83 8.723 65.007 67.565 1.00 19.89 ATOM 2927 C ASP F 83 7.867 66.151 67.008 1.00 16.80 ATOM 2928 O ASP F 83 6.654 66.028 66.862 1.00 17.69 ATOM 2923 CB ASP F 83 9.492 65.403 68.804 1.00 24.54 ATOM 2924 CG ASP F 83 8.605 65.916 69.920 1.00 30.66 ATOM 2925 OD1 ASP F 83 7.518 65.341 70.120 1.00 33.82 ATOM 2926 OD2 ASP F 83 9.017 66.897 70.563 1.00 32.03 ATOM 2929 N LYS F 84 8.424 67.280 66.619 1.00 16.89 ATOM 2931 CA LYS F 84 7.682 68.421 66.125 1.00 17.43 ATOM 2940 C LYS F 84 8.327 69.034 64.901 1.00 14.76 ATOM 2941 O LYS F 84 9.548 68.930 64.729 1.00 14.26 ATOM 2932 CB LYS F 84 7.615 69.535 67.174 1.00 19.80 ATOM 2933 CG LYS F 84 6.669 69.248 68.293 1.00 22.21 ATOM 2934 CD LYS F 84 6.611 70.396 69.277 1.00 27.57 ATOM 2935 CE LYS F 84 6.275 69.844 70.668 1.00 31.95 ATOM 2936 NZ LYS F 84 5.024 69.098 70.675 1.00 34.87 ATOM 2942 N LEU F 85 7.543 69.717 64.080 1.00 15.29 ATOM 2944 CA LEU F 85 8.121 70.514 63.015 1.00 16.01 ATOM 2949 C LEU F 85 7.594 71.924 63.122 1.00 16.16 ATOM 2950 O LEU F 85 6.454 72.102 63.547 1.00 15.96 ATOM 2945 CB LEU F 85 7.748 69.954 61.693 1.00 18.96 ATOM 2946 CG LEU F 85 8.496 68.689 61.348 1.00 22.79 ATOM 2947 CD1 LEU F 85 7.841 67.977 60.179 1.00 24.35 ATOM 2948 CD2 LEU F 85 9.925 69.073 61.031 1.00 22.89 ATOM 2951 N CYS F 86 8.395 72.950 62.846 1.00 16.05 ATOM 2953 CA CYS F 86 7.901 74.311 62.775 1.00 18.30 ATOM 2954 C CYS F 86 7.923 74.542 61.284 1.00 17.15 ATOM 2955 O CYS F 86 8.969 74.336 60.671 1.00 16.76 ATOM 2956 CB CYS F 86 8.840 75.313 63.464 1.00 20.30 ATOM 2957 SG CYS F 86 8.473 77.047 63.065 1.00 22.64 ATOM 2958 N VAL F 87 6.830 74.902 60.629 1.00 19.72 ATOM 2960 CA VAL F 87 6.821 75.038 59.182 1.00 19.82 ATOM 2964 C VAL F 87 6.237 76.387 58.775 1.00 19.82 ATOM 2965 O VAL F 87 5.420 76.926 59.525 1.00 19.04 ATOM 2961 CB VAL F 87 5.994 73.841 58.530 1.00 19.85 ATOM 2962 CG1 VAL F 87 6.596 72.501 58.973 1.00 18.21 ATOM 2963 CG2 VAL F 87 4.529 73.855 58.941 1.00 17.71 ATOM 2966 N TRP F 88 6.685 76.980 57.654 1.00 19.07 ATOM 2968 CA TRP F 88 6.027 78.130 57.045 1.00 16.92 ATOM 2980 C TRP F 88 4.893 77.528 56.218 1.00 19.16 ATOM 2981 O TRP F 88 5.050 76.576 55.435 1.00 19.52 ATOM 2969 CB TRP F 88 6.944 78.907 56.113 1.00 17.34 ATOM 2970 CG TRP F 88 8.041 79.677 56.822 1.00 18.15 ATOM 2974 CD1 TRP F 88 7.756 80.825 57.515 1.00 19.00 ATOM 2971 CD2 TRP F 88 9.383 79.349 56.867 1.00 18.88 ATOM 2975 NE1 TRP F 88 8.915 81.220 58.011 1.00 18.99 ATOM 2972 CE2 TRP F 88 9.908 80.368 57.651 1.00 18.35 ATOM 2973 CE3 TRP F 88 10.224 78.359 56.373 1.00 18.90 ATOM 2977 CZ2 TRP F 88 11.267 80.393 57.937 1.00 16.69 ATOM 2978 CZ3 TRP F 88 11.575 78.395 56.661 1.00 15.54 ATOM 2979 CH2 TRP F 88 12.089 79.409 57.434 1.00 14.69 ATOM 2982 N ASN F 89 3.693 78.043 56.414 1.00 22.22 ATOM 2984 CA ASN F 89 2.476 77.545 55.775 1.00 25.44 ATOM 2991 C ASN F 89 1.966 78.387 54.622 1.00 26.76 ATOM 2992 O ASN F 89 0.802 78.340 54.206 1.00 27.77 ATOM 2985 CB ASN F 89 1.364 77.463 56.769 1.00 26.57 ATOM 2986 CG ASN F 89 1.043 78.811 57.384 1.00 28.33 ATOM 2987 OD1 ASN F 89 1.407 79.886 56.927 1.00 30.12 ATOM 2988 ND2 ASN F 89 0.376 78.804 58.509 1.00 32.16 ATOM 2993 N ASN F 90 2.838 79.244 54.160 1.00 24.36 ATOM 2995 CA ASN F 90 2.493 80.023 53.019 1.00 27.36 ATOM 3002 C ASN F 90 3.194 79.398 51.814 1.00 29.01 ATOM 3003 O ASN F 90 3.427 80.068 50.798 1.00 33.65 ATOM 2996 CB ASN F 90 2.945 81.443 53.278 1.00 28.02 ATOM 2997 CG ASN F 90 4.447 81.576 53.389 1.00 30.33 ATOM 2998 OD1 ASN F 90 5.161 80.678 53.845 1.00 30.64 ATOM 2999 ND2 ASN F 90 4.960 82.711 52.958 1.00 31.44 ATOM 3004 N LYS F 91 3.517 78.111 51.875 1.00 26.18 ATOM 3006 CA LYS F 91 4.253 77.413 50.838 1.00 23.28 ATOM 3015 C LYS F 91 3.503 76.104 50.736 1.00 25.41 ATOM 3016 O LYS F 91 2.959 75.654 51.759 1.00 28.96 ATOM 3007 CB LYS F 91 5.680 77.171 51.305 1.00 22.83 ATOM 3008 CG LYS F 91 6.815 77.934 50.675 1.00 25.31 ATOM 3009 CD LYS F 91 6.647 79.434 50.693 1.00 29.04 ATOM 3010 CE LYS F 91 7.384 80.105 49.542 1.00 28.45 ATOM 3011 NZ LYS F 91 8.549 80.818 50.022 1.00 27.68 ATOM 3017 N THR F 92 3.467 75.490 49.548 1.00 25.87 ATOM 3019 CA THR F 92 2.899 74.164 49.322 1.00 25.24 ATOM 3024 C THR F 92 3.913 73.214 48.636 1.00 24.05 ATOM 3025 O THR F 92 4.432 73.531 47.553 1.00 23.42 ATOM 3020 CB THR F 92 1.622 74.345 48.488 1.00 28.95 ATOM 3021 OG1 THR F 92 0.778 75.098 49.357 1.00 31.64 ATOM 3023 CG2 THR F 92 0.962 73.051 47.996 1.00 29.92 ATOM 3026 N PRO F 93 4.303 72.055 49.179 1.00 21.48 ATOM 3028 CA PRO F 93 4.071 71.654 50.562 1.00 19.93 ATOM 3031 C PRO F 93 4.658 72.604 51.586 1.00 20.83 ATOM 3032 O PRO F 93 5.509 73.411 51.223 1.00 23.18 ATOM 3029 CB PRO F 93 4.653 70.285 50.642 1.00 20.53 ATOM 3030 CG PRO F 93 5.638 70.223 49.509 1.00 21.49 ATOM 3027 CD PRO F 93 4.971 71.020 48.428 1.00 19.49 ATOM 3033 N ASN F 94 4.209 72.603 52.840 1.00 22.90 ATOM 3035 CA ASN F 94 4.739 73.450 53.891 1.00 20.92 ATOM 3042 C ASN F 94 6.232 73.260 53.977 1.00 19.18 ATOM 3043 O ASN F 94 6.770 72.168 53.807 1.00 20.14 ATOM 3036 CB ASN F 94 4.104 73.101 55.213 1.00 20.39 ATOM 3037 CG ASN F 94 2.646 73.524 55.293 1.00 23.28 ATOM 3038 OD1 ASN F 94 1.945 73.094 56.207 1.00 24.03 ATOM 3039 ND2 ASN F 94 2.072 74.349 54.416 1.00 22.29 ATOM 3044 N SER F 95 6.890 74.365 54.234 1.00 18.60 ATOM 3046 CA SER F 95 8.315 74.431 54.195 1.00 17.30 ATOM 3050 C SER F 95 8.867 74.309 55.607 1.00 17.72 ATOM 3051 O SER F 95 8.461 75.089 56.467 1.00 20.22 ATOM 3047 CB SER F 95 8.574 75.753 53.487 1.00 16.81 ATOM 3048 OG SER F 95 9.888 76.238 53.625 1.00 17.95 ATOM 3052 N ILE F 96 9.827 73.428 55.905 1.00 18.38 ATOM 3054 CA ILE F 96 10.366 73.232 57.258 1.00 16.92 ATOM 3059 C ILE F 96 11.300 74.338 57.698 1.00 15.54 ATOM 3060 O ILE F 96 12.229 74.695 56.972 1.00 17.70 ATOM 3055 CB ILE F 96 11.092 71.873 57.327 1.00 15.14 ATOM 3057 CG1 ILE F 96 10.092 70.737 57.143 1.00 12.04 ATOM 3056 CG2 ILE F 96 11.787 71.747 58.662 1.00 14.96 ATOM 3058 CD1 ILE F 96 10.799 69.452 56.693 1.00 10.89 ATOM 3061 N ALA F 97 10.983 74.917 58.855 1.00 13.56 ATOM 3063 CA ALA F 97 11.746 76.001 59.464 1.00 14.80 ATOM 3065 C ALA F 97 12.620 75.465 60.580 1.00 14.10 ATOM 3066 O ALA F 97 13.737 75.936 60.740 1.00 14.69 ATOM 3064 CB ALA F 97 10.832 77.066 60.062 1.00 13.68 ATOM 3067 N ALA F 98 12.166 74.456 61.318 1.00 14.43 ATOM 3069 CA ALA F 98 12.891 73.853 62.418 1.00 16.79 ATOM 3071 C ALA F 98 12.324 72.461 62.698 1.00 16.12 ATOM 3072 O ALA F 98 11.186 72.149 62.324 1.00 14.47 ATOM 3070 CB ALA F 98 12.744 74.703 63.693 1.00 19.38 ATOM 3073 N ILE F 99 13.093 71.613 63.369 1.00 14.20 ATOM 3075 CA ILE F 99 12.689 70.246 63.643 1.00 13.94 ATOM 3080 C ILE F 99 13.142 69.971 65.061 1.00 15.67 ATOM 3081 O ILE F 99 14.132 70.585 65.502 1.00 17.17 ATOM 3076 CB ILE F 99 13.383 69.301 62.586 1.00 15.09 ATOM 3078 CG1 ILE F 99 13.034 67.851 62.852 1.00 16.27 ATOM 3077 CG2 ILE F 99 14.920 69.430 62.659 1.00 15.26 ATOM 3079 CD1 ILE F 99 13.498 66.923 61.705 1.00 15.78 ATOM 3082 N SER F 100 12.415 69.143 65.810 1.00 16.01 ATOM 3084 CA SER F 100 12.933 68.668 67.085 1.00 15.45 ATOM 3088 C SER F 100 12.647 67.179 67.234 1.00 15.44 ATOM 3089 O SER F 100 11.692 66.606 66.684 1.00 15.66 ATOM 3085 CB SER F 100 12.309 69.415 68.268 1.00 13.01 ATOM 3086 OG SER F 100 10.921 69.113 68.353 1.00 14.62 ATOM 3090 N MET F 101 13.545 66.504 67.920 1.00 16.40 ATOM 3092 CA MET F 101 13.342 65.108 68.204 1.00 22.42 ATOM 3097 C MET F 101 13.793 64.821 69.623 1.00 23.14 ATOM 3098 O MET F 101 14.611 65.561 70.185 1.00 20.75 ATOM 3093 CB MET F 101 14.096 64.253 67.147 1.00 23.78 ATOM 3094 CG MET F 101 15.434 64.733 66.672 1.00 27.74 ATOM 3095 SD MET F 101 15.767 64.102 65.020 1.00 28.73 ATOM 3096 CE MET F 101 17.430 64.696 64.834 1.00 28.02 ATOM 3099 N LYS F 102 13.161 63.829 70.234 1.00 27.17 ATOM 3101 CA LYS F 102 13.445 63.448 71.607 1.00 35.06 ATOM 3110 C LYS F 102 13.155 61.990 71.761 1.00 35.39 ATOM 3111 O LYS F 102 12.473 61.392 70.911 1.00 34.61 ATOM 3102 CB LYS F 102 12.573 64.151 72.629 1.00 40.45 ATOM 3103 CG LYS F 102 11.055 64.007 72.495 1.00 48.00 ATOM 3104 CD LYS F 102 10.419 64.341 73.855 1.00 57.25 ATOM 3105 CE LYS F 102 10.787 65.749 74.415 1.00 62.12 ATOM 3106 NZ LYS F 102 10.547 65.880 75.855 1.00 64.19 ATOM 3112 N ASN F 103 13.685 61.431 72.830 1.00 39.70 ATOM 3114 CA ASN F 103 13.343 60.062 73.112 1.00 48.15 ATOM 3121 C ASN F 103 13.084 60.057 74.620 1.00 49.50 ATOM 3122 O ASN F 103 11.992 60.513 74.978 1.00 46.96 ATOM 3115 CB ASN F 103 14.502 59.134 72.579 1.00 51.21 ATOM 3116 CG ASN F 103 15.959 59.441 72.892 1.00 58.48 ATOM 3117 OD1 ASN F 103 16.754 58.563 73.266 1.00 62.14 ATOM 3118 ND2 ASN F 103 16.432 60.658 72.670 1.00 60.62 ATOM 3123 OXT ASN F 103 13.949 59.711 75.428 1.00 53.32 TER ASN F 103 ATOM 3153 N ALA G 1 47.731 72.738 73.153 1.00 21.90 ATOM 3155 CA ALA G 1 48.138 73.323 74.414 1.00 20.51 ATOM 3149 C ALA G 1 47.368 73.062 75.681 1.00 18.91 ATOM 3150 O ALA G 1 48.098 72.533 76.503 1.00 22.12 ATOM 3148 CB ALA G 1 48.219 74.755 74.237 1.00 27.07 ATOM 3156 N PRO G 2 46.079 73.273 76.022 1.00 14.18 ATOM 3158 CA PRO G 2 45.395 72.669 77.140 1.00 12.25 ATOM 3161 C PRO G 2 45.495 71.175 77.161 1.00 14.50 ATOM 3162 O PRO G 2 45.531 70.562 76.105 1.00 14.65 ATOM 3159 CB PRO G 2 43.972 73.064 77.013 1.00 12.51 ATOM 3160 CG PRO G 2 44.048 74.421 76.383 1.00 9.82 ATOM 3157 CD PRO G 2 45.147 74.187 75.399 1.00 11.59 ATOM 3163 N GLN G 3 45.506 70.562 78.343 1.00 16.94 ATOM 3165 CA GLN G 3 45.413 69.110 78.435 1.00 15.66 ATOM 3173 C GLN G 3 43.974 68.648 78.642 1.00 15.53 ATOM 3174 O GLN G 3 43.639 67.504 78.318 1.00 16.83 ATOM 3166 CB GLN G 3 46.176 68.534 79.599 1.00 15.77 ATOM 3167 CG GLN G 3 47.608 69.012 79.733 1.00 16.73 ATOM 3168 CD GLN G 3 48.599 68.464 78.739 1.00 15.50 ATOM 3169 OE1 GLN G 3 48.686 67.278 78.470 1.00 16.10 ATOM 3170 NE2 GLN G 3 49.461 69.264 78.173 1.00 15.28 ATOM 3175 N THR G 4 43.051 69.436 79.196 1.00 14.44 ATOM 3177 CA THR G 4 41.728 68.910 79.509 1.00 13.06 ATOM 3182 C THR G 4 40.734 70.004 79.252 1.00 11.98 ATOM 3183 O THR G 4 41.144 71.162 79.129 1.00 13.68 ATOM 3178 CB THR G 4 41.622 68.492 81.001 1.00 14.28 ATOM 3179 OG1 THR G 4 41.855 69.686 81.765 1.00 15.68 ATOM 3181 CG2 THR G 4 42.593 67.361 81.381 1.00 12.34 ATOM 3184 N ILE G 5 39.442 69.679 79.244 1.00 13.05 ATOM 3186 CA ILE G 5 38.390 70.660 79.087 1.00 10.46 ATOM 3191 C ILE G 5 38.382 71.663 80.241 1.00 15.21 ATOM 3192 O ILE G 5 38.067 72.842 80.038 1.00 17.35 ATOM 3187 CB ILE G 5 37.056 69.893 78.967 1.00 8.32 ATOM 3189 CG1 ILE G 5 35.975 70.898 78.568 1.00 8.78 ATOM 3188 CG2 ILE G 5 36.752 69.105 80.219 1.00 9.61 ATOM 3190 CD1 ILE G 5 34.602 70.278 78.341 1.00 5.34 ATOM 3193 N THR G 6 38.732 71.272 81.475 1.00 18.32 ATOM 3195 CA THR G 6 38.722 72.212 82.598 1.00 17.72 ATOM 3200 C THR G 6 39.891 73.117 82.486 1.00 13.16 ATOM 3201 O THR G 6 39.683 74.277 82.753 1.00 17.06 ATOM 3196 CB THR G 6 38.768 71.500 83.940 1.00 19.96 ATOM 3197 OG1 THR G 6 39.909 70.664 83.969 1.00 28.18 ATOM 3199 CG2 THR G 6 37.587 70.617 84.128 1.00 17.21 ATOM 3202 N GLU G 7 41.055 72.676 82.013 1.00 12.16 ATOM 3204 CA GLU G 7 42.134 73.619 81.782 1.00 15.75 ATOM 3210 C GLU G 7 41.747 74.609 80.655 1.00 19.08 ATOM 3211 O GLU G 7 42.039 75.819 80.674 1.00 18.84 ATOM 3205 CB GLU G 7 43.408 72.839 81.413 1.00 15.80 ATOM 3206 CG GLU G 7 44.575 73.786 81.172 1.00 17.91 ATOM 3207 CD GLU G 7 45.921 73.186 80.785 1.00 22.57 ATOM 3208 OE1 GLU G 7 46.084 71.968 80.937 1.00 23.67 ATOM 3209 OE2 GLU G 7 46.802 73.943 80.334 1.00 21.07 ATOM 3212 N LEU G 8 41.100 74.092 79.607 1.00 17.39 ATOM 3214 CA LEU G 8 40.679 74.930 78.519 1.00 15.92 ATOM 3219 C LEU G 8 39.631 75.924 79.007 1.00 14.88 ATOM 3220 O LEU G 8 39.715 77.122 78.748 1.00 15.87 ATOM 3215 CB LEU G 8 40.119 74.034 77.411 1.00 16.72 ATOM 3216 CG LEU G 8 39.787 74.693 76.062 1.00 17.81 ATOM 3217 CD1 LEU G 8 40.037 73.659 75.001 1.00 19.14 ATOM 3218 CD2 LEU G 8 38.344 75.143 75.959 1.00 16.28 ATOM 3221 N CYS G 9 38.625 75.491 79.746 1.00 15.75 ATOM 3223 CA CYS G 9 37.539 76.357 80.161 1.00 17.02 ATOM 3224 C CYS G 9 38.021 77.484 81.060 1.00 20.18 ATOM 3225 O CYS G 9 37.470 78.590 80.957 1.00 21.16 ATOM 3226 CB CYS G 9 36.494 75.516 80.847 1.00 15.98 ATOM 3227 SG CYS G 9 34.821 76.216 80.821 1.00 19.39 ATOM 3228 N SER G 10 39.078 77.231 81.867 1.00 22.50 ATOM 3230 CA SER G 10 39.860 78.191 82.682 1.00 22.68 ATOM 3234 C SER G 10 40.421 79.378 81.923 1.00 22.70 ATOM 3235 O SER G 10 40.706 80.403 82.544 1.00 22.88 ATOM 3231 CB SER G 10 41.128 77.601 83.293 1.00 23.76 ATOM 3232 OG SER G 10 40.834 76.652 84.283 1.00 33.22 ATOM 3236 N GLU G 11 40.693 79.273 80.620 1.00 22.40 ATOM 3238 CA GLU G 11 41.317 80.383 79.934 1.00 22.58 ATOM 3244 C GLU G 11 40.326 81.447 79.556 1.00 21.58 ATOM 3245 O GLU G 11 40.740 82.498 79.083 1.00 24.24 ATOM 3239 CB GLU G 11 41.944 80.028 78.632 1.00 27.48 ATOM 3240 CG GLU G 11 42.207 78.600 78.342 1.00 33.29 ATOM 3241 CD GLU G 11 43.658 78.297 78.393 1.00 36.68 ATOM 3242 OE1 GLU G 11 44.260 78.658 79.397 1.00 41.46 ATOM 3243 OE2 GLU G 11 44.162 77.713 77.440 1.00 34.07 ATOM 3246 N TYR G 12 39.022 81.241 79.692 1.00 21.50 ATOM 3248 CA TYR G 12 38.029 82.202 79.219 1.00 22.44 ATOM 3258 C TYR G 12 37.255 82.844 80.341 1.00 23.40 ATOM 3259 O TYR G 12 37.046 82.252 81.406 1.00 24.52 ATOM 3249 CB TYR G 12 37.046 81.481 78.227 1.00 22.87 ATOM 3250 CG TYR G 12 37.803 80.976 76.989 1.00 22.19 ATOM 3251 CD1 TYR G 12 38.028 81.861 75.958 1.00 22.45 ATOM 3253 CD2 TYR G 12 38.342 79.697 76.932 1.00 22.07 ATOM 3252 CE1 TYR G 12 38.796 81.476 74.886 1.00 23.34 ATOM 3254 CE2 TYR G 12 39.117 79.300 75.865 1.00 21.98 ATOM 3255 CZ TYR G 12 39.332 80.207 74.852 1.00 23.35 ATOM 3256 OH TYR G 12 40.099 79.879 73.755 1.00 25.71 ATOM 3260 N ARG G 13 36.831 84.085 80.142 1.00 25.85 ATOM 3262 CA ARG G 13 35.970 84.680 81.143 1.00 29.89 ATOM 3275 C ARG G 13 34.537 84.210 80.882 1.00 28.28 ATOM 3276 O ARG G 13 34.132 83.862 79.770 1.00 30.54 ATOM 3263 CB ARG G 13 36.005 86.221 81.092 1.00 34.31 ATOM 3264 CG ARG G 13 37.290 86.926 81.494 1.00 39.57 ATOM 3265 CD ARG G 13 36.976 88.080 82.468 1.00 47.61 ATOM 3266 NE ARG G 13 37.954 89.187 82.511 1.00 54.67 ATOM 3268 CZ ARG G 13 39.230 89.114 82.965 1.00 57.94 ATOM 3269 NH1 ARG G 13 39.780 87.984 83.440 1.00 59.89 ATOM 3272 NH2 ARG G 13 39.990 90.218 82.956 1.00 58.79 ATOM 3277 N ASN G 14 33.784 84.165 81.970 1.00 28.14 ATOM 3279 CA ASN G 14 32.373 83.849 81.992 1.00 27.90 ATOM 3286 C ASN G 14 31.993 82.460 81.598 1.00 24.42 ATOM 3287 O ASN G 14 30.917 82.222 81.048 1.00 26.69 ATOM 3280 CB ASN G 14 31.587 84.828 81.109 1.00 33.14 ATOM 3281 CG ASN G 14 31.634 86.239 81.688 1.00 38.17 ATOM 3282 OD1 ASN G 14 31.994 87.213 81.008 1.00 38.05 ATOM 3283 ND2 ASN G 14 31.279 86.408 82.969 1.00 40.18 ATOM 3288 N THR G 15 32.857 81.526 81.920 1.00 22.94 ATOM 3290 CA THR G 15 32.603 80.140 81.623 1.00 22.32 ATOM 3295 C THR G 15 32.360 79.408 82.905 1.00 22.38 ATOM 3296 O THR G 15 32.654 79.887 83.998 1.00 23.71 ATOM 3291 CB THR G 15 33.798 79.548 80.893 1.00 21.84 ATOM 3292 OG1 THR G 15 34.955 79.880 81.654 1.00 22.98 ATOM 3294 CG2 THR G 15 33.891 80.065 79.473 1.00 19.86 ATOM 3297 N GLN G 16 31.827 78.218 82.751 1.00 25.44 ATOM 3299 CA GLN G 16 31.506 77.266 83.804 1.00 25.21 ATOM 3307 C GLN G 16 31.637 75.859 83.215 1.00 23.15 ATOM 3308 O GLN G 16 31.375 75.711 82.024 1.00 20.76 ATOM 3300 CB GLN G 16 30.086 77.353 84.243 1.00 28.98 ATOM 3301 CG GLN G 16 29.740 78.273 85.360 1.00 36.06 ATOM 3302 CD GLN G 16 28.313 77.920 85.719 1.00 41.25 ATOM 3303 OE1 GLN G 16 28.008 76.829 86.209 1.00 44.19 ATOM 3304 NE2 GLN G 16 27.388 78.812 85.410 1.00 44.39 ATOM 3309 N ILE G 17 31.930 74.821 84.010 1.00 21.32 ATOM 3311 CA ILE G 17 32.005 73.449 83.550 1.00 21.67 ATOM 3316 C ILE G 17 30.717 72.889 84.114 1.00 23.22 ATOM 3317 O ILE G 17 30.448 73.136 85.285 1.00 26.06 ATOM 3312 CB ILE G 17 33.195 72.696 84.164 1.00 21.13 ATOM 3314 CG1 ILE G 17 34.476 73.021 83.458 1.00 22.17 ATOM 3313 CG2 ILE G 17 32.928 71.203 84.081 1.00 21.64 ATOM 3315 CD1 ILE G 17 34.461 72.438 82.020 1.00 24.94 ATOM 3318 N TYR G 18 29.918 72.193 83.327 1.00 22.93 ATOM 3320 CA TYR G 18 28.758 71.476 83.805 1.00 22.15 ATOM 3330 C TYR G 18 29.180 70.030 83.646 1.00 24.29 ATOM 3331 O TYR G 18 29.796 69.687 82.637 1.00 25.67 ATOM 3321 CB TYR G 18 27.558 71.713 82.933 1.00 23.55 ATOM 3322 CG TYR G 18 26.810 72.966 83.293 1.00 26.36 ATOM 3323 CD1 TYR G 18 27.364 74.196 83.054 1.00 25.00 ATOM 3325 CD2 TYR G 18 25.578 72.858 83.909 1.00 29.59 ATOM 3324 CE1 TYR G 18 26.685 75.329 83.436 1.00 27.72 ATOM 3326 CE2 TYR G 18 24.891 73.991 84.298 1.00 31.47 ATOM 3327 CZ TYR G 18 25.456 75.230 84.057 1.00 32.65 ATOM 3328 OH TYR G 18 24.800 76.397 84.462 1.00 36.76 ATOM 3332 N THR G 19 28.965 69.170 84.624 1.00 26.80 ATOM 3334 CA THR G 19 29.203 67.742 84.521 1.00 26.66 ATOM 3339 C THR G 19 27.798 67.202 84.323 1.00 29.06 ATOM 3340 O THR G 19 26.886 67.376 85.136 1.00 33.05 ATOM 3335 CB THR G 19 29.796 67.148 85.797 1.00 25.10 ATOM 3336 OG1 THR G 19 30.995 67.869 86.074 1.00 24.42 ATOM 3338 CG2 THR G 19 30.132 65.665 85.635 1.00 25.08 ATOM 3341 N ILE G 20 27.599 66.635 83.156 1.00 27.18 ATOM 3343 CA ILE G 20 26.313 66.166 82.738 1.00 24.73 ATOM 3348 C ILE G 20 26.216 64.688 83.029 1.00 24.27 ATOM 3349 O ILE G 20 25.270 64.264 83.683 1.00 26.47 ATOM 3344 CB ILE G 20 26.152 66.448 81.223 1.00 24.82 ATOM 3346 CG1 ILE G 20 26.319 67.899 80.887 1.00 25.74 ATOM 3345 CG2 ILE G 20 24.788 65.976 80.815 1.00 24.38 ATOM 3347 CD1 ILE G 20 25.351 68.799 81.685 1.00 30.39 ATOM 3350 N ASN G 21 27.174 63.930 82.496 1.00 24.05 ATOM 3352 CA ASN G 21 27.209 62.474 82.546 1.00 24.77 ATOM 3359 C ASN G 21 25.880 61.831 82.162 1.00 22.89 ATOM 3360 O ASN G 21 25.361 60.910 82.795 1.00 21.59 ATOM 3353 CB ASN G 21 27.653 62.006 83.945 1.00 29.79 ATOM 3354 CG ASN G 21 27.961 60.506 83.997 1.00 36.59 ATOM 3355 OD1 ASN G 21 27.606 59.804 84.940 1.00 40.25 ATOM 3356 ND2 ASN G 21 28.664 59.876 83.066 1.00 39.69 ATOM 3361 N ASP G 22 25.311 62.300 81.045 1.00 21.88 ATOM 3363 CA ASP G 22 24.108 61.720 80.500 1.00 20.25 ATOM 3368 C ASP G 22 24.053 62.009 79.001 1.00 20.32 ATOM 3369 O ASP G 22 24.817 62.812 78.442 1.00 19.92 ATOM 3364 CB ASP G 22 22.956 62.328 81.250 1.00 18.08 ATOM 3365 CG ASP G 22 21.613 61.597 81.096 1.00 19.08 ATOM 3366 OD1 ASP G 22 21.509 60.430 80.703 1.00 20.26 ATOM 3367 OD2 ASP G 22 20.603 62.209 81.393 1.00 20.84 ATOM 3370 N LYS G 23 23.168 61.306 78.329 1.00 19.14 ATOM 3372 CA LYS G 23 22.992 61.471 76.899 1.00 21.68 ATOM 3381 C LYS G 23 21.969 62.582 76.701 1.00 20.46 ATOM 3382 O LYS G 23 21.200 62.898 77.611 1.00 21.86 ATOM 3373 CB LYS G 23 22.504 60.144 76.308 1.00 21.99 ATOM 3374 CG LYS G 23 21.147 59.696 76.794 1.00 26.54 ATOM 3375 CD LYS G 23 20.659 58.460 76.062 1.00 32.85 ATOM 3376 CE LYS G 23 19.181 58.216 76.349 1.00 37.65 ATOM 3377 NZ LYS G 23 18.817 56.866 75.947 1.00 42.18 ATOM 3383 N ILE G 24 21.910 63.185 75.532 1.00 19.68 ATOM 3385 CA ILE G 24 20.978 64.260 75.228 1.00 14.82 ATOM 3390 C ILE G 24 19.555 63.736 75.247 1.00 16.34 ATOM 3391 O ILE G 24 19.289 62.668 74.667 1.00 18.60 ATOM 3386 CB ILE G 24 21.356 64.825 73.833 1.00 11.95 ATOM 3388 CG1 ILE G 24 22.780 65.375 73.870 1.00 10.70 ATOM 3387 CG2 ILE G 24 20.380 65.902 73.411 1.00 7.55 ATOM 3389 CD1 ILE G 24 23.367 65.781 72.458 1.00 11.65 ATOM 3392 N LEU G 25 18.627 64.468 75.880 1.00 16.53 ATOM 3394 CA LEU G 25 17.203 64.139 75.838 1.00 15.39 ATOM 3399 C LEU G 25 16.563 64.648 74.558 1.00 14.75 ATOM 3400 O LEU G 25 15.895 63.856 73.881 1.00 16.26 ATOM 3395 CB LEU G 25 16.447 64.739 77.057 1.00 14.33 ATOM 3396 CG LEU G 25 14.914 64.513 77.138 1.00 18.14 ATOM 3397 CD1 LEU G 25 14.614 63.022 77.300 1.00 19.55 ATOM 3398 CD2 LEU G 25 14.318 65.238 78.332 1.00 17.19 ATOM 3401 N SER G 26 16.721 65.931 74.198 1.00 15.13 ATOM 3403 CA SER G 26 16.158 66.444 72.956 1.00 14.66 ATOM 3407 C SER G 26 17.137 67.319 72.168 1.00 15.98 ATOM 3408 O SER G 26 18.020 67.986 72.736 1.00 17.38 ATOM 3404 CB SER G 26 14.946 67.283 73.201 1.00 14.02 ATOM 3405 OG SER G 26 15.336 68.506 73.782 1.00 17.53 ATOM 3409 N TYR G 27 16.908 67.386 70.861 1.00 16.42 ATOM 3411 CA TYR G 27 17.750 68.109 69.924 1.00 15.39 ATOM 3421 C TYR G 27 16.775 68.917 69.086 1.00 14.26 ATOM 3422 O TYR G 27 15.839 68.306 68.575 1.00 14.64 ATOM 3412 CB TYR G 27 18.527 67.045 69.112 1.00 14.42 ATOM 3413 CG TYR G 27 19.205 67.506 67.825 1.00 12.78 ATOM 3414 CD1 TYR G 27 18.467 67.545 66.642 1.00 13.15 ATOM 3416 CD2 TYR G 27 20.514 67.940 67.843 1.00 11.56 ATOM 3415 CE1 TYR G 27 19.026 68.033 65.471 1.00 13.07 ATOM 3417 CE2 TYR G 27 21.075 68.431 66.672 1.00 12.96 ATOM 3418 CZ TYR G 27 20.332 68.483 65.504 1.00 12.84 ATOM 3419 OH TYR G 27 20.873 69.055 64.371 1.00 13.35 ATOM 3423 N THR G 28 16.938 70.231 68.918 1.00 14.55 ATOM 3425 CA THR G 28 16.112 71.075 68.068 1.00 13.07 ATOM 3430 C THR G 28 17.091 71.743 67.150 1.00 13.16 ATOM 3431 O THR G 28 18.163 72.196 67.601 1.00 13.26 ATOM 3426 CB THR G 28 15.392 72.142 68.884 1.00 16.93 ATOM 3427 OG1 THR G 28 14.560 71.382 69.768 1.00 18.72 ATOM 3429 CG2 THR G 28 14.627 73.185 68.043 1.00 14.35 ATOM 3432 N GLU G 29 16.753 71.822 65.872 1.00 11.52 ATOM 3434 CA GLU G 29 17.649 72.445 64.918 1.00 10.03 ATOM 3440 C GLU G 29 16.826 73.465 64.160 1.00 11.23 ATOM 3441 O GLU G 29 15.717 73.127 63.734 1.00 13.80 ATOM 3435 CB GLU G 29 18.153 71.388 63.994 1.00 12.08 ATOM 3436 CG GLU G 29 19.146 71.866 62.960 1.00 10.93 ATOM 3437 CD GLU G 29 19.296 70.803 61.901 1.00 13.39 ATOM 3438 OE1 GLU G 29 19.529 69.642 62.223 1.00 12.90 ATOM 3439 OE2 GLU G 29 19.190 71.131 60.728 1.00 13.64 ATOM 3442 N SER G 30 17.276 74.694 63.981 1.00 12.24 ATOM 3444 CA SER G 30 16.492 75.709 63.305 1.00 12.17 ATOM 3448 C SER G 30 17.173 76.272 62.084 1.00 14.88 ATOM 3449 O SER G 30 18.360 76.589 62.161 1.00 15.89 ATOM 3445 CB SER G 30 16.256 76.831 64.254 1.00 15.11 ATOM 3446 OG SER G 30 15.749 78.018 63.659 1.00 15.40 ATOM 3450 N MET G 31 16.484 76.468 60.974 1.00 16.53 ATOM 3452 CA MET G 31 17.104 77.155 59.845 1.00 20.15 ATOM 3457 C MET G 31 16.405 78.500 59.604 1.00 22.51 ATOM 3458 O MET G 31 16.577 79.114 58.530 1.00 24.05 ATOM 3453 CB MET G 31 17.055 76.299 58.537 1.00 20.54 ATOM 3454 CG MET G 31 15.714 75.764 58.025 1.00 23.73 ATOM 3455 SD MET G 31 15.687 75.439 56.245 1.00 28.46 ATOM 3456 CE MET G 31 15.580 77.135 55.713 1.00 21.05 ATOM 3459 N ALA G 32 15.644 79.007 60.605 1.00 21.79 ATOM 3461 CA ALA G 32 14.939 80.279 60.474 1.00 17.49 ATOM 3463 C ALA G 32 15.943 81.409 60.529 1.00 17.25 ATOM 3464 O ALA G 32 16.970 81.369 61.207 1.00 20.59 ATOM 3462 CB ALA G 32 13.936 80.410 61.587 1.00 15.41 ATOM 3465 N GLY G 33 15.728 82.415 59.703 1.00 19.52 ATOM 3467 CA GLY G 33 16.635 83.542 59.560 1.00 17.65 ATOM 3468 C GLY G 33 16.812 84.256 60.889 1.00 19.45 ATOM 3469 O GLY G 33 15.853 84.594 61.586 1.00 18.14 ATOM 3470 N LYS G 34 18.102 84.368 61.215 1.00 20.23 ATOM 3472 CA LYS G 34 18.689 84.965 62.420 1.00 23.27 ATOM 3481 C LYS G 34 18.578 84.111 63.656 1.00 22.40 ATOM 3482 O LYS G 34 19.102 84.496 64.696 1.00 23.05 ATOM 3473 CB LYS G 34 18.087 86.343 62.719 1.00 25.54 ATOM 3474 CG LYS G 34 18.503 87.243 61.546 1.00 30.45 ATOM 3475 CD LYS G 34 17.986 88.671 61.570 1.00 37.58 ATOM 3476 CE LYS G 34 18.921 89.541 60.716 1.00 43.91 ATOM 3477 NZ LYS G 34 20.323 89.479 61.164 1.00 48.00 ATOM 3483 N ARG G 35 18.052 82.895 63.448 1.00 22.39 ATOM 3485 CA ARG G 35 17.794 81.896 64.466 1.00 21.67 ATOM 3498 C ARG G 35 18.389 80.578 63.977 1.00 20.94 ATOM 3499 O ARG G 35 17.839 79.504 64.221 1.00 22.45 ATOM 3486 CB ARG G 35 16.305 81.756 64.626 1.00 24.99 ATOM 3487 CG ARG G 35 15.778 82.009 65.992 1.00 31.80 ATOM 3488 CD ARG G 35 15.778 83.471 66.392 1.00 37.46 ATOM 3489 NE ARG G 35 16.679 83.755 67.509 1.00 43.29 ATOM 3491 CZ ARG G 35 16.409 84.643 68.504 1.00 46.70 ATOM 3492 NH1 ARG G 35 15.270 85.334 68.576 1.00 49.06 ATOM 3495 NH2 ARG G 35 17.350 84.954 69.411 1.00 46.57 ATOM 3500 N GLU G 36 19.526 80.591 63.287 1.00 18.81 ATOM 3502 CA GLU G 36 20.131 79.386 62.760 1.00 19.33 ATOM 3508 C GLU G 36 20.950 78.771 63.893 1.00 20.64 ATOM 3509 O GLU G 36 22.135 79.070 64.048 1.00 21.57 ATOM 3503 CB GLU G 36 21.051 79.716 61.560 1.00 21.19 ATOM 3504 CG GLU G 36 20.348 80.347 60.370 1.00 20.15 ATOM 3505 CD GLU G 36 20.350 81.858 60.399 1.00 22.37 ATOM 3506 OE1 GLU G 36 20.852 82.484 61.338 1.00 21.79 ATOM 3507 OE2 GLU G 36 19.860 82.430 59.438 1.00 26.58 ATOM 3510 N MET G 37 20.360 77.890 64.704 1.00 20.68 ATOM 3512 CA MET G 37 20.987 77.407 65.916 1.00 17.66 ATOM 3517 C MET G 37 20.579 75.998 66.157 1.00 15.14 ATOM 3518 O MET G 37 19.673 75.531 65.486 1.00 15.82 ATOM 3513 CB MET G 37 20.524 78.232 67.088 1.00 22.04 ATOM 3514 CG MET G 37 19.058 78.046 67.501 1.00 21.06 ATOM 3515 SD MET G 37 18.619 79.543 68.414 1.00 27.25 ATOM 3516 CE MET G 37 19.487 79.159 69.916 1.00 27.33 ATOM 3519 N VAL G 38 21.191 75.372 67.155 1.00 16.05 ATOM 3521 CA VAL G 38 20.883 74.032 67.634 1.00 16.32 ATOM 3525 C VAL G 38 20.613 74.219 69.121 1.00 16.71 ATOM 3526 O VAL G 38 21.381 74.936 69.774 1.00 14.81 ATOM 3522 CB VAL G 38 22.083 73.101 67.436 1.00 15.12 ATOM 3523 CG1 VAL G 38 22.027 71.842 68.293 1.00 13.66 ATOM 3524 CG2 VAL G 38 22.011 72.605 66.000 1.00 14.93 ATOM 3527 N ILE G 39 19.592 73.595 69.704 1.00 16.29 ATOM 3529 CA ILE G 39 19.327 73.713 71.133 1.00 18.13 ATOM 3534 C ILE G 39 19.319 72.283 71.665 1.00 17.53 ATOM 3535 O ILE G 39 18.606 71.442 71.089 1.00 17.31 ATOM 3530 CB ILE G 39 17.941 74.365 71.385 1.00 19.34 ATOM 3532 CG1 ILE G 39 17.837 75.744 70.780 1.00 19.09 ATOM 3531 CG2 ILE G 39 17.734 74.443 72.881 1.00 21.34 ATOM 3533 CD1 ILE G 39 16.386 76.197 70.461 1.00 18.27 ATOM 3536 N ILE G 40 20.066 71.911 72.695 1.00 15.15 ATOM 3538 CA ILE G 40 19.933 70.562 73.221 1.00 15.37 ATOM 3543 C ILE G 40 19.405 70.586 74.661 1.00 19.41 ATOM 3544 O ILE G 40 19.647 71.568 75.385 1.00 17.41 ATOM 3539 CB ILE G 40 21.277 69.818 73.202 1.00 13.90 ATOM 3541 CG1 ILE G 40 22.331 70.610 73.917 1.00 13.84 ATOM 3540 CG2 ILE G 40 21.685 69.554 71.767 1.00 11.75 ATOM 3542 CD1 ILE G 40 23.591 69.804 74.264 1.00 14.24 ATOM 3545 N THR G 41 18.625 69.604 75.128 1.00 21.18 ATOM 3547 CA THR G 41 18.323 69.544 76.558 1.00 22.47 ATOM 3552 C THR G 41 18.669 68.179 77.184 1.00 23.32 ATOM 3553 O THR G 41 18.902 67.167 76.482 1.00 25.36 ATOM 3548 CB THR G 41 16.835 69.840 76.843 1.00 21.67 ATOM 3549 OG1 THR G 41 16.116 68.726 76.354 1.00 23.78 ATOM 3551 CG2 THR G 41 16.335 71.124 76.206 1.00 18.81 ATOM 3554 N PHE G 42 18.718 68.158 78.518 1.00 20.08 ATOM 3556 CA PHE G 42 19.022 66.977 79.277 1.00 19.57 ATOM 3564 C PHE G 42 17.837 66.650 80.155 1.00 23.10 ATOM 3565 O PHE G 42 16.984 67.496 80.410 1.00 25.61 ATOM 3557 CB PHE G 42 20.254 67.218 80.127 1.00 16.21 ATOM 3558 CG PHE G 42 21.498 67.295 79.267 1.00 17.12 ATOM 3559 CD1 PHE G 42 22.051 66.140 78.761 1.00 17.07 ATOM 3560 CD2 PHE G 42 22.072 68.518 78.965 1.00 18.53 ATOM 3561 CE1 PHE G 42 23.179 66.216 77.955 1.00 17.36 ATOM 3562 CE2 PHE G 42 23.197 68.577 78.164 1.00 17.53 ATOM 3563 CZ PHE G 42 23.759 67.429 77.655 1.00 15.92 ATOM 3566 N LYS G 43 17.725 65.398 80.582 1.00 24.71 ATOM 3568 CA LYS G 43 16.726 64.921 81.527 1.00 27.09 ATOM 3577 C LYS G 43 16.759 65.748 82.803 1.00 28.32 ATOM 3578 O LYS G 43 15.741 66.155 83.328 1.00 30.46 ATOM 3569 CB LYS G 43 17.037 63.483 81.811 1.00 30.10 ATOM 3570 CG LYS G 43 16.138 62.756 82.774 1.00 36.15 ATOM 3571 CD LYS G 43 16.521 61.299 82.882 1.00 39.97 ATOM 3572 CE LYS G 43 17.984 61.164 83.313 1.00 43.99 ATOM 3573 NZ LYS G 43 18.320 59.764 83.430 1.00 47.33 ATOM 3579 N SER G 44 17.904 66.114 83.329 1.00 30.58 ATOM 3581 CA SER G 44 17.964 66.974 84.489 1.00 33.96 ATOM 3585 C SER G 44 17.351 68.361 84.292 1.00 35.12 ATOM 3586 O SER G 44 17.331 69.131 85.249 1.00 42.12 ATOM 3582 CB SER G 44 19.406 67.101 84.866 1.00 36.70 ATOM 3583 OG SER G 44 20.119 67.467 83.684 1.00 41.83 ATOM 3587 N GLY G 45 16.875 68.774 83.121 1.00 31.02 ATOM 3589 CA GLY G 45 16.272 70.076 82.942 1.00 29.27 ATOM 3590 C GLY G 45 17.174 71.131 82.321 1.00 30.89 ATOM 3591 O GLY G 45 16.625 72.152 81.873 1.00 33.93 ATOM 3592 N GLU G 46 18.516 70.979 82.265 1.00 26.48 ATOM 3594 CA GLU G 46 19.376 71.977 81.655 1.00 23.12 ATOM 3600 C GLU G 46 19.199 72.025 80.127 1.00 21.73 ATOM 3601 O GLU G 46 18.934 71.003 79.479 1.00 18.39 ATOM 3595 CB GLU G 46 20.793 71.669 82.000 1.00 26.88 ATOM 3596 CG GLU G 46 21.080 71.865 83.474 1.00 36.10 ATOM 3597 CD GLU G 46 21.979 70.758 84.044 1.00 44.07 ATOM 3598 OE1 GLU G 46 21.641 69.576 83.941 1.00 45.84 ATOM 3599 OE2 GLU G 46 23.040 71.055 84.596 1.00 49.22 ATOM 3602 N THR G 47 19.257 73.252 79.599 1.00 19.58 ATOM 3604 CA THR G 47 19.126 73.574 78.203 1.00 19.39 ATOM 3609 C THR G 47 20.348 74.357 77.788 1.00 20.10 ATOM 3610 O THR G 47 20.754 75.307 78.473 1.00 20.84 ATOM 3605 CB THR G 47 17.905 74.425 77.968 1.00 21.48 ATOM 3606 OG1 THR G 47 16.782 73.601 78.274 1.00 24.22 ATOM 3608 CG2 THR G 47 17.748 74.887 76.521 1.00 23.80 ATOM 3611 N PHE G 48 20.950 73.962 76.673 1.00 19.27 ATOM 3613 CA PHE G 48 22.116 74.660 76.135 1.00 17.00 ATOM 3621 C PHE G 48 21.888 74.970 74.662 1.00 14.91 ATOM 3622 O PHE G 48 21.033 74.333 74.029 1.00 15.97 ATOM 3614 CB PHE G 48 23.365 73.791 76.302 1.00 16.53 ATOM 3615 CG PHE G 48 23.582 73.425 77.769 1.00 15.84 ATOM 3616 CD1 PHE G 48 24.218 74.311 78.613 1.00 13.24 ATOM 3617 CD2 PHE G 48 23.138 72.210 78.235 1.00 15.01 ATOM 3618 CE1 PHE G 48 24.407 73.965 79.925 1.00 12.41 ATOM 3619 CE2 PHE G 48 23.336 71.880 79.553 1.00 15.27 ATOM 3620 CZ PHE G 48 23.969 72.754 80.397 1.00 12.45 ATOM 3623 N GLN G 49 22.596 75.963 74.123 1.00 11.95 ATOM 3625 CA GLN G 49 22.508 76.296 72.717 1.00 12.46 ATOM 3633 C GLN G 49 23.890 76.347 72.060 1.00 13.95 ATOM 3634 O GLN G 49 24.922 76.484 72.740 1.00 13.47 ATOM 3626 CB GLN G 49 21.869 77.668 72.507 1.00 13.52 ATOM 3627 CG GLN G 49 22.638 78.807 73.202 1.00 14.52 ATOM 3628 CD GLN G 49 22.248 80.218 72.787 1.00 16.67 ATOM 3629 OE1 GLN G 49 22.096 80.506 71.604 1.00 18.47 ATOM 3630 NE2 GLN G 49 22.094 81.166 73.698 1.00 16.23 ATOM 3635 N VAL G 50 24.005 76.206 70.739 1.00 15.19 ATOM 3637 CA VAL G 50 25.254 76.573 70.054 1.00 15.57 ATOM 3641 C VAL G 50 24.740 77.896 69.437 1.00 17.38 ATOM 3642 O VAL G 50 23.703 77.915 68.759 1.00 17.06 ATOM 3638 CB VAL G 50 25.677 75.585 68.927 1.00 12.30 ATOM 3639 CG1 VAL G 50 26.887 76.170 68.284 1.00 10.02 ATOM 3640 CG2 VAL G 50 26.044 74.197 69.412 1.00 10.49 ATOM 3643 N GLU G 51 25.352 79.039 69.729 1.00 18.04 ATOM 3645 CA GLU G 51 24.833 80.301 69.250 1.00 20.11 ATOM 3651 C GLU G 51 24.939 80.483 67.754 1.00 20.26 ATOM 3652 O GLU G 51 25.875 80.025 67.106 1.00 19.16 ATOM 3646 CB GLU G 51 25.568 81.460 69.864 1.00 19.96 ATOM 3647 CG GLU G 51 25.349 81.540 71.342 1.00 22.37 ATOM 3648 CD GLU G 51 26.277 82.596 71.889 1.00 25.17 ATOM 3649 OE1 GLU G 51 27.442 82.341 72.191 1.00 23.54 ATOM 3650 OE2 GLU G 51 25.814 83.715 71.972 1.00 30.00 ATOM 3653 N VAL G 52 24.060 81.357 67.282 1.00 22.12 ATOM 3655 CA VAL G 52 24.062 81.828 65.894 1.00 23.27 ATOM 3659 C VAL G 52 25.431 82.528 65.657 1.00 24.71 ATOM 3660 O VAL G 52 25.892 83.217 66.582 1.00 24.08 ATOM 3656 CB VAL G 52 22.833 82.783 65.762 1.00 20.64 ATOM 3657 CG1 VAL G 52 22.723 83.374 64.390 1.00 21.47 ATOM 3658 CG2 VAL G 52 21.556 81.979 66.028 1.00 18.86 ATOM 3661 N PRO G 53 26.199 82.383 64.555 1.00 26.97 ATOM 3663 CA PRO G 53 27.436 83.128 64.302 1.00 27.33 ATOM 3666 C PRO G 53 27.119 84.604 64.292 1.00 29.38 ATOM 3667 O PRO G 53 26.265 85.021 63.516 1.00 30.79 ATOM 3664 CB PRO G 53 27.936 82.660 62.964 1.00 26.35 ATOM 3665 CG PRO G 53 27.304 81.297 62.848 1.00 27.64 ATOM 3662 CD PRO G 53 25.915 81.488 63.432 1.00 26.45 ATOM 3668 N GLY G 54 27.663 85.380 65.213 1.00 32.10 ATOM 3670 CA GLY G 54 27.507 86.819 65.173 1.00 35.68 ATOM 3671 C GLY G 54 28.865 87.515 65.161 1.00 38.65 ATOM 3672 O GLY G 54 29.926 86.951 64.838 1.00 37.75 ATOM 3673 N SER G 55 28.821 88.750 65.652 1.00 42.82 ATOM 3675 CA SER G 55 29.987 89.632 65.705 1.00 45.61 ATOM 3679 C SER G 55 31.084 89.183 66.687 1.00 44.61 ATOM 3680 O SER G 55 32.287 89.354 66.444 1.00 45.16 ATOM 3676 CB SER G 55 29.461 91.057 66.041 1.00 47.25 ATOM 3677 OG SER G 55 28.264 91.044 66.835 1.00 50.41 ATOM 3681 N GLN G 56 30.646 88.554 67.793 1.00 41.87 ATOM 3683 CA GLN G 56 31.531 88.084 68.840 1.00 38.90 ATOM 3691 C GLN G 56 32.415 86.925 68.400 1.00 38.70 ATOM 3692 O GLN G 56 33.354 86.553 69.106 1.00 40.35 ATOM 3684 CB GLN G 56 30.707 87.647 70.070 1.00 36.71 ATOM 3685 CG GLN G 56 29.960 86.308 70.035 1.00 31.88 ATOM 3686 CD GLN G 56 28.584 86.325 69.417 1.00 31.15 ATOM 3687 OE1 GLN G 56 28.317 87.063 68.477 1.00 30.63 ATOM 3688 NE2 GLN G 56 27.672 85.496 69.874 1.00 30.92 ATOM 3693 N HIS G 57 32.125 86.279 67.271 1.00 36.10 ATOM 3695 CA HIS G 57 32.898 85.119 66.912 1.00 33.09 ATOM 3704 C HIS G 57 33.988 85.584 65.997 1.00 35.38 ATOM 3705 O HIS G 57 33.711 86.431 65.151 1.00 41.15 ATOM 3696 CB HIS G 57 32.025 84.100 66.212 1.00 30.24 ATOM 3697 CG HIS G 57 30.993 83.482 67.164 1.00 29.23 ATOM 3699 ND1 HIS G 57 29.651 83.685 67.023 1.00 27.15 ATOM 3698 CD2 HIS G 57 31.135 82.668 68.215 1.00 29.36 ATOM 3701 CE1 HIS G 57 29.057 82.995 67.955 1.00 28.19 ATOM 3702 NE2 HIS G 57 29.940 82.369 68.690 1.00 28.28 ATOM 3706 N ILE G 58 35.229 85.156 66.175 1.00 33.62 ATOM 3708 CA ILE G 58 36.240 85.480 65.184 1.00 34.71 ATOM 3713 C ILE G 58 36.133 84.452 64.062 1.00 34.87 ATOM 3714 O ILE G 58 35.414 83.436 64.149 1.00 34.09 ATOM 3709 CB ILE G 58 37.663 85.459 65.770 1.00 34.22 ATOM 3711 CG1 ILE G 58 37.997 84.158 66.516 1.00 33.96 ATOM 3710 CG2 ILE G 58 37.745 86.732 66.591 1.00 33.43 ATOM 3712 CD1 ILE G 58 39.352 84.074 67.252 1.00 32.79 ATOM 3715 N ASP G 59 36.911 84.667 63.017 1.00 33.55 ATOM 3717 CA ASP G 59 36.700 83.844 61.859 1.00 36.81 ATOM 3722 C ASP G 59 37.075 82.398 61.955 1.00 33.08 ATOM 3723 O ASP G 59 36.420 81.576 61.311 1.00 31.90 ATOM 3718 CB ASP G 59 37.392 84.485 60.664 1.00 46.48 ATOM 3719 CG ASP G 59 36.539 85.666 60.168 1.00 54.77 ATOM 3720 OD1 ASP G 59 35.463 85.468 59.570 1.00 58.03 ATOM 3721 OD2 ASP G 59 36.943 86.801 60.425 1.00 58.49 ATOM 3724 N SER G 60 38.038 82.071 62.821 1.00 30.17 ATOM 3726 CA SER G 60 38.444 80.683 63.063 1.00 24.53 ATOM 3730 C SER G 60 37.325 79.833 63.656 1.00 20.97 ATOM 3731 O SER G 60 37.219 78.621 63.445 1.00 21.63 ATOM 3727 CB SER G 60 39.652 80.725 63.982 1.00 25.14 ATOM 3728 OG SER G 60 39.547 81.713 65.026 1.00 26.69 ATOM 3732 N GLN G 61 36.430 80.529 64.351 1.00 18.45 ATOM 3734 CA GLN G 61 35.323 79.912 64.992 1.00 21.37 ATOM 3742 C GLN G 61 34.214 79.542 64.054 1.00 24.62 ATOM 3743 O GLN G 61 33.402 78.670 64.390 1.00 24.30 ATOM 3735 CB GLN G 61 34.778 80.825 66.029 1.00 23.24 ATOM 3736 CG GLN G 61 35.637 80.867 67.259 1.00 22.21 ATOM 3737 CD GLN G 61 34.911 81.714 68.254 1.00 23.45 ATOM 3738 OE1 GLN G 61 34.836 82.922 68.072 1.00 24.48 ATOM 3739 NE2 GLN G 61 34.286 81.163 69.273 1.00 22.31 ATOM 3744 N LYS G 62 34.155 80.161 62.872 1.00 27.10 ATOM 3746 CA LYS G 62 33.082 79.855 61.931 1.00 27.87 ATOM 3755 C LYS G 62 33.006 78.379 61.562 1.00 25.74 ATOM 3756 O LYS G 62 31.914 77.802 61.579 1.00 23.40 ATOM 3747 CB LYS G 62 33.250 80.684 60.668 1.00 31.68 ATOM 3748 CG LYS G 62 33.126 82.190 60.965 1.00 37.15 ATOM 3749 CD LYS G 62 31.831 82.682 61.631 1.00 39.75 ATOM 3750 CE LYS G 62 32.092 84.149 62.042 1.00 43.40 ATOM 3751 NZ LYS G 62 30.895 84.923 62.345 1.00 43.01 ATOM 3757 N LYS G 63 34.128 77.727 61.286 1.00 23.51 ATOM 3759 CA LYS G 63 34.105 76.301 61.005 1.00 23.61 ATOM 3768 C LYS G 63 33.803 75.507 62.261 1.00 19.96 ATOM 3769 O LYS G 63 33.022 74.539 62.261 1.00 20.73 ATOM 3760 CB LYS G 63 35.441 75.851 60.439 1.00 28.12 ATOM 3761 CG LYS G 63 35.424 76.129 58.947 1.00 36.76 ATOM 3762 CD LYS G 63 36.545 75.504 58.089 1.00 43.51 ATOM 3763 CE LYS G 63 37.936 76.149 58.242 1.00 48.58 ATOM 3764 NZ LYS G 63 38.885 75.607 57.269 1.00 52.39 ATOM 3770 N ALA G 64 34.355 75.979 63.376 1.00 16.30 ATOM 3772 CA ALA G 64 34.175 75.280 64.645 1.00 16.63 ATOM 3774 C ALA G 64 32.710 75.202 65.087 1.00 15.15 ATOM 3775 O ALA G 64 32.279 74.160 65.616 1.00 14.08 ATOM 3773 CB ALA G 64 34.977 75.966 65.758 1.00 13.95 ATOM 3776 N ILE G 65 31.935 76.263 64.770 1.00 13.12 ATOM 3778 CA ILE G 65 30.522 76.339 65.134 1.00 14.72 ATOM 3783 C ILE G 65 29.775 75.274 64.364 1.00 15.10 ATOM 3784 O ILE G 65 28.923 74.601 64.938 1.00 15.92 ATOM 3779 CB ILE G 65 29.974 77.756 64.821 1.00 15.58 ATOM 3781 CG1 ILE G 65 30.591 78.735 65.822 1.00 15.62 ATOM 3780 CG2 ILE G 65 28.444 77.795 64.908 1.00 13.42 ATOM 3782 CD1 ILE G 65 30.446 80.225 65.484 1.00 17.43 ATOM 3785 N GLU G 66 30.112 75.062 63.093 1.00 14.41 ATOM 3787 CA GLU G 66 29.430 74.055 62.297 1.00 12.97 ATOM 3793 C GLU G 66 29.792 72.651 62.741 1.00 9.73 ATOM 3794 O GLU G 66 28.927 71.775 62.793 1.00 12.08 ATOM 3788 CB GLU G 66 29.795 74.228 60.831 1.00 15.88 ATOM 3789 CG GLU G 66 29.321 75.543 60.230 1.00 19.30 ATOM 3790 CD GLU G 66 27.842 75.818 60.525 1.00 22.97 ATOM 3791 OE1 GLU G 66 26.979 75.022 60.130 1.00 25.13 ATOM 3792 OE2 GLU G 66 27.555 76.832 61.164 1.00 24.11 ATOM 3795 N ARG G 67 31.050 72.420 63.099 1.00 7.88 ATOM 3797 CA ARG G 67 31.460 71.123 63.584 1.00 7.20 ATOM 3810 C ARG G 67 30.735 70.773 64.862 1.00 8.10 ATOM 3811 O ARG G 67 30.300 69.633 65.043 1.00 10.21 ATOM 3798 CB ARG G 67 32.974 71.136 63.826 1.00 10.44 ATOM 3799 CG ARG G 67 33.505 69.833 64.499 1.00 10.53 ATOM 3800 CD ARG G 67 35.029 69.747 64.679 1.00 7.15 ATOM 3801 NE ARG G 67 35.706 69.933 63.412 1.00 6.21 ATOM 3803 CZ ARG G 67 35.802 68.950 62.494 1.00 7.23 ATOM 3804 NH1 ARG G 67 35.292 67.736 62.675 1.00 5.40 ATOM 3807 NH2 ARG G 67 36.411 69.194 61.348 1.00 9.79 ATOM 3812 N MET G 68 30.602 71.735 65.783 1.00 10.66 ATOM 3814 CA MET G 68 29.937 71.494 67.069 1.00 10.90 ATOM 3819 C MET G 68 28.495 71.110 66.867 1.00 8.08 ATOM 3820 O MET G 68 28.023 70.116 67.417 1.00 13.49 ATOM 3815 CB MET G 68 30.000 72.725 67.950 1.00 10.37 ATOM 3816 CG MET G 68 29.402 72.501 69.339 1.00 11.96 ATOM 3817 SD MET G 68 30.234 71.204 70.298 1.00 19.29 ATOM 3818 CE MET G 68 31.705 72.097 70.768 1.00 10.95 ATOM 3821 N LYS G 69 27.759 71.800 66.028 1.00 8.52 ATOM 3823 CA LYS G 69 26.391 71.416 65.698 1.00 8.78 ATOM 3832 C LYS G 69 26.447 69.993 65.063 1.00 11.52 ATOM 3833 O LYS G 69 25.542 69.171 65.273 1.00 12.48 ATOM 3824 CB LYS G 69 25.773 72.493 64.713 1.00 7.80 ATOM 3825 CG LYS G 69 25.436 73.970 65.161 1.00 9.96 ATOM 3826 CD LYS G 69 24.768 74.810 64.050 1.00 14.94 ATOM 3827 CE LYS G 69 25.255 76.223 63.517 1.00 20.87 ATOM 3828 NZ LYS G 69 24.746 77.402 64.287 1.00 25.89 ATOM 3834 N ASP G 70 27.480 69.606 64.281 1.00 11.74 ATOM 3836 CA ASP G 70 27.554 68.252 63.750 1.00 13.58 ATOM 3841 C ASP G 70 27.759 67.266 64.864 1.00 16.41 ATOM 3842 O ASP G 70 27.097 66.227 64.859 1.00 17.92 ATOM 3837 CB ASP G 70 28.713 68.014 62.783 1.00 15.97 ATOM 3838 CG ASP G 70 28.549 68.636 61.393 1.00 17.64 ATOM 3839 OD1 ASP G 70 27.558 69.333 61.150 1.00 18.36 ATOM 3840 OD2 ASP G 70 29.407 68.407 60.542 1.00 17.88 ATOM 3843 N THR G 71 28.609 67.602 65.837 1.00 14.55 ATOM 3845 CA THR G 71 28.866 66.673 66.916 1.00 13.57 ATOM 3850 C THR G 71 27.622 66.426 67.722 1.00 14.05 ATOM 3851 O THR G 71 27.307 65.294 68.067 1.00 14.27 ATOM 3846 CB THR G 71 29.952 67.220 67.806 1.00 12.77 ATOM 3847 OG1 THR G 71 31.068 67.214 66.949 1.00 10.06 ATOM 3849 CG2 THR G 71 30.281 66.415 69.074 1.00 14.63 ATOM 3852 N LEU G 72 26.844 67.467 67.945 1.00 15.55 ATOM 3854 CA LEU G 72 25.644 67.324 68.750 1.00 15.32 ATOM 3859 C LEU G 72 24.525 66.546 68.090 1.00 15.27 ATOM 3860 O LEU G 72 23.832 65.815 68.810 1.00 15.19 ATOM 3855 CB LEU G 72 25.161 68.737 69.183 1.00 13.13 ATOM 3856 CG LEU G 72 26.141 69.543 70.065 1.00 12.22 ATOM 3857 CD1 LEU G 72 25.415 70.783 70.480 1.00 12.55 ATOM 3858 CD2 LEU G 72 26.561 68.823 71.366 1.00 12.73 ATOM 3861 N ARG G 73 24.327 66.652 66.762 1.00 14.55 ATOM 3863 CA ARG G 73 23.369 65.810 66.039 1.00 11.69 ATOM 3876 C ARG G 73 23.777 64.330 66.136 1.00 12.53 ATOM 3877 O ARG G 73 22.939 63.495 66.472 1.00 12.80 ATOM 3864 CB ARG G 73 23.309 66.187 64.542 1.00 10.40 ATOM 3865 CG ARG G 73 22.298 65.373 63.730 1.00 10.22 ATOM 3866 CD ARG G 73 22.924 65.079 62.360 1.00 13.61 ATOM 3867 NE ARG G 73 22.667 66.170 61.502 1.00 13.77 ATOM 3869 CZ ARG G 73 23.522 66.855 60.763 1.00 14.29 ATOM 3870 NH1 ARG G 73 24.834 66.651 60.686 1.00 11.68 ATOM 3873 NH2 ARG G 73 22.948 67.804 60.040 1.00 14.79 ATOM 3878 N ILE G 74 25.041 63.944 65.875 1.00 12.47 ATOM 3880 CA ILE G 74 25.424 62.546 65.904 1.00 11.86 ATOM 3885 C ILE G 74 25.560 62.005 67.346 1.00 14.32 ATOM 3886 O ILE G 74 25.294 60.810 67.553 1.00 13.70 ATOM 3881 CB ILE G 74 26.742 62.400 65.011 1.00 10.44 ATOM 3883 CG1 ILE G 74 27.002 60.919 64.818 1.00 14.72 ATOM 3882 CG2 ILE G 74 27.988 63.051 65.610 1.00 7.56 ATOM 3884 CD1 ILE G 74 25.871 60.216 64.039 1.00 17.79 ATOM 3887 N THR G 75 25.948 62.785 68.369 1.00 13.84 ATOM 3889 CA THR G 75 25.935 62.379 69.752 1.00 9.96 ATOM 3894 C THR G 75 24.500 62.045 70.124 1.00 12.08 ATOM 3895 O THR G 75 24.267 60.964 70.680 1.00 13.89 ATOM 3890 CB THR G 75 26.505 63.519 70.573 1.00 11.45 ATOM 3891 OG1 THR G 75 27.888 63.481 70.236 1.00 11.70 ATOM 3893 CG2 THR G 75 26.394 63.391 72.085 1.00 12.97 ATOM 3896 N TYR G 76 23.514 62.856 69.763 1.00 11.83 ATOM 3898 CA TYR G 76 22.108 62.540 70.033 1.00 12.38 ATOM 3908 C TYR G 76 21.694 61.234 69.393 1.00 15.02 ATOM 3909 O TYR G 76 21.120 60.369 70.056 1.00 15.67 ATOM 3899 CB TYR G 76 21.154 63.615 69.484 1.00 12.57 ATOM 3900 CG TYR G 76 19.684 63.233 69.559 1.00 11.63 ATOM 3901 CD1 TYR G 76 19.057 63.158 70.779 1.00 13.10 ATOM 3903 CD2 TYR G 76 19.005 62.922 68.413 1.00 11.26 ATOM 3902 CE1 TYR G 76 17.744 62.759 70.847 1.00 14.06 ATOM 3904 CE2 TYR G 76 17.691 62.521 68.464 1.00 11.46 ATOM 3905 CZ TYR G 76 17.079 62.440 69.686 1.00 13.42 ATOM 3906 OH TYR G 76 15.787 61.984 69.786 1.00 16.88 ATOM 3910 N LEU G 77 21.934 61.098 68.092 1.00 14.24 ATOM 3912 CA LEU G 77 21.498 59.913 67.377 1.00 14.64 ATOM 3917 C LEU G 77 22.199 58.632 67.815 1.00 16.14 ATOM 3918 O LEU G 77 21.565 57.578 67.748 1.00 16.60 ATOM 3913 CB LEU G 77 21.701 60.130 65.877 1.00 16.16 ATOM 3914 CG LEU G 77 20.872 61.210 65.179 1.00 18.04 ATOM 3915 CD1 LEU G 77 21.410 61.344 63.752 1.00 20.49 ATOM 3916 CD2 LEU G 77 19.394 60.863 65.138 1.00 14.12 ATOM 3919 N THR G 78 23.472 58.635 68.284 1.00 18.45 ATOM 3921 CA THR G 78 24.140 57.420 68.749 1.00 16.02 ATOM 3926 C THR G 78 23.862 57.154 70.236 1.00 17.01 ATOM 3927 O THR G 78 24.247 56.110 70.774 1.00 14.38 ATOM 3922 CB THR G 78 25.670 57.530 68.482 1.00 13.27 ATOM 3923 OG1 THR G 78 26.168 58.717 69.098 1.00 12.98 ATOM 3925 CG2 THR G 78 25.955 57.604 66.993 1.00 12.12 ATOM 3928 N GLU G 79 23.131 58.090 70.877 1.00 17.62 ATOM 3930 CA GLU G 79 22.769 58.088 72.275 1.00 18.82 ATOM 3936 C GLU G 79 24.062 58.034 73.088 1.00 18.90 ATOM 3937 O GLU G 79 24.217 57.306 74.066 1.00 19.42 ATOM 3931 CB GLU G 79 21.853 56.872 72.602 1.00 22.49 ATOM 3932 CG GLU G 79 20.569 56.749 71.767 1.00 25.61 ATOM 3933 CD GLU G 79 19.535 55.742 72.279 1.00 26.49 ATOM 3934 OE1 GLU G 79 18.726 56.117 73.135 1.00 28.33 ATOM 3935 OE2 GLU G 79 19.518 54.601 71.810 1.00 26.03 ATOM 3938 N THR G 80 25.045 58.814 72.684 1.00 17.84 ATOM 3940 CA THR G 80 26.300 58.815 73.383 1.00 20.06 ATOM 3945 C THR G 80 26.232 59.735 74.610 1.00 22.84 ATOM 3946 O THR G 80 25.595 60.807 74.603 1.00 23.43 ATOM 3941 CB THR G 80 27.374 59.231 72.331 1.00 19.77 ATOM 3942 OG1 THR G 80 27.538 58.095 71.472 1.00 22.66 ATOM 3944 CG2 THR G 80 28.706 59.612 72.923 1.00 18.29 ATOM 3947 N LYS G 81 26.891 59.307 75.690 1.00 22.58 ATOM 3949 CA LYS G 81 26.939 60.107 76.895 1.00 22.61 ATOM 3958 C LYS G 81 27.988 61.180 76.818 1.00 17.23 ATOM 3959 O LYS G 81 29.164 60.974 76.494 1.00 17.73 ATOM 3950 CB LYS G 81 27.270 59.307 78.162 1.00 27.63 ATOM 3951 CG LYS G 81 26.111 58.601 78.842 1.00 34.71 ATOM 3952 CD LYS G 81 26.667 58.160 80.201 1.00 40.96 ATOM 3953 CE LYS G 81 25.665 57.305 80.979 1.00 45.97 ATOM 3954 NZ LYS G 81 26.195 56.944 82.294 1.00 49.04 ATOM 3960 N ILE G 82 27.495 62.323 77.247 1.00 16.36 ATOM 3962 CA ILE G 82 28.344 63.484 77.402 1.00 17.58 ATOM 3967 C ILE G 82 28.888 63.547 78.846 1.00 16.74 ATOM 3968 O ILE G 82 28.203 63.292 79.841 1.00 14.08 ATOM 3963 CB ILE G 82 27.501 64.716 77.014 1.00 16.04 ATOM 3965 CG1 ILE G 82 27.087 64.571 75.562 1.00 14.43 ATOM 3964 CG2 ILE G 82 28.297 66.002 77.255 1.00 14.27 ATOM 3966 CD1 ILE G 82 26.412 65.824 75.020 1.00 17.49 ATOM 3969 N ASP G 83 30.175 63.802 78.984 1.00 16.66 ATOM 3971 CA ASP G 83 30.793 63.927 80.286 1.00 17.24 ATOM 3976 C ASP G 83 30.599 65.346 80.819 1.00 17.24 ATOM 3977 O ASP G 83 29.694 65.536 81.636 1.00 16.35 ATOM 3972 CB ASP G 83 32.274 63.569 80.155 1.00 18.36 ATOM 3973 CG ASP G 83 32.981 63.435 81.487 1.00 21.35 ATOM 3974 OD1 ASP G 83 32.367 62.940 82.426 1.00 25.37 ATOM 3975 OD2 ASP G 83 34.145 63.806 81.579 1.00 21.73 ATOM 3978 N LYS G 84 31.348 66.331 80.314 1.00 14.10 ATOM 3980 CA LYS G 84 31.308 67.718 80.744 1.00 15.35 ATOM 3989 C LYS G 84 30.982 68.683 79.628 1.00 15.56 ATOM 3990 O LYS G 84 31.272 68.313 78.500 1.00 17.35 ATOM 3981 CB LYS G 84 32.634 68.160 81.254 1.00 14.42 ATOM 3982 CG LYS G 84 32.940 67.500 82.535 1.00 16.84 ATOM 3983 CD LYS G 84 34.262 68.058 82.896 1.00 21.20 ATOM 3984 CE LYS G 84 34.629 67.488 84.256 1.00 28.57 ATOM 3985 NZ LYS G 84 34.806 66.044 84.202 1.00 34.28 ATOM 3991 N LEU G 85 30.499 69.913 79.861 1.00 16.92 ATOM 3993 CA LEU G 85 30.309 70.954 78.840 1.00 14.58 ATOM 3998 C LEU G 85 30.999 72.146 79.426 1.00 16.79 ATOM 3999 O LEU G 85 30.904 72.374 80.634 1.00 20.79 ATOM 3994 CB LEU G 85 28.884 71.384 78.656 1.00 12.31 ATOM 3995 CG LEU G 85 28.023 70.387 77.977 1.00 14.12 ATOM 3996 CD1 LEU G 85 26.599 70.679 78.262 1.00 17.57 ATOM 3997 CD2 LEU G 85 28.224 70.475 76.488 1.00 15.91 ATOM 4000 N CYS G 86 31.757 72.887 78.668 1.00 16.50 ATOM 4002 CA CYS G 86 32.301 74.145 79.152 1.00 15.38 ATOM 4003 C CYS G 86 31.338 75.108 78.483 1.00 14.49 ATOM 4004 O CYS G 86 31.137 75.002 77.257 1.00 13.96 ATOM 4005 CB CYS G 86 33.716 74.370 78.631 1.00 16.24 ATOM 4006 SG CYS G 86 34.340 76.065 78.851 1.00 19.59 ATOM 4007 N VAL G 87 30.689 76.004 79.237 1.00 15.06 ATOM 4009 CA VAL G 87 29.711 76.932 78.697 1.00 14.35 ATOM 4013 C VAL G 87 29.928 78.387 79.088 1.00 17.36 ATOM 4014 O VAL G 87 30.504 78.658 80.139 1.00 19.11 ATOM 4010 CB VAL G 87 28.260 76.531 79.117 1.00 12.84 ATOM 4011 CG1 VAL G 87 28.009 75.077 78.712 1.00 14.12 ATOM 4012 CG2 VAL G 87 28.033 76.717 80.589 1.00 14.28 ATOM 4015 N TRP G 88 29.528 79.336 78.246 1.00 16.97 ATOM 4017 CA TRP G 88 29.460 80.741 78.576 1.00 16.98 ATOM 4029 C TRP G 88 28.139 80.968 79.307 1.00 18.59 ATOM 4030 O TRP G 88 27.050 80.733 78.780 1.00 16.94 ATOM 4018 CB TRP G 88 29.490 81.552 77.326 1.00 15.28 ATOM 4019 CG TRP G 88 30.882 81.622 76.761 1.00 14.44 ATOM 4023 CD1 TRP G 88 31.848 82.349 77.393 1.00 16.35 ATOM 4020 CD2 TRP G 88 31.316 81.045 75.599 1.00 15.21 ATOM 4024 NE1 TRP G 88 32.914 82.248 76.618 1.00 18.50 ATOM 4021 CE2 TRP G 88 32.638 81.484 75.542 1.00 16.87 ATOM 4022 CE3 TRP G 88 30.779 80.262 74.597 1.00 14.00 ATOM 4026 CZ2 TRP G 88 33.442 81.122 74.476 1.00 16.70 ATOM 4027 CZ3 TRP G 88 31.572 79.906 73.527 1.00 14.49 ATOM 4028 CH2 TRP G 88 32.893 80.336 73.464 1.00 15.97 ATOM 4031 N ASN G 89 28.194 81.400 80.564 1.00 21.56 ATOM 4033 CA ASN G 89 26.998 81.563 81.401 1.00 24.52 ATOM 4040 C ASN G 89 26.372 82.948 81.336 1.00 25.35 ATOM 4041 O ASN G 89 25.434 83.296 82.060 1.00 28.09 ATOM 4034 CB ASN G 89 27.313 81.276 82.864 1.00 26.06 ATOM 4035 CG ASN G 89 28.449 82.132 83.401 1.00 28.23 ATOM 4036 OD1 ASN G 89 28.884 83.136 82.843 1.00 28.03 ATOM 4037 ND2 ASN G 89 29.056 81.759 84.505 1.00 32.27 ATOM 4042 N ASN G 90 26.928 83.767 80.458 1.00 25.01 ATOM 4044 CA ASN G 90 26.439 85.100 80.161 1.00 28.09 ATOM 4051 C ASN G 90 25.456 85.112 78.973 1.00 28.66 ATOM 4052 O ASN G 90 25.254 86.153 78.343 1.00 29.06 ATOM 4045 CB ASN G 90 27.645 86.031 79.862 1.00 30.24 ATOM 4046 CG ASN G 90 28.504 85.711 78.633 1.00 32.15 ATOM 4047 OD1 ASN G 90 28.299 84.735 77.917 1.00 35.50 ATOM 4048 ND2 ASN G 90 29.567 86.430 78.340 1.00 32.19 ATOM 4053 N LYS G 91 24.775 84.020 78.633 1.00 30.56 ATOM 4055 CA LYS G 91 23.897 83.929 77.467 1.00 28.90 ATOM 4064 C LYS G 91 22.744 83.052 77.922 1.00 26.91 ATOM 4065 O LYS G 91 22.992 82.206 78.783 1.00 26.31 ATOM 4056 CB LYS G 91 24.640 83.268 76.305 1.00 25.94 ATOM 4057 CG LYS G 91 24.671 84.159 75.083 1.00 27.30 ATOM 4058 CD LYS G 91 25.716 85.254 75.251 1.00 28.39 ATOM 4059 CE LYS G 91 25.824 86.263 74.130 1.00 27.07 ATOM 4060 NZ LYS G 91 27.180 86.245 73.632 1.00 25.83 ATOM 4066 N THR G 92 21.509 83.213 77.453 1.00 26.68 ATOM 4068 CA THR G 92 20.440 82.305 77.848 1.00 28.10 ATOM 4073 C THR G 92 19.789 81.675 76.617 1.00 25.79 ATOM 4074 O THR G 92 19.453 82.408 75.675 1.00 28.30 ATOM 4069 CB THR G 92 19.361 83.022 78.678 1.00 30.35 ATOM 4070 OG1 THR G 92 20.034 83.595 79.790 1.00 33.01 ATOM 4072 CG2 THR G 92 18.294 82.082 79.212 1.00 30.37 ATOM 4075 N PRO G 93 19.643 80.348 76.506 1.00 23.11 ATOM 4077 CA PRO G 93 20.337 79.364 77.349 1.00 20.56 ATOM 4080 C PRO G 93 21.869 79.526 77.325 1.00 18.74 ATOM 4081 O PRO G 93 22.382 80.218 76.429 1.00 18.17 ATOM 4078 CB PRO G 93 19.843 78.044 76.790 1.00 21.65 ATOM 4079 CG PRO G 93 19.454 78.329 75.360 1.00 22.50 ATOM 4076 CD PRO G 93 18.821 79.700 75.475 1.00 23.42 ATOM 4082 N ASN G 94 22.609 79.003 78.306 1.00 15.51 ATOM 4084 CA ASN G 94 24.067 79.056 78.311 1.00 15.02 ATOM 4091 C ASN G 94 24.633 78.561 76.995 1.00 15.67 ATOM 4092 O ASN G 94 24.057 77.692 76.323 1.00 12.50 ATOM 4085 CB ASN G 94 24.599 78.193 79.409 1.00 16.62 ATOM 4086 CG ASN G 94 24.395 78.836 80.749 1.00 20.37 ATOM 4087 OD1 ASN G 94 23.946 79.972 80.894 1.00 23.04 ATOM 4088 ND2 ASN G 94 24.750 78.152 81.815 1.00 24.09 ATOM 4093 N SER G 95 25.789 79.046 76.593 1.00 18.54 ATOM 4095 CA SER G 95 26.300 78.791 75.259 1.00 14.26 ATOM 4099 C SER G 95 27.478 77.832 75.298 1.00 14.09 ATOM 4100 O SER G 95 28.432 78.070 76.047 1.00 12.53 ATOM 4096 CB SER G 95 26.621 80.165 74.742 1.00 12.31 ATOM 4097 OG SER G 95 27.346 80.100 73.551 1.00 14.84 ATOM 4101 N ILE G 96 27.478 76.743 74.508 1.00 15.16 ATOM 4103 CA ILE G 96 28.549 75.742 74.544 1.00 13.38 ATOM 4108 C ILE G 96 29.815 76.232 73.873 1.00 11.69 ATOM 4109 O ILE G 96 29.803 76.683 72.737 1.00 10.75 ATOM 4104 CB ILE G 96 28.078 74.429 73.855 1.00 14.46 ATOM 4106 CG1 ILE G 96 26.859 73.860 74.541 1.00 12.12 ATOM 4105 CG2 ILE G 96 29.228 73.409 73.913 1.00 16.05 ATOM 4107 CD1 ILE G 96 26.101 72.833 73.666 1.00 13.31 ATOM 4110 N ALA G 97 30.900 76.142 74.615 1.00 11.59 ATOM 4112 CA ALA G 97 32.226 76.453 74.164 1.00 12.93 ATOM 4114 C ALA G 97 32.963 75.136 73.920 1.00 14.11 ATOM 4115 O ALA G 97 33.752 75.097 72.986 1.00 14.30 ATOM 4113 CB ALA G 97 33.004 77.265 75.243 1.00 14.64 ATOM 4116 N ALA G 98 32.753 74.042 74.676 1.00 14.28 ATOM 4118 CA ALA G 98 33.467 72.766 74.495 1.00 14.30 ATOM 4120 C ALA G 98 32.702 71.616 75.139 1.00 12.99 ATOM 4121 O ALA G 98 31.861 71.868 76.009 1.00 10.27 ATOM 4119 CB ALA G 98 34.864 72.831 75.124 1.00 13.35 ATOM 4122 N ILE G 99 32.957 70.396 74.686 1.00 13.86 ATOM 4124 CA ILE G 99 32.239 69.197 75.136 1.00 15.04 ATOM 4129 C ILE G 99 33.360 68.182 75.360 1.00 15.75 ATOM 4130 O ILE G 99 34.395 68.213 74.675 1.00 14.44 ATOM 4125 CB ILE G 99 31.345 68.399 74.126 1.00 17.29 ATOM 4127 CG1 ILE G 99 30.890 69.219 73.050 1.00 19.55 ATOM 4126 CG2 ILE G 99 30.075 67.916 74.726 1.00 19.58 ATOM 4128 CD1 ILE G 99 31.821 68.665 71.984 1.00 20.81 ATOM 4131 N SER G 100 33.068 67.229 76.238 1.00 14.88 ATOM 4133 CA SER G 100 33.937 66.163 76.643 1.00 15.12 ATOM 4137 C SER G 100 33.124 64.898 76.556 1.00 14.27 ATOM 4138 O SER G 100 32.001 64.901 77.072 1.00 13.13 ATOM 4134 CB SER G 100 34.353 66.360 78.078 1.00 14.77 ATOM 4135 OG SER G 100 35.659 65.888 78.010 1.00 24.01 ATOM 4139 N MET G 101 33.540 63.805 75.945 1.00 16.96 ATOM 4141 CA MET G 101 32.798 62.559 76.087 1.00 16.95 ATOM 4146 C MET G 101 33.786 61.540 76.602 1.00 17.31 ATOM 4147 O MET G 101 34.991 61.650 76.339 1.00 13.52 ATOM 4142 CB MET G 101 32.261 62.143 74.769 1.00 20.99 ATOM 4143 CG MET G 101 31.082 63.005 74.509 1.00 26.71 ATOM 4144 SD MET G 101 30.722 62.973 72.766 1.00 32.77 ATOM 4145 CE MET G 101 31.576 64.446 72.353 1.00 32.93 ATOM 4148 N LYS G 102 33.333 60.565 77.380 1.00 23.67 ATOM 4150 CA LYS G 102 34.235 59.577 77.912 1.00 28.97 ATOM 4159 C LYS G 102 33.652 58.178 78.007 1.00 30.72 ATOM 4160 O LYS G 102 32.519 57.990 78.466 1.00 27.57 ATOM 4151 CB LYS G 102 34.708 60.084 79.268 1.00 33.63 ATOM 4152 CG LYS G 102 35.094 59.029 80.285 1.00 40.18 ATOM 4153 CD LYS G 102 36.068 59.535 81.296 1.00 44.73 ATOM 4154 CE LYS G 102 37.438 59.145 80.792 1.00 49.76 ATOM 4155 NZ LYS G 102 38.458 59.572 81.744 1.00 55.95 ATOM 4161 N ASN G 103 34.574 57.348 77.480 1.00 36.31 ATOM 4163 CA ASN G 103 34.648 55.899 77.372 1.00 43.99 ATOM 4170 C ASN G 103 34.594 55.218 76.000 1.00 47.88 ATOM 4171 O ASN G 103 33.673 55.422 75.210 1.00 47.82 ATOM 4164 CB ASN G 103 33.593 55.215 78.252 1.00 47.52 ATOM 4165 CG ASN G 103 34.389 54.449 79.289 1.00 50.06 ATOM 4166 OD1 ASN G 103 34.467 54.781 80.477 1.00 50.41 ATOM 4167 ND2 ASN G 103 35.084 53.420 78.817 1.00 52.70 ATOM 4172 OXT ASN G 103 35.530 54.463 75.731 1.00 51.13 TER ASN G 103 ATOM 4202 N ALA H 1 55.696 57.327 47.105 1.00 22.34 ATOM 4204 CA ALA H 1 55.084 57.903 48.271 1.00 19.89 ATOM 4198 C ALA H 1 55.368 56.869 49.347 1.00 20.89 ATOM 4199 O ALA H 1 55.717 55.729 48.997 1.00 20.37 ATOM 4197 CB ALA H 1 53.585 58.055 48.029 1.00 18.35 ATOM 4205 N PRO H 2 55.348 57.200 50.636 1.00 21.75 ATOM 4207 CA PRO H 2 55.417 56.217 51.710 1.00 21.98 ATOM 4210 C PRO H 2 54.339 55.144 51.618 1.00 21.78 ATOM 4211 O PRO H 2 53.235 55.375 51.109 1.00 20.87 ATOM 4208 CB PRO H 2 55.334 57.046 52.964 1.00 20.99 ATOM 4209 CG PRO H 2 54.550 58.249 52.556 1.00 21.05 ATOM 4206 CD PRO H 2 55.124 58.531 51.174 1.00 21.34 ATOM 4212 N GLN H 3 54.688 53.933 52.018 1.00 21.57 ATOM 4214 CA GLN H 3 53.711 52.856 51.987 1.00 22.19 ATOM 4222 C GLN H 3 53.198 52.586 53.383 1.00 20.68 ATOM 4223 O GLN H 3 52.228 51.850 53.502 1.00 22.50 ATOM 4215 CB GLN H 3 54.309 51.560 51.452 1.00 24.78 ATOM 4216 CG GLN H 3 54.905 51.869 50.093 1.00 31.47 ATOM 4217 CD GLN H 3 55.282 50.696 49.198 1.00 35.71 ATOM 4218 OE1 GLN H 3 56.419 50.636 48.740 1.00 37.50 ATOM 4219 NE2 GLN H 3 54.397 49.757 48.854 1.00 34.58 ATOM 4224 N THR H 4 53.741 53.060 54.495 1.00 18.30 ATOM 4226 CA THR H 4 53.193 52.735 55.810 1.00 19.15 ATOM 4231 C THR H 4 53.270 53.993 56.629 1.00 20.45 ATOM 4232 O THR H 4 54.031 54.906 56.242 1.00 22.93 ATOM 4227 CB THR H 4 54.017 51.668 56.549 1.00 17.11 ATOM 4228 OG1 THR H 4 55.352 52.134 56.731 1.00 16.40 ATOM 4230 CG2 THR H 4 54.036 50.383 55.765 1.00 17.19 ATOM 4233 N ILE H 5 52.606 54.001 57.787 1.00 19.12 ATOM 4235 CA ILE H 5 52.712 55.139 58.695 1.00 18.20 ATOM 4240 C ILE H 5 54.126 55.275 59.247 1.00 18.89 ATOM 4241 O ILE H 5 54.596 56.386 59.443 1.00 19.82 ATOM 4236 CB ILE H 5 51.695 54.996 59.863 1.00 18.36 ATOM 4238 CG1 ILE H 5 51.703 56.296 60.662 1.00 17.33 ATOM 4237 CG2 ILE H 5 52.019 53.801 60.755 1.00 16.54 ATOM 4239 CD1 ILE H 5 50.374 56.448 61.398 1.00 14.76 ATOM 4242 N THR H 6 54.879 54.206 59.445 1.00 21.17 ATOM 4244 CA THR H 6 56.216 54.306 60.012 1.00 22.39 ATOM 4249 C THR H 6 57.106 55.038 59.045 1.00 21.76 ATOM 4250 O THR H 6 57.752 56.015 59.400 1.00 23.52 ATOM 4245 CB THR H 6 56.694 52.901 60.277 1.00 23.11 ATOM 4246 OG1 THR H 6 55.705 52.284 61.095 1.00 22.92 ATOM 4248 CG2 THR H 6 58.030 52.881 60.940 1.00 24.85 ATOM 4251 N GLU H 7 56.994 54.662 57.780 1.00 23.60 ATOM 4253 CA GLU H 7 57.757 55.266 56.698 1.00 23.41 ATOM 4259 C GLU H 7 57.382 56.720 56.497 1.00 19.24 ATOM 4260 O GLU H 7 58.260 57.553 56.327 1.00 20.83 ATOM 4254 CB GLU H 7 57.488 54.459 55.451 1.00 26.18 ATOM 4255 CG GLU H 7 58.390 54.641 54.244 1.00 32.68 ATOM 4256 CD GLU H 7 57.970 53.752 53.059 1.00 37.87 ATOM 4257 OE1 GLU H 7 57.598 52.595 53.289 1.00 36.58 ATOM 4258 OE2 GLU H 7 58.014 54.213 51.907 1.00 40.58 ATOM 4261 N LEU H 8 56.117 57.087 56.493 1.00 15.93 ATOM 4263 CA LEU H 8 55.755 58.485 56.361 1.00 17.57 ATOM 4268 C LEU H 8 56.268 59.291 57.565 1.00 18.85 ATOM 4269 O LEU H 8 56.782 60.403 57.411 1.00 19.56 ATOM 4264 CB LEU H 8 54.230 58.586 56.249 1.00 18.35 ATOM 4265 CG LEU H 8 53.562 59.929 56.018 1.00 19.50 ATOM 4266 CD1 LEU H 8 52.324 59.715 55.195 1.00 21.58 ATOM 4267 CD2 LEU H 8 53.127 60.563 57.317 1.00 21.23 ATOM 4270 N CYS H 9 56.187 58.753 58.781 1.00 19.02 ATOM 4272 CA CYS H 9 56.501 59.503 59.985 1.00 21.42 ATOM 4273 C CYS H 9 57.953 59.942 59.975 1.00 23.32 ATOM 4274 O CYS H 9 58.324 61.055 60.343 1.00 23.00 ATOM 4275 CB CYS H 9 56.183 58.607 61.210 1.00 21.10 ATOM 4276 SG CYS H 9 55.894 59.542 62.747 1.00 18.94 ATOM 4277 N SER H 10 58.763 59.081 59.373 1.00 26.99 ATOM 4279 CA SER H 10 60.205 59.218 59.334 1.00 27.94 ATOM 4283 C SER H 10 60.745 60.273 58.424 1.00 28.75 ATOM 4284 O SER H 10 61.907 60.657 58.518 1.00 30.77 ATOM 4280 CB SER H 10 60.783 57.883 58.967 1.00 28.90 ATOM 4281 OG SER H 10 60.440 57.010 60.055 1.00 35.03 ATOM 4285 N GLU H 11 59.904 60.775 57.546 1.00 28.62 ATOM 4287 CA GLU H 11 60.366 61.822 56.684 1.00 29.26 ATOM 4293 C GLU H 11 60.315 63.138 57.414 1.00 27.44 ATOM 4294 O GLU H 11 60.724 64.131 56.830 1.00 28.87 ATOM 4288 CB GLU H 11 59.504 61.972 55.486 1.00 32.60 ATOM 4289 CG GLU H 11 59.430 60.836 54.514 1.00 36.50 ATOM 4290 CD GLU H 11 58.407 61.114 53.405 1.00 41.71 ATOM 4291 OE1 GLU H 11 57.854 62.227 53.271 1.00 42.41 ATOM 4292 OE2 GLU H 11 58.164 60.165 52.663 1.00 45.10 ATOM 4295 N TYR H 12 59.772 63.222 58.630 1.00 28.14 ATOM 4297 CA TYR H 12 59.619 64.476 59.349 1.00 25.07 ATOM 4307 C TYR H 12 60.493 64.465 60.568 1.00 28.20 ATOM 4308 O TYR H 12 60.740 63.448 61.233 1.00 28.53 ATOM 4298 CB TYR H 12 58.178 64.691 59.816 1.00 22.20 ATOM 4299 CG TYR H 12 57.262 64.794 58.613 1.00 21.14 ATOM 4300 CD1 TYR H 12 56.741 63.653 58.005 1.00 20.94 ATOM 4302 CD2 TYR H 12 57.025 66.043 58.087 1.00 18.59 ATOM 4301 CE1 TYR H 12 55.993 63.760 56.845 1.00 19.71 ATOM 4303 CE2 TYR H 12 56.278 66.152 56.942 1.00 18.70 ATOM 4304 CZ TYR H 12 55.779 65.025 56.335 1.00 19.36 ATOM 4305 OH TYR H 12 55.053 65.210 55.195 1.00 18.95 ATOM 4309 N ARG H 13 60.940 65.682 60.838 1.00 31.82 ATOM 4311 CA ARG H 13 61.691 65.928 62.049 1.00 35.36 ATOM 4324 C ARG H 13 60.671 66.100 63.171 1.00 30.99 ATOM 4325 O ARG H 13 59.525 66.476 62.943 1.00 27.83 ATOM 4312 CB ARG H 13 62.551 67.193 61.893 1.00 43.70 ATOM 4313 CG ARG H 13 63.792 66.963 61.019 1.00 53.07 ATOM 4314 CD ARG H 13 64.817 68.127 60.918 1.00 62.08 ATOM 4315 NE ARG H 13 65.768 67.848 59.831 1.00 70.12 ATOM 4317 CZ ARG H 13 66.692 68.711 59.360 1.00 74.75 ATOM 4318 NH1 ARG H 13 66.865 69.951 59.851 1.00 76.70 ATOM 4321 NH2 ARG H 13 67.405 68.339 58.285 1.00 76.46 ATOM 4326 N ASN H 14 61.123 65.771 64.375 1.00 28.79 ATOM 4328 CA ASN H 14 60.380 65.873 65.619 1.00 28.48 ATOM 4335 C ASN H 14 59.114 65.050 65.634 1.00 27.65 ATOM 4336 O ASN H 14 58.143 65.440 66.275 1.00 27.72 ATOM 4329 CB ASN H 14 59.986 67.309 65.949 1.00 29.09 ATOM 4330 CG ASN H 14 61.189 68.212 66.082 1.00 32.44 ATOM 4331 OD1 ASN H 14 61.328 69.147 65.296 1.00 31.72 ATOM 4332 ND2 ASN H 14 62.112 68.037 67.021 1.00 33.00 ATOM 4337 N THR H 15 59.116 63.898 64.975 1.00 27.68 ATOM 4339 CA THR H 15 58.004 62.961 64.995 1.00 29.27 ATOM 4344 C THR H 15 58.364 61.691 65.752 1.00 31.83 ATOM 4345 O THR H 15 59.546 61.427 66.021 1.00 31.60 ATOM 4340 CB THR H 15 57.594 62.586 63.581 1.00 26.18 ATOM 4341 OG1 THR H 15 58.772 62.224 62.862 1.00 26.82 ATOM 4343 CG2 THR H 15 56.840 63.726 62.948 1.00 25.69 ATOM 4346 N GLN H 16 57.366 60.877 66.115 1.00 33.49 ATOM 4348 CA GLN H 16 57.583 59.631 66.841 1.00 32.50 ATOM 4356 C GLN H 16 56.361 58.747 66.632 1.00 27.73 ATOM 4357 O GLN H 16 55.270 59.296 66.501 1.00 26.69 ATOM 4349 CB GLN H 16 57.765 60.020 68.277 1.00 35.92 ATOM 4350 CG GLN H 16 58.063 58.994 69.317 1.00 42.97 ATOM 4351 CD GLN H 16 57.833 59.630 70.688 1.00 48.52 ATOM 4352 OE1 GLN H 16 58.180 60.796 70.944 1.00 51.03 ATOM 4353 NE2 GLN H 16 57.230 58.875 71.601 1.00 49.41 ATOM 4358 N ILE H 17 56.481 57.425 66.592 1.00 25.68 ATOM 4360 CA ILE H 17 55.346 56.530 66.393 1.00 24.20 ATOM 4365 C ILE H 17 54.925 56.054 67.776 1.00 24.73 ATOM 4366 O ILE H 17 55.785 55.858 68.639 1.00 24.80 ATOM 4361 CB ILE H 17 55.783 55.335 65.486 1.00 21.38 ATOM 4363 CG1 ILE H 17 55.843 55.763 64.007 1.00 21.98 ATOM 4362 CG2 ILE H 17 54.820 54.178 65.663 1.00 19.18 ATOM 4364 CD1 ILE H 17 54.494 56.153 63.324 1.00 24.26 ATOM 4367 N TYR H 18 53.629 55.870 68.018 1.00 25.28 ATOM 4369 CA TYR H 18 53.104 55.350 69.269 1.00 22.61 ATOM 4379 C TYR H 18 52.228 54.263 68.778 1.00 22.19 ATOM 4380 O TYR H 18 51.292 54.470 67.997 1.00 22.39 ATOM 4370 CB TYR H 18 52.173 56.249 70.020 1.00 21.22 ATOM 4371 CG TYR H 18 52.868 57.199 70.931 1.00 24.40 ATOM 4372 CD1 TYR H 18 53.331 58.386 70.425 1.00 25.14 ATOM 4374 CD2 TYR H 18 53.013 56.879 72.268 1.00 28.06 ATOM 4373 CE1 TYR H 18 53.953 59.280 71.250 1.00 26.54 ATOM 4375 CE2 TYR H 18 53.638 57.779 73.111 1.00 28.44 ATOM 4376 CZ TYR H 18 54.100 58.965 72.580 1.00 29.27 ATOM 4377 OH TYR H 18 54.767 59.862 73.384 1.00 34.18 ATOM 4381 N THR H 19 52.526 53.105 69.283 1.00 23.17 ATOM 4383 CA THR H 19 51.699 51.990 68.925 1.00 28.97 ATOM 4388 C THR H 19 50.651 52.043 70.010 1.00 29.23 ATOM 4389 O THR H 19 51.004 52.042 71.185 1.00 32.98 ATOM 4384 CB THR H 19 52.575 50.720 68.939 1.00 32.09 ATOM 4385 OG1 THR H 19 53.662 50.949 68.023 1.00 34.95 ATOM 4387 CG2 THR H 19 51.824 49.499 68.474 1.00 33.29 ATOM 4390 N ILE H 20 49.400 52.259 69.638 1.00 26.73 ATOM 4392 CA ILE H 20 48.321 52.396 70.595 1.00 21.21 ATOM 4397 C ILE H 20 47.632 51.059 70.791 1.00 21.30 ATOM 4398 O ILE H 20 47.455 50.552 71.885 1.00 17.95 ATOM 4393 CB ILE H 20 47.341 53.467 70.046 1.00 20.74 ATOM 4395 CG1 ILE H 20 48.009 54.818 69.837 1.00 19.34 ATOM 4394 CG2 ILE H 20 46.185 53.554 71.012 1.00 17.98 ATOM 4396 CD1 ILE H 20 48.509 55.394 71.192 1.00 21.22 ATOM 4399 N ASN H 21 47.130 50.557 69.672 1.00 21.89 ATOM 4401 CA ASN H 21 46.352 49.365 69.618 1.00 21.98 ATOM 4408 C ASN H 21 45.222 49.384 70.651 1.00 21.52 ATOM 4409 O ASN H 21 45.058 48.527 71.522 1.00 21.64 ATOM 4402 CB ASN H 21 47.316 48.218 69.796 1.00 26.17 ATOM 4403 CG ASN H 21 46.638 46.912 69.463 1.00 32.66 ATOM 4404 OD1 ASN H 21 45.932 46.759 68.469 1.00 38.01 ATOM 4405 ND2 ASN H 21 46.795 45.883 70.271 1.00 36.27 ATOM 4410 N ASP H 22 44.362 50.390 70.548 1.00 19.21 ATOM 4412 CA ASP H 22 43.262 50.551 71.493 1.00 18.47 ATOM 4417 C ASP H 22 42.272 51.601 71.014 1.00 16.12 ATOM 4418 O ASP H 22 42.575 52.369 70.095 1.00 16.58 ATOM 4413 CB ASP H 22 43.829 50.980 72.847 1.00 21.28 ATOM 4414 CG ASP H 22 42.956 50.807 74.084 1.00 23.93 ATOM 4415 OD1 ASP H 22 41.911 50.142 74.035 1.00 21.96 ATOM 4416 OD2 ASP H 22 43.357 51.362 75.114 1.00 27.09 ATOM 4419 N LYS H 23 41.082 51.629 71.605 1.00 14.29 ATOM 4421 CA LYS H 23 40.122 52.676 71.354 1.00 15.31 ATOM 4430 C LYS H 23 40.433 53.904 72.197 1.00 18.55 ATOM 4431 O LYS H 23 41.114 53.873 73.226 1.00 20.02 ATOM 4422 CB LYS H 23 38.738 52.205 71.686 1.00 16.71 ATOM 4423 CG LYS H 23 38.571 51.871 73.128 1.00 19.63 ATOM 4424 CD LYS H 23 37.226 51.270 73.148 1.00 22.84 ATOM 4425 CE LYS H 23 36.738 51.543 74.519 1.00 28.08 ATOM 4426 NZ LYS H 23 36.139 50.326 75.002 1.00 33.53 ATOM 4432 N ILE H 24 39.937 55.026 71.733 1.00 16.68 ATOM 4434 CA ILE H 24 40.094 56.280 72.409 1.00 14.81 ATOM 4439 C ILE H 24 39.293 56.255 73.712 1.00 17.98 ATOM 4440 O ILE H 24 38.125 55.858 73.731 1.00 19.32 ATOM 4435 CB ILE H 24 39.599 57.374 71.459 1.00 10.39 ATOM 4437 CG1 ILE H 24 40.517 57.471 70.276 1.00 10.82 ATOM 4436 CG2 ILE H 24 39.524 58.712 72.210 1.00 8.84 ATOM 4438 CD1 ILE H 24 39.899 58.343 69.160 1.00 13.85 ATOM 4441 N LEU H 25 39.880 56.714 74.804 1.00 17.55 ATOM 4443 CA LEU H 25 39.149 56.768 76.046 1.00 16.72 ATOM 4448 C LEU H 25 38.320 58.048 76.103 1.00 14.74 ATOM 4449 O LEU H 25 37.186 58.009 76.569 1.00 13.19 ATOM 4444 CB LEU H 25 40.175 56.696 77.156 1.00 19.10 ATOM 4445 CG LEU H 25 39.745 56.926 78.591 1.00 19.50 ATOM 4446 CD1 LEU H 25 38.750 55.852 79.001 1.00 18.37 ATOM 4447 CD2 LEU H 25 40.993 56.952 79.466 1.00 20.19 ATOM 4450 N SER H 26 38.814 59.222 75.705 1.00 14.26 ATOM 4452 CA SER H 26 37.946 60.405 75.753 1.00 16.36 ATOM 4456 C SER H 26 38.258 61.294 74.568 1.00 15.35 ATOM 4457 O SER H 26 39.397 61.326 74.083 1.00 16.78 ATOM 4453 CB SER H 26 38.128 61.274 77.058 1.00 16.24 ATOM 4454 OG SER H 26 39.373 61.971 77.176 1.00 16.69 ATOM 4458 N TYR H 27 37.212 62.007 74.162 1.00 13.69 ATOM 4460 CA TYR H 27 37.233 62.979 73.078 1.00 11.97 ATOM 4470 C TYR H 27 36.827 64.369 73.623 1.00 12.52 ATOM 4471 O TYR H 27 35.764 64.495 74.255 1.00 9.37 ATOM 4461 CB TYR H 27 36.250 62.494 72.059 1.00 8.16 ATOM 4462 CG TYR H 27 35.915 63.451 70.940 1.00 8.68 ATOM 4463 CD1 TYR H 27 36.725 63.530 69.822 1.00 6.95 ATOM 4465 CD2 TYR H 27 34.766 64.210 71.049 1.00 9.64 ATOM 4464 CE1 TYR H 27 36.367 64.392 68.806 1.00 5.38 ATOM 4466 CE2 TYR H 27 34.406 65.070 70.023 1.00 8.55 ATOM 4467 CZ TYR H 27 35.228 65.132 68.935 1.00 6.83 ATOM 4468 OH TYR H 27 34.885 65.998 67.953 1.00 11.36 ATOM 4472 N THR H 28 37.596 65.403 73.347 1.00 8.93 ATOM 4474 CA THR H 28 37.234 66.723 73.779 1.00 11.84 ATOM 4479 C THR H 28 37.282 67.563 72.524 1.00 12.42 ATOM 4480 O THR H 28 38.281 67.511 71.804 1.00 12.58 ATOM 4475 CB THR H 28 38.254 67.263 74.828 1.00 12.06 ATOM 4476 OG1 THR H 28 38.078 66.454 75.984 1.00 14.63 ATOM 4478 CG2 THR H 28 38.094 68.753 75.142 1.00 9.88 ATOM 4481 N GLU H 29 36.256 68.357 72.285 1.00 14.95 ATOM 4483 CA GLU H 29 36.226 69.259 71.145 1.00 15.88 ATOM 4489 C GLU H 29 35.942 70.674 71.649 1.00 13.09 ATOM 4490 O GLU H 29 35.025 70.883 72.443 1.00 13.52 ATOM 4484 CB GLU H 29 35.127 68.794 70.216 1.00 13.88 ATOM 4485 CG GLU H 29 35.057 69.515 68.906 1.00 12.88 ATOM 4486 CD GLU H 29 33.742 69.198 68.222 1.00 16.44 ATOM 4487 OE1 GLU H 29 33.339 68.047 68.149 1.00 19.39 ATOM 4488 OE2 GLU H 29 33.069 70.101 67.763 1.00 15.89 ATOM 4491 N SER H 30 36.671 71.669 71.208 1.00 13.92 ATOM 4493 CA SER H 30 36.395 73.043 71.579 1.00 12.60 ATOM 4497 C SER H 30 36.131 73.958 70.375 1.00 12.61 ATOM 4498 O SER H 30 36.799 73.830 69.341 1.00 13.81 ATOM 4494 CB SER H 30 37.586 73.536 72.341 1.00 14.03 ATOM 4495 OG SER H 30 37.591 74.958 72.369 1.00 16.28 ATOM 4499 N MET H 31 35.197 74.911 70.463 1.00 12.39 ATOM 4501 CA MET H 31 35.063 75.942 69.456 1.00 12.67 ATOM 4506 C MET H 31 35.365 77.270 70.140 1.00 15.55 ATOM 4507 O MET H 31 34.973 78.325 69.623 1.00 19.93 ATOM 4502 CB MET H 31 33.652 76.005 68.871 1.00 12.20 ATOM 4503 CG MET H 31 32.626 76.094 69.952 1.00 15.18 ATOM 4504 SD MET H 31 31.018 76.582 69.330 1.00 20.30 ATOM 4505 CE MET H 31 31.293 78.337 69.394 1.00 14.52 ATOM 4508 N ALA H 32 36.004 77.291 71.309 1.00 15.27 ATOM 4510 CA ALA H 32 36.368 78.533 71.980 1.00 16.00 ATOM 4512 C ALA H 32 37.385 79.233 71.074 1.00 17.19 ATOM 4513 O ALA H 32 38.165 78.590 70.363 1.00 15.81 ATOM 4511 CB ALA H 32 36.992 78.200 73.310 1.00 13.96 ATOM 4514 N GLY H 33 37.382 80.563 71.020 1.00 19.75 ATOM 4516 CA GLY H 33 38.205 81.340 70.086 1.00 19.34 ATOM 4517 C GLY H 33 39.680 81.171 70.387 1.00 21.34 ATOM 4518 O GLY H 33 40.092 81.398 71.526 1.00 21.76 ATOM 4519 N LYS H 34 40.462 80.830 69.353 1.00 20.13 ATOM 4521 CA LYS H 34 41.867 80.465 69.434 1.00 21.55 ATOM 4530 C LYS H 34 42.048 79.064 70.025 1.00 18.84 ATOM 4531 O LYS H 34 43.165 78.580 70.086 1.00 15.66 ATOM 4522 CB LYS H 34 42.668 81.421 70.293 1.00 28.26 ATOM 4523 CG LYS H 34 42.604 82.857 69.879 1.00 33.30 ATOM 4524 CD LYS H 34 43.235 83.004 68.534 1.00 41.06 ATOM 4525 CE LYS H 34 43.400 84.515 68.394 1.00 48.40 ATOM 4526 NZ LYS H 34 43.629 84.919 67.010 1.00 52.88 ATOM 4532 N ARG H 35 41.004 78.317 70.421 1.00 20.62 ATOM 4534 CA ARG H 35 41.128 76.950 70.922 1.00 17.80 ATOM 4547 C ARG H 35 40.211 76.030 70.152 1.00 14.70 ATOM 4548 O ARG H 35 39.602 75.129 70.718 1.00 11.86 ATOM 4535 CB ARG H 35 40.759 76.835 72.405 1.00 18.66 ATOM 4536 CG ARG H 35 41.774 77.470 73.338 1.00 17.79 ATOM 4537 CD ARG H 35 43.210 77.041 73.118 1.00 17.29 ATOM 4538 NE ARG H 35 43.997 77.593 74.194 1.00 20.96 ATOM 4540 CZ ARG H 35 45.334 77.566 74.230 1.00 21.23 ATOM 4541 NH1 ARG H 35 46.079 77.034 73.279 1.00 20.15 ATOM 4544 NH2 ARG H 35 45.962 78.099 75.279 1.00 22.36 ATOM 4549 N GLU H 36 40.087 76.267 68.854 1.00 13.32 ATOM 4551 CA GLU H 36 39.287 75.414 67.956 1.00 14.85 ATOM 4557 C GLU H 36 40.110 74.144 67.713 1.00 15.47 ATOM 4558 O GLU H 36 41.038 74.104 66.879 1.00 16.16 ATOM 4552 CB GLU H 36 39.035 76.126 66.626 1.00 10.86 ATOM 4553 CG GLU H 36 38.416 77.498 66.877 1.00 10.80 ATOM 4554 CD GLU H 36 39.395 78.655 66.927 1.00 12.04 ATOM 4555 OE1 GLU H 36 40.612 78.474 66.933 1.00 14.27 ATOM 4556 OE2 GLU H 36 38.932 79.784 66.976 1.00 14.45 ATOM 4559 N MET H 37 39.831 73.086 68.460 1.00 13.59 ATOM 4561 CA MET H 37 40.717 71.935 68.439 1.00 13.69 ATOM 4566 C MET H 37 40.038 70.731 69.057 1.00 13.92 ATOM 4567 O MET H 37 38.952 70.824 69.672 1.00 15.99 ATOM 4562 CB MET H 37 42.011 72.239 69.240 1.00 17.55 ATOM 4563 CG MET H 37 41.775 72.528 70.744 1.00 18.76 ATOM 4564 SD MET H 37 43.254 72.657 71.773 1.00 20.03 ATOM 4565 CE MET H 37 43.575 74.259 71.120 1.00 21.29 ATOM 4568 N VAL H 38 40.739 69.601 68.943 1.00 12.59 ATOM 4570 CA VAL H 38 40.271 68.338 69.507 1.00 12.54 ATOM 4574 C VAL H 38 41.433 67.781 70.325 1.00 13.16 ATOM 4575 O VAL H 38 42.588 68.033 69.962 1.00 11.90 ATOM 4571 CB VAL H 38 39.840 67.407 68.320 1.00 11.91 ATOM 4572 CG1 VAL H 38 39.744 65.922 68.665 1.00 13.00 ATOM 4573 CG2 VAL H 38 38.422 67.837 67.939 1.00 10.20 ATOM 4576 N ILE H 39 41.130 67.066 71.431 1.00 13.23 ATOM 4578 CA ILE H 39 42.079 66.409 72.334 1.00 10.88 ATOM 4583 C ILE H 39 41.456 65.033 72.590 1.00 11.45 ATOM 4584 O ILE H 39 40.240 64.852 72.871 1.00 11.10 ATOM 4579 CB ILE H 39 42.203 67.174 73.686 1.00 13.16 ATOM 4581 CG1 ILE H 39 42.773 68.570 73.509 1.00 11.15 ATOM 4580 CG2 ILE H 39 43.152 66.405 74.606 1.00 14.97 ATOM 4582 CD1 ILE H 39 42.183 69.512 74.564 1.00 12.28 ATOM 4585 N ILE H 40 42.318 64.053 72.442 1.00 9.00 ATOM 4587 CA ILE H 40 41.916 62.678 72.693 1.00 13.03 ATOM 4592 C ILE H 40 42.870 62.108 73.740 1.00 13.73 ATOM 4593 O ILE H 40 44.032 62.514 73.816 1.00 16.15 ATOM 4588 CB ILE H 40 41.970 61.798 71.394 1.00 12.59 ATOM 4590 CG1 ILE H 40 43.354 61.767 70.755 1.00 10.30 ATOM 4589 CG2 ILE H 40 40.876 62.347 70.441 1.00 11.78 ATOM 4591 CD1 ILE H 40 43.505 60.553 69.778 1.00 9.80 ATOM 4594 N THR H 41 42.427 61.117 74.493 1.00 17.00 ATOM 4596 CA THR H 41 43.142 60.520 75.621 1.00 17.96 ATOM 4601 C THR H 41 42.927 59.014 75.533 1.00 16.81 ATOM 4602 O THR H 41 41.852 58.545 75.134 1.00 17.86 ATOM 4597 CB THR H 41 42.467 61.227 76.793 1.00 21.87 ATOM 4598 OG1 THR H 41 43.288 62.357 77.106 1.00 22.41 ATOM 4600 CG2 THR H 41 42.107 60.285 77.887 1.00 22.86 ATOM 4603 N PHE H 42 43.893 58.231 75.950 1.00 16.72 ATOM 4605 CA PHE H 42 43.785 56.788 75.926 1.00 16.77 ATOM 4613 C PHE H 42 43.937 56.280 77.327 1.00 20.05 ATOM 4614 O PHE H 42 44.461 56.994 78.168 1.00 20.31 ATOM 4606 CB PHE H 42 44.878 56.197 75.119 1.00 16.84 ATOM 4607 CG PHE H 42 44.729 56.460 73.636 1.00 18.09 ATOM 4608 CD1 PHE H 42 43.907 55.645 72.881 1.00 18.15 ATOM 4609 CD2 PHE H 42 45.423 57.500 73.044 1.00 18.11 ATOM 4610 CE1 PHE H 42 43.775 55.871 71.522 1.00 19.25 ATOM 4611 CE2 PHE H 42 45.283 57.712 71.683 1.00 19.88 ATOM 4612 CZ PHE H 42 44.463 56.899 70.925 1.00 18.91 ATOM 4615 N LYS H 43 43.596 55.032 77.592 1.00 25.46 ATOM 4617 CA LYS H 43 43.730 54.340 78.880 1.00 30.71 ATOM 4626 C LYS H 43 45.115 54.431 79.488 1.00 28.75 ATOM 4627 O LYS H 43 45.311 54.651 80.666 1.00 32.83 ATOM 4618 CB LYS H 43 43.440 52.884 78.691 1.00 38.87 ATOM 4619 CG LYS H 43 42.538 52.214 79.678 1.00 48.03 ATOM 4620 CD LYS H 43 41.139 52.802 79.547 1.00 56.24 ATOM 4621 CE LYS H 43 40.167 51.971 80.394 1.00 62.19 ATOM 4622 NZ LYS H 43 38.804 52.491 80.377 1.00 65.09 ATOM 4628 N SER H 44 46.109 54.246 78.655 1.00 28.04 ATOM 4630 CA SER H 44 47.485 54.302 79.034 1.00 29.76 ATOM 4634 C SER H 44 47.911 55.658 79.521 1.00 31.56 ATOM 4635 O SER H 44 49.095 55.770 79.816 1.00 36.71 ATOM 4631 CB SER H 44 48.348 53.927 77.850 1.00 34.81 ATOM 4632 OG SER H 44 48.179 54.774 76.695 1.00 39.64 ATOM 4636 N GLY H 45 47.096 56.720 79.524 1.00 30.71 ATOM 4638 CA GLY H 45 47.518 58.016 80.032 1.00 30.03 ATOM 4639 C GLY H 45 48.000 59.048 79.027 1.00 28.39 ATOM 4640 O GLY H 45 48.179 60.228 79.370 1.00 26.85 ATOM 4641 N GLU H 46 48.225 58.616 77.786 1.00 27.95 ATOM 4643 CA GLU H 46 48.661 59.490 76.709 1.00 26.47 ATOM 4649 C GLU H 46 47.564 60.444 76.229 1.00 23.19 ATOM 4650 O GLU H 46 46.383 60.083 76.170 1.00 20.54 ATOM 4644 CB GLU H 46 49.146 58.632 75.562 1.00 34.60 ATOM 4645 CG GLU H 46 50.638 58.311 75.648 1.00 44.66 ATOM 4646 CD GLU H 46 51.550 59.554 75.750 1.00 54.37 ATOM 4647 OE1 GLU H 46 51.376 60.563 75.034 1.00 57.92 ATOM 4648 OE2 GLU H 46 52.465 59.507 76.577 1.00 58.93 ATOM 4651 N THR H 47 47.937 61.679 75.885 1.00 19.04 ATOM 4653 CA THR H 47 46.974 62.687 75.500 1.00 16.52 ATOM 4658 C THR H 47 47.570 63.239 74.241 1.00 14.71 ATOM 4659 O THR H 47 48.796 63.356 74.155 1.00 13.47 ATOM 4654 CB THR H 47 46.835 63.826 76.557 1.00 17.88 ATOM 4655 OG1 THR H 47 46.402 63.208 77.777 1.00 23.46 ATOM 4657 CG2 THR H 47 45.786 64.879 76.205 1.00 12.59 ATOM 4660 N PHE H 48 46.741 63.485 73.233 1.00 13.97 ATOM 4662 CA PHE H 48 47.233 64.060 71.997 1.00 13.02 ATOM 4670 C PHE H 48 46.235 65.093 71.530 1.00 10.74 ATOM 4671 O PHE H 48 45.053 64.987 71.870 1.00 12.03 ATOM 4663 CB PHE H 48 47.384 62.978 70.910 1.00 11.57 ATOM 4664 CG PHE H 48 48.271 61.819 71.307 1.00 9.21 ATOM 4665 CD1 PHE H 48 49.626 61.946 71.255 1.00 7.76 ATOM 4666 CD2 PHE H 48 47.690 60.645 71.707 1.00 8.53 ATOM 4667 CE1 PHE H 48 50.421 60.888 71.639 1.00 9.66 ATOM 4668 CE2 PHE H 48 48.488 59.596 72.085 1.00 9.80 ATOM 4669 CZ PHE H 48 49.854 59.709 72.039 1.00 8.06 ATOM 4672 N GLN H 49 46.681 66.036 70.713 1.00 11.10 ATOM 4674 CA GLN H 49 45.808 67.072 70.180 1.00 11.57 ATOM 4682 C GLN H 49 45.891 67.123 68.644 1.00 13.75 ATOM 4683 O GLN H 49 46.883 66.691 68.027 1.00 13.25 ATOM 4675 CB GLN H 49 46.209 68.484 70.728 1.00 8.93 ATOM 4676 CG GLN H 49 47.598 68.873 70.230 1.00 5.78 ATOM 4677 CD GLN H 49 48.028 70.304 70.455 1.00 11.39 ATOM 4678 OE1 GLN H 49 47.280 71.255 70.234 1.00 13.87 ATOM 4679 NE2 GLN H 49 49.251 70.592 70.903 1.00 9.55 ATOM 4684 N VAL H 50 44.841 67.630 68.002 1.00 13.42 ATOM 4686 CA VAL H 50 44.938 68.085 66.622 1.00 11.42 ATOM 4690 C VAL H 50 45.139 69.583 66.827 1.00 11.46 ATOM 4691 O VAL H 50 44.291 70.225 67.453 1.00 12.23 ATOM 4687 CB VAL H 50 43.646 67.857 65.882 1.00 12.08 ATOM 4688 CG1 VAL H 50 43.817 68.370 64.472 1.00 8.96 ATOM 4689 CG2 VAL H 50 43.310 66.388 65.889 1.00 10.89 ATOM 4692 N GLU H 51 46.191 70.209 66.332 1.00 11.54 ATOM 4694 CA GLU H 51 46.446 71.618 66.616 1.00 11.27 ATOM 4700 C GLU H 51 45.477 72.614 66.028 1.00 15.21 ATOM 4701 O GLU H 51 44.838 72.306 65.022 1.00 14.94 ATOM 4695 CB GLU H 51 47.791 72.008 66.127 1.00 9.59 ATOM 4696 CG GLU H 51 48.862 71.535 67.035 1.00 10.37 ATOM 4697 CD GLU H 51 50.187 71.925 66.473 1.00 11.17 ATOM 4698 OE1 GLU H 51 50.601 73.065 66.627 1.00 15.51 ATOM 4699 OE2 GLU H 51 50.781 71.077 65.840 1.00 14.75 ATOM 4702 N VAL H 52 45.396 73.825 66.600 1.00 13.75 ATOM 4704 CA VAL H 52 44.571 74.887 66.042 1.00 18.48 ATOM 4708 C VAL H 52 45.247 75.232 64.721 1.00 20.14 ATOM 4709 O VAL H 52 46.476 75.233 64.747 1.00 21.99 ATOM 4705 CB VAL H 52 44.572 76.110 66.997 1.00 20.67 ATOM 4706 CG1 VAL H 52 44.059 77.411 66.414 1.00 18.96 ATOM 4707 CG2 VAL H 52 43.593 75.758 68.075 1.00 22.56 ATOM 4710 N PRO H 53 44.624 75.484 63.550 1.00 22.73 ATOM 4712 CA PRO H 53 45.298 75.967 62.333 1.00 22.07 ATOM 4715 C PRO H 53 46.110 77.232 62.629 1.00 25.11 ATOM 4716 O PRO H 53 45.623 78.154 63.298 1.00 26.67 ATOM 4713 CB PRO H 53 44.182 76.211 61.360 1.00 18.88 ATOM 4714 CG PRO H 53 43.062 75.367 61.829 1.00 18.75 ATOM 4711 CD PRO H 53 43.180 75.361 63.341 1.00 20.37 ATOM 4717 N GLY H 54 47.322 77.331 62.093 1.00 28.53 ATOM 4719 CA GLY H 54 48.157 78.491 62.362 1.00 31.38 ATOM 4720 C GLY H 54 49.206 78.617 61.262 1.00 32.64 ATOM 4721 O GLY H 54 49.195 77.841 60.300 1.00 32.34 ATOM 4722 N SER H 55 50.164 79.517 61.464 1.00 34.13 ATOM 4724 CA SER H 55 51.301 79.773 60.593 1.00 37.06 ATOM 4728 C SER H 55 52.139 78.558 60.214 1.00 36.87 ATOM 4729 O SER H 55 52.807 78.604 59.181 1.00 37.41 ATOM 4725 CB SER H 55 52.248 80.767 61.256 1.00 41.21 ATOM 4726 OG SER H 55 51.534 81.789 61.935 1.00 45.97 ATOM 4730 N GLN H 56 52.142 77.481 61.032 1.00 33.71 ATOM 4732 CA GLN H 56 52.958 76.295 60.771 1.00 31.02 ATOM 4740 C GLN H 56 52.397 75.414 59.675 1.00 29.74 ATOM 4741 O GLN H 56 53.023 74.438 59.235 1.00 32.95 ATOM 4733 CB GLN H 56 53.068 75.326 61.917 1.00 31.50 ATOM 4734 CG GLN H 56 52.872 75.884 63.261 1.00 32.73 ATOM 4735 CD GLN H 56 51.426 75.956 63.647 1.00 31.79 ATOM 4736 OE1 GLN H 56 50.765 74.949 63.841 1.00 33.42 ATOM 4737 NE2 GLN H 56 50.883 77.157 63.789 1.00 32.53 ATOM 4742 N HIS H 57 51.152 75.722 59.328 1.00 27.92 ATOM 4744 CA HIS H 57 50.399 74.891 58.429 1.00 27.17 ATOM 4753 C HIS H 57 50.410 75.554 57.060 1.00 30.12 ATOM 4754 O HIS H 57 50.050 76.734 56.881 1.00 31.24 ATOM 4745 CB HIS H 57 48.969 74.736 58.961 1.00 25.09 ATOM 4746 CG HIS H 57 48.875 74.009 60.310 1.00 23.70 ATOM 4748 ND1 HIS H 57 48.419 74.431 61.500 1.00 20.83 ATOM 4747 CD2 HIS H 57 49.289 72.705 60.469 1.00 20.82 ATOM 4750 CE1 HIS H 57 48.542 73.441 62.354 1.00 19.57 ATOM 4751 NE2 HIS H 57 49.060 72.425 61.720 1.00 21.61 ATOM 4755 N ILE H 58 50.880 74.761 56.086 1.00 29.69 ATOM 4757 CA ILE H 58 50.844 75.227 54.738 1.00 27.81 ATOM 4762 C ILE H 58 49.400 74.968 54.323 1.00 25.68 ATOM 4763 O ILE H 58 48.674 74.172 54.919 1.00 23.68 ATOM 4758 CB ILE H 58 51.946 74.467 53.937 1.00 30.54 ATOM 4760 CG1 ILE H 58 52.185 75.269 52.624 1.00 37.20 ATOM 4759 CG2 ILE H 58 51.552 73.012 53.599 1.00 29.16 ATOM 4761 CD1 ILE H 58 52.094 76.860 52.439 1.00 36.70 ATOM 4764 N ASP H 59 48.937 75.666 53.306 1.00 27.59 ATOM 4766 CA ASP H 59 47.544 75.674 52.938 1.00 30.05 ATOM 4771 C ASP H 59 47.031 74.305 52.519 1.00 26.59 ATOM 4772 O ASP H 59 45.858 74.026 52.787 1.00 25.46 ATOM 4767 CB ASP H 59 47.353 76.772 51.839 1.00 37.66 ATOM 4768 CG ASP H 59 47.796 78.211 52.227 1.00 45.11 ATOM 4769 OD1 ASP H 59 47.649 78.662 53.381 1.00 49.24 ATOM 4770 OD2 ASP H 59 48.319 78.905 51.353 1.00 48.61 ATOM 4773 N SER H 60 47.820 73.388 51.946 1.00 22.23 ATOM 4775 CA SER H 60 47.307 72.045 51.729 1.00 19.83 ATOM 4779 C SER H 60 46.897 71.307 53.027 1.00 19.99 ATOM 4780 O SER H 60 46.062 70.396 53.010 1.00 18.05 ATOM 4776 CB SER H 60 48.354 71.259 50.976 1.00 18.76 ATOM 4777 OG SER H 60 49.664 71.306 51.524 1.00 19.89 ATOM 4781 N GLN H 61 47.395 71.726 54.208 1.00 18.54 ATOM 4783 CA GLN H 61 47.090 71.058 55.452 1.00 17.03 ATOM 4791 C GLN H 61 45.731 71.373 56.003 1.00 17.88 ATOM 4792 O GLN H 61 45.140 70.539 56.671 1.00 20.97 ATOM 4784 CB GLN H 61 48.106 71.405 56.496 1.00 16.69 ATOM 4785 CG GLN H 61 49.371 70.681 56.145 1.00 15.57 ATOM 4786 CD GLN H 61 50.391 70.890 57.228 1.00 15.06 ATOM 4787 OE1 GLN H 61 51.096 71.869 57.194 1.00 20.76 ATOM 4788 NE2 GLN H 61 50.604 70.073 58.215 1.00 12.66 ATOM 4793 N LYS H 62 45.164 72.525 55.701 1.00 20.02 ATOM 4795 CA LYS H 62 43.885 72.945 56.223 1.00 20.77 ATOM 4804 C LYS H 62 42.716 72.004 55.985 1.00 20.96 ATOM 4805 O LYS H 62 42.023 71.698 56.963 1.00 18.49 ATOM 4796 CB LYS H 62 43.668 74.324 55.648 1.00 24.91 ATOM 4797 CG LYS H 62 44.526 75.275 56.504 1.00 33.03 ATOM 4798 CD LYS H 62 44.930 76.611 55.892 1.00 40.62 ATOM 4799 CE LYS H 62 43.748 77.355 55.231 1.00 45.94 ATOM 4800 NZ LYS H 62 44.207 78.483 54.424 1.00 48.80 ATOM 4806 N LYS H 63 42.474 71.460 54.778 1.00 19.34 ATOM 4808 CA LYS H 63 41.402 70.493 54.586 1.00 18.29 ATOM 4817 C LYS H 63 41.796 69.244 55.327 1.00 12.52 ATOM 4818 O LYS H 63 40.980 68.550 55.872 1.00 13.38 ATOM 4809 CB LYS H 63 41.196 70.027 53.137 1.00 26.64 ATOM 4810 CG LYS H 63 41.049 71.112 52.074 1.00 36.47 ATOM 4811 CD LYS H 63 40.256 70.815 50.780 1.00 42.47 ATOM 4812 CE LYS H 63 38.990 71.728 50.743 1.00 48.49 ATOM 4813 NZ LYS H 63 37.762 70.969 50.483 1.00 54.07 ATOM 4819 N ALA H 64 43.052 68.885 55.401 1.00 10.60 ATOM 4821 CA ALA H 64 43.460 67.663 56.051 1.00 12.62 ATOM 4823 C ALA H 64 43.255 67.703 57.545 1.00 13.75 ATOM 4824 O ALA H 64 42.918 66.660 58.099 1.00 17.46 ATOM 4822 CB ALA H 64 44.906 67.422 55.767 1.00 12.56 ATOM 4825 N ILE H 65 43.415 68.862 58.200 1.00 13.59 ATOM 4827 CA ILE H 65 43.168 69.081 59.638 1.00 14.05 ATOM 4832 C ILE H 65 41.675 68.861 59.879 1.00 12.35 ATOM 4833 O ILE H 65 41.286 68.177 60.837 1.00 10.03 ATOM 4828 CB ILE H 65 43.568 70.555 60.100 1.00 13.94 ATOM 4830 CG1 ILE H 65 45.092 70.660 60.077 1.00 13.28 ATOM 4829 CG2 ILE H 65 42.984 70.914 61.488 1.00 12.52 ATOM 4831 CD1 ILE H 65 45.627 72.120 59.998 1.00 11.20 ATOM 4834 N GLU H 66 40.797 69.346 59.001 1.00 9.74 ATOM 4836 CA GLU H 66 39.390 69.113 59.263 1.00 9.96 ATOM 4842 C GLU H 66 39.041 67.627 59.100 1.00 10.91 ATOM 4843 O GLU H 66 38.234 67.063 59.838 1.00 13.20 ATOM 4837 CB GLU H 66 38.555 70.009 58.317 1.00 10.00 ATOM 4838 CG GLU H 66 38.723 71.491 58.556 1.00 11.82 ATOM 4839 CD GLU H 66 38.470 71.969 59.984 1.00 15.06 ATOM 4840 OE1 GLU H 66 37.359 71.825 60.493 1.00 17.96 ATOM 4841 OE2 GLU H 66 39.400 72.504 60.589 1.00 13.98 ATOM 4844 N ARG H 67 39.695 66.905 58.189 1.00 11.16 ATOM 4846 CA ARG H 67 39.396 65.503 57.968 1.00 9.03 ATOM 4859 C ARG H 67 39.788 64.662 59.187 1.00 10.66 ATOM 4860 O ARG H 67 39.067 63.759 59.630 1.00 9.90 ATOM 4847 CB ARG H 67 40.159 65.044 56.724 1.00 6.47 ATOM 4848 CG ARG H 67 39.829 63.590 56.367 1.00 8.17 ATOM 4849 CD ARG H 67 40.512 63.121 55.070 1.00 6.67 ATOM 4850 NE ARG H 67 39.908 63.794 53.932 1.00 9.32 ATOM 4852 CZ ARG H 67 38.699 63.448 53.481 1.00 8.20 ATOM 4853 NH1 ARG H 67 37.983 62.469 54.026 1.00 7.51 ATOM 4856 NH2 ARG H 67 38.162 64.146 52.509 1.00 8.99 ATOM 4861 N MET H 68 40.976 64.962 59.731 1.00 11.75 ATOM 4863 CA MET H 68 41.514 64.253 60.873 1.00 10.64 ATOM 4868 C MET H 68 40.551 64.433 62.029 1.00 11.65 ATOM 4869 O MET H 68 40.264 63.469 62.735 1.00 15.15 ATOM 4864 CB MET H 68 42.892 64.814 61.203 1.00 9.42 ATOM 4865 CG MET H 68 43.619 64.080 62.308 1.00 12.11 ATOM 4866 SD MET H 68 43.788 62.301 61.998 1.00 16.02 ATOM 4867 CE MET H 68 45.317 62.561 61.132 1.00 14.11 ATOM 4870 N LYS H 69 39.916 65.587 62.213 1.00 11.39 ATOM 4872 CA LYS H 69 39.011 65.722 63.346 1.00 10.00 ATOM 4881 C LYS H 69 37.716 65.006 63.080 1.00 12.37 ATOM 4882 O LYS H 69 37.085 64.538 64.029 1.00 13.52 ATOM 4873 CB LYS H 69 38.719 67.184 63.646 1.00 10.76 ATOM 4874 CG LYS H 69 39.877 67.911 64.274 1.00 10.63 ATOM 4875 CD LYS H 69 39.711 69.426 64.468 1.00 9.92 ATOM 4876 CE LYS H 69 39.651 70.124 63.145 1.00 9.34 ATOM 4877 NZ LYS H 69 39.903 71.543 63.311 1.00 9.17 ATOM 4883 N ASP H 70 37.290 64.883 61.813 1.00 12.64 ATOM 4885 CA ASP H 70 36.097 64.115 61.493 1.00 11.10 ATOM 4890 C ASP H 70 36.404 62.669 61.757 1.00 9.93 ATOM 4891 O ASP H 70 35.554 62.042 62.351 1.00 8.94 ATOM 4886 CB ASP H 70 35.705 64.193 60.038 1.00 15.34 ATOM 4887 CG ASP H 70 35.270 65.554 59.512 1.00 19.21 ATOM 4888 OD1 ASP H 70 34.851 66.403 60.299 1.00 22.98 ATOM 4889 OD2 ASP H 70 35.327 65.748 58.300 1.00 17.22 ATOM 4892 N THR H 71 37.564 62.122 61.375 1.00 8.65 ATOM 4894 CA THR H 71 37.950 60.741 61.599 1.00 9.87 ATOM 4899 C THR H 71 38.014 60.412 63.070 1.00 11.32 ATOM 4900 O THR H 71 37.522 59.356 63.451 1.00 13.22 ATOM 4895 CB THR H 71 39.312 60.520 60.926 1.00 10.83 ATOM 4896 OG1 THR H 71 39.056 60.683 59.535 1.00 11.57 ATOM 4898 CG2 THR H 71 39.949 59.194 61.200 1.00 10.81 ATOM 4901 N LEU H 72 38.614 61.265 63.911 1.00 11.75 ATOM 4903 CA LEU H 72 38.703 61.036 65.346 1.00 10.56 ATOM 4908 C LEU H 72 37.334 61.035 66.013 1.00 13.75 ATOM 4909 O LEU H 72 37.087 60.180 66.883 1.00 16.74 ATOM 4904 CB LEU H 72 39.601 62.092 65.969 1.00 8.29 ATOM 4905 CG LEU H 72 41.052 62.026 65.494 1.00 8.17 ATOM 4906 CD1 LEU H 72 41.786 63.109 66.203 1.00 7.38 ATOM 4907 CD2 LEU H 72 41.718 60.699 65.783 1.00 6.44 ATOM 4910 N ARG H 73 36.395 61.913 65.611 1.00 11.06 ATOM 4912 CA ARG H 73 35.051 61.903 66.174 1.00 11.72 ATOM 4925 C ARG H 73 34.363 60.579 65.886 1.00 14.29 ATOM 4926 O ARG H 73 33.805 59.954 66.794 1.00 15.69 ATOM 4913 CB ARG H 73 34.259 63.065 65.584 1.00 9.79 ATOM 4914 CG ARG H 73 32.865 63.079 66.150 1.00 9.84 ATOM 4915 CD ARG H 73 32.098 64.344 65.755 1.00 11.92 ATOM 4916 NE ARG H 73 31.955 64.415 64.329 1.00 14.01 ATOM 4918 CZ ARG H 73 31.825 65.540 63.657 1.00 15.85 ATOM 4919 NH1 ARG H 73 31.784 66.758 64.201 1.00 16.69 ATOM 4922 NH2 ARG H 73 31.882 65.425 62.356 1.00 16.61 ATOM 4927 N ILE H 74 34.376 60.105 64.626 1.00 15.48 ATOM 4929 CA ILE H 74 33.805 58.792 64.259 1.00 13.18 ATOM 4934 C ILE H 74 34.487 57.655 65.029 1.00 11.31 ATOM 4935 O ILE H 74 33.801 56.820 65.598 1.00 12.30 ATOM 4930 CB ILE H 74 33.964 58.529 62.724 1.00 15.29 ATOM 4932 CG1 ILE H 74 33.157 59.554 61.942 1.00 14.01 ATOM 4931 CG2 ILE H 74 33.426 57.136 62.343 1.00 16.44 ATOM 4933 CD1 ILE H 74 33.664 59.688 60.498 1.00 10.32 ATOM 4936 N THR H 75 35.816 57.649 65.114 1.00 7.09 ATOM 4938 CA THR H 75 36.571 56.613 65.783 1.00 9.41 ATOM 4943 C THR H 75 36.190 56.566 67.238 1.00 13.39 ATOM 4944 O THR H 75 35.978 55.470 67.752 1.00 14.84 ATOM 4939 CB THR H 75 38.012 56.929 65.591 1.00 10.98 ATOM 4940 OG1 THR H 75 38.223 56.546 64.248 1.00 19.41 ATOM 4942 CG2 THR H 75 38.973 56.139 66.370 1.00 16.97 ATOM 4945 N TYR H 76 36.046 57.725 67.900 1.00 13.02 ATOM 4947 CA TYR H 76 35.655 57.770 69.277 1.00 12.07 ATOM 4957 C TYR H 76 34.252 57.219 69.372 1.00 12.20 ATOM 4958 O TYR H 76 34.005 56.324 70.181 1.00 15.83 ATOM 4948 CB TYR H 76 35.628 59.209 69.844 1.00 14.65 ATOM 4949 CG TYR H 76 35.076 59.192 71.283 1.00 15.18 ATOM 4950 CD1 TYR H 76 35.868 58.694 72.299 1.00 13.24 ATOM 4952 CD2 TYR H 76 33.751 59.518 71.519 1.00 12.97 ATOM 4951 CE1 TYR H 76 35.338 58.498 73.540 1.00 12.51 ATOM 4953 CE2 TYR H 76 33.209 59.309 72.757 1.00 12.03 ATOM 4954 CZ TYR H 76 34.019 58.795 73.748 1.00 13.69 ATOM 4955 OH TYR H 76 33.474 58.498 74.964 1.00 11.78 ATOM 4959 N LEU H 77 33.317 57.711 68.580 1.00 12.37 ATOM 4961 CA LEU H 77 31.926 57.353 68.827 1.00 15.97 ATOM 4966 C LEU H 77 31.610 55.880 68.670 1.00 17.47 ATOM 4967 O LEU H 77 30.733 55.336 69.352 1.00 16.46 ATOM 4962 CB LEU H 77 31.000 58.159 67.908 1.00 17.67 ATOM 4963 CG LEU H 77 30.906 59.662 68.194 1.00 22.54 ATOM 4964 CD1 LEU H 77 30.178 60.339 67.053 1.00 23.84 ATOM 4965 CD2 LEU H 77 30.156 59.920 69.493 1.00 21.67 ATOM 4968 N THR H 78 32.337 55.239 67.754 1.00 16.94 ATOM 4970 CA THR H 78 32.093 53.863 67.427 1.00 14.85 ATOM 4975 C THR H 78 33.102 52.985 68.150 1.00 18.06 ATOM 4976 O THR H 78 33.121 51.802 67.851 1.00 18.07 ATOM 4971 CB THR H 78 32.215 53.691 65.889 1.00 10.70 ATOM 4972 OG1 THR H 78 33.544 54.091 65.524 1.00 8.38 ATOM 4974 CG2 THR H 78 31.129 54.464 65.143 1.00 7.10 ATOM 4977 N GLU H 79 33.991 53.462 69.020 1.00 18.82 ATOM 4979 CA GLU H 79 34.991 52.615 69.666 1.00 21.89 ATOM 4985 C GLU H 79 35.897 51.809 68.725 1.00 19.39 ATOM 4986 O GLU H 79 36.307 50.674 69.007 1.00 17.53 ATOM 4980 CB GLU H 79 34.283 51.663 70.640 1.00 24.83 ATOM 4981 CG GLU H 79 33.583 52.334 71.838 1.00 29.30 ATOM 4982 CD GLU H 79 32.968 51.321 72.812 1.00 32.34 ATOM 4983 OE1 GLU H 79 33.712 50.535 73.390 1.00 32.81 ATOM 4984 OE2 GLU H 79 31.745 51.290 72.985 1.00 35.54 ATOM 4987 N THR H 80 36.275 52.423 67.594 1.00 18.08 ATOM 4989 CA THR H 80 37.140 51.790 66.611 1.00 16.95 ATOM 4994 C THR H 80 38.568 51.807 67.190 1.00 17.60 ATOM 4995 O THR H 80 39.042 52.788 67.766 1.00 17.48 ATOM 4990 CB THR H 80 37.072 52.559 65.246 1.00 13.44 ATOM 4991 OG1 THR H 80 35.786 52.338 64.693 1.00 12.46 ATOM 4993 CG2 THR H 80 38.083 52.086 64.246 1.00 10.93 ATOM 4996 N LYS H 81 39.260 50.685 67.039 1.00 18.80 ATOM 4998 CA LYS H 81 40.601 50.537 67.547 1.00 22.20 ATOM 5007 C LYS H 81 41.608 51.299 66.686 1.00 20.34 ATOM 5008 O LYS H 81 41.573 51.181 65.463 1.00 22.27 ATOM 4999 CB LYS H 81 40.834 49.054 67.568 1.00 27.94 ATOM 5000 CG LYS H 81 41.905 48.504 68.461 1.00 35.70 ATOM 5001 CD LYS H 81 41.700 46.998 68.441 1.00 42.28 ATOM 5002 CE LYS H 81 42.332 46.303 69.653 1.00 49.25 ATOM 5003 NZ LYS H 81 41.667 46.629 70.919 1.00 53.01 ATOM 5009 N ILE H 82 42.502 52.104 67.245 1.00 18.04 ATOM 5011 CA ILE H 82 43.539 52.789 66.506 1.00 16.25 ATOM 5016 C ILE H 82 44.785 51.976 66.669 1.00 18.14 ATOM 5017 O ILE H 82 45.065 51.473 67.759 1.00 21.88 ATOM 5012 CB ILE H 82 43.717 54.184 67.074 1.00 17.10 ATOM 5014 CG1 ILE H 82 42.434 54.872 66.621 1.00 17.26 ATOM 5013 CG2 ILE H 82 45.047 54.899 66.673 1.00 12.66 ATOM 5015 CD1 ILE H 82 42.353 56.264 67.196 1.00 21.74 ATOM 5018 N ASP H 83 45.567 51.853 65.616 1.00 17.81 ATOM 5020 CA ASP H 83 46.753 51.057 65.701 1.00 17.41 ATOM 5025 C ASP H 83 47.942 51.918 66.042 1.00 14.82 ATOM 5026 O ASP H 83 48.469 51.752 67.138 1.00 16.01 ATOM 5021 CB ASP H 83 46.919 50.320 64.387 1.00 20.91 ATOM 5022 CG ASP H 83 48.037 49.290 64.331 1.00 25.07 ATOM 5023 OD1 ASP H 83 48.231 48.509 65.272 1.00 28.87 ATOM 5024 OD2 ASP H 83 48.696 49.279 63.300 1.00 26.51 ATOM 5027 N LYS H 84 48.378 52.847 65.224 1.00 13.36 ATOM 5029 CA LYS H 84 49.543 53.633 65.521 1.00 15.30 ATOM 5038 C LYS H 84 49.217 55.086 65.300 1.00 16.52 ATOM 5039 O LYS H 84 48.336 55.357 64.494 1.00 16.92 ATOM 5030 CB LYS H 84 50.685 53.307 64.603 1.00 17.75 ATOM 5031 CG LYS H 84 51.330 51.967 64.844 1.00 23.44 ATOM 5032 CD LYS H 84 52.150 51.647 63.619 1.00 28.90 ATOM 5033 CE LYS H 84 52.581 50.173 63.614 1.00 34.97 ATOM 5034 NZ LYS H 84 53.735 49.968 64.486 1.00 39.87 ATOM 5040 N LEU H 85 49.903 55.996 65.982 1.00 16.06 ATOM 5042 CA LEU H 85 49.820 57.421 65.743 1.00 15.95 ATOM 5047 C LEU H 85 51.250 57.899 65.395 1.00 16.41 ATOM 5048 O LEU H 85 52.207 57.346 65.952 1.00 15.26 ATOM 5043 CB LEU H 85 49.322 58.116 67.001 1.00 13.86 ATOM 5044 CG LEU H 85 47.934 57.791 67.488 1.00 14.35 ATOM 5045 CD1 LEU H 85 47.812 58.298 68.885 1.00 18.01 ATOM 5046 CD2 LEU H 85 46.868 58.482 66.664 1.00 13.18 ATOM 5049 N CYS H 86 51.427 58.834 64.429 1.00 16.24 ATOM 5051 CA CYS H 86 52.685 59.522 64.118 1.00 13.22 ATOM 5052 C CYS H 86 52.441 60.894 64.727 1.00 13.37 ATOM 5053 O CYS H 86 51.434 61.526 64.392 1.00 12.96 ATOM 5054 CB CYS H 86 52.932 59.714 62.629 1.00 12.68 ATOM 5055 SG CYS H 86 54.357 60.773 62.272 1.00 16.34 ATOM 5056 N VAL H 87 53.253 61.409 65.661 1.00 15.11 ATOM 5058 CA VAL H 87 52.962 62.684 66.299 1.00 15.56 ATOM 5062 C VAL H 87 54.222 63.528 66.322 1.00 16.51 ATOM 5063 O VAL H 87 55.339 63.014 66.304 1.00 17.42 ATOM 5059 CB VAL H 87 52.432 62.493 67.786 1.00 12.46 ATOM 5060 CG1 VAL H 87 51.190 61.595 67.814 1.00 7.11 ATOM 5061 CG2 VAL H 87 53.510 61.875 68.655 1.00 10.43 ATOM 5064 N TRP H 88 54.041 64.830 66.293 1.00 15.92 ATOM 5066 CA TRP H 88 55.122 65.774 66.494 1.00 18.75 ATOM 5078 C TRP H 88 55.283 65.888 67.993 1.00 18.71 ATOM 5079 O TRP H 88 54.309 66.084 68.721 1.00 16.78 ATOM 5067 CB TRP H 88 54.772 67.119 65.924 1.00 18.95 ATOM 5068 CG TRP H 88 54.781 67.061 64.400 1.00 21.23 ATOM 5072 CD1 TRP H 88 55.977 66.996 63.734 1.00 21.97 ATOM 5069 CD2 TRP H 88 53.685 67.143 63.551 1.00 22.82 ATOM 5073 NE1 TRP H 88 55.646 67.054 62.470 1.00 24.62 ATOM 5070 CE2 TRP H 88 54.304 67.141 62.309 1.00 23.85 ATOM 5071 CE3 TRP H 88 52.294 67.231 63.614 1.00 22.82 ATOM 5075 CZ2 TRP H 88 53.543 67.233 61.145 1.00 22.12 ATOM 5076 CZ3 TRP H 88 51.542 67.324 62.448 1.00 22.17 ATOM 5077 CH2 TRP H 88 52.163 67.326 61.217 1.00 20.23 ATOM 5080 N ASN H 89 56.489 65.717 68.494 1.00 19.49 ATOM 5082 CA ASN H 89 56.714 65.672 69.934 1.00 21.51 ATOM 5089 C ASN H 89 57.251 66.961 70.531 1.00 22.49 ATOM 5090 O ASN H 89 57.694 67.004 71.670 1.00 23.90 ATOM 5083 CB ASN H 89 57.670 64.508 70.277 1.00 20.69 ATOM 5084 CG ASN H 89 59.029 64.546 69.617 1.00 22.15 ATOM 5085 OD1 ASN H 89 59.515 65.530 69.061 1.00 22.11 ATOM 5086 ND2 ASN H 89 59.696 63.426 69.642 1.00 24.82 ATOM 5091 N ASN H 90 57.179 68.055 69.779 1.00 21.91 ATOM 5093 CA ASN H 90 57.642 69.359 70.221 1.00 20.86 ATOM 5100 C ASN H 90 56.429 70.248 70.460 1.00 18.28 ATOM 5101 O ASN H 90 56.455 71.475 70.338 1.00 20.14 ATOM 5094 CB ASN H 90 58.564 69.968 69.157 1.00 21.36 ATOM 5095 CG ASN H 90 57.883 70.171 67.815 1.00 25.82 ATOM 5096 OD1 ASN H 90 56.974 69.415 67.434 1.00 26.28 ATOM 5097 ND2 ASN H 90 58.305 71.177 67.048 1.00 24.65 ATOM 5102 N LYS H 91 55.348 69.608 70.878 1.00 15.96 ATOM 5104 CA LYS H 91 54.092 70.240 71.175 1.00 16.35 ATOM 5113 C LYS H 91 53.571 69.505 72.410 1.00 15.85 ATOM 5114 O LYS H 91 53.825 68.303 72.599 1.00 14.51 ATOM 5105 CB LYS H 91 53.087 70.092 69.975 1.00 16.69 ATOM 5106 CG LYS H 91 53.469 70.919 68.725 1.00 16.79 ATOM 5107 CD LYS H 91 53.206 72.402 69.008 1.00 20.03 ATOM 5108 CE LYS H 91 53.974 73.450 68.198 1.00 21.28 ATOM 5109 NZ LYS H 91 53.747 73.336 66.773 1.00 22.69 ATOM 5115 N THR H 92 52.855 70.254 73.258 1.00 15.17 ATOM 5117 CA THR H 92 52.146 69.726 74.405 1.00 16.92 ATOM 5122 C THR H 92 50.661 70.002 74.249 1.00 14.03 ATOM 5123 O THR H 92 50.327 71.174 74.023 1.00 15.83 ATOM 5118 CB THR H 92 52.487 70.372 75.703 1.00 18.74 ATOM 5119 OG1 THR H 92 53.865 70.408 75.871 1.00 29.27 ATOM 5121 CG2 THR H 92 52.079 69.496 76.810 1.00 16.29 ATOM 5124 N PRO H 93 49.709 69.062 74.339 1.00 11.88 ATOM 5126 CA PRO H 93 49.897 67.642 74.083 1.00 11.95 ATOM 5129 C PRO H 93 50.579 67.403 72.730 1.00 13.38 ATOM 5130 O PRO H 93 50.496 68.275 71.873 1.00 17.32 ATOM 5127 CB PRO H 93 48.506 67.081 74.119 1.00 12.53 ATOM 5128 CG PRO H 93 47.698 68.039 74.897 1.00 9.50 ATOM 5125 CD PRO H 93 48.286 69.378 74.482 1.00 10.70 ATOM 5131 N ASN H 94 51.248 66.306 72.455 1.00 13.43 ATOM 5133 CA ASN H 94 51.865 66.025 71.152 1.00 16.43 ATOM 5140 C ASN H 94 50.831 66.118 70.013 1.00 15.45 ATOM 5141 O ASN H 94 49.652 65.840 70.295 1.00 14.76 ATOM 5134 CB ASN H 94 52.509 64.619 71.207 1.00 14.34 ATOM 5135 CG ASN H 94 53.734 64.505 72.113 1.00 15.21 ATOM 5136 OD1 ASN H 94 54.163 63.393 72.365 1.00 16.40 ATOM 5137 ND2 ASN H 94 54.398 65.509 72.675 1.00 11.12 ATOM 5142 N SER H 95 51.169 66.623 68.793 1.00 16.05 ATOM 5144 CA SER H 95 50.178 66.773 67.726 1.00 15.32 ATOM 5148 C SER H 95 50.183 65.553 66.846 1.00 12.99 ATOM 5149 O SER H 95 51.222 65.140 66.348 1.00 11.06 ATOM 5145 CB SER H 95 50.383 67.850 66.649 1.00 14.62 ATOM 5146 OG SER H 95 50.835 68.988 67.240 1.00 22.32 ATOM 5150 N ILE H 96 48.981 65.078 66.558 1.00 14.45 ATOM 5152 CA ILE H 96 48.767 64.016 65.588 1.00 11.76 ATOM 5157 C ILE H 96 49.150 64.481 64.181 1.00 9.72 ATOM 5158 O ILE H 96 48.638 65.494 63.714 1.00 9.43 ATOM 5153 CB ILE H 96 47.293 63.623 65.684 1.00 10.16 ATOM 5155 CG1 ILE H 96 47.019 63.147 67.121 1.00 8.79 ATOM 5154 CG2 ILE H 96 46.974 62.558 64.637 1.00 10.44 ATOM 5156 CD1 ILE H 96 45.534 62.897 67.345 1.00 10.47 ATOM 5159 N ALA H 97 50.129 63.822 63.573 1.00 11.64 ATOM 5161 CA ALA H 97 50.486 63.977 62.175 1.00 9.83 ATOM 5163 C ALA H 97 49.715 62.942 61.303 1.00 10.86 ATOM 5164 O ALA H 97 49.208 63.247 60.208 1.00 11.10 ATOM 5162 CB ALA H 97 51.997 63.758 62.007 1.00 6.95 ATOM 5165 N ALA H 98 49.553 61.693 61.734 1.00 8.50 ATOM 5167 CA ALA H 98 48.886 60.684 60.924 1.00 9.18 ATOM 5169 C ALA H 98 48.360 59.604 61.840 1.00 11.23 ATOM 5170 O ALA H 98 48.864 59.458 62.965 1.00 9.47 ATOM 5168 CB ALA H 98 49.846 60.023 59.934 1.00 4.96 ATOM 5171 N ILE H 99 47.374 58.853 61.364 1.00 11.88 ATOM 5173 CA ILE H 99 46.738 57.814 62.137 1.00 13.55 ATOM 5178 C ILE H 99 46.605 56.543 61.281 1.00 14.98 ATOM 5179 O ILE H 99 46.454 56.675 60.069 1.00 12.88 ATOM 5174 CB ILE H 99 45.383 58.365 62.577 1.00 16.17 ATOM 5176 CG1 ILE H 99 44.860 57.456 63.652 1.00 22.49 ATOM 5175 CG2 ILE H 99 44.354 58.387 61.424 1.00 14.89 ATOM 5177 CD1 ILE H 99 43.556 58.016 64.261 1.00 28.13 ATOM 5180 N SER H 100 46.704 55.338 61.822 1.00 11.77 ATOM 5182 CA SER H 100 46.463 54.124 61.093 1.00 15.18 ATOM 5186 C SER H 100 45.521 53.313 61.952 1.00 17.85 ATOM 5187 O SER H 100 45.631 53.343 63.184 1.00 16.06 ATOM 5183 CB SER H 100 47.732 53.298 60.879 1.00 15.13 ATOM 5184 OG SER H 100 48.428 53.101 62.102 1.00 20.96 ATOM 5188 N MET H 101 44.613 52.580 61.292 1.00 22.60 ATOM 5190 CA MET H 101 43.641 51.656 61.864 1.00 22.10 ATOM 5195 C MET H 101 43.813 50.317 61.170 1.00 22.34 ATOM 5196 O MET H 101 44.080 50.312 59.963 1.00 19.13 ATOM 5191 CB MET H 101 42.255 52.148 61.617 1.00 22.00 ATOM 5192 CG MET H 101 41.937 53.163 62.644 1.00 26.28 ATOM 5193 SD MET H 101 40.637 54.165 61.941 1.00 33.15 ATOM 5194 CE MET H 101 41.525 55.675 62.170 1.00 31.21 ATOM 5197 N LYS H 102 43.676 49.215 61.901 1.00 23.35 ATOM 5199 CA LYS H 102 43.827 47.893 61.351 1.00 29.09 ATOM 5208 C LYS H 102 42.673 47.028 61.827 1.00 32.83 ATOM 5209 O LYS H 102 42.403 46.995 63.030 1.00 29.40 ATOM 5200 CB LYS H 102 45.110 47.301 61.825 1.00 30.64 ATOM 5201 CG LYS H 102 45.397 46.168 60.932 1.00 35.49 ATOM 5202 CD LYS H 102 46.403 45.157 61.417 1.00 41.52 ATOM 5203 CE LYS H 102 47.752 45.759 61.630 1.00 47.32 ATOM 5204 NZ LYS H 102 47.845 46.077 63.042 1.00 54.58 ATOM 5210 N ASN H 103 42.156 46.321 60.807 1.00 40.35 ATOM 5212 CA ASN H 103 41.024 45.392 60.672 1.00 47.99 ATOM 5219 C ASN H 103 39.619 45.993 60.615 1.00 54.16 ATOM 5220 O ASN H 103 38.925 45.727 59.628 1.00 55.56 ATOM 5213 CB ASN H 103 40.992 44.340 61.762 1.00 50.25 ATOM 5214 CG ASN H 103 41.995 43.265 61.432 1.00 51.85 ATOM 5215 OD1 ASN H 103 41.845 42.433 60.535 1.00 54.02 ATOM 5216 ND2 ASN H 103 43.098 43.301 62.162 1.00 51.84 ATOM 5221 OXT ASN H 103 39.244 46.773 61.505 1.00 59.27 TER ASN H 103 ATOM 5256 N ASN A 1 3.393 40.031 74.790 1.00107.72 ATOM 5258 CA ASN A 1 4.291 39.416 75.758 1.00107.89 ATOM 5252 C ASN A 1 5.291 40.519 76.079 1.00104.53 ATOM 5253 O ASN A 1 5.382 41.460 75.267 1.00104.99 ATOM 5246 CB ASN A 1 5.108 38.199 75.217 1.00110.40 ATOM 5247 CG ASN A 1 5.746 37.416 76.377 1.00111.93 ATOM 5248 OD1 ASN A 1 5.007 36.942 77.237 1.00112.75 ATOM 5249 ND2 ASN A 1 7.058 37.299 76.552 1.00111.63 ATOM 5259 N GLY A 2 5.967 40.416 77.244 1.00 98.85 ATOM 5261 CA GLY A 2 7.014 41.322 77.684 1.00 91.23 ATOM 5262 C GLY A 2 8.089 41.337 76.607 1.00 85.56 ATOM 5263 O GLY A 2 8.366 40.323 75.950 1.00 87.89 ATOM 5264 N ASP A 3 8.688 42.499 76.430 1.00 76.62 ATOM 5266 CA ASP A 3 9.619 42.683 75.351 1.00 66.82 ATOM 5271 C ASP A 3 10.982 42.055 75.474 1.00 54.68 ATOM 5272 O ASP A 3 11.885 42.540 74.771 1.00 56.37 ATOM 5267 CB ASP A 3 9.766 44.181 75.103 1.00 73.50 ATOM 5268 CG ASP A 3 8.571 44.811 74.398 1.00 79.11 ATOM 5269 OD1 ASP A 3 7.842 44.103 73.682 1.00 81.23 ATOM 5270 OD2 ASP A 3 8.391 46.023 74.564 1.00 81.43 ATOM 5273 N ARG A 4 11.198 41.025 76.306 1.00 38.74 ATOM 5275 CA ARG A 4 12.505 40.410 76.300 1.00 27.46 ATOM 5288 C ARG A 4 12.342 38.946 76.107 1.00 19.87 ATOM 5289 O ARG A 4 11.339 38.410 76.532 1.00 21.00 ATOM 5276 CB ARG A 4 13.270 40.568 77.564 1.00 26.49 ATOM 5277 CG ARG A 4 13.644 41.973 77.985 1.00 28.83 ATOM 5278 CD ARG A 4 14.411 42.796 76.979 1.00 33.51 ATOM 5279 NE ARG A 4 14.625 44.120 77.550 1.00 39.49 ATOM 5281 CZ ARG A 4 14.811 45.215 76.792 1.00 43.85 ATOM 5282 NH1 ARG A 4 14.828 45.189 75.439 1.00 43.20 ATOM 5285 NH2 ARG A 4 14.966 46.375 77.434 1.00 44.69 ATOM 5290 N LEU A 5 13.313 38.327 75.470 1.00 15.57 ATOM 5292 CA LEU A 5 13.363 36.914 75.203 1.00 14.26 ATOM 5297 C LEU A 5 14.690 36.467 75.757 1.00 11.67 ATOM 5298 O LEU A 5 15.580 37.281 76.010 1.00 12.26 ATOM 5293 CB LEU A 5 13.286 36.643 73.709 1.00 12.25 ATOM 5294 CG LEU A 5 11.928 36.983 73.118 1.00 11.19 ATOM 5295 CD1 LEU A 5 12.075 37.095 71.623 1.00 10.82 ATOM 5296 CD2 LEU A 5 10.906 35.968 73.550 1.00 7.98 ATOM 5299 N TYR A 6 14.802 35.173 76.010 1.00 11.86 ATOM 5301 CA TYR A 6 15.917 34.604 76.739 1.00 12.17 ATOM 5311 C TYR A 6 16.539 33.368 76.118 1.00 12.58 ATOM 5312 O TYR A 6 15.828 32.489 75.633 1.00 13.93 ATOM 5302 CB TYR A 6 15.452 34.264 78.163 1.00 11.10 ATOM 5303 CG TYR A 6 14.948 35.488 78.928 1.00 11.18 ATOM 5304 CD1 TYR A 6 13.635 35.871 78.800 1.00 12.05 ATOM 5306 CD2 TYR A 6 15.801 36.215 79.719 1.00 13.51 ATOM 5305 CE1 TYR A 6 13.166 36.975 79.455 1.00 11.66 ATOM 5307 CE2 TYR A 6 15.349 37.326 80.377 1.00 14.24 ATOM 5308 CZ TYR A 6 14.033 37.679 80.223 1.00 14.28 ATOM 5309 OH TYR A 6 13.562 38.803 80.840 1.00 18.91 ATOM 5313 N ARG A 7 17.863 33.236 76.121 1.00 14.44 ATOM 5315 CA ARG A 7 18.499 32.055 75.549 1.00 14.00 ATOM 5328 C ARG A 7 19.766 31.692 76.307 1.00 12.80 ATOM 5329 O ARG A 7 20.663 32.526 76.381 1.00 10.86 ATOM 5316 CB ARG A 7 18.917 32.262 74.096 1.00 12.45 ATOM 5317 CG ARG A 7 19.571 31.000 73.513 1.00 13.53 ATOM 5318 CD ARG A 7 20.114 31.289 72.124 1.00 14.13 ATOM 5319 NE ARG A 7 21.001 30.231 71.693 1.00 13.48 ATOM 5321 CZ ARG A 7 20.631 29.106 71.070 1.00 13.86 ATOM 5322 NH1 ARG A 7 19.361 28.836 70.761 1.00 11.08 ATOM 5325 NH2 ARG A 7 21.595 28.235 70.763 1.00 13.41 ATOM 5330 N ALA A 8 19.818 30.458 76.830 1.00 12.10 ATOM 5332 CA ALA A 8 20.998 29.885 77.474 1.00 14.71 ATOM 5334 C ALA A 8 22.010 29.463 76.366 1.00 16.64 ATOM 5335 O ALA A 8 21.629 28.770 75.401 1.00 16.61 ATOM 5333 CB ALA A 8 20.580 28.652 78.286 1.00 13.16 ATOM 5336 N ASP A 9 23.300 29.821 76.419 1.00 14.91 ATOM 5338 CA ASP A 9 24.228 29.495 75.369 1.00 17.11 ATOM 5343 C ASP A 9 25.643 29.403 75.933 1.00 19.12 ATOM 5344 O ASP A 9 26.032 30.259 76.731 1.00 20.73 ATOM 5339 CB ASP A 9 24.118 30.596 74.287 1.00 19.35 ATOM 5340 CG ASP A 9 24.611 30.141 72.913 1.00 20.80 ATOM 5341 OD1 ASP A 9 25.808 29.988 72.737 1.00 21.43 ATOM 5342 OD2 ASP A 9 23.818 29.913 72.011 1.00 20.83 ATOM 5345 N SER A 10 26.479 28.427 75.570 1.00 19.35 ATOM 5347 CA SER A 10 27.832 28.338 76.114 1.00 22.16 ATOM 5351 C SER A 10 28.843 29.286 75.498 1.00 21.33 ATOM 5352 O SER A 10 29.977 29.433 75.961 1.00 24.13 ATOM 5348 CB SER A 10 28.363 26.922 75.958 1.00 25.35 ATOM 5349 OG SER A 10 28.229 26.427 74.634 1.00 30.50 ATOM 5353 N ARG A 11 28.423 29.926 74.413 1.00 20.47 ATOM 5355 CA ARG A 11 29.264 30.850 73.675 1.00 20.03 ATOM 5368 C ARG A 11 29.269 32.179 74.441 1.00 19.43 ATOM 5369 O ARG A 11 28.219 32.712 74.803 1.00 20.71 ATOM 5356 CB ARG A 11 28.721 31.026 72.229 1.00 17.35 ATOM 5357 CG ARG A 11 28.827 29.762 71.393 1.00 16.36 ATOM 5358 CD ARG A 11 28.240 29.921 69.991 1.00 16.10 ATOM 5359 NE ARG A 11 26.796 30.039 70.012 1.00 17.80 ATOM 5361 CZ ARG A 11 26.027 30.055 68.935 1.00 18.46 ATOM 5362 NH1 ARG A 11 26.521 29.959 67.715 1.00 20.25 ATOM 5365 NH2 ARG A 11 24.722 30.206 69.090 1.00 20.12 ATOM 5370 N PRO A 12 30.451 32.665 74.766 1.00 19.71 ATOM 5372 CA PRO A 12 30.686 33.806 75.600 1.00 21.26 ATOM 5375 C PRO A 12 30.572 35.127 74.871 1.00 23.55 ATOM 5376 O PRO A 12 30.776 35.200 73.653 1.00 25.19 ATOM 5373 CB PRO A 12 32.081 33.519 76.161 1.00 22.92 ATOM 5374 CG PRO A 12 32.820 32.932 74.996 1.00 22.98 ATOM 5371 CD PRO A 12 31.724 31.979 74.502 1.00 23.22 ATOM 5377 N PRO A 13 30.375 36.219 75.599 1.00 25.36 ATOM 5379 CA PRO A 13 30.135 37.562 75.073 1.00 27.06 ATOM 5382 C PRO A 13 31.055 38.112 73.984 1.00 27.40 ATOM 5383 O PRO A 13 30.625 38.654 72.962 1.00 25.16 ATOM 5380 CB PRO A 13 30.112 38.383 76.355 1.00 24.33 ATOM 5381 CG PRO A 13 29.303 37.477 77.204 1.00 22.97 ATOM 5378 CD PRO A 13 30.070 36.208 77.017 1.00 23.95 ATOM 5384 N ASP A 14 32.353 37.996 74.181 1.00 28.70 ATOM 5386 CA ASP A 14 33.289 38.464 73.172 1.00 33.57 ATOM 5391 C ASP A 14 33.313 37.599 71.896 1.00 31.16 ATOM 5392 O ASP A 14 33.579 38.101 70.813 1.00 32.18 ATOM 5387 CB ASP A 14 34.663 38.574 73.855 1.00 40.85 ATOM 5388 CG ASP A 14 35.150 37.317 74.566 1.00 46.84 ATOM 5389 OD1 ASP A 14 34.469 36.803 75.464 1.00 48.71 ATOM 5390 OD2 ASP A 14 36.237 36.857 74.214 1.00 51.90 ATOM 5393 N GLU A 15 32.928 36.324 71.904 1.00 28.55 ATOM 5395 CA GLU A 15 32.873 35.498 70.705 1.00 27.14 ATOM 5401 C GLU A 15 31.658 35.952 69.938 1.00 25.96 ATOM 5402 O GLU A 15 31.764 36.221 68.761 1.00 27.99 ATOM 5396 CB GLU A 15 32.697 34.040 71.044 1.00 28.86 ATOM 5397 CG GLU A 15 32.740 33.179 69.797 1.00 33.19 ATOM 5398 CD GLU A 15 32.305 31.746 70.036 1.00 36.86 ATOM 5399 OE1 GLU A 15 32.739 31.141 71.029 1.00 38.19 ATOM 5400 OE2 GLU A 15 31.537 31.236 69.213 1.00 37.49 ATOM 5403 N ILE A 16 30.507 36.051 70.601 1.00 26.35 ATOM 5405 CA ILE A 16 29.275 36.617 70.064 1.00 25.76 ATOM 5410 C ILE A 16 29.557 37.982 69.420 1.00 23.13 ATOM 5411 O ILE A 16 29.027 38.287 68.347 1.00 20.25 ATOM 5406 CB ILE A 16 28.221 36.716 71.240 1.00 25.12 ATOM 5408 CG1 ILE A 16 27.773 35.330 71.606 1.00 26.21 ATOM 5407 CG2 ILE A 16 27.023 37.524 70.865 1.00 27.30 ATOM 5409 CD1 ILE A 16 27.514 34.404 70.403 1.00 26.43 ATOM 5412 N LYS A 17 30.403 38.792 70.053 1.00 23.18 ATOM 5414 CA LYS A 17 30.818 40.081 69.527 1.00 25.77 ATOM 5423 C LYS A 17 31.572 39.854 68.222 1.00 25.09 ATOM 5424 O LYS A 17 31.310 40.570 67.262 1.00 23.47 ATOM 5415 CB LYS A 17 31.703 40.749 70.551 1.00 29.11 ATOM 5416 CG LYS A 17 31.568 42.238 70.692 1.00 35.22 ATOM 5417 CD LYS A 17 32.527 43.065 69.894 1.00 42.47 ATOM 5418 CE LYS A 17 31.813 44.153 69.109 1.00 48.18 ATOM 5419 NZ LYS A 17 30.904 43.559 68.130 1.00 53.46 ATOM 5425 N ARG A 18 32.449 38.850 68.119 1.00 26.57 ATOM 5427 CA ARG A 18 33.182 38.572 66.887 1.00 29.87 ATOM 5440 C ARG A 18 32.309 38.014 65.785 1.00 27.46 ATOM 5441 O ARG A 18 32.475 38.420 64.636 1.00 26.39 ATOM 5428 CB ARG A 18 34.316 37.590 67.130 1.00 34.57 ATOM 5429 CG ARG A 18 35.446 38.253 67.947 1.00 42.90 ATOM 5430 CD ARG A 18 36.695 37.357 68.040 1.00 49.10 ATOM 5431 NE ARG A 18 36.423 36.024 68.598 1.00 54.08 ATOM 5433 CZ ARG A 18 36.720 35.700 69.872 1.00 56.31 ATOM 5434 NH1 ARG A 18 37.294 36.590 70.701 1.00 56.73 ATOM 5437 NH2 ARG A 18 36.386 34.482 70.340 1.00 56.85 ATOM 5442 N SER A 19 31.371 37.110 66.100 1.00 23.27 ATOM 5444 CA SER A 19 30.419 36.594 65.145 1.00 21.10 ATOM 5448 C SER A 19 29.372 37.623 64.713 1.00 21.17 ATOM 5449 O SER A 19 28.656 37.388 63.722 1.00 21.26 ATOM 5445 CB SER A 19 29.691 35.397 65.728 1.00 24.00 ATOM 5446 OG SER A 19 30.635 34.367 65.981 1.00 31.34 ATOM 5450 N GLY A 20 29.239 38.770 65.392 1.00 15.34 ATOM 5452 CA GLY A 20 28.225 39.739 65.050 1.00 13.85 ATOM 5453 C GLY A 20 26.905 39.361 65.678 1.00 14.56 ATOM 5454 O GLY A 20 25.871 39.915 65.305 1.00 17.05 ATOM 5455 N GLY A 21 26.865 38.433 66.624 1.00 14.41 ATOM 5457 CA GLY A 21 25.619 38.083 67.273 1.00 16.07 ATOM 5458 C GLY A 21 25.576 36.605 67.522 1.00 14.54 ATOM 5459 O GLY A 21 26.610 35.968 67.384 1.00 15.33 ATOM 5460 N LEU A 22 24.399 36.111 67.890 1.00 15.54 ATOM 5462 CA LEU A 22 24.125 34.694 68.150 1.00 16.68 ATOM 5467 C LEU A 22 23.727 34.002 66.844 1.00 17.16 ATOM 5468 O LEU A 22 22.591 34.155 66.346 1.00 17.03 ATOM 5463 CB LEU A 22 22.980 34.553 69.165 1.00 13.71 ATOM 5464 CG LEU A 22 23.374 34.777 70.601 1.00 15.33 ATOM 5465 CD1 LEU A 22 22.157 35.088 71.442 1.00 17.21 ATOM 5466 CD2 LEU A 22 24.018 33.512 71.133 1.00 14.96 ATOM 5469 N MET A 23 24.643 33.226 66.310 1.00 13.60 ATOM 5471 CA MET A 23 24.498 32.679 64.987 1.00 15.01 ATOM 5476 C MET A 23 23.927 31.295 64.993 1.00 15.74 ATOM 5477 O MET A 23 24.196 30.553 65.946 1.00 16.26 ATOM 5472 CB MET A 23 25.856 32.651 64.326 1.00 17.26 ATOM 5473 CG MET A 23 26.472 34.025 64.155 1.00 20.39 ATOM 5474 SD MET A 23 25.329 34.913 63.076 1.00 21.17 ATOM 5475 CE MET A 23 24.878 36.311 64.049 1.00 20.00 ATOM 5478 N PRO A 24 23.173 30.868 63.962 1.00 15.80 ATOM 5480 CA PRO A 24 22.814 29.468 63.814 1.00 14.52 ATOM 5483 C PRO A 24 24.011 28.632 63.431 1.00 16.99 ATOM 5484 O PRO A 24 25.083 29.146 63.060 1.00 16.74 ATOM 5481 CB PRO A 24 21.717 29.464 62.786 1.00 13.81 ATOM 5482 CG PRO A 24 21.952 30.716 61.987 1.00 15.18 ATOM 5479 CD PRO A 24 22.514 31.720 62.973 1.00 13.98 ATOM 5485 N ARG A 25 23.836 27.321 63.520 1.00 21.53 ATOM 5487 CA ARG A 25 24.890 26.368 63.227 1.00 26.62 ATOM 5500 C ARG A 25 25.432 26.530 61.825 1.00 29.01 ATOM 5501 O ARG A 25 24.678 26.664 60.848 1.00 29.78 ATOM 5488 CB ARG A 25 24.366 24.989 63.383 1.00 30.80 ATOM 5489 CG ARG A 25 25.462 23.981 63.510 1.00 37.60 ATOM 5490 CD ARG A 25 24.706 22.728 63.889 1.00 45.91 ATOM 5491 NE ARG A 25 25.391 21.512 63.496 1.00 55.46 ATOM 5493 CZ ARG A 25 25.690 21.211 62.209 1.00 61.75 ATOM 5494 NH1 ARG A 25 25.402 21.994 61.140 1.00 63.05 ATOM 5497 NH2 ARG A 25 26.295 20.044 61.982 1.00 64.70 ATOM 5502 N GLY A 26 26.755 26.608 61.826 1.00 31.01 ATOM 5504 CA GLY A 26 27.557 26.748 60.633 1.00 34.69 ATOM 5505 C GLY A 26 27.579 28.123 60.000 1.00 38.46 ATOM 5506 O GLY A 26 27.998 28.279 58.844 1.00 42.42 ATOM 5507 N HIS A 27 27.144 29.174 60.668 1.00 38.49 ATOM 5509 CA HIS A 27 27.199 30.480 60.060 1.00 39.76 ATOM 5518 C HIS A 27 28.142 31.211 61.013 1.00 40.20 ATOM 5519 O HIS A 27 27.998 31.153 62.234 1.00 40.69 ATOM 5510 CB HIS A 27 25.774 31.027 60.004 1.00 40.84 ATOM 5511 CG HIS A 27 25.652 32.167 59.016 1.00 43.89 ATOM 5513 ND1 HIS A 27 26.055 32.210 57.745 1.00 46.83 ATOM 5512 CD2 HIS A 27 25.109 33.388 59.335 1.00 45.20 ATOM 5515 CE1 HIS A 27 25.779 33.416 57.304 1.00 47.13 ATOM 5516 NE2 HIS A 27 25.210 34.112 58.258 1.00 46.61 ATOM 5520 N ASN A 28 29.174 31.865 60.495 1.00 40.78 ATOM 5522 CA ASN A 28 30.175 32.441 61.376 1.00 41.99 ATOM 5529 C ASN A 28 30.167 33.927 61.590 1.00 36.78 ATOM 5530 O ASN A 28 30.728 34.354 62.596 1.00 36.82 ATOM 5523 CB ASN A 28 31.583 32.034 60.898 1.00 50.07 ATOM 5524 CG ASN A 28 31.749 30.519 60.961 1.00 57.29 ATOM 5525 OD1 ASN A 28 31.647 29.904 62.033 1.00 60.49 ATOM 5526 ND2 ASN A 28 31.952 29.869 59.807 1.00 58.48 ATOM 5531 N GLU A 29 29.614 34.696 60.651 1.00 34.34 ATOM 5533 CA GLU A 29 29.495 36.144 60.725 1.00 34.06 ATOM 5539 C GLU A 29 28.063 36.431 60.306 1.00 29.06 ATOM 5540 O GLU A 29 27.564 35.784 59.367 1.00 25.67 ATOM 5534 CB GLU A 29 30.344 36.881 59.739 1.00 41.25 ATOM 5535 CG GLU A 29 31.858 36.863 59.817 1.00 51.25 ATOM 5536 CD GLU A 29 32.482 37.403 58.522 1.00 57.88 ATOM 5537 OE1 GLU A 29 32.184 38.551 58.136 1.00 60.86 ATOM 5538 OE2 GLU A 29 33.248 36.654 57.897 1.00 60.48 ATOM 5541 N TYR A 30 27.421 37.409 60.958 1.00 23.07 ATOM 5543 CA TYR A 30 26.030 37.704 60.697 1.00 20.68 ATOM 5553 C TYR A 30 25.795 38.138 59.267 1.00 21.45 ATOM 5554 O TYR A 30 24.811 37.745 58.626 1.00 18.92 ATOM 5544 CB TYR A 30 25.527 38.815 61.632 1.00 18.19 ATOM 5545 CG TYR A 30 24.034 39.099 61.507 1.00 16.49 ATOM 5546 CD1 TYR A 30 23.101 38.104 61.749 1.00 18.05 ATOM 5548 CD2 TYR A 30 23.582 40.331 61.097 1.00 15.16 ATOM 5547 CE1 TYR A 30 21.735 38.332 61.568 1.00 17.91 ATOM 5549 CE2 TYR A 30 22.221 40.567 60.916 1.00 14.68 ATOM 5550 CZ TYR A 30 21.298 39.566 61.147 1.00 15.91 ATOM 5551 OH TYR A 30 19.949 39.783 60.961 1.00 14.58 ATOM 5555 N PHE A 31 26.694 38.990 58.772 1.00 21.92 ATOM 5557 CA PHE A 31 26.489 39.516 57.445 1.00 22.18 ATOM 5565 C PHE A 31 27.090 38.708 56.314 1.00 24.56 ATOM 5566 O PHE A 31 27.003 39.108 55.168 1.00 27.51 ATOM 5558 CB PHE A 31 26.993 40.956 57.465 1.00 19.16 ATOM 5559 CG PHE A 31 26.066 41.908 58.234 1.00 16.26 ATOM 5560 CD1 PHE A 31 24.695 41.923 57.992 1.00 15.34 ATOM 5561 CD2 PHE A 31 26.590 42.766 59.163 1.00 16.47 ATOM 5562 CE1 PHE A 31 23.870 42.781 58.662 1.00 14.39 ATOM 5563 CE2 PHE A 31 25.749 43.628 59.832 1.00 15.31 ATOM 5564 CZ PHE A 31 24.397 43.641 59.586 1.00 13.75 ATOM 5567 N ASP A 32 27.614 37.520 56.571 1.00 29.64 ATOM 5569 CA ASP A 32 28.215 36.686 55.554 1.00 36.37 ATOM 5574 C ASP A 32 27.165 36.026 54.677 1.00 38.20 ATOM 5575 O ASP A 32 26.302 35.264 55.099 1.00 36.07 ATOM 5570 CB ASP A 32 29.078 35.606 56.192 1.00 41.51 ATOM 5571 CG ASP A 32 30.047 35.002 55.187 1.00 47.46 ATOM 5572 OD1 ASP A 32 29.633 34.089 54.493 1.00 49.00 ATOM 5573 OD2 ASP A 32 31.198 35.443 55.074 1.00 51.56 ATOM 5576 N ARG A 33 27.319 36.339 53.404 1.00 42.93 ATOM 5578 CA ARG A 33 26.455 35.852 52.347 1.00 49.51 ATOM 5591 C ARG A 33 26.985 34.594 51.673 1.00 55.07 ATOM 5592 O ARG A 33 26.205 33.824 51.123 1.00 57.49 ATOM 5579 CB ARG A 33 26.292 36.916 51.264 1.00 50.10 ATOM 5580 CG ARG A 33 25.926 38.312 51.750 1.00 50.71 ATOM 5581 CD ARG A 33 24.435 38.402 52.002 1.00 51.32 ATOM 5582 NE ARG A 33 24.043 39.373 53.030 1.00 52.96 ATOM 5584 CZ ARG A 33 23.451 40.551 52.760 1.00 52.43 ATOM 5585 NH1 ARG A 33 23.184 40.915 51.496 1.00 52.79 ATOM 5588 NH2 ARG A 33 23.083 41.348 53.769 1.00 50.97 ATOM 5593 N GLY A 34 28.305 34.377 51.638 1.00 59.60 ATOM 5595 CA GLY A 34 28.888 33.228 50.952 1.00 64.61 ATOM 5596 C GLY A 34 28.617 31.895 51.649 1.00 69.08 ATOM 5597 O GLY A 34 28.486 30.848 51.019 1.00 70.01 ATOM 5598 N THR A 35 28.559 31.875 52.973 1.00 73.23 ATOM 5600 CA THR A 35 28.259 30.689 53.749 1.00 76.95 ATOM 5605 C THR A 35 26.748 30.603 53.660 1.00 76.86 ATOM 5606 O THR A 35 26.008 31.158 54.501 1.00 77.42 ATOM 5601 CB THR A 35 28.748 30.920 55.194 1.00 80.26 ATOM 5602 OG1 THR A 35 30.155 31.146 55.086 1.00 81.98 ATOM 5604 CG2 THR A 35 28.402 29.784 56.148 1.00 81.15 ATOM 5607 N GLN A 36 26.345 29.976 52.557 1.00 75.91 ATOM 5609 CA GLN A 36 24.937 29.816 52.295 1.00 76.61 ATOM 5617 C GLN A 36 24.445 28.669 53.178 1.00 70.25 ATOM 5618 O GLN A 36 25.000 27.559 53.224 1.00 70.54 ATOM 5610 CB GLN A 36 24.727 29.549 50.790 1.00 83.38 ATOM 5611 CG GLN A 36 23.397 30.145 50.265 1.00 90.47 ATOM 5612 CD GLN A 36 23.157 31.617 50.646 1.00 95.31 ATOM 5613 OE1 GLN A 36 22.355 31.938 51.537 1.00 97.04 ATOM 5614 NE2 GLN A 36 23.840 32.558 50.000 1.00 96.85 ATOM 5619 N MET A 37 23.396 29.064 53.906 1.00 60.33 ATOM 5621 CA MET A 37 22.800 28.322 55.003 1.00 49.44 ATOM 5626 C MET A 37 21.408 27.754 54.659 1.00 41.38 ATOM 5627 O MET A 37 20.649 28.412 53.932 1.00 38.14 ATOM 5622 CB MET A 37 22.848 29.371 56.127 1.00 47.12 ATOM 5623 CG MET A 37 22.157 29.167 57.447 1.00 46.45 ATOM 5624 SD MET A 37 22.296 30.712 58.366 1.00 45.56 ATOM 5625 CE MET A 37 21.082 31.739 57.602 1.00 40.05 ATOM 5628 N ASN A 38 21.005 26.552 55.118 1.00 35.98 ATOM 5630 CA ASN A 38 19.627 26.072 54.914 1.00 29.80 ATOM 5637 C ASN A 38 18.766 26.825 55.932 1.00 26.46 ATOM 5638 O ASN A 38 19.180 26.917 57.091 1.00 26.94 ATOM 5631 CB ASN A 38 19.460 24.571 55.192 1.00 27.08 ATOM 5632 CG ASN A 38 18.029 24.106 54.907 1.00 28.93 ATOM 5633 OD1 ASN A 38 17.298 23.511 55.722 1.00 26.83 ATOM 5634 ND2 ASN A 38 17.574 24.408 53.692 1.00 30.19 ATOM 5639 N ILE A 39 17.660 27.465 55.556 1.00 22.94 ATOM 5641 CA ILE A 39 16.808 28.171 56.503 1.00 19.98 ATOM 5646 C ILE A 39 15.463 27.522 56.341 1.00 17.59 ATOM 5647 O ILE A 39 14.882 27.668 55.260 1.00 16.50 ATOM 5642 CB ILE A 39 16.681 29.673 56.168 1.00 18.78 ATOM 5644 CG1 ILE A 39 18.049 30.311 56.021 1.00 17.28 ATOM 5643 CG2 ILE A 39 15.957 30.381 57.304 1.00 16.44 ATOM 5645 CD1 ILE A 39 17.951 31.713 55.408 1.00 17.04 ATOM 5648 N ASN A 40 14.979 26.796 57.351 1.00 15.68 ATOM 5650 CA ASN A 40 13.675 26.172 57.248 1.00 15.54 ATOM 5657 C ASN A 40 13.061 26.056 58.622 1.00 13.36 ATOM 5658 O ASN A 40 13.573 25.267 59.438 1.00 11.54 ATOM 5651 CB ASN A 40 13.764 24.754 56.654 1.00 19.73 ATOM 5652 CG ASN A 40 12.405 24.046 56.519 1.00 19.89 ATOM 5653 OD1 ASN A 40 11.701 23.719 57.474 1.00 21.07 ATOM 5654 ND2 ASN A 40 11.959 23.778 55.315 1.00 19.60 ATOM 5659 N LEU A 41 11.952 26.758 58.893 1.00 11.92 ATOM 5661 CA LEU A 41 11.371 26.722 60.249 1.00 15.56 ATOM 5666 C LEU A 41 10.946 25.352 60.800 1.00 16.72 ATOM 5667 O LEU A 41 11.267 24.986 61.940 1.00 16.13 ATOM 5662 CB LEU A 41 10.157 27.699 60.348 1.00 12.71 ATOM 5663 CG LEU A 41 9.561 27.912 61.744 1.00 11.47 ATOM 5664 CD1 LEU A 41 10.614 28.382 62.725 1.00 10.29 ATOM 5665 CD2 LEU A 41 8.480 28.947 61.665 1.00 10.96 ATOM 5668 N TYR A 42 10.315 24.551 59.966 1.00 16.98 ATOM 5670 CA TYR A 42 9.837 23.247 60.326 1.00 17.20 ATOM 5680 C TYR A 42 10.966 22.330 60.725 1.00 16.03 ATOM 5681 O TYR A 42 10.968 21.701 61.783 1.00 16.13 ATOM 5671 CB TYR A 42 9.086 22.723 59.133 1.00 21.01 ATOM 5672 CG TYR A 42 8.408 21.411 59.422 1.00 23.45 ATOM 5673 CD1 TYR A 42 7.344 21.359 60.299 1.00 23.55 ATOM 5675 CD2 TYR A 42 8.859 20.304 58.754 1.00 25.31 ATOM 5674 CE1 TYR A 42 6.699 20.170 60.515 1.00 24.99 ATOM 5676 CE2 TYR A 42 8.217 19.116 58.963 1.00 26.56 ATOM 5677 CZ TYR A 42 7.154 19.069 59.830 1.00 28.23 ATOM 5678 OH TYR A 42 6.537 17.851 59.991 1.00 34.38 ATOM 5682 N ASP A 43 11.989 22.272 59.904 1.00 18.79 ATOM 5684 CA ASP A 43 13.125 21.428 60.192 1.00 20.28 ATOM 5689 C ASP A 43 13.812 21.995 61.399 1.00 20.53 ATOM 5690 O ASP A 43 14.197 21.200 62.269 1.00 18.88 ATOM 5685 CB ASP A 43 14.100 21.391 59.023 1.00 24.54 ATOM 5686 CG ASP A 43 13.572 20.697 57.749 1.00 27.98 ATOM 5687 OD1 ASP A 43 12.564 19.982 57.782 1.00 27.52 ATOM 5688 OD2 ASP A 43 14.196 20.871 56.702 1.00 30.89 ATOM 5691 N HIS A 44 13.928 23.334 61.533 1.00 19.39 ATOM 5693 CA HIS A 44 14.518 23.891 62.752 1.00 16.80 ATOM 5702 C HIS A 44 13.737 23.463 63.993 1.00 15.10 ATOM 5703 O HIS A 44 14.364 22.985 64.926 1.00 15.01 ATOM 5694 CB HIS A 44 14.567 25.419 62.721 1.00 15.60 ATOM 5695 CG HIS A 44 14.932 26.076 64.067 1.00 14.23 ATOM 5697 ND1 HIS A 44 16.119 26.277 64.615 1.00 13.00 ATOM 5696 CD2 HIS A 44 13.994 26.588 64.956 1.00 13.06 ATOM 5699 CE1 HIS A 44 15.938 26.870 65.777 1.00 12.94 ATOM 5700 NE2 HIS A 44 14.654 27.052 65.971 1.00 13.80 ATOM 5704 N ALA A 45 12.421 23.543 64.082 1.00 15.65 ATOM 5706 CA ALA A 45 11.700 23.229 65.304 1.00 17.09 ATOM 5708 C ALA A 45 11.765 21.794 65.762 1.00 21.46 ATOM 5709 O ALA A 45 11.616 21.510 66.952 1.00 22.74 ATOM 5707 CB ALA A 45 10.261 23.596 65.112 1.00 16.70 ATOM 5710 N ARG A 46 11.969 20.889 64.803 1.00 27.24 ATOM 5712 CA ARG A 46 12.086 19.455 65.032 1.00 31.26 ATOM 5725 C ARG A 46 13.471 18.913 65.358 1.00 31.52 ATOM 5726 O ARG A 46 13.583 17.750 65.778 1.00 32.89 ATOM 5713 CB ARG A 46 11.624 18.667 63.823 1.00 35.52 ATOM 5714 CG ARG A 46 10.138 18.575 63.645 1.00 42.96 ATOM 5715 CD ARG A 46 9.819 17.590 62.563 1.00 50.36 ATOM 5716 NE ARG A 46 10.387 18.116 61.335 1.00 58.81 ATOM 5718 CZ ARG A 46 11.056 17.360 60.453 1.00 63.69 ATOM 5719 NH1 ARG A 46 11.236 16.047 60.650 1.00 66.46 ATOM 5722 NH2 ARG A 46 11.583 17.947 59.373 1.00 64.41 ATOM 5727 N GLY A 47 14.525 19.705 65.181 1.00 30.81 ATOM 5729 CA GLY A 47 15.871 19.197 65.351 1.00 33.73 ATOM 5730 C GLY A 47 16.338 19.268 66.780 1.00 37.94 ATOM 5731 O GLY A 47 15.754 19.998 67.564 1.00 38.61 ATOM 5732 N THR A 48 17.348 18.500 67.180 1.00 44.39 ATOM 5734 CA THR A 48 17.998 18.605 68.496 1.00 48.43 ATOM 5739 C THR A 48 19.491 18.560 68.255 1.00 51.21 ATOM 5740 O THR A 48 19.959 17.810 67.381 1.00 53.03 ATOM 5735 CB THR A 48 17.698 17.440 69.438 1.00 49.13 ATOM 5736 OG1 THR A 48 17.751 16.241 68.656 1.00 51.89 ATOM 5738 CG2 THR A 48 16.375 17.624 70.140 1.00 50.63 ATOM 5741 N GLN A 49 20.273 19.371 68.938 1.00 52.79 ATOM 5743 CA GLN A 49 21.720 19.279 68.807 1.00 53.12 ATOM 5751 C GLN A 49 22.172 18.851 70.206 1.00 56.52 ATOM 5752 O GLN A 49 21.370 18.847 71.160 1.00 59.81 ATOM 5744 CB GLN A 49 22.310 20.651 68.404 1.00 49.47 ATOM 5745 CG GLN A 49 21.919 21.149 66.994 1.00 45.54 ATOM 5746 CD GLN A 49 20.481 21.662 66.803 1.00 41.33 ATOM 5747 OE1 GLN A 49 20.128 22.760 67.217 1.00 38.15 ATOM 5748 NE2 GLN A 49 19.564 20.967 66.144 1.00 39.12 ATOM 5753 N THR A 50 23.391 18.379 70.399 1.00 56.40 ATOM 5755 CA THR A 50 23.845 18.131 71.751 1.00 56.97 ATOM 5760 C THR A 50 24.521 19.419 72.201 1.00 53.81 ATOM 5761 O THR A 50 25.177 20.082 71.369 1.00 55.39 ATOM 5756 CB THR A 50 24.834 16.936 71.768 1.00 60.57 ATOM 5757 OG1 THR A 50 25.510 16.847 70.501 1.00 62.78 ATOM 5759 CG2 THR A 50 24.075 15.667 72.133 1.00 62.64 ATOM 5762 N GLY A 51 24.344 19.826 73.466 1.00 47.48 ATOM 5764 CA GLY A 51 25.041 21.002 73.977 1.00 39.85 ATOM 5765 C GLY A 51 24.666 22.346 73.360 1.00 34.63 ATOM 5766 O GLY A 51 25.422 23.313 73.482 1.00 34.84 ATOM 5767 N PHE A 52 23.534 22.411 72.665 1.00 31.25 ATOM 5769 CA PHE A 52 23.026 23.639 72.119 1.00 26.55 ATOM 5777 C PHE A 52 21.518 23.573 72.151 1.00 25.26 ATOM 5778 O PHE A 52 20.877 22.565 71.838 1.00 23.26 ATOM 5770 CB PHE A 52 23.470 23.830 70.695 1.00 25.85 ATOM 5771 CG PHE A 52 24.793 24.567 70.604 1.00 26.24 ATOM 5772 CD1 PHE A 52 24.823 25.933 70.769 1.00 24.77 ATOM 5773 CD2 PHE A 52 25.964 23.873 70.360 1.00 26.61 ATOM 5774 CE1 PHE A 52 26.027 26.592 70.688 1.00 25.46 ATOM 5775 CE2 PHE A 52 27.160 24.551 70.284 1.00 25.38 ATOM 5776 CZ PHE A 52 27.194 25.911 70.449 1.00 23.79 ATOM 5779 N VAL A 53 20.963 24.666 72.664 1.00 23.55 ATOM 5781 CA VAL A 53 19.535 24.916 72.593 1.00 19.20 ATOM 5785 C VAL A 53 19.332 25.111 71.070 1.00 16.30 ATOM 5786 O VAL A 53 20.200 25.637 70.357 1.00 16.16 ATOM 5782 CB VAL A 53 19.235 26.189 73.450 1.00 18.08 ATOM 5783 CG1 VAL A 53 17.779 26.578 73.365 1.00 18.85 ATOM 5784 CG2 VAL A 53 19.500 25.900 74.926 1.00 18.41 ATOM 5787 N ARG A 54 18.225 24.611 70.556 1.00 16.30 ATOM 5789 CA ARG A 54 17.951 24.615 69.130 1.00 18.12 ATOM 5802 C ARG A 54 18.501 25.800 68.345 1.00 16.26 ATOM 5803 O ARG A 54 18.019 26.910 68.526 1.00 16.22 ATOM 5790 CB ARG A 54 16.434 24.526 68.921 1.00 16.08 ATOM 5791 CG ARG A 54 16.028 23.113 68.672 1.00 18.54 ATOM 5792 CD ARG A 54 14.588 23.049 68.237 1.00 21.75 ATOM 5793 NE ARG A 54 13.756 23.116 69.416 1.00 26.57 ATOM 5795 CZ ARG A 54 13.399 22.025 70.106 1.00 28.61 ATOM 5796 NH1 ARG A 54 13.781 20.801 69.741 1.00 29.67 ATOM 5799 NH2 ARG A 54 12.671 22.154 71.218 1.00 28.51 ATOM 5804 N TYR A 55 19.531 25.610 67.529 1.00 16.15 ATOM 5806 CA TYR A 55 20.080 26.659 66.679 1.00 15.71 ATOM 5816 C TYR A 55 20.417 26.186 65.227 1.00 18.83 ATOM 5817 O TYR A 55 21.225 26.777 64.490 1.00 17.97 ATOM 5807 CB TYR A 55 21.310 27.215 67.401 1.00 14.83 ATOM 5808 CG TYR A 55 22.613 26.423 67.272 1.00 19.03 ATOM 5809 CD1 TYR A 55 22.623 25.040 67.328 1.00 20.57 ATOM 5811 CD2 TYR A 55 23.808 27.104 67.095 1.00 20.07 ATOM 5810 CE1 TYR A 55 23.800 24.351 67.207 1.00 21.04 ATOM 5812 CE2 TYR A 55 25.005 26.422 66.975 1.00 20.61 ATOM 5813 CZ TYR A 55 24.980 25.041 67.033 1.00 23.12 ATOM 5814 OH TYR A 55 26.159 24.323 66.923 1.00 27.20 ATOM 5818 N ASP A 56 19.870 25.070 64.733 1.00 20.18 ATOM 5820 CA ASP A 56 20.116 24.646 63.361 1.00 21.42 ATOM 5825 C ASP A 56 19.021 25.050 62.379 1.00 20.87 ATOM 5826 O ASP A 56 17.920 25.455 62.765 1.00 21.62 ATOM 5821 CB ASP A 56 20.262 23.147 63.319 1.00 25.01 ATOM 5822 CG ASP A 56 21.158 22.587 62.218 1.00 25.38 ATOM 5823 OD1 ASP A 56 21.615 23.279 61.294 1.00 23.99 ATOM 5824 OD2 ASP A 56 21.421 21.406 62.335 1.00 26.40 ATOM 5827 N ASP A 57 19.310 24.887 61.091 1.00 20.66 ATOM 5829 CA ASP A 57 18.469 25.214 59.943 1.00 18.03 ATOM 5834 C ASP A 57 18.014 26.658 59.923 1.00 16.25 ATOM 5835 O ASP A 57 16.883 27.032 59.623 1.00 19.90 ATOM 5830 CB ASP A 57 17.259 24.248 59.847 1.00 18.31 ATOM 5831 CG ASP A 57 17.702 22.847 59.422 1.00 19.26 ATOM 5832 OD1 ASP A 57 18.155 22.607 58.302 1.00 20.98 ATOM 5833 OD2 ASP A 57 17.609 21.966 60.243 1.00 21.29 ATOM 5836 N GLY A 58 19.014 27.483 60.202 1.00 12.79 ATOM 5838 CA GLY A 58 18.885 28.907 59.984 1.00 14.97 ATOM 5839 C GLY A 58 18.194 29.751 61.027 1.00 14.63 ATOM 5840 O GLY A 58 18.106 30.962 60.862 1.00 12.97 ATOM 5841 N TYR A 59 17.721 29.194 62.121 1.00 17.32 ATOM 5843 CA TYR A 59 17.055 29.970 63.146 1.00 15.11 ATOM 5853 C TYR A 59 17.770 29.779 64.469 1.00 14.76 ATOM 5854 O TYR A 59 18.430 28.741 64.598 1.00 13.17 ATOM 5844 CB TYR A 59 15.637 29.493 63.281 1.00 13.01 ATOM 5845 CG TYR A 59 14.676 29.853 62.176 1.00 12.22 ATOM 5846 CD1 TYR A 59 14.598 29.099 61.021 1.00 10.98 ATOM 5848 CD2 TYR A 59 13.854 30.943 62.365 1.00 12.19 ATOM 5847 CE1 TYR A 59 13.681 29.456 60.056 1.00 10.31 ATOM 5849 CE2 TYR A 59 12.937 31.289 61.407 1.00 11.99 ATOM 5850 CZ TYR A 59 12.852 30.546 60.251 1.00 11.28 ATOM 5851 OH TYR A 59 11.913 30.925 59.284 1.00 13.74 ATOM 5855 N VAL A 60 17.650 30.686 65.460 1.00 14.41 ATOM 5857 CA VAL A 60 18.220 30.507 66.805 1.00 12.49 ATOM 5861 C VAL A 60 17.032 30.630 67.765 1.00 12.22 ATOM 5862 O VAL A 60 16.280 31.609 67.709 1.00 13.13 ATOM 5858 CB VAL A 60 19.269 31.590 67.085 1.00 14.62 ATOM 5859 CG1 VAL A 60 19.808 31.572 68.510 1.00 15.58 ATOM 5860 CG2 VAL A 60 20.482 31.266 66.257 1.00 15.40 ATOM 5863 N SER A 61 16.792 29.594 68.573 1.00 11.45 ATOM 5865 CA SER A 61 15.660 29.507 69.460 1.00 12.75 ATOM 5869 C SER A 61 15.850 30.313 70.753 1.00 14.35 ATOM 5870 O SER A 61 16.969 30.331 71.286 1.00 15.23 ATOM 5866 CB SER A 61 15.449 28.066 69.795 1.00 15.68 ATOM 5867 OG SER A 61 14.081 27.781 70.059 1.00 24.11 ATOM 5871 N THR A 62 14.799 30.982 71.267 1.00 13.88 ATOM 5873 CA THR A 62 14.845 31.741 72.509 1.00 12.59 ATOM 5878 C THR A 62 13.573 31.382 73.308 1.00 13.47 ATOM 5879 O THR A 62 12.645 30.741 72.775 1.00 10.59 ATOM 5874 CB THR A 62 14.888 33.277 72.244 1.00 11.86 ATOM 5875 OG1 THR A 62 13.614 33.610 71.716 1.00 12.38 ATOM 5877 CG2 THR A 62 15.961 33.731 71.280 1.00 10.46 ATOM 5880 N SER A 63 13.473 31.806 74.570 1.00 14.15 ATOM 5882 CA SER A 63 12.371 31.482 75.457 1.00 14.59 ATOM 5886 C SER A 63 11.756 32.771 75.932 1.00 14.01 ATOM 5887 O SER A 63 12.418 33.811 75.998 1.00 13.41 ATOM 5883 CB SER A 63 12.810 30.781 76.735 1.00 14.68 ATOM 5884 OG SER A 63 13.505 29.568 76.595 1.00 18.04 ATOM 5888 N LEU A 64 10.529 32.639 76.421 1.00 15.43 ATOM 5890 CA LEU A 64 9.803 33.781 76.961 1.00 16.95 ATOM 5895 C LEU A 64 10.219 34.172 78.381 1.00 15.74 ATOM 5896 O LEU A 64 9.963 35.299 78.794 1.00 18.91 ATOM 5891 CB LEU A 64 8.290 33.482 76.928 1.00 16.52 ATOM 5892 CG LEU A 64 7.672 33.276 75.557 1.00 19.17 ATOM 5893 CD1 LEU A 64 6.272 32.690 75.686 1.00 21.53 ATOM 5894 CD2 LEU A 64 7.611 34.617 74.845 1.00 19.90 ATOM 5897 N SER A 65 10.876 33.338 79.193 1.00 15.87 ATOM 5899 CA SER A 65 11.216 33.731 80.550 1.00 14.17 ATOM 5903 C SER A 65 12.625 33.353 80.896 1.00 13.46 ATOM 5904 O SER A 65 13.148 32.402 80.309 1.00 16.83 ATOM 5900 CB SER A 65 10.280 33.066 81.537 1.00 11.98 ATOM 5901 OG SER A 65 10.409 31.663 81.540 1.00 14.00 ATOM 5905 N LEU A 66 13.261 34.036 81.853 1.00 13.31 ATOM 5907 CA LEU A 66 14.578 33.649 82.331 1.00 16.57 ATOM 5912 C LEU A 66 14.540 32.206 82.919 1.00 19.58 ATOM 5913 O LEU A 66 15.485 31.416 82.797 1.00 21.26 ATOM 5908 CB LEU A 66 14.969 34.714 83.367 1.00 15.19 ATOM 5909 CG LEU A 66 16.185 34.511 84.241 1.00 15.40 ATOM 5910 CD1 LEU A 66 17.412 34.361 83.373 1.00 15.10 ATOM 5911 CD2 LEU A 66 16.362 35.705 85.170 1.00 17.52 ATOM 5914 N ARG A 67 13.430 31.842 83.572 1.00 20.42 ATOM 5916 CA ARG A 67 13.220 30.533 84.148 1.00 21.85 ATOM 5929 C ARG A 67 13.232 29.469 83.082 1.00 18.53 ATOM 5930 O ARG A 67 14.062 28.576 83.195 1.00 19.58 ATOM 5917 CB ARG A 67 11.893 30.547 84.876 1.00 27.65 ATOM 5918 CG ARG A 67 11.826 29.852 86.255 1.00 37.77 ATOM 5919 CD ARG A 67 11.336 28.418 86.328 1.00 45.31 ATOM 5920 NE ARG A 67 10.439 28.173 85.214 1.00 55.51 ATOM 5922 CZ ARG A 67 9.213 27.619 85.304 1.00 62.12 ATOM 5923 NH1 ARG A 67 8.682 27.224 86.478 1.00 63.19 ATOM 5926 NH2 ARG A 67 8.505 27.465 84.157 1.00 63.81 ATOM 5931 N SER A 68 12.417 29.535 82.018 1.00 18.84 ATOM 5933 CA SER A 68 12.446 28.552 80.955 1.00 18.61 ATOM 5937 C SER A 68 13.825 28.472 80.379 1.00 19.42 ATOM 5938 O SER A 68 14.332 27.367 80.252 1.00 24.00 ATOM 5934 CB SER A 68 11.548 28.884 79.786 1.00 22.18 ATOM 5935 OG SER A 68 10.207 29.000 80.213 1.00 29.74 ATOM 5939 N ALA A 69 14.502 29.574 80.090 1.00 17.44 ATOM 5941 CA ALA A 69 15.790 29.480 79.481 1.00 16.81 ATOM 5943 C ALA A 69 16.748 28.815 80.424 1.00 19.35 ATOM 5944 O ALA A 69 17.631 28.058 80.018 1.00 21.08 ATOM 5942 CB ALA A 69 16.316 30.846 79.144 1.00 14.09 ATOM 5945 N HIS A 70 16.552 29.020 81.714 1.00 22.35 ATOM 5947 CA HIS A 70 17.454 28.426 82.681 1.00 23.65 ATOM 5956 C HIS A 70 17.223 26.923 82.739 1.00 24.25 ATOM 5957 O HIS A 70 18.184 26.164 82.829 1.00 25.38 ATOM 5948 CB HIS A 70 17.233 29.040 84.057 1.00 25.47 ATOM 5949 CG HIS A 70 18.189 28.501 85.122 1.00 27.74 ATOM 5951 ND1 HIS A 70 17.873 28.059 86.331 1.00 29.75 ATOM 5950 CD2 HIS A 70 19.555 28.387 84.996 1.00 28.23 ATOM 5953 CE1 HIS A 70 18.987 27.691 86.928 1.00 29.85 ATOM 5954 NE2 HIS A 70 19.987 27.891 86.120 1.00 28.64 ATOM 5958 N LEU A 71 15.983 26.498 82.675 1.00 24.28 ATOM 5960 CA LEU A 71 15.617 25.096 82.651 1.00 28.76 ATOM 5965 C LEU A 71 16.207 24.447 81.428 1.00 28.03 ATOM 5966 O LEU A 71 16.808 23.385 81.518 1.00 30.87 ATOM 5961 CB LEU A 71 14.100 24.921 82.590 1.00 33.94 ATOM 5962 CG LEU A 71 13.239 25.443 83.744 1.00 38.00 ATOM 5963 CD1 LEU A 71 11.762 25.187 83.464 1.00 39.03 ATOM 5964 CD2 LEU A 71 13.690 24.761 85.034 1.00 38.96 ATOM 5967 N ALA A 72 16.076 25.099 80.278 1.00 25.48 ATOM 5969 CA ALA A 72 16.689 24.642 79.051 1.00 22.21 ATOM 5971 C ALA A 72 18.189 24.477 79.248 1.00 23.05 ATOM 5972 O ALA A 72 18.716 23.387 79.032 1.00 25.63 ATOM 5970 CB ALA A 72 16.448 25.658 77.970 1.00 21.94 ATOM 5973 N GLY A 73 18.878 25.504 79.728 1.00 22.15 ATOM 5975 CA GLY A 73 20.299 25.462 79.930 1.00 28.40 ATOM 5976 C GLY A 73 20.705 24.354 80.889 1.00 34.27 ATOM 5977 O GLY A 73 21.714 23.686 80.662 1.00 35.14 ATOM 5978 N GLN A 74 19.943 24.075 81.948 1.00 37.88 ATOM 5980 CA GLN A 74 20.334 23.047 82.910 1.00 39.28 ATOM 5988 C GLN A 74 20.236 21.653 82.329 1.00 39.42 ATOM 5989 O GLN A 74 21.063 20.790 82.607 1.00 40.28 ATOM 5981 CB GLN A 74 19.473 23.137 84.200 1.00 38.91 ATOM 5982 CG GLN A 74 19.978 24.240 85.122 1.00 38.93 ATOM 5983 CD GLN A 74 21.488 24.172 85.321 1.00 40.39 ATOM 5984 OE1 GLN A 74 22.231 25.064 84.952 1.00 39.37 ATOM 5985 NE2 GLN A 74 22.045 23.127 85.910 1.00 44.76 ATOM 5990 N SER A 75 19.252 21.421 81.486 1.00 40.90 ATOM 5992 CA SER A 75 19.104 20.150 80.801 1.00 43.15 ATOM 5996 C SER A 75 20.177 19.941 79.716 1.00 40.35 ATOM 5997 O SER A 75 20.657 18.820 79.523 1.00 39.69 ATOM 5993 CB SER A 75 17.709 20.128 80.187 1.00 46.60 ATOM 5994 OG SER A 75 17.317 18.850 79.720 1.00 52.70 ATOM 5998 N ILE A 76 20.547 21.016 79.015 1.00 37.21 ATOM 6000 CA ILE A 76 21.403 20.944 77.863 1.00 35.44 ATOM 6005 C ILE A 76 22.866 21.356 78.048 1.00 38.50 ATOM 6006 O ILE A 76 23.732 20.842 77.345 1.00 41.27 ATOM 6001 CB ILE A 76 20.650 21.780 76.799 1.00 34.22 ATOM 6003 CG1 ILE A 76 19.352 21.077 76.460 1.00 34.27 ATOM 6002 CG2 ILE A 76 21.448 21.908 75.523 1.00 33.14 ATOM 6004 CD1 ILE A 76 18.350 21.904 75.669 1.00 33.25 ATOM 6007 N LEU A 77 23.250 22.231 78.966 1.00 38.82 ATOM 6009 CA LEU A 77 24.601 22.748 79.067 1.00 38.27 ATOM 6014 C LEU A 77 25.189 22.385 80.412 1.00 41.98 ATOM 6015 O LEU A 77 26.208 22.932 80.811 1.00 42.65 ATOM 6010 CB LEU A 77 24.566 24.265 78.902 1.00 35.00 ATOM 6011 CG LEU A 77 23.842 24.852 77.696 1.00 32.37 ATOM 6012 CD1 LEU A 77 23.778 26.342 77.822 1.00 28.21 ATOM 6013 CD2 LEU A 77 24.588 24.536 76.431 1.00 32.70 ATOM 6016 N SER A 78 24.622 21.375 81.061 1.00 48.89 ATOM 6018 CA SER A 78 24.924 20.923 82.423 1.00 54.56 ATOM 6022 C SER A 78 26.372 20.681 82.825 1.00 56.03 ATOM 6023 O SER A 78 26.764 20.961 83.964 1.00 58.71 ATOM 6019 CB SER A 78 24.133 19.638 82.682 1.00 56.07 ATOM 6020 OG SER A 78 24.298 18.746 81.573 1.00 58.57 ATOM 6024 N GLY A 79 27.178 20.139 81.917 1.00 54.91 ATOM 6026 CA GLY A 79 28.574 19.878 82.237 1.00 56.24 ATOM 6027 C GLY A 79 29.423 21.140 82.359 1.00 55.35 ATOM 6028 O GLY A 79 30.436 21.163 83.071 1.00 56.97 ATOM 6029 N TYR A 80 28.997 22.183 81.634 1.00 50.82 ATOM 6031 CA TYR A 80 29.703 23.444 81.580 1.00 47.11 ATOM 6041 C TYR A 80 29.675 24.119 82.940 1.00 45.77 ATOM 6042 O TYR A 80 28.650 24.115 83.637 1.00 45.31 ATOM 6032 CB TYR A 80 29.056 24.387 80.594 1.00 45.27 ATOM 6033 CG TYR A 80 29.229 23.988 79.151 1.00 43.68 ATOM 6034 CD1 TYR A 80 28.360 23.082 78.579 1.00 44.76 ATOM 6036 CD2 TYR A 80 30.235 24.561 78.410 1.00 41.99 ATOM 6035 CE1 TYR A 80 28.479 22.738 77.248 1.00 43.85 ATOM 6037 CE2 TYR A 80 30.358 24.222 77.083 1.00 42.90 ATOM 6038 CZ TYR A 80 29.480 23.321 76.511 1.00 44.62 ATOM 6039 OH TYR A 80 29.571 23.038 75.161 1.00 47.32 ATOM 6043 N SER A 81 30.816 24.710 83.285 1.00 42.91 ATOM 6045 CA SER A 81 30.934 25.439 84.528 1.00 42.49 ATOM 6049 C SER A 81 30.316 26.813 84.418 1.00 40.83 ATOM 6050 O SER A 81 29.812 27.350 85.405 1.00 42.56 ATOM 6046 CB SER A 81 32.370 25.655 84.924 1.00 44.18 ATOM 6047 OG SER A 81 33.181 24.691 84.296 1.00 47.83 ATOM 6051 N THR A 82 30.417 27.389 83.230 1.00 39.36 ATOM 6053 CA THR A 82 29.907 28.708 82.979 1.00 36.23 ATOM 6058 C THR A 82 29.231 28.658 81.644 1.00 33.93 ATOM 6059 O THR A 82 29.818 28.168 80.667 1.00 34.82 ATOM 6054 CB THR A 82 30.993 29.751 82.856 1.00 35.79 ATOM 6055 OG1 THR A 82 31.957 29.527 83.870 1.00 38.13 ATOM 6057 CG2 THR A 82 30.400 31.129 82.992 1.00 36.42 ATOM 6060 N TYR A 83 27.997 29.125 81.620 1.00 29.79 ATOM 6062 CA TYR A 83 27.356 29.375 80.343 1.00 24.57 ATOM 6072 C TYR A 83 26.687 30.716 80.566 1.00 21.72 ATOM 6073 O TYR A 83 26.858 31.298 81.650 1.00 22.09 ATOM 6063 CB TYR A 83 26.372 28.219 79.993 1.00 20.78 ATOM 6064 CG TYR A 83 25.166 27.874 80.873 1.00 20.29 ATOM 6065 CD1 TYR A 83 23.960 28.508 80.633 1.00 17.96 ATOM 6067 CD2 TYR A 83 25.244 26.875 81.838 1.00 18.81 ATOM 6066 CE1 TYR A 83 22.837 28.152 81.337 1.00 18.53 ATOM 6068 CE2 TYR A 83 24.110 26.513 82.549 1.00 19.44 ATOM 6069 CZ TYR A 83 22.927 27.162 82.283 1.00 19.00 ATOM 6070 OH TYR A 83 21.792 26.858 82.973 1.00 21.65 ATOM 6074 N TYR A 84 25.963 31.268 79.602 1.00 18.71 ATOM 6076 CA TYR A 84 25.383 32.591 79.732 1.00 17.42 ATOM 6086 C TYR A 84 23.934 32.521 79.369 1.00 17.28 ATOM 6087 O TYR A 84 23.545 31.602 78.636 1.00 16.06 ATOM 6077 CB TYR A 84 26.033 33.591 78.787 1.00 19.98 ATOM 6078 CG TYR A 84 27.474 33.814 79.145 1.00 22.00 ATOM 6079 CD1 TYR A 84 28.399 32.866 78.752 1.00 24.68 ATOM 6081 CD2 TYR A 84 27.838 34.901 79.912 1.00 22.27 ATOM 6080 CE1 TYR A 84 29.715 32.986 79.140 1.00 27.01 ATOM 6082 CE2 TYR A 84 29.157 35.033 80.299 1.00 24.49 ATOM 6083 CZ TYR A 84 30.087 34.073 79.913 1.00 28.10 ATOM 6084 OH TYR A 84 31.432 34.187 80.271 1.00 33.32 ATOM 6088 N ILE A 85 23.109 33.413 79.923 1.00 15.97 ATOM 6090 CA ILE A 85 21.754 33.557 79.401 1.00 15.42 ATOM 6095 C ILE A 85 21.675 34.981 78.854 1.00 17.32 ATOM 6096 O ILE A 85 21.880 35.955 79.593 1.00 16.68 ATOM 6091 CB ILE A 85 20.687 33.310 80.513 1.00 13.73 ATOM 6093 CG1 ILE A 85 20.748 31.846 80.993 1.00 14.79 ATOM 6092 CG2 ILE A 85 19.296 33.507 79.943 1.00 9.51 ATOM 6094 CD1 ILE A 85 19.779 31.450 82.081 1.00 13.37 ATOM 6097 N TYR A 86 21.507 35.093 77.526 1.00 17.84 ATOM 6099 CA TYR A 86 21.426 36.366 76.798 1.00 13.84 ATOM 6109 C TYR A 86 19.989 36.874 76.876 1.00 14.26 ATOM 6110 O TYR A 86 19.021 36.113 76.839 1.00 14.06 ATOM 6100 CB TYR A 86 21.833 36.144 75.333 1.00 11.31 ATOM 6101 CG TYR A 86 23.331 35.917 75.240 1.00 10.29 ATOM 6102 CD1 TYR A 86 24.187 36.988 75.243 1.00 11.33 ATOM 6104 CD2 TYR A 86 23.830 34.643 75.264 1.00 11.76 ATOM 6103 CE1 TYR A 86 25.552 36.786 75.289 1.00 12.34 ATOM 6105 CE2 TYR A 86 25.190 34.432 75.317 1.00 11.32 ATOM 6106 CZ TYR A 86 26.040 35.504 75.332 1.00 12.24 ATOM 6107 OH TYR A 86 27.390 35.279 75.398 1.00 12.14 ATOM 6111 N VAL A 87 19.822 38.170 77.046 1.00 14.50 ATOM 6113 CA VAL A 87 18.534 38.824 77.116 1.00 14.51 ATOM 6117 C VAL A 87 18.439 39.535 75.762 1.00 14.38 ATOM 6118 O VAL A 87 19.257 40.400 75.428 1.00 15.53 ATOM 6114 CB VAL A 87 18.568 39.813 78.287 1.00 14.02 ATOM 6115 CG1 VAL A 87 17.247 40.539 78.377 1.00 12.69 ATOM 6116 CG2 VAL A 87 18.845 39.064 79.569 1.00 15.54 ATOM 6119 N ILE A 88 17.389 39.294 75.024 1.00 12.06 ATOM 6121 CA ILE A 88 17.298 39.692 73.651 1.00 12.26 ATOM 6126 C ILE A 88 16.036 40.493 73.500 1.00 12.90 ATOM 6127 O ILE A 88 15.012 40.117 74.073 1.00 14.38 ATOM 6122 CB ILE A 88 17.277 38.359 72.804 1.00 15.49 ATOM 6124 CG1 ILE A 88 18.648 37.699 72.765 1.00 14.43 ATOM 6123 CG2 ILE A 88 16.804 38.660 71.382 1.00 16.95 ATOM 6125 CD1 ILE A 88 18.486 36.260 73.277 1.00 15.76 ATOM 6128 N ALA A 89 16.022 41.562 72.723 1.00 14.01 ATOM 6130 CA ALA A 89 14.786 42.296 72.485 1.00 11.64 ATOM 6132 C ALA A 89 13.907 41.701 71.379 1.00 13.15 ATOM 6133 O ALA A 89 14.393 41.022 70.458 1.00 13.88 ATOM 6131 CB ALA A 89 15.142 43.696 72.114 1.00 11.41 ATOM 6134 N THR A 90 12.585 41.898 71.384 1.00 14.35 ATOM 6136 CA THR A 90 11.728 41.462 70.298 1.00 12.73 ATOM 6141 C THR A 90 11.916 42.409 69.092 1.00 14.44 ATOM 6142 O THR A 90 12.186 43.615 69.217 1.00 13.90 ATOM 6137 CB THR A 90 10.277 41.438 70.874 1.00 13.43 ATOM 6138 OG1 THR A 90 9.980 42.708 71.424 1.00 13.86 ATOM 6140 CG2 THR A 90 10.151 40.421 72.035 1.00 11.93 ATOM 6143 N ALA A 91 11.836 41.840 67.885 1.00 13.62 ATOM 6145 CA ALA A 91 11.940 42.561 66.634 1.00 12.25 ATOM 6147 C ALA A 91 11.385 41.608 65.572 1.00 12.58 ATOM 6148 O ALA A 91 11.222 40.394 65.809 1.00 14.41 ATOM 6146 CB ALA A 91 13.409 42.895 66.365 1.00 13.05 ATOM 6149 N PRO A 92 11.033 42.052 64.378 1.00 12.25 ATOM 6151 CA PRO A 92 10.407 41.199 63.373 1.00 7.60 ATOM 6154 C PRO A 92 11.285 40.119 62.759 1.00 9.93 ATOM 6155 O PRO A 92 10.865 39.502 61.797 1.00 13.13 ATOM 6152 CB PRO A 92 9.901 42.163 62.364 1.00 10.99 ATOM 6153 CG PRO A 92 9.877 43.498 63.092 1.00 13.30 ATOM 6150 CD PRO A 92 11.096 43.457 63.980 1.00 12.09 ATOM 6156 N ASN A 93 12.520 39.842 63.184 1.00 7.28 ATOM 6158 CA ASN A 93 13.243 38.682 62.733 1.00 8.62 ATOM 6165 C ASN A 93 12.825 37.516 63.604 1.00 10.35 ATOM 6166 O ASN A 93 13.333 36.421 63.387 1.00 10.99 ATOM 6159 CB ASN A 93 14.792 38.785 62.870 1.00 10.56 ATOM 6160 CG ASN A 93 15.382 39.217 64.208 1.00 10.08 ATOM 6161 OD1 ASN A 93 14.656 39.787 65.011 1.00 11.78 ATOM 6162 ND2 ASN A 93 16.666 39.116 64.544 1.00 8.06 ATOM 6167 N MET A 94 11.921 37.654 64.574 1.00 10.98 ATOM 6169 CA MET A 94 11.604 36.608 65.528 1.00 12.66 ATOM 6174 C MET A 94 10.264 36.046 65.191 1.00 13.98 ATOM 6175 O MET A 94 9.396 36.875 64.923 1.00 14.50 ATOM 6170 CB MET A 94 11.457 37.126 66.915 1.00 14.59 ATOM 6171 CG MET A 94 12.606 37.856 67.528 1.00 21.06 ATOM 6172 SD MET A 94 13.793 36.585 67.938 1.00 32.95 ATOM 6173 CE MET A 94 15.015 37.664 68.573 1.00 33.60 ATOM 6176 N PHE A 95 9.989 34.731 65.228 1.00 15.23 ATOM 6178 CA PHE A 95 8.644 34.225 64.926 1.00 14.06 ATOM 6186 C PHE A 95 8.239 33.285 66.044 1.00 13.85 ATOM 6187 O PHE A 95 9.073 32.517 66.558 1.00 14.05 ATOM 6179 CB PHE A 95 8.564 33.417 63.607 1.00 16.24 ATOM 6180 CG PHE A 95 8.880 34.242 62.354 1.00 19.18 ATOM 6181 CD1 PHE A 95 10.200 34.488 61.984 1.00 17.51 ATOM 6182 CD2 PHE A 95 7.847 34.795 61.610 1.00 18.53 ATOM 6183 CE1 PHE A 95 10.464 35.288 60.883 1.00 18.88 ATOM 6184 CE2 PHE A 95 8.129 35.593 60.509 1.00 17.07 ATOM 6185 CZ PHE A 95 9.434 35.836 60.150 1.00 17.46 ATOM 6188 N ASN A 96 6.973 33.321 66.417 1.00 13.06 ATOM 6190 CA ASN A 96 6.466 32.479 67.469 1.00 15.21 ATOM 6197 C ASN A 96 6.206 31.127 66.819 1.00 16.45 ATOM 6198 O ASN A 96 5.347 31.043 65.932 1.00 18.17 ATOM 6191 CB ASN A 96 5.198 33.099 68.003 1.00 17.10 ATOM 6192 CG ASN A 96 4.726 32.333 69.225 1.00 20.36 ATOM 6193 OD1 ASN A 96 4.421 31.144 69.177 1.00 21.03 ATOM 6194 ND2 ASN A 96 4.649 32.920 70.399 1.00 21.83 ATOM 6199 N VAL A 97 6.912 30.061 67.233 1.00 15.10 ATOM 6201 CA VAL A 97 6.869 28.770 66.551 1.00 16.81 ATOM 6205 C VAL A 97 5.494 28.095 66.613 1.00 20.12 ATOM 6206 O VAL A 97 4.988 27.586 65.594 1.00 18.72 ATOM 6202 CB VAL A 97 7.975 27.805 67.147 1.00 16.84 ATOM 6203 CG1 VAL A 97 7.865 26.443 66.441 1.00 14.97 ATOM 6204 CG2 VAL A 97 9.410 28.353 66.925 1.00 13.92 ATOM 6207 N ASN A 98 4.839 28.122 67.789 1.00 21.06 ATOM 6209 CA ASN A 98 3.516 27.517 67.940 1.00 20.97 ATOM 6216 C ASN A 98 2.495 28.239 67.074 1.00 22.77 ATOM 6217 O ASN A 98 1.588 27.589 66.561 1.00 25.18 ATOM 6210 CB ASN A 98 3.013 27.573 69.368 1.00 21.18 ATOM 6211 CG ASN A 98 3.819 26.734 70.342 1.00 27.18 ATOM 6212 OD1 ASN A 98 4.593 25.840 69.984 1.00 27.47 ATOM 6213 ND2 ASN A 98 3.698 26.996 71.636 1.00 31.17 ATOM 6218 N ASP A 99 2.628 29.562 66.870 1.00 22.34 ATOM 6220 CA ASP A 99 1.732 30.352 66.033 1.00 23.30 ATOM 6225 C ASP A 99 1.917 30.115 64.543 1.00 24.06 ATOM 6226 O ASP A 99 0.922 30.009 63.822 1.00 25.75 ATOM 6221 CB ASP A 99 1.921 31.839 66.268 1.00 26.40 ATOM 6222 CG ASP A 99 1.442 32.373 67.616 1.00 30.77 ATOM 6223 OD1 ASP A 99 0.736 31.675 68.359 1.00 32.71 ATOM 6224 OD2 ASP A 99 1.794 33.517 67.905 1.00 32.96 ATOM 6227 N VAL A 100 3.153 30.033 64.043 1.00 20.20 ATOM 6229 CA VAL A 100 3.371 29.766 62.635 1.00 16.74 ATOM 6233 C VAL A 100 3.078 28.302 62.319 1.00 18.04 ATOM 6234 O VAL A 100 2.441 28.010 61.304 1.00 19.99 ATOM 6230 CB VAL A 100 4.827 30.142 62.289 1.00 11.77 ATOM 6231 CG1 VAL A 100 5.170 29.784 60.854 1.00 12.29 ATOM 6232 CG2 VAL A 100 4.985 31.622 62.513 1.00 8.56 ATOM 6235 N LEU A 101 3.488 27.324 63.125 1.00 19.11 ATOM 6237 CA LEU A 101 3.333 25.928 62.714 1.00 17.75 ATOM 6242 C LEU A 101 2.002 25.308 63.146 1.00 21.11 ATOM 6243 O LEU A 101 1.569 24.233 62.684 1.00 19.98 ATOM 6238 CB LEU A 101 4.537 25.170 63.268 1.00 15.97 ATOM 6239 CG LEU A 101 5.944 25.513 62.727 1.00 12.99 ATOM 6240 CD1 LEU A 101 6.975 24.512 63.222 1.00 8.82 ATOM 6241 CD2 LEU A 101 5.929 25.441 61.205 1.00 10.49 ATOM 6244 N GLY A 102 1.337 26.013 64.070 1.00 22.19 ATOM 6246 CA GLY A 102 0.014 25.668 64.549 1.00 23.59 ATOM 6247 C GLY A 102 -0.012 24.306 65.209 1.00 25.99 ATOM 6248 O GLY A 102 0.875 23.937 65.983 1.00 25.30 ATOM 6249 N VAL A 103 -1.007 23.506 64.835 1.00 27.92 ATOM 6251 CA VAL A 103 -1.139 22.153 65.370 1.00 31.46 ATOM 6255 C VAL A 103 0.055 21.312 64.998 1.00 30.15 ATOM 6256 O VAL A 103 0.328 20.326 65.678 1.00 31.53 ATOM 6252 CB VAL A 103 -2.423 21.432 64.856 1.00 35.03 ATOM 6253 CG1 VAL A 103 -3.659 22.106 65.445 1.00 37.74 ATOM 6254 CG2 VAL A 103 -2.564 21.557 63.334 1.00 37.84 ATOM 6257 N TYR A 104 0.812 21.697 63.967 1.00 28.14 ATOM 6259 CA TYR A 104 1.960 20.911 63.544 1.00 27.06 ATOM 6269 C TYR A 104 3.192 21.288 64.288 1.00 26.77 ATOM 6270 O TYR A 104 4.263 20.798 63.968 1.00 27.91 ATOM 6260 CB TYR A 104 2.208 21.088 62.067 1.00 26.96 ATOM 6261 CG TYR A 104 0.977 20.576 61.369 1.00 28.43 ATOM 6262 CD1 TYR A 104 0.732 19.225 61.395 1.00 29.58 ATOM 6264 CD2 TYR A 104 0.093 21.442 60.766 1.00 30.81 ATOM 6263 CE1 TYR A 104 -0.409 18.717 60.821 1.00 30.89 ATOM 6265 CE2 TYR A 104 -1.053 20.944 60.182 1.00 31.95 ATOM 6266 CZ TYR A 104 -1.285 19.582 60.220 1.00 31.78 ATOM 6267 OH TYR A 104 -2.392 19.045 59.619 1.00 31.14 ATOM 6271 N SER A 105 3.053 22.145 65.282 1.00 29.00 ATOM 6273 CA SER A 105 4.149 22.558 66.106 1.00 31.14 ATOM 6277 C SER A 105 4.706 21.346 66.843 1.00 34.13 ATOM 6278 O SER A 105 3.968 20.695 67.578 1.00 34.64 ATOM 6274 CB SER A 105 3.629 23.603 67.063 1.00 30.56 ATOM 6275 OG SER A 105 4.665 24.143 67.861 1.00 31.32 ATOM 6279 N PRO A 106 5.989 20.979 66.700 1.00 37.83 ATOM 6281 CA PRO A 106 6.604 19.778 67.278 1.00 38.04 ATOM 6284 C PRO A 106 6.666 19.669 68.791 1.00 38.62 ATOM 6285 O PRO A 106 6.678 18.579 69.368 1.00 39.14 ATOM 6282 CB PRO A 106 8.000 19.730 66.708 1.00 36.26 ATOM 6283 CG PRO A 106 7.887 20.590 65.484 1.00 38.16 ATOM 6280 CD PRO A 106 6.983 21.714 65.922 1.00 38.42 ATOM 6286 N HIS A 107 6.886 20.825 69.418 1.00 38.66 ATOM 6288 CA HIS A 107 7.191 20.882 70.817 1.00 39.52 ATOM 6297 C HIS A 107 6.408 22.041 71.426 1.00 38.46 ATOM 6298 O HIS A 107 7.011 22.962 71.982 1.00 36.61 ATOM 6289 CB HIS A 107 8.754 21.034 70.931 1.00 42.57 ATOM 6290 CG HIS A 107 9.590 19.842 70.395 1.00 46.33 ATOM 6292 ND1 HIS A 107 9.475 18.515 70.607 1.00 47.89 ATOM 6291 CD2 HIS A 107 10.638 19.977 69.508 1.00 47.59 ATOM 6294 CE1 HIS A 107 10.383 17.877 69.894 1.00 47.24 ATOM 6295 NE2 HIS A 107 11.081 18.770 69.234 1.00 47.65 ATOM 6299 N PRO A 108 5.067 22.030 71.411 1.00 38.82 ATOM 6301 CA PRO A 108 4.224 23.167 71.742 1.00 42.65 ATOM 6304 C PRO A 108 4.492 23.749 73.121 1.00 48.38 ATOM 6305 O PRO A 108 4.638 24.957 73.344 1.00 49.93 ATOM 6302 CB PRO A 108 2.809 22.661 71.622 1.00 40.00 ATOM 6303 CG PRO A 108 2.928 21.461 70.741 1.00 38.33 ATOM 6300 CD PRO A 108 4.227 20.859 71.206 1.00 38.39 ATOM 6306 N TYR A 109 4.608 22.825 74.059 1.00 53.00 ATOM 6308 CA TYR A 109 4.800 23.155 75.460 1.00 57.57 ATOM 6318 C TYR A 109 6.069 23.967 75.727 1.00 56.04 ATOM 6319 O TYR A 109 6.132 24.685 76.721 1.00 57.79 ATOM 6309 CB TYR A 109 4.767 21.821 76.259 1.00 65.16 ATOM 6310 CG TYR A 109 5.435 20.593 75.602 1.00 73.02 ATOM 6311 CD1 TYR A 109 6.809 20.390 75.702 1.00 75.78 ATOM 6313 CD2 TYR A 109 4.664 19.673 74.894 1.00 75.63 ATOM 6312 CE1 TYR A 109 7.400 19.279 75.117 1.00 78.23 ATOM 6314 CE2 TYR A 109 5.253 18.563 74.303 1.00 78.12 ATOM 6315 CZ TYR A 109 6.620 18.373 74.417 1.00 79.42 ATOM 6316 OH TYR A 109 7.215 17.259 73.847 1.00 81.65 ATOM 6320 N GLU A 110 7.080 23.952 74.851 1.00 51.99 ATOM 6322 CA GLU A 110 8.273 24.741 75.072 1.00 48.31 ATOM 6328 C GLU A 110 8.066 26.193 74.738 1.00 41.10 ATOM 6329 O GLU A 110 8.775 27.026 75.283 1.00 37.38 ATOM 6323 CB GLU A 110 9.431 24.230 74.234 1.00 56.33 ATOM 6324 CG GLU A 110 9.894 22.875 74.772 1.00 65.34 ATOM 6325 CD GLU A 110 11.153 22.263 74.147 1.00 70.80 ATOM 6326 OE1 GLU A 110 12.255 22.669 74.533 1.00 74.38 ATOM 6327 OE2 GLU A 110 11.034 21.361 73.307 1.00 71.87 ATOM 6330 N GLN A 111 7.115 26.530 73.875 1.00 38.18 ATOM 6332 CA GLN A 111 6.857 27.907 73.463 1.00 39.63 ATOM 6340 C GLN A 111 8.109 28.664 72.978 1.00 34.18 ATOM 6341 O GLN A 111 8.558 29.630 73.599 1.00 33.51 ATOM 6333 CB GLN A 111 6.254 28.684 74.608 1.00 42.98 ATOM 6334 CG GLN A 111 5.020 28.111 75.215 1.00 49.84 ATOM 6335 CD GLN A 111 4.650 28.962 76.419 1.00 54.86 ATOM 6336 OE1 GLN A 111 3.726 29.787 76.365 1.00 56.87 ATOM 6337 NE2 GLN A 111 5.382 28.822 77.524 1.00 56.56 ATOM 6342 N GLU A 112 8.744 28.230 71.907 1.00 27.52 ATOM 6344 CA GLU A 112 9.953 28.882 71.443 1.00 23.32 ATOM 6350 C GLU A 112 9.607 30.076 70.578 1.00 21.70 ATOM 6351 O GLU A 112 8.545 30.102 69.933 1.00 23.56 ATOM 6345 CB GLU A 112 10.748 27.926 70.639 1.00 24.11 ATOM 6346 CG GLU A 112 10.864 26.650 71.416 1.00 28.84 ATOM 6347 CD GLU A 112 11.840 25.646 70.875 1.00 33.00 ATOM 6348 OE1 GLU A 112 11.960 25.491 69.667 1.00 36.30 ATOM 6349 OE2 GLU A 112 12.508 25.033 71.690 1.00 36.63 ATOM 6352 N VAL A 113 10.444 31.103 70.538 1.00 20.36 ATOM 6354 CA VAL A 113 10.323 32.223 69.572 1.00 17.41 ATOM 6358 C VAL A 113 11.639 32.099 68.791 1.00 12.82 ATOM 6359 O VAL A 113 12.697 32.067 69.417 1.00 12.42 ATOM 6355 CB VAL A 113 10.229 33.566 70.317 1.00 17.44 ATOM 6356 CG1 VAL A 113 10.217 34.754 69.375 1.00 16.57 ATOM 6357 CG2 VAL A 113 8.915 33.568 71.067 1.00 18.01 ATOM 6360 N SER A 114 11.700 31.922 67.484 1.00 10.62 ATOM 6362 CA SER A 114 12.966 31.670 66.803 1.00 10.04 ATOM 6366 C SER A 114 13.427 32.800 65.909 1.00 9.13 ATOM 6367 O SER A 114 12.602 33.418 65.238 1.00 8.89 ATOM 6363 CB SER A 114 12.786 30.430 66.020 1.00 12.07 ATOM 6364 OG SER A 114 12.857 29.339 66.913 1.00 15.20 ATOM 6368 N ALA A 115 14.713 33.129 65.941 1.00 9.48 ATOM 6370 CA ALA A 115 15.216 34.244 65.178 1.00 10.03 ATOM 6372 C ALA A 115 15.721 33.738 63.846 1.00 12.44 ATOM 6373 O ALA A 115 16.636 32.914 63.810 1.00 11.80 ATOM 6371 CB ALA A 115 16.372 34.897 65.864 1.00 6.64 ATOM 6374 N LEU A 116 15.122 34.214 62.760 1.00 13.97 ATOM 6376 CA LEU A 116 15.533 33.878 61.417 1.00 13.12 ATOM 6381 C LEU A 116 16.887 34.516 61.109 1.00 12.44 ATOM 6382 O LEU A 116 17.041 35.739 61.047 1.00 14.30 ATOM 6377 CB LEU A 116 14.427 34.340 60.456 1.00 12.92 ATOM 6378 CG LEU A 116 14.496 34.481 58.888 1.00 15.10 ATOM 6379 CD1 LEU A 116 15.636 33.808 58.222 1.00 8.54 ATOM 6380 CD2 LEU A 116 13.201 33.877 58.364 1.00 17.49 ATOM 6383 N GLY A 117 17.911 33.681 60.940 1.00 9.37 ATOM 6385 CA GLY A 117 19.212 34.171 60.533 1.00 9.97 ATOM 6386 C GLY A 117 20.187 34.466 61.661 1.00 13.16 ATOM 6387 O GLY A 117 21.365 34.769 61.383 1.00 12.95 ATOM 6388 N GLY A 118 19.715 34.291 62.915 1.00 12.57 ATOM 6390 CA GLY A 118 20.525 34.559 64.081 1.00 12.54 ATOM 6391 C GLY A 118 20.072 35.852 64.733 1.00 12.13 ATOM 6392 O GLY A 118 19.062 36.411 64.328 1.00 13.45 ATOM 6393 N ILE A 119 20.756 36.339 65.755 1.00 10.44 ATOM 6395 CA ILE A 119 20.333 37.515 66.480 1.00 10.85 ATOM 6400 C ILE A 119 21.500 38.463 66.390 1.00 11.80 ATOM 6401 O ILE A 119 22.569 38.110 66.915 1.00 11.48 ATOM 6396 CB ILE A 119 20.027 37.207 67.959 1.00 11.93 ATOM 6398 CG1 ILE A 119 18.765 36.387 68.023 1.00 12.76 ATOM 6397 CG2 ILE A 119 19.827 38.496 68.754 1.00 11.02 ATOM 6399 CD1 ILE A 119 18.660 35.545 69.287 1.00 13.31 ATOM 6402 N PRO A 120 21.361 39.622 65.714 1.00 10.24 ATOM 6404 CA PRO A 120 22.435 40.584 65.642 1.00 11.06 ATOM 6407 C PRO A 120 22.810 41.083 67.052 1.00 13.49 ATOM 6408 O PRO A 120 21.959 41.302 67.919 1.00 13.37 ATOM 6405 CB PRO A 120 21.905 41.645 64.713 1.00 9.81 ATOM 6406 CG PRO A 120 20.405 41.474 64.633 1.00 12.02 ATOM 6403 CD PRO A 120 20.124 40.038 65.030 1.00 8.13 ATOM 6409 N TYR A 121 24.101 41.251 67.330 1.00 13.32 ATOM 6411 CA TYR A 121 24.606 41.709 68.605 1.00 15.90 ATOM 6421 C TYR A 121 23.972 42.990 69.117 1.00 17.01 ATOM 6422 O TYR A 121 23.871 43.155 70.330 1.00 19.94 ATOM 6412 CB TYR A 121 26.107 41.893 68.471 1.00 17.18 ATOM 6413 CG TYR A 121 26.877 42.134 69.767 1.00 18.13 ATOM 6414 CD1 TYR A 121 27.112 41.103 70.657 1.00 18.68 ATOM 6416 CD2 TYR A 121 27.414 43.376 69.997 1.00 17.56 ATOM 6415 CE1 TYR A 121 27.899 41.316 71.771 1.00 21.27 ATOM 6417 CE2 TYR A 121 28.207 43.599 71.104 1.00 18.74 ATOM 6418 CZ TYR A 121 28.456 42.574 71.990 1.00 22.47 ATOM 6419 OH TYR A 121 29.317 42.810 73.072 1.00 24.12 ATOM 6423 N SER A 122 23.557 43.924 68.254 1.00 15.51 ATOM 6425 CA SER A 122 22.915 45.150 68.684 1.00 14.60 ATOM 6429 C SER A 122 21.488 44.962 69.202 1.00 15.12 ATOM 6430 O SER A 122 20.883 45.881 69.766 1.00 15.94 ATOM 6426 CB SER A 122 22.964 46.100 67.504 1.00 16.08 ATOM 6427 OG SER A 122 22.537 45.554 66.256 1.00 15.64 ATOM 6431 N GLN A 123 20.951 43.755 69.026 1.00 13.46 ATOM 6433 CA GLN A 123 19.634 43.370 69.472 1.00 11.43 ATOM 6441 C GLN A 123 19.717 42.707 70.842 1.00 11.62 ATOM 6442 O GLN A 123 18.692 42.449 71.469 1.00 13.71 ATOM 6434 CB GLN A 123 19.069 42.429 68.421 1.00 13.28 ATOM 6435 CG GLN A 123 17.608 42.034 68.668 1.00 13.23 ATOM 6436 CD GLN A 123 16.968 41.237 67.563 1.00 12.54 ATOM 6437 OE1 GLN A 123 17.560 41.037 66.501 1.00 16.17 ATOM 6438 NE2 GLN A 123 15.750 40.752 67.756 1.00 10.71 ATOM 6443 N ILE A 124 20.900 42.492 71.425 1.00 12.87 ATOM 6445 CA ILE A 124 21.087 41.745 72.672 1.00 12.11 ATOM 6450 C ILE A 124 21.193 42.796 73.733 1.00 9.62 ATOM 6451 O ILE A 124 22.110 43.589 73.766 1.00 9.70 ATOM 6446 CB ILE A 124 22.390 40.919 72.627 1.00 13.33 ATOM 6448 CG1 ILE A 124 22.243 39.766 71.645 1.00 13.58 ATOM 6447 CG2 ILE A 124 22.722 40.409 74.014 1.00 13.95 ATOM 6449 CD1 ILE A 124 23.539 38.982 71.308 1.00 13.62 ATOM 6452 N TYR A 125 20.238 42.767 74.600 1.00 11.58 ATOM 6454 CA TYR A 125 20.158 43.720 75.663 1.00 13.14 ATOM 6464 C TYR A 125 21.295 43.499 76.653 1.00 14.25 ATOM 6465 O TYR A 125 21.966 44.446 77.022 1.00 15.23 ATOM 6455 CB TYR A 125 18.773 43.532 76.252 1.00 16.35 ATOM 6456 CG TYR A 125 18.535 44.557 77.319 1.00 18.93 ATOM 6457 CD1 TYR A 125 18.286 45.858 76.964 1.00 22.39 ATOM 6459 CD2 TYR A 125 18.667 44.190 78.634 1.00 20.64 ATOM 6458 CE1 TYR A 125 18.187 46.827 77.937 1.00 25.97 ATOM 6460 CE2 TYR A 125 18.572 45.143 79.615 1.00 23.75 ATOM 6461 CZ TYR A 125 18.341 46.457 79.266 1.00 27.79 ATOM 6462 OH TYR A 125 18.338 47.415 80.265 1.00 29.44 ATOM 6466 N GLY A 126 21.576 42.297 77.104 1.00 13.31 ATOM 6468 CA GLY A 126 22.617 42.061 78.061 1.00 11.03 ATOM 6469 C GLY A 126 22.669 40.583 78.327 1.00 14.31 ATOM 6470 O GLY A 126 22.086 39.803 77.568 1.00 15.39 ATOM 6471 N TRP A 127 23.357 40.134 79.366 1.00 15.77 ATOM 6473 CA TRP A 127 23.435 38.711 79.694 1.00 13.09 ATOM 6485 C TRP A 127 23.680 38.480 81.167 1.00 11.93 ATOM 6486 O TRP A 127 24.194 39.371 81.856 1.00 12.05 ATOM 6474 CB TRP A 127 24.571 38.006 78.916 1.00 12.66 ATOM 6475 CG TRP A 127 25.853 38.831 78.860 1.00 14.33 ATOM 6479 CD1 TRP A 127 26.793 38.757 79.858 1.00 15.48 ATOM 6476 CD2 TRP A 127 26.183 39.746 77.872 1.00 14.95 ATOM 6480 NE1 TRP A 127 27.708 39.641 79.507 1.00 15.77 ATOM 6477 CE2 TRP A 127 27.383 40.244 78.343 1.00 15.31 ATOM 6478 CE3 TRP A 127 25.670 40.232 76.686 1.00 17.01 ATOM 6482 CZ2 TRP A 127 28.074 41.207 77.628 1.00 16.98 ATOM 6483 CZ3 TRP A 127 26.367 41.198 75.970 1.00 16.19 ATOM 6484 CH2 TRP A 127 27.560 41.687 76.435 1.00 16.01 ATOM 6487 N TYR A 128 23.348 37.279 81.642 1.00 14.44 ATOM 6489 CA TYR A 128 23.605 36.841 83.015 1.00 17.32 ATOM 6499 C TYR A 128 24.623 35.711 82.925 1.00 19.19 ATOM 6500 O TYR A 128 24.511 34.887 82.000 1.00 20.41 ATOM 6490 CB TYR A 128 22.376 36.237 83.720 1.00 15.48 ATOM 6491 CG TYR A 128 21.207 37.182 83.894 1.00 11.30 ATOM 6492 CD1 TYR A 128 21.194 38.160 84.858 1.00 8.94 ATOM 6494 CD2 TYR A 128 20.150 37.039 83.033 1.00 12.53 ATOM 6493 CE1 TYR A 128 20.111 39.008 84.950 1.00 9.77 ATOM 6495 CE2 TYR A 128 19.063 37.885 83.122 1.00 13.30 ATOM 6496 CZ TYR A 128 19.064 38.863 84.081 1.00 12.08 ATOM 6497 OH TYR A 128 17.976 39.692 84.128 1.00 13.03 ATOM 6501 N ARG A 129 25.629 35.644 83.795 1.00 18.38 ATOM 6503 CA ARG A 129 26.524 34.507 83.772 1.00 22.41 ATOM 6516 C ARG A 129 25.877 33.436 84.624 1.00 21.78 ATOM 6517 O ARG A 129 25.201 33.753 85.610 1.00 20.15 ATOM 6504 CB ARG A 129 27.886 34.793 84.370 1.00 27.38 ATOM 6505 CG ARG A 129 28.529 35.960 83.654 1.00 38.97 ATOM 6506 CD ARG A 129 29.974 36.304 83.998 1.00 48.00 ATOM 6507 NE ARG A 129 30.890 35.186 83.750 1.00 55.96 ATOM 6509 CZ ARG A 129 31.211 34.305 84.714 1.00 58.89 ATOM 6510 NH1 ARG A 129 30.673 34.440 85.926 1.00 62.58 ATOM 6513 NH2 ARG A 129 32.118 33.335 84.517 1.00 58.43 ATOM 6518 N VAL A 130 26.021 32.167 84.248 1.00 21.54 ATOM 6520 CA VAL A 130 25.500 31.082 85.041 1.00 21.39 ATOM 6524 C VAL A 130 26.744 30.304 85.445 1.00 26.04 ATOM 6525 O VAL A 130 27.538 29.944 84.572 1.00 29.11 ATOM 6521 CB VAL A 130 24.551 30.254 84.180 1.00 19.04 ATOM 6522 CG1 VAL A 130 24.014 29.121 85.037 1.00 17.43 ATOM 6523 CG2 VAL A 130 23.390 31.099 83.680 1.00 14.24 ATOM 6526 N ASN A 131 26.959 30.062 86.741 1.00 27.82 ATOM 6528 CA ASN A 131 28.142 29.368 87.254 1.00 28.18 ATOM 6535 C ASN A 131 27.706 28.158 88.025 1.00 28.95 ATOM 6536 O ASN A 131 27.001 28.287 89.018 1.00 30.70 ATOM 6529 CB ASN A 131 28.929 30.163 88.234 1.00 28.89 ATOM 6530 CG ASN A 131 29.270 31.514 87.677 1.00 31.40 ATOM 6531 OD1 ASN A 131 28.678 32.523 88.064 1.00 34.42 ATOM 6532 ND2 ASN A 131 30.180 31.585 86.719 1.00 31.85 ATOM 6537 N PHE A 132 28.044 26.966 87.566 1.00 28.56 ATOM 6539 CA PHE A 132 27.669 25.729 88.210 1.00 30.01 ATOM 6547 C PHE A 132 26.177 25.640 88.357 1.00 32.08 ATOM 6548 O PHE A 132 25.670 25.141 89.365 1.00 35.68 ATOM 6540 CB PHE A 132 28.320 25.607 89.588 1.00 32.19 ATOM 6541 CG PHE A 132 29.810 25.575 89.404 1.00 32.47 ATOM 6542 CD1 PHE A 132 30.385 24.424 88.914 1.00 33.53 ATOM 6543 CD2 PHE A 132 30.553 26.715 89.661 1.00 35.40 ATOM 6544 CE1 PHE A 132 31.741 24.434 88.671 1.00 35.95 ATOM 6545 CE2 PHE A 132 31.912 26.718 89.413 1.00 35.82 ATOM 6546 CZ PHE A 132 32.502 25.572 88.916 1.00 36.42 ATOM 6549 N GLY A 133 25.455 26.150 87.362 1.00 29.91 ATOM 6551 CA GLY A 133 24.014 26.037 87.358 1.00 27.53 ATOM 6552 C GLY A 133 23.319 27.116 88.156 1.00 25.84 ATOM 6553 O GLY A 133 22.081 27.210 88.159 1.00 26.50 ATOM 6554 N VAL A 134 24.078 27.978 88.817 1.00 24.59 ATOM 6556 CA VAL A 134 23.499 29.065 89.587 1.00 24.32 ATOM 6560 C VAL A 134 23.570 30.393 88.807 1.00 22.75 ATOM 6561 O VAL A 134 24.641 30.859 88.385 1.00 18.72 ATOM 6557 CB VAL A 134 24.268 29.124 90.941 1.00 26.84 ATOM 6558 CG1 VAL A 134 23.838 30.311 91.767 1.00 27.34 ATOM 6559 CG2 VAL A 134 23.928 27.903 91.776 1.00 26.03 ATOM 6562 N ILE A 135 22.430 31.054 88.591 1.00 23.16 ATOM 6564 CA ILE A 135 22.440 32.305 87.854 1.00 21.59 ATOM 6569 C ILE A 135 23.027 33.392 88.749 1.00 23.66 ATOM 6570 O ILE A 135 22.509 33.648 89.849 1.00 24.64 ATOM 6565 CB ILE A 135 21.027 32.745 87.466 1.00 20.26 ATOM 6567 CG1 ILE A 135 20.359 31.738 86.578 1.00 20.02 ATOM 6566 CG2 ILE A 135 21.102 34.085 86.720 1.00 21.09 ATOM 6568 CD1 ILE A 135 18.834 32.068 86.454 1.00 15.59 ATOM 6571 N ASP A 136 24.108 34.022 88.322 1.00 20.53 ATOM 6573 CA ASP A 136 24.519 35.221 88.987 1.00 19.99 ATOM 6578 C ASP A 136 23.489 36.216 88.447 1.00 21.38 ATOM 6579 O ASP A 136 23.502 36.553 87.255 1.00 21.65 ATOM 6574 CB ASP A 136 25.903 35.541 88.541 1.00 21.08 ATOM 6575 CG ASP A 136 26.469 36.843 89.064 1.00 25.95 ATOM 6576 OD1 ASP A 136 25.739 37.608 89.690 1.00 26.38 ATOM 6577 OD2 ASP A 136 27.658 37.106 88.839 1.00 29.95 ATOM 6580 N GLU A 137 22.564 36.723 89.255 1.00 20.22 ATOM 6582 CA GLU A 137 21.525 37.627 88.770 1.00 18.31 ATOM 6588 C GLU A 137 21.878 39.085 88.527 1.00 19.91 ATOM 6589 O GLU A 137 21.003 39.929 88.349 1.00 18.09 ATOM 6583 CB GLU A 137 20.351 37.598 89.718 1.00 19.11 ATOM 6584 CG GLU A 137 19.693 36.218 89.640 1.00 20.16 ATOM 6585 CD GLU A 137 18.428 36.019 90.441 1.00 19.22 ATOM 6586 OE1 GLU A 137 17.697 36.967 90.648 1.00 17.13 ATOM 6587 OE2 GLU A 137 18.161 34.905 90.864 1.00 23.62 ATOM 6590 N ARG A 138 23.136 39.458 88.525 1.00 22.11 ATOM 6592 CA ARG A 138 23.528 40.814 88.274 1.00 27.83 ATOM 6605 C ARG A 138 23.650 40.909 86.765 1.00 25.57 ATOM 6606 O ARG A 138 24.546 40.289 86.179 1.00 25.33 ATOM 6593 CB ARG A 138 24.833 41.025 89.005 1.00 37.32 ATOM 6594 CG ARG A 138 25.352 42.440 88.928 1.00 50.84 ATOM 6595 CD ARG A 138 26.827 42.474 89.363 1.00 63.74 ATOM 6596 NE ARG A 138 27.742 41.743 88.464 1.00 71.99 ATOM 6598 CZ ARG A 138 28.375 40.600 88.819 1.00 76.01 ATOM 6599 NH1 ARG A 138 28.230 40.034 90.039 1.00 76.37 ATOM 6602 NH2 ARG A 138 29.108 39.977 87.891 1.00 77.38 ATOM 6607 N LEU A 139 22.714 41.602 86.113 1.00 24.20 ATOM 6609 CA LEU A 139 22.697 41.766 84.670 1.00 23.34 ATOM 6614 C LEU A 139 23.846 42.594 84.120 1.00 24.69 ATOM 6615 O LEU A 139 24.125 43.691 84.609 1.00 27.00 ATOM 6610 CB LEU A 139 21.416 42.429 84.230 1.00 23.37 ATOM 6611 CG LEU A 139 21.170 42.702 82.729 1.00 23.31 ATOM 6612 CD1 LEU A 139 20.748 41.465 81.957 1.00 21.59 ATOM 6613 CD2 LEU A 139 20.062 43.696 82.657 1.00 23.08 ATOM 6616 N HIS A 140 24.546 42.132 83.096 1.00 22.19 ATOM 6618 CA HIS A 140 25.552 42.978 82.525 1.00 25.52 ATOM 6627 C HIS A 140 24.828 43.468 81.295 1.00 26.47 ATOM 6628 O HIS A 140 24.264 42.673 80.537 1.00 27.27 ATOM 6619 CB HIS A 140 26.757 42.245 82.062 1.00 31.80 ATOM 6620 CG HIS A 140 27.293 41.275 83.083 1.00 39.29 ATOM 6622 ND1 HIS A 140 26.778 40.092 83.418 1.00 43.19 ATOM 6621 CD2 HIS A 140 28.426 41.481 83.821 1.00 41.74 ATOM 6624 CE1 HIS A 140 27.550 39.564 84.334 1.00 43.74 ATOM 6625 NE2 HIS A 140 28.529 40.408 84.561 1.00 45.00 ATOM 6629 N ARG A 141 24.800 44.771 81.113 1.00 26.63 ATOM 6631 CA ARG A 141 24.149 45.366 79.983 1.00 25.64 ATOM 6644 C ARG A 141 25.125 45.386 78.817 1.00 22.70 ATOM 6645 O ARG A 141 26.341 45.483 78.960 1.00 23.46 ATOM 6632 CB ARG A 141 23.724 46.745 80.416 1.00 29.46 ATOM 6633 CG ARG A 141 22.246 47.061 80.323 1.00 35.65 ATOM 6634 CD ARG A 141 21.703 46.848 78.889 1.00 44.49 ATOM 6635 NE ARG A 141 22.198 47.686 77.799 1.00 48.92 ATOM 6637 CZ ARG A 141 21.694 48.902 77.565 1.00 54.21 ATOM 6638 NH1 ARG A 141 20.699 49.428 78.303 1.00 55.67 ATOM 6641 NH2 ARG A 141 22.244 49.635 76.597 1.00 57.91 ATOM 6646 N ASN A 142 24.593 45.264 77.627 1.00 21.27 ATOM 6648 CA ASN A 142 25.367 45.305 76.402 1.00 19.62 ATOM 6655 C ASN A 142 25.556 46.756 75.963 1.00 22.26 ATOM 6656 O ASN A 142 24.592 47.460 75.634 1.00 20.19 ATOM 6649 CB ASN A 142 24.633 44.514 75.321 1.00 16.46 ATOM 6650 CG ASN A 142 25.339 44.517 73.983 1.00 20.07 ATOM 6651 OD1 ASN A 142 26.419 45.085 73.793 1.00 21.13 ATOM 6652 ND2 ASN A 142 24.766 43.919 72.964 1.00 20.86 ATOM 6657 N ARG A 143 26.805 47.239 75.916 1.00 25.99 ATOM 6659 CA ARG A 143 27.080 48.597 75.435 1.00 29.10 ATOM 6672 C ARG A 143 26.562 48.871 74.020 1.00 25.42 ATOM 6673 O ARG A 143 26.236 50.009 73.705 1.00 24.82 ATOM 6660 CB ARG A 143 28.563 48.930 75.347 1.00 38.54 ATOM 6661 CG ARG A 143 29.446 48.979 76.574 1.00 48.42 ATOM 6662 CD ARG A 143 30.897 49.132 76.073 1.00 55.65 ATOM 6663 NE ARG A 143 31.772 49.601 77.144 1.00 62.93 ATOM 6665 CZ ARG A 143 31.952 50.915 77.440 1.00 66.77 ATOM 6666 NH1 ARG A 143 31.345 51.921 76.771 1.00 67.75 ATOM 6669 NH2 ARG A 143 32.745 51.241 78.473 1.00 67.54 ATOM 6674 N GLU A 144 26.445 47.896 73.109 1.00 22.69 ATOM 6676 CA GLU A 144 26.063 48.182 71.736 1.00 19.35 ATOM 6682 C GLU A 144 24.612 47.926 71.397 1.00 19.92 ATOM 6683 O GLU A 144 24.243 47.959 70.208 1.00 22.43 ATOM 6677 CB GLU A 144 26.959 47.376 70.842 1.00 22.29 ATOM 6678 CG GLU A 144 28.388 47.783 71.191 1.00 28.13 ATOM 6679 CD GLU A 144 29.512 47.036 70.509 1.00 32.86 ATOM 6680 OE1 GLU A 144 29.300 46.602 69.375 1.00 31.37 ATOM 6681 OE2 GLU A 144 30.588 46.912 71.124 1.00 37.50 ATOM 6684 N TYR A 145 23.764 47.653 72.408 1.00 16.53 ATOM 6686 CA TYR A 145 22.330 47.482 72.202 1.00 16.85 ATOM 6696 C TYR A 145 21.747 48.805 71.633 1.00 18.46 ATOM 6697 O TYR A 145 22.174 49.880 72.078 1.00 19.17 ATOM 6687 CB TYR A 145 21.695 47.079 73.572 1.00 14.57 ATOM 6688 CG TYR A 145 20.157 47.117 73.583 1.00 11.80 ATOM 6689 CD1 TYR A 145 19.461 46.218 72.802 1.00 11.03 ATOM 6691 CD2 TYR A 145 19.477 48.051 74.331 1.00 10.23 ATOM 6690 CE1 TYR A 145 18.102 46.255 72.778 1.00 10.34 ATOM 6692 CE2 TYR A 145 18.096 48.095 74.308 1.00 10.04 ATOM 6693 CZ TYR A 145 17.444 47.184 73.528 1.00 9.95 ATOM 6694 OH TYR A 145 16.083 47.159 73.481 1.00 14.47 ATOM 6698 N ARG A 146 20.825 48.837 70.648 1.00 18.88 ATOM 6700 CA ARG A 146 20.316 50.096 70.108 1.00 16.18 ATOM 6713 C ARG A 146 18.994 50.260 70.803 1.00 15.78 ATOM 6714 O ARG A 146 17.953 49.748 70.399 1.00 19.43 ATOM 6701 CB ARG A 146 20.061 50.054 68.591 1.00 17.54 ATOM 6702 CG ARG A 146 21.068 49.465 67.596 1.00 19.55 ATOM 6703 CD ARG A 146 22.459 50.107 67.415 1.00 24.07 ATOM 6704 NE ARG A 146 22.444 51.456 66.832 1.00 26.22 ATOM 6706 CZ ARG A 146 23.562 52.122 66.496 1.00 21.86 ATOM 6707 NH1 ARG A 146 24.802 51.641 66.629 1.00 16.60 ATOM 6710 NH2 ARG A 146 23.392 53.370 66.112 1.00 25.48 ATOM 6715 N ASP A 147 19.029 51.007 71.889 1.00 20.07 ATOM 6717 CA ASP A 147 17.918 51.206 72.791 1.00 21.50 ATOM 6722 C ASP A 147 16.735 51.861 72.099 1.00 19.19 ATOM 6723 O ASP A 147 15.645 51.298 72.043 1.00 16.63 ATOM 6718 CB ASP A 147 18.498 52.026 73.951 1.00 30.18 ATOM 6719 CG ASP A 147 17.737 51.950 75.280 1.00 37.77 ATOM 6720 OD1 ASP A 147 16.732 52.651 75.416 1.00 38.28 ATOM 6721 OD2 ASP A 147 18.166 51.208 76.183 1.00 43.34 ATOM 6724 N ARG A 148 16.979 52.991 71.436 1.00 17.16 ATOM 6726 CA ARG A 148 15.931 53.709 70.775 1.00 13.84 ATOM 6739 C ARG A 148 15.295 52.889 69.663 1.00 14.63 ATOM 6740 O ARG A 148 14.053 52.832 69.557 1.00 16.41 ATOM 6727 CB ARG A 148 16.502 54.999 70.210 1.00 14.89 ATOM 6728 CG ARG A 148 15.424 55.885 69.613 1.00 16.92 ATOM 6729 CD ARG A 148 15.954 57.097 68.856 1.00 18.34 ATOM 6730 NE ARG A 148 16.671 58.015 69.730 1.00 19.11 ATOM 6732 CZ ARG A 148 17.978 58.280 69.584 1.00 22.84 ATOM 6733 NH1 ARG A 148 18.708 57.714 68.616 1.00 23.69 ATOM 6736 NH2 ARG A 148 18.556 59.136 70.425 1.00 22.76 ATOM 6741 N TYR A 149 16.132 52.265 68.839 1.00 11.05 ATOM 6743 CA TYR A 149 15.608 51.471 67.729 1.00 12.32 ATOM 6753 C TYR A 149 14.768 50.292 68.184 1.00 13.38 ATOM 6754 O TYR A 149 13.622 50.125 67.752 1.00 13.64 ATOM 6744 CB TYR A 149 16.752 50.938 66.864 1.00 13.39 ATOM 6745 CG TYR A 149 16.228 50.211 65.631 1.00 15.99 ATOM 6746 CD1 TYR A 149 15.476 50.925 64.727 1.00 19.32 ATOM 6748 CD2 TYR A 149 16.440 48.863 65.396 1.00 16.46 ATOM 6747 CE1 TYR A 149 14.937 50.310 63.612 1.00 17.22 ATOM 6749 CE2 TYR A 149 15.908 48.255 64.275 1.00 17.34 ATOM 6750 CZ TYR A 149 15.159 48.991 63.401 1.00 16.99 ATOM 6751 OH TYR A 149 14.603 48.424 62.291 1.00 23.82 ATOM 6755 N TYR A 150 15.338 49.442 69.057 1.00 16.60 ATOM 6757 CA TYR A 150 14.605 48.273 69.542 1.00 17.09 ATOM 6767 C TYR A 150 13.481 48.516 70.541 1.00 22.13 ATOM 6768 O TYR A 150 12.572 47.707 70.659 1.00 23.49 ATOM 6758 CB TYR A 150 15.611 47.326 70.116 1.00 13.54 ATOM 6759 CG TYR A 150 16.313 46.658 68.945 1.00 14.24 ATOM 6760 CD1 TYR A 150 15.588 45.878 68.046 1.00 15.05 ATOM 6762 CD2 TYR A 150 17.663 46.854 68.755 1.00 12.72 ATOM 6761 CE1 TYR A 150 16.210 45.292 66.953 1.00 12.67 ATOM 6763 CE2 TYR A 150 18.278 46.268 67.668 1.00 11.78 ATOM 6764 CZ TYR A 150 17.555 45.501 66.787 1.00 12.44 ATOM 6765 OH TYR A 150 18.196 44.945 65.708 1.00 15.18 ATOM 6769 N ARG A 151 13.484 49.662 71.208 1.00 26.66 ATOM 6771 CA ARG A 151 12.496 50.072 72.182 1.00 31.68 ATOM 6784 C ARG A 151 11.077 49.595 71.933 1.00 33.63 ATOM 6785 O ARG A 151 10.463 48.842 72.673 1.00 34.83 ATOM 6772 CB ARG A 151 12.515 51.621 72.257 1.00 34.36 ATOM 6773 CG ARG A 151 12.021 52.231 73.583 1.00 37.01 ATOM 6774 CD ARG A 151 12.232 53.764 73.740 1.00 38.48 ATOM 6775 NE ARG A 151 13.630 54.204 73.913 1.00 39.18 ATOM 6777 CZ ARG A 151 14.097 55.363 73.397 1.00 38.73 ATOM 6778 NH1 ARG A 151 13.270 56.159 72.695 1.00 35.79 ATOM 6781 NH2 ARG A 151 15.405 55.699 73.546 1.00 38.89 ATOM 6786 N ASN A 152 10.575 49.938 70.792 1.00 36.72 ATOM 6788 CA ASN A 152 9.186 49.716 70.514 1.00 42.80 ATOM 6795 C ASN A 152 8.909 48.583 69.519 1.00 41.18 ATOM 6796 O ASN A 152 7.795 48.513 68.975 1.00 42.11 ATOM 6789 CB ASN A 152 8.658 51.094 70.053 1.00 52.46 ATOM 6790 CG ASN A 152 9.525 51.813 68.988 1.00 59.67 ATOM 6791 OD1 ASN A 152 10.761 51.929 69.086 1.00 60.80 ATOM 6792 ND2 ASN A 152 8.924 52.340 67.919 1.00 61.76 ATOM 6797 N LEU A 153 9.830 47.642 69.259 1.00 35.04 ATOM 6799 CA LEU A 153 9.577 46.669 68.211 1.00 28.19 ATOM 6804 C LEU A 153 8.977 45.382 68.753 1.00 24.71 ATOM 6805 O LEU A 153 9.077 44.998 69.926 1.00 21.46 ATOM 6800 CB LEU A 153 10.876 46.373 67.444 1.00 24.87 ATOM 6801 CG LEU A 153 11.578 47.500 66.717 1.00 23.68 ATOM 6802 CD1 LEU A 153 12.742 46.968 65.938 1.00 24.52 ATOM 6803 CD2 LEU A 153 10.670 48.101 65.712 1.00 22.93 ATOM 6806 N ASN A 154 8.388 44.639 67.844 1.00 22.13 ATOM 6808 CA ASN A 154 7.665 43.482 68.263 1.00 23.85 ATOM 6815 C ASN A 154 8.055 42.248 67.510 1.00 21.57 ATOM 6816 O ASN A 154 8.827 42.381 66.577 1.00 21.05 ATOM 6809 CB ASN A 154 6.259 43.848 68.046 1.00 32.40 ATOM 6810 CG ASN A 154 5.574 43.683 69.354 1.00 40.41 ATOM 6811 OD1 ASN A 154 4.762 42.764 69.508 1.00 45.83 ATOM 6812 ND2 ASN A 154 5.931 44.491 70.357 1.00 40.96 ATOM 6817 N ILE A 155 7.590 41.068 67.879 1.00 21.59 ATOM 6819 CA ILE A 155 7.747 39.820 67.104 1.00 23.53 ATOM 6824 C ILE A 155 7.191 40.001 65.698 1.00 22.27 ATOM 6825 O ILE A 155 6.382 40.900 65.502 1.00 24.24 ATOM 6820 CB ILE A 155 6.984 38.660 67.864 1.00 23.76 ATOM 6822 CG1 ILE A 155 7.757 38.443 69.096 1.00 26.50 ATOM 6821 CG2 ILE A 155 6.993 37.283 67.274 1.00 25.80 ATOM 6823 CD1 ILE A 155 9.262 38.396 68.876 1.00 25.43 ATOM 6826 N ALA A 156 7.580 39.240 64.677 1.00 21.66 ATOM 6828 CA ALA A 156 6.928 39.325 63.383 1.00 21.96 ATOM 6830 C ALA A 156 5.550 38.712 63.579 1.00 25.49 ATOM 6831 O ALA A 156 5.421 37.766 64.365 1.00 29.40 ATOM 6829 CB ALA A 156 7.663 38.501 62.347 1.00 18.86 ATOM 6832 N PRO A 157 4.448 39.122 62.962 1.00 27.80 ATOM 6834 CA PRO A 157 3.177 38.397 63.048 1.00 26.59 ATOM 6837 C PRO A 157 3.228 37.008 62.395 1.00 27.12 ATOM 6838 O PRO A 157 3.947 36.823 61.397 1.00 28.21 ATOM 6835 CB PRO A 157 2.228 39.348 62.397 1.00 27.47 ATOM 6836 CG PRO A 157 3.075 39.999 61.317 1.00 29.21 ATOM 6833 CD PRO A 157 4.380 40.273 62.069 1.00 29.13 ATOM 6839 N ALA A 158 2.450 36.018 62.881 1.00 26.41 ATOM 6841 CA ALA A 158 2.411 34.664 62.321 1.00 25.85 ATOM 6843 C ALA A 158 2.133 34.667 60.824 1.00 26.52 ATOM 6844 O ALA A 158 2.701 33.910 60.059 1.00 25.82 ATOM 6842 CB ALA A 158 1.329 33.859 63.008 1.00 24.77 ATOM 6845 N GLU A 159 1.310 35.596 60.374 1.00 29.35 ATOM 6847 CA GLU A 159 1.007 35.816 58.970 1.00 36.03 ATOM 6853 C GLU A 159 2.191 35.871 58.027 1.00 36.77 ATOM 6854 O GLU A 159 2.172 35.380 56.879 1.00 38.40 ATOM 6848 CB GLU A 159 0.328 37.111 58.736 1.00 43.40 ATOM 6849 CG GLU A 159 -0.968 37.321 59.434 1.00 53.50 ATOM 6850 CD GLU A 159 -1.618 38.546 58.824 1.00 60.74 ATOM 6851 OE1 GLU A 159 -1.993 38.492 57.638 1.00 62.31 ATOM 6852 OE2 GLU A 159 -1.722 39.548 59.543 1.00 64.70 ATOM 6855 N ASP A 160 3.187 36.582 58.560 1.00 35.22 ATOM 6857 CA ASP A 160 4.414 36.765 57.823 1.00 33.35 ATOM 6862 C ASP A 160 5.180 35.465 57.843 1.00 28.36 ATOM 6863 O ASP A 160 5.928 35.177 56.919 1.00 26.27 ATOM 6858 CB ASP A 160 5.250 37.890 58.446 1.00 36.51 ATOM 6859 CG ASP A 160 4.823 39.326 58.119 1.00 38.84 ATOM 6860 OD1 ASP A 160 3.785 39.532 57.484 1.00 41.42 ATOM 6861 OD2 ASP A 160 5.535 40.256 58.513 1.00 40.18 ATOM 6864 N GLY A 161 4.925 34.674 58.874 1.00 23.70 ATOM 6866 CA GLY A 161 5.581 33.418 59.033 1.00 22.36 ATOM 6867 C GLY A 161 4.982 32.306 58.215 1.00 21.41 ATOM 6868 O GLY A 161 5.713 31.382 57.838 1.00 22.00 ATOM 6869 N TYR A 162 3.701 32.311 57.878 1.00 20.02 ATOM 6871 CA TYR A 162 3.136 31.179 57.140 1.00 17.92 ATOM 6881 C TYR A 162 3.835 30.794 55.860 1.00 19.67 ATOM 6882 O TYR A 162 4.083 29.601 55.706 1.00 20.10 ATOM 6872 CB TYR A 162 1.697 31.391 56.744 1.00 16.00 ATOM 6873 CG TYR A 162 0.822 31.526 57.940 1.00 16.85 ATOM 6874 CD1 TYR A 162 1.055 30.733 59.030 1.00 16.88 ATOM 6876 CD2 TYR A 162 -0.168 32.469 57.903 1.00 18.86 ATOM 6875 CE1 TYR A 162 0.274 30.874 60.135 1.00 18.33 ATOM 6877 CE2 TYR A 162 -0.957 32.622 59.009 1.00 20.25 ATOM 6878 CZ TYR A 162 -0.714 31.819 60.106 1.00 20.66 ATOM 6879 OH TYR A 162 -1.510 31.984 61.214 1.00 24.38 ATOM 6883 N ARG A 163 4.208 31.721 54.957 1.00 18.40 ATOM 6885 CA ARG A 163 4.837 31.254 53.748 1.00 21.46 ATOM 6898 C ARG A 163 6.258 30.818 53.985 1.00 20.99 ATOM 6899 O ARG A 163 6.880 30.285 53.065 1.00 22.37 ATOM 6886 CB ARG A 163 4.848 32.312 52.657 1.00 29.23 ATOM 6887 CG ARG A 163 5.264 33.634 53.150 1.00 37.10 ATOM 6888 CD ARG A 163 5.716 34.526 52.035 1.00 46.09 ATOM 6889 NE ARG A 163 5.626 35.867 52.575 1.00 57.21 ATOM 6891 CZ ARG A 163 6.461 36.409 53.495 1.00 62.85 ATOM 6892 NH1 ARG A 163 7.517 35.775 54.027 1.00 63.37 ATOM 6895 NH2 ARG A 163 6.172 37.633 53.953 1.00 66.26 ATOM 6900 N LEU A 164 6.804 31.009 55.190 1.00 17.73 ATOM 6902 CA LEU A 164 8.146 30.562 55.502 1.00 16.77 ATOM 6907 C LEU A 164 8.082 29.334 56.401 1.00 16.81 ATOM 6908 O LEU A 164 9.139 28.870 56.834 1.00 16.65 ATOM 6903 CB LEU A 164 8.954 31.631 56.252 1.00 13.02 ATOM 6904 CG LEU A 164 8.934 33.021 55.679 1.00 13.70 ATOM 6905 CD1 LEU A 164 9.775 33.952 56.504 1.00 11.35 ATOM 6906 CD2 LEU A 164 9.435 32.959 54.268 1.00 11.53 ATOM 6909 N ALA A 165 6.920 28.756 56.699 1.00 15.68 ATOM 6911 CA ALA A 165 6.834 27.645 57.645 1.00 15.86 ATOM 6913 C ALA A 165 7.704 26.446 57.284 1.00 18.73 ATOM 6914 O ALA A 165 8.214 25.751 58.165 1.00 17.75 ATOM 6912 CB ALA A 165 5.402 27.214 57.730 1.00 14.56 ATOM 6915 N GLY A 166 7.880 26.124 55.995 1.00 18.94 ATOM 6917 CA GLY A 166 8.850 25.118 55.606 1.00 17.38 ATOM 6918 C GLY A 166 8.376 23.692 55.597 1.00 17.85 ATOM 6919 O GLY A 166 9.171 22.758 55.479 1.00 18.76 ATOM 6920 N PHE A 167 7.093 23.476 55.712 1.00 17.75 ATOM 6922 CA PHE A 167 6.571 22.127 55.632 1.00 21.89 ATOM 6930 C PHE A 167 6.996 21.497 54.311 1.00 22.84 ATOM 6931 O PHE A 167 7.088 22.158 53.259 1.00 22.42 ATOM 6923 CB PHE A 167 5.049 22.081 55.664 1.00 19.32 ATOM 6924 CG PHE A 167 4.461 22.635 56.926 1.00 20.13 ATOM 6925 CD1 PHE A 167 4.575 21.944 58.096 1.00 19.29 ATOM 6926 CD2 PHE A 167 3.765 23.833 56.888 1.00 21.46 ATOM 6927 CE1 PHE A 167 3.972 22.463 59.233 1.00 19.75 ATOM 6928 CE2 PHE A 167 3.165 24.346 58.032 1.00 19.59 ATOM 6929 CZ PHE A 167 3.268 23.650 59.220 1.00 19.07 ATOM 6932 N PRO A 168 7.246 20.185 54.339 1.00 24.70 ATOM 6934 CA PRO A 168 7.533 19.442 53.118 1.00 26.56 ATOM 6937 C PRO A 168 6.429 19.587 52.056 1.00 25.71 ATOM 6938 O PRO A 168 5.248 19.814 52.385 1.00 23.11 ATOM 6935 CB PRO A 168 7.785 17.995 53.629 1.00 23.81 ATOM 6936 CG PRO A 168 7.391 17.956 55.084 1.00 23.43 ATOM 6933 CD PRO A 168 7.508 19.393 55.535 1.00 23.36 ATOM 6939 N PRO A 169 6.765 19.420 50.769 1.00 28.57 ATOM 6941 CA PRO A 169 5.822 19.560 49.653 1.00 31.13 ATOM 6944 C PRO A 169 4.566 18.705 49.747 1.00 35.26 ATOM 6945 O PRO A 169 3.541 19.087 49.186 1.00 36.90 ATOM 6942 CB PRO A 169 6.644 19.259 48.418 1.00 28.18 ATOM 6943 CG PRO A 169 7.830 18.508 48.977 1.00 29.66 ATOM 6940 CD PRO A 169 8.122 19.242 50.275 1.00 28.88 ATOM 6946 N ASP A 170 4.638 17.579 50.471 1.00 38.29 ATOM 6948 CA ASP A 170 3.535 16.644 50.615 1.00 40.48 ATOM 6953 C ASP A 170 2.776 16.814 51.925 1.00 36.57 ATOM 6954 O ASP A 170 1.803 16.097 52.179 1.00 35.07 ATOM 6949 CB ASP A 170 4.080 15.178 50.504 1.00 46.13 ATOM 6950 CG ASP A 170 5.050 14.617 51.566 1.00 50.04 ATOM 6951 OD1 ASP A 170 5.382 15.296 52.550 1.00 52.15 ATOM 6952 OD2 ASP A 170 5.465 13.464 51.397 1.00 51.96 ATOM 6955 N HIS A 171 3.177 17.777 52.757 1.00 33.24 ATOM 6957 CA HIS A 171 2.613 17.854 54.088 1.00 31.74 ATOM 6966 C HIS A 171 1.185 18.338 54.028 1.00 30.78 ATOM 6967 O HIS A 171 1.022 19.430 53.501 1.00 32.40 ATOM 6958 CB HIS A 171 3.441 18.801 54.913 1.00 30.10 ATOM 6959 CG HIS A 171 3.135 18.703 56.400 1.00 29.04 ATOM 6961 ND1 HIS A 171 2.064 19.135 57.069 1.00 27.93 ATOM 6960 CD2 HIS A 171 4.019 18.173 57.314 1.00 27.62 ATOM 6963 CE1 HIS A 171 2.277 18.891 58.348 1.00 27.31 ATOM 6964 NE2 HIS A 171 3.450 18.314 58.481 1.00 27.51 ATOM 6968 N GLN A 172 0.155 17.721 54.623 1.00 30.78 ATOM 6970 CA GLN A 172 -1.190 18.233 54.401 1.00 32.55 ATOM 6978 C GLN A 172 -1.406 19.656 54.864 1.00 28.95 ATOM 6979 O GLN A 172 -2.334 20.285 54.377 1.00 29.17 ATOM 6971 CB GLN A 172 -2.280 17.373 55.060 1.00 38.94 ATOM 6972 CG GLN A 172 -2.510 17.486 56.567 1.00 45.29 ATOM 6973 CD GLN A 172 -1.644 16.531 57.363 1.00 50.25 ATOM 6974 OE1 GLN A 172 -0.426 16.443 57.138 1.00 53.39 ATOM 6975 NE2 GLN A 172 -2.252 15.785 58.285 1.00 49.65 ATOM 6980 N ALA A 173 -0.618 20.157 55.826 1.00 24.30 ATOM 6982 CA ALA A 173 -0.642 21.557 56.155 1.00 22.38 ATOM 6984 C ALA A 173 -0.718 22.482 54.928 1.00 23.30 ATOM 6985 O ALA A 173 -1.485 23.435 54.947 1.00 20.74 ATOM 6983 CB ALA A 173 0.580 21.882 56.896 1.00 20.84 ATOM 6986 N TRP A 174 -0.078 22.211 53.780 1.00 24.67 ATOM 6988 CA TRP A 174 -0.172 23.118 52.627 1.00 25.25 ATOM 7000 C TRP A 174 -1.508 23.166 51.916 1.00 28.60 ATOM 7001 O TRP A 174 -1.732 23.989 51.031 1.00 26.42 ATOM 6989 CB TRP A 174 0.842 22.763 51.586 1.00 21.39 ATOM 6990 CG TRP A 174 2.265 23.055 51.986 1.00 22.05 ATOM 6994 CD1 TRP A 174 3.214 22.075 51.915 1.00 23.13 ATOM 6991 CD2 TRP A 174 2.750 24.252 52.441 1.00 22.12 ATOM 6995 NE1 TRP A 174 4.310 22.650 52.320 1.00 22.54 ATOM 6992 CE2 TRP A 174 4.079 23.934 52.640 1.00 22.96 ATOM 6993 CE3 TRP A 174 2.305 25.532 52.718 1.00 21.58 ATOM 6997 CZ2 TRP A 174 4.963 24.876 53.138 1.00 22.46 ATOM 6998 CZ3 TRP A 174 3.185 26.480 53.220 1.00 20.93 ATOM 6999 CH2 TRP A 174 4.509 26.152 53.423 1.00 20.73 ATOM 7002 N ARG A 175 -2.365 22.215 52.308 1.00 35.04 ATOM 7004 CA ARG A 175 -3.714 21.955 51.788 1.00 39.97 ATOM 7017 C ARG A 175 -4.812 22.485 52.711 1.00 37.86 ATOM 7018 O ARG A 175 -6.002 22.392 52.392 1.00 37.06 ATOM 7005 CB ARG A 175 -3.936 20.443 51.612 1.00 46.36 ATOM 7006 CG ARG A 175 -3.196 19.726 50.467 1.00 56.60 ATOM 7007 CD ARG A 175 -2.265 18.530 50.876 1.00 65.63 ATOM 7008 NE ARG A 175 -0.902 18.956 51.239 1.00 71.68 ATOM 7010 CZ ARG A 175 0.142 18.975 50.382 1.00 74.59 ATOM 7011 NH1 ARG A 175 0.037 18.583 49.102 1.00 76.40 ATOM 7014 NH2 ARG A 175 1.300 19.515 50.780 1.00 74.93 ATOM 7019 N GLU A 176 -4.466 23.004 53.891 1.00 37.09 ATOM 7021 CA GLU A 176 -5.452 23.524 54.813 1.00 34.52 ATOM 7027 C GLU A 176 -5.144 24.951 55.209 1.00 34.24 ATOM 7028 O GLU A 176 -4.121 25.565 54.857 1.00 33.54 ATOM 7022 CB GLU A 176 -5.556 22.643 56.066 1.00 33.89 ATOM 7023 CG GLU A 176 -4.332 21.911 56.539 1.00 37.05 ATOM 7024 CD GLU A 176 -4.629 20.819 57.562 1.00 39.55 ATOM 7025 OE1 GLU A 176 -5.379 19.885 57.260 1.00 41.17 ATOM 7026 OE2 GLU A 176 -4.104 20.908 58.672 1.00 39.37 ATOM 7029 N GLU A 177 -6.122 25.539 55.872 1.00 34.07 ATOM 7031 CA GLU A 177 -5.996 26.902 56.303 1.00 36.16 ATOM 7037 C GLU A 177 -5.241 26.945 57.628 1.00 35.19 ATOM 7038 O GLU A 177 -5.399 26.024 58.428 1.00 35.77 ATOM 7032 CB GLU A 177 -7.369 27.495 56.441 1.00 38.37 ATOM 7033 CG GLU A 177 -7.833 27.911 55.065 1.00 43.10 ATOM 7034 CD GLU A 177 -9.091 28.734 55.171 1.00 46.52 ATOM 7035 OE1 GLU A 177 -9.008 29.893 55.601 1.00 50.14 ATOM 7036 OE2 GLU A 177 -10.144 28.195 54.851 1.00 45.89 ATOM 7039 N PRO A 178 -4.405 27.958 57.900 1.00 32.57 ATOM 7041 CA PRO A 178 -4.203 29.113 57.013 1.00 30.09 ATOM 7044 C PRO A 178 -3.082 29.055 55.976 1.00 26.83 ATOM 7045 O PRO A 178 -2.983 29.948 55.132 1.00 28.59 ATOM 7042 CB PRO A 178 -4.061 30.239 57.995 1.00 29.73 ATOM 7043 CG PRO A 178 -3.189 29.531 59.025 1.00 32.87 ATOM 7040 CD PRO A 178 -3.769 28.138 59.195 1.00 31.78 ATOM 7046 N TRP A 179 -2.292 27.995 55.945 1.00 21.60 ATOM 7048 CA TRP A 179 -1.120 27.908 55.106 1.00 21.15 ATOM 7060 C TRP A 179 -1.471 27.868 53.640 1.00 21.98 ATOM 7061 O TRP A 179 -0.761 28.469 52.831 1.00 18.81 ATOM 7049 CB TRP A 179 -0.317 26.662 55.483 1.00 20.82 ATOM 7050 CG TRP A 179 -0.002 26.632 56.980 1.00 22.10 ATOM 7054 CD1 TRP A 179 1.002 27.410 57.518 1.00 21.51 ATOM 7051 CD2 TRP A 179 -0.683 25.914 57.946 1.00 22.23 ATOM 7055 NE1 TRP A 179 0.951 27.196 58.815 1.00 19.26 ATOM 7052 CE2 TRP A 179 -0.026 26.323 59.116 1.00 20.89 ATOM 7053 CE3 TRP A 179 -1.732 25.008 58.028 1.00 20.22 ATOM 7057 CZ2 TRP A 179 -0.399 25.840 60.359 1.00 18.66 ATOM 7058 CZ3 TRP A 179 -2.092 24.541 59.283 1.00 19.86 ATOM 7059 CH2 TRP A 179 -1.439 24.947 60.429 1.00 18.75 ATOM 7062 N ILE A 180 -2.612 27.274 53.295 1.00 23.89 ATOM 7064 CA ILE A 180 -3.000 27.145 51.901 1.00 25.20 ATOM 7069 C ILE A 180 -2.961 28.484 51.178 1.00 25.50 ATOM 7070 O ILE A 180 -2.371 28.652 50.113 1.00 27.02 ATOM 7065 CB ILE A 180 -4.418 26.498 51.803 1.00 25.47 ATOM 7067 CG1 ILE A 180 -4.659 26.208 50.305 1.00 28.41 ATOM 7066 CG2 ILE A 180 -5.493 27.351 52.427 1.00 23.80 ATOM 7068 CD1 ILE A 180 -5.943 25.475 49.918 1.00 27.15 ATOM 7071 N HIS A 181 -3.411 29.520 51.863 1.00 25.32 ATOM 7073 CA HIS A 181 -3.473 30.846 51.271 1.00 25.60 ATOM 7082 C HIS A 181 -2.089 31.493 51.173 1.00 25.04 ATOM 7083 O HIS A 181 -1.991 32.664 50.814 1.00 28.04 ATOM 7074 CB HIS A 181 -4.378 31.751 52.121 1.00 26.53 ATOM 7075 CG HIS A 181 -5.788 31.250 52.333 1.00 29.21 ATOM 7077 ND1 HIS A 181 -6.630 30.759 51.426 1.00 32.31 ATOM 7076 CD2 HIS A 181 -6.426 31.216 53.539 1.00 30.48 ATOM 7079 CE1 HIS A 181 -7.741 30.420 52.011 1.00 31.19 ATOM 7080 NE2 HIS A 181 -7.597 30.706 53.273 1.00 32.05 ATOM 7084 N HIS A 182 -0.991 30.831 51.526 1.00 21.66 ATOM 7086 CA HIS A 182 0.317 31.431 51.566 1.00 19.00 ATOM 7095 C HIS A 182 1.345 30.459 51.053 1.00 21.42 ATOM 7096 O HIS A 182 2.532 30.792 51.093 1.00 22.69 ATOM 7087 CB HIS A 182 0.746 31.800 52.983 1.00 20.71 ATOM 7088 CG HIS A 182 -0.088 32.830 53.708 1.00 20.56 ATOM 7090 ND1 HIS A 182 -1.189 32.634 54.436 1.00 22.02 ATOM 7089 CD2 HIS A 182 0.160 34.165 53.666 1.00 21.18 ATOM 7092 CE1 HIS A 182 -1.623 33.795 54.819 1.00 19.09 ATOM 7093 NE2 HIS A 182 -0.806 34.700 54.355 1.00 20.37 ATOM 7097 N ALA A 183 0.957 29.261 50.609 1.00 26.38 ATOM 7099 CA ALA A 183 1.901 28.265 50.119 1.00 30.15 ATOM 7101 C ALA A 183 2.890 28.757 49.046 1.00 33.51 ATOM 7102 O ALA A 183 2.437 29.308 48.023 1.00 34.47 ATOM 7100 CB ALA A 183 1.102 27.105 49.573 1.00 30.50 ATOM 7103 N PRO A 184 4.240 28.616 49.233 1.00 34.85 ATOM 7105 CA PRO A 184 5.268 28.940 48.233 1.00 35.25 ATOM 7108 C PRO A 184 5.006 28.090 46.995 1.00 38.73 ATOM 7109 O PRO A 184 4.243 27.104 47.039 1.00 37.97 ATOM 7106 CB PRO A 184 6.597 28.602 48.863 1.00 34.48 ATOM 7107 CG PRO A 184 6.309 28.497 50.345 1.00 33.27 ATOM 7104 CD PRO A 184 4.884 27.978 50.382 1.00 33.21 ATOM 7110 N GLN A 185 5.658 28.400 45.874 1.00 41.95 ATOM 7112 CA GLN A 185 5.317 27.648 44.686 1.00 44.67 ATOM 7120 C GLN A 185 5.880 26.254 44.762 1.00 39.85 ATOM 7121 O GLN A 185 6.997 26.044 45.209 1.00 38.62 ATOM 7113 CB GLN A 185 5.830 28.358 43.450 1.00 52.40 ATOM 7114 CG GLN A 185 4.602 28.851 42.669 1.00 60.26 ATOM 7115 CD GLN A 185 4.934 29.419 41.292 1.00 66.14 ATOM 7116 OE1 GLN A 185 5.934 30.109 41.098 1.00 68.82 ATOM 7117 NE2 GLN A 185 4.123 29.171 40.268 1.00 69.20 ATOM 7122 N GLY A 186 5.050 25.287 44.425 1.00 36.68 ATOM 7124 CA GLY A 186 5.501 23.914 44.451 1.00 35.77 ATOM 7125 C GLY A 186 5.195 23.213 45.759 1.00 37.31 ATOM 7126 O GLY A 186 5.621 22.074 45.954 1.00 37.45 ATOM 7127 N CYS A 187 4.509 23.877 46.684 1.00 39.83 ATOM 7129 CA CYS A 187 4.102 23.289 47.956 1.00 41.50 ATOM 7130 C CYS A 187 2.592 23.075 47.850 1.00 44.26 ATOM 7131 O CYS A 187 1.921 24.089 47.606 1.00 45.19 ATOM 7132 CB CYS A 187 4.391 24.255 49.123 1.00 37.23 ATOM 7133 SG CYS A 187 6.099 24.816 49.269 1.00 31.68 ATOM 7134 N GLY A 188 2.033 21.855 48.012 1.00 46.97 ATOM 7136 CA GLY A 188 0.594 21.620 47.883 1.00 50.17 ATOM 7137 C GLY A 188 0.247 20.588 46.803 1.00 52.81 ATOM 7138 O GLY A 188 -0.707 20.793 46.042 1.00 56.37 ATOM 7144 N GLY C 196 9.098 17.577 46.113 1.00 93.77 ATOM 7146 CA GLY C 196 9.201 18.453 44.969 1.00 92.97 ATOM 7140 C GLY C 196 10.167 19.534 45.409 1.00 91.66 ATOM 7141 O GLY C 196 9.942 20.149 46.462 1.00 91.75 ATOM 7147 N ASP C 197 11.269 19.652 44.655 1.00 89.00 ATOM 7149 CA ASP C 197 12.329 20.615 44.929 1.00 84.37 ATOM 7154 C ASP C 197 11.730 22.007 45.000 1.00 74.77 ATOM 7155 O ASP C 197 11.932 22.679 46.007 1.00 74.25 ATOM 7150 CB ASP C 197 13.416 20.538 43.808 1.00 90.14 ATOM 7151 CG ASP C 197 14.660 21.460 43.879 1.00 93.30 ATOM 7152 OD1 ASP C 197 15.110 21.821 44.976 1.00 94.98 ATOM 7153 OD2 ASP C 197 15.206 21.785 42.813 1.00 93.22 ATOM 7156 N THR C 198 10.910 22.368 44.015 1.00 64.51 ATOM 7158 CA THR C 198 10.331 23.686 43.937 1.00 56.18 ATOM 7163 C THR C 198 9.739 24.167 45.251 1.00 48.14 ATOM 7164 O THR C 198 10.042 25.305 45.603 1.00 46.89 ATOM 7159 CB THR C 198 9.314 23.636 42.796 1.00 58.48 ATOM 7160 OG1 THR C 198 10.018 23.113 41.663 1.00 60.55 ATOM 7162 CG2 THR C 198 8.752 24.999 42.434 1.00 58.53 ATOM 7165 N CYS C 199 9.055 23.331 46.040 1.00 40.19 ATOM 7167 CA CYS C 199 8.579 23.767 47.345 1.00 34.06 ATOM 7168 C CYS C 199 9.726 24.231 48.231 1.00 32.22 ATOM 7169 O CYS C 199 9.805 25.378 48.674 1.00 31.56 ATOM 7170 CB CYS C 199 7.878 22.645 48.045 1.00 30.79 ATOM 7171 SG CYS C 199 7.172 23.131 49.631 1.00 28.96 ATOM 7172 N ASN C 200 10.729 23.370 48.349 1.00 31.94 ATOM 7174 CA ASN C 200 11.830 23.606 49.256 1.00 34.39 ATOM 7181 C ASN C 200 12.795 24.702 48.868 1.00 34.45 ATOM 7182 O ASN C 200 13.310 25.416 49.739 1.00 29.49 ATOM 7175 CB ASN C 200 12.625 22.344 49.445 1.00 36.91 ATOM 7176 CG ASN C 200 11.827 21.271 50.158 1.00 41.62 ATOM 7177 OD1 ASN C 200 11.081 21.512 51.119 1.00 44.85 ATOM 7178 ND2 ASN C 200 11.967 20.033 49.691 1.00 43.68 ATOM 7183 N GLU C 201 13.082 24.850 47.574 1.00 36.73 ATOM 7185 CA GLU C 201 13.996 25.891 47.192 1.00 41.97 ATOM 7191 C GLU C 201 13.206 27.192 47.203 1.00 39.11 ATOM 7192 O GLU C 201 13.828 28.230 47.447 1.00 38.26 ATOM 7186 CB GLU C 201 14.638 25.598 45.799 1.00 50.67 ATOM 7187 CG GLU C 201 13.848 25.720 44.490 1.00 59.98 ATOM 7188 CD GLU C 201 14.648 25.600 43.176 1.00 66.83 ATOM 7189 OE1 GLU C 201 15.360 26.545 42.804 1.00 70.12 ATOM 7190 OE2 GLU C 201 14.528 24.572 42.496 1.00 69.25 ATOM 7193 N GLU C 202 11.871 27.183 47.019 1.00 35.96 ATOM 7195 CA GLU C 202 11.054 28.372 47.161 1.00 35.73 ATOM 7201 C GLU C 202 11.123 28.836 48.606 1.00 34.19 ATOM 7202 O GLU C 202 11.438 30.004 48.844 1.00 33.02 ATOM 7196 CB GLU C 202 9.615 28.084 46.810 1.00 40.24 ATOM 7197 CG GLU C 202 9.304 28.511 45.404 1.00 46.59 ATOM 7198 CD GLU C 202 9.237 30.026 45.282 1.00 51.74 ATOM 7199 OE1 GLU C 202 8.215 30.610 45.687 1.00 54.83 ATOM 7200 OE2 GLU C 202 10.215 30.602 44.788 1.00 52.46 ATOM 7203 N THR C 203 10.884 27.924 49.568 1.00 31.57 ATOM 7205 CA THR C 203 10.990 28.172 50.999 1.00 27.06 ATOM 7210 C THR C 203 12.330 28.808 51.298 1.00 22.47 ATOM 7211 O THR C 203 12.407 29.916 51.838 1.00 22.77 ATOM 7206 CB THR C 203 10.812 26.819 51.742 1.00 27.27 ATOM 7207 OG1 THR C 203 9.451 26.406 51.533 1.00 25.00 ATOM 7209 CG2 THR C 203 11.215 26.919 53.215 1.00 25.41 ATOM 7212 N GLN C 204 13.379 28.166 50.827 1.00 19.26 ATOM 7214 CA GLN C 204 14.727 28.691 50.968 1.00 21.50 ATOM 7222 C GLN C 204 14.870 30.128 50.465 1.00 21.15 ATOM 7223 O GLN C 204 15.365 31.030 51.144 1.00 23.06 ATOM 7215 CB GLN C 204 15.652 27.775 50.200 1.00 26.06 ATOM 7216 CG GLN C 204 17.128 28.120 50.171 1.00 31.34 ATOM 7217 CD GLN C 204 17.692 28.176 51.573 1.00 34.48 ATOM 7218 OE1 GLN C 204 17.395 27.324 52.424 1.00 36.87 ATOM 7219 NE2 GLN C 204 18.470 29.205 51.855 1.00 34.84 ATOM 7224 N ASN C 205 14.371 30.361 49.275 1.00 21.14 ATOM 7226 CA ASN C 205 14.527 31.622 48.590 1.00 24.97 ATOM 7233 C ASN C 205 13.749 32.730 49.268 1.00 20.35 ATOM 7234 O ASN C 205 14.250 33.834 49.444 1.00 20.11 ATOM 7227 CB ASN C 205 14.089 31.405 47.147 1.00 33.84 ATOM 7228 CG ASN C 205 14.015 32.678 46.304 1.00 43.39 ATOM 7229 OD1 ASN C 205 15.032 33.297 45.959 1.00 48.73 ATOM 7230 ND2 ASN C 205 12.811 33.111 45.906 1.00 44.55 ATOM 7235 N LEU C 206 12.538 32.470 49.719 1.00 18.08 ATOM 7237 CA LEU C 206 11.742 33.432 50.460 1.00 17.19 ATOM 7242 C LEU C 206 12.293 33.753 51.862 1.00 15.36 ATOM 7243 O LEU C 206 12.201 34.893 52.329 1.00 15.77 ATOM 7238 CB LEU C 206 10.341 32.868 50.566 1.00 19.87 ATOM 7239 CG LEU C 206 9.382 32.897 49.382 1.00 23.38 ATOM 7240 CD1 LEU C 206 8.245 31.893 49.535 1.00 20.80 ATOM 7241 CD2 LEU C 206 8.873 34.323 49.281 1.00 23.57 ATOM 7244 N SER C 207 12.828 32.771 52.576 1.00 13.80 ATOM 7246 CA SER C 207 13.428 32.970 53.862 1.00 12.64 ATOM 7250 C SER C 207 14.676 33.793 53.676 1.00 13.68 ATOM 7251 O SER C 207 14.945 34.673 54.498 1.00 17.23 ATOM 7247 CB SER C 207 13.795 31.641 54.448 1.00 13.44 ATOM 7248 OG SER C 207 12.667 30.803 54.539 1.00 13.74 ATOM 7252 N THR C 208 15.478 33.549 52.649 1.00 12.80 ATOM 7254 CA THR C 208 16.654 34.368 52.426 1.00 17.12 ATOM 7259 C THR C 208 16.310 35.803 52.089 1.00 18.83 ATOM 7260 O THR C 208 16.991 36.731 52.528 1.00 22.25 ATOM 7255 CB THR C 208 17.496 33.764 51.313 1.00 20.41 ATOM 7256 OG1 THR C 208 17.928 32.501 51.799 1.00 20.81 ATOM 7258 CG2 THR C 208 18.735 34.571 50.976 1.00 21.58 ATOM 7261 N ILE C 209 15.238 36.027 51.352 1.00 18.45 ATOM 7263 CA ILE C 209 14.801 37.368 51.015 1.00 17.77 ATOM 7268 C ILE C 209 14.430 38.058 52.293 1.00 19.12 ATOM 7269 O ILE C 209 14.932 39.156 52.533 1.00 20.30 ATOM 7264 CB ILE C 209 13.587 37.300 50.073 1.00 20.80 ATOM 7266 CG1 ILE C 209 14.079 36.825 48.705 1.00 22.14 ATOM 7265 CG2 ILE C 209 12.889 38.639 50.004 1.00 18.88 ATOM 7267 CD1 ILE C 209 12.955 36.520 47.708 1.00 24.23 ATOM 7270 N TYR C 210 13.644 37.349 53.119 1.00 16.48 ATOM 7272 CA TYR C 210 13.189 37.894 54.358 1.00 11.61 ATOM 7282 C TYR C 210 14.403 38.249 55.194 1.00 13.74 ATOM 7283 O TYR C 210 14.487 39.354 55.748 1.00 14.30 ATOM 7273 CB TYR C 210 12.331 36.886 55.055 1.00 10.68 ATOM 7274 CG TYR C 210 11.587 37.583 56.163 1.00 12.73 ATOM 7275 CD1 TYR C 210 12.178 37.790 57.390 1.00 15.11 ATOM 7277 CD2 TYR C 210 10.310 38.010 55.964 1.00 14.55 ATOM 7276 CE1 TYR C 210 11.518 38.414 58.420 1.00 14.67 ATOM 7278 CE2 TYR C 210 9.629 38.635 56.988 1.00 15.81 ATOM 7279 CZ TYR C 210 10.240 38.827 58.210 1.00 16.11 ATOM 7280 OH TYR C 210 9.562 39.410 59.257 1.00 19.40 ATOM 7284 N LEU C 211 15.390 37.381 55.280 1.00 14.75 ATOM 7286 CA LEU C 211 16.587 37.683 56.019 1.00 14.80 ATOM 7291 C LEU C 211 17.354 38.885 55.467 1.00 18.85 ATOM 7292 O LEU C 211 17.681 39.757 56.283 1.00 22.25 ATOM 7287 CB LEU C 211 17.481 36.462 56.020 1.00 11.78 ATOM 7288 CG LEU C 211 18.848 36.657 56.640 1.00 13.69 ATOM 7289 CD1 LEU C 211 18.744 37.200 58.048 1.00 12.94 ATOM 7290 CD2 LEU C 211 19.551 35.319 56.671 1.00 13.25 ATOM 7293 N ARG C 212 17.651 39.005 54.155 1.00 21.20 ATOM 7295 CA ARG C 212 18.475 40.097 53.605 1.00 19.54 ATOM 7308 C ARG C 212 17.804 41.418 53.885 1.00 17.21 ATOM 7309 O ARG C 212 18.449 42.387 54.280 1.00 15.39 ATOM 7296 CB ARG C 212 18.674 39.963 52.103 1.00 21.19 ATOM 7297 CG ARG C 212 19.338 38.663 51.703 1.00 26.88 ATOM 7298 CD ARG C 212 20.819 38.442 52.045 1.00 35.39 ATOM 7299 NE ARG C 212 21.237 37.128 52.626 1.00 43.49 ATOM 7301 CZ ARG C 212 21.843 36.073 51.995 1.00 45.50 ATOM 7302 NH1 ARG C 212 22.157 36.068 50.682 1.00 44.66 ATOM 7305 NH2 ARG C 212 22.182 34.989 52.733 1.00 46.57 ATOM 7310 N GLU C 213 16.480 41.463 53.798 1.00 19.05 ATOM 7312 CA GLU C 213 15.770 42.676 54.138 1.00 24.02 ATOM 7318 C GLU C 213 15.841 43.071 55.601 1.00 22.96 ATOM 7319 O GLU C 213 15.941 44.268 55.884 1.00 23.78 ATOM 7313 CB GLU C 213 14.339 42.572 53.764 1.00 27.80 ATOM 7314 CG GLU C 213 14.178 42.837 52.285 1.00 36.68 ATOM 7315 CD GLU C 213 12.715 43.122 51.960 1.00 44.59 ATOM 7316 OE1 GLU C 213 12.119 44.024 52.576 1.00 49.32 ATOM 7317 OE2 GLU C 213 12.166 42.437 51.099 1.00 46.28 ATOM 7320 N TYR C 214 15.856 42.124 56.560 1.00 20.69 ATOM 7322 CA TYR C 214 16.006 42.483 57.964 1.00 14.65 ATOM 7332 C TYR C 214 17.458 42.908 58.101 1.00 10.94 ATOM 7333 O TYR C 214 17.714 43.918 58.766 1.00 12.35 ATOM 7323 CB TYR C 214 15.668 41.276 58.927 1.00 14.73 ATOM 7324 CG TYR C 214 15.778 41.691 60.391 1.00 13.20 ATOM 7325 CD1 TYR C 214 14.791 42.437 61.033 1.00 13.07 ATOM 7327 CD2 TYR C 214 16.949 41.402 61.057 1.00 13.49 ATOM 7326 CE1 TYR C 214 14.977 42.909 62.335 1.00 14.32 ATOM 7328 CE2 TYR C 214 17.139 41.864 62.350 1.00 17.54 ATOM 7329 CZ TYR C 214 16.159 42.611 62.983 1.00 18.46 ATOM 7330 OH TYR C 214 16.361 43.002 64.288 1.00 23.04 ATOM 7334 N GLN C 215 18.443 42.265 57.462 1.00 11.37 ATOM 7336 CA GLN C 215 19.826 42.715 57.557 1.00 12.63 ATOM 7344 C GLN C 215 19.993 44.139 57.040 1.00 14.41 ATOM 7345 O GLN C 215 20.878 44.834 57.532 1.00 17.77 ATOM 7337 CB GLN C 215 20.711 41.803 56.779 1.00 12.87 ATOM 7338 CG GLN C 215 20.726 40.424 57.411 1.00 13.90 ATOM 7339 CD GLN C 215 21.751 39.529 56.756 1.00 15.62 ATOM 7340 OE1 GLN C 215 21.817 39.456 55.546 1.00 20.65 ATOM 7341 NE2 GLN C 215 22.618 38.806 57.418 1.00 14.93 ATOM 7346 N SER C 216 19.175 44.656 56.117 1.00 12.81 ATOM 7348 CA SER C 216 19.278 46.041 55.672 1.00 11.37 ATOM 7352 C SER C 216 18.848 46.983 56.784 1.00 14.00 ATOM 7353 O SER C 216 19.519 48.002 56.981 1.00 17.87 ATOM 7349 CB SER C 216 18.417 46.205 54.416 1.00 12.03 ATOM 7350 OG SER C 216 18.311 47.573 54.008 1.00 11.32 ATOM 7354 N LYS C 217 17.824 46.676 57.614 1.00 15.82 ATOM 7356 CA LYS C 217 17.392 47.526 58.733 1.00 13.25 ATOM 7365 C LYS C 217 18.492 47.649 59.782 1.00 13.63 ATOM 7366 O LYS C 217 18.672 48.718 60.380 1.00 16.83 ATOM 7357 CB LYS C 217 16.176 46.960 59.441 1.00 15.17 ATOM 7358 CG LYS C 217 14.942 46.754 58.625 1.00 20.00 ATOM 7359 CD LYS C 217 14.488 48.142 58.282 1.00 27.08 ATOM 7360 CE LYS C 217 13.194 48.113 57.491 1.00 32.77 ATOM 7361 NZ LYS C 217 12.204 49.019 58.063 1.00 36.84 ATOM 7367 N VAL C 218 19.236 46.550 60.032 1.00 14.05 ATOM 7369 CA VAL C 218 20.359 46.537 60.973 1.00 13.87 ATOM 7373 C VAL C 218 21.523 47.377 60.413 1.00 13.56 ATOM 7374 O VAL C 218 22.112 48.194 61.138 1.00 15.50 ATOM 7370 CB VAL C 218 20.810 45.055 61.247 1.00 14.71 ATOM 7371 CG1 VAL C 218 21.963 45.042 62.238 1.00 14.49 ATOM 7372 CG2 VAL C 218 19.685 44.232 61.876 1.00 17.94 ATOM 7375 N LYS C 219 21.888 47.206 59.134 1.00 11.11 ATOM 7377 CA LYS C 219 22.912 48.003 58.495 1.00 9.71 ATOM 7386 C LYS C 219 22.502 49.464 58.511 1.00 11.13 ATOM 7387 O LYS C 219 23.378 50.294 58.749 1.00 15.66 ATOM 7378 CB LYS C 219 23.143 47.539 57.046 1.00 10.19 ATOM 7379 CG LYS C 219 23.808 46.166 56.978 1.00 10.90 ATOM 7380 CD LYS C 219 24.218 45.862 55.565 1.00 12.73 ATOM 7381 CE LYS C 219 24.968 44.555 55.455 1.00 14.21 ATOM 7382 NZ LYS C 219 25.400 44.262 54.092 1.00 15.32 ATOM 7388 N ARG C 220 21.242 49.863 58.336 1.00 9.83 ATOM 7390 CA ARG C 220 20.872 51.265 58.410 1.00 10.49 ATOM 7403 C ARG C 220 21.107 51.785 59.797 1.00 14.37 ATOM 7404 O ARG C 220 21.297 52.982 59.968 1.00 14.69 ATOM 7391 CB ARG C 220 19.422 51.486 58.104 1.00 8.74 ATOM 7392 CG ARG C 220 19.153 51.368 56.646 1.00 7.80 ATOM 7393 CD ARG C 220 17.683 51.128 56.408 1.00 9.93 ATOM 7394 NE ARG C 220 16.871 52.305 56.679 1.00 11.88 ATOM 7396 CZ ARG C 220 15.603 52.431 56.238 1.00 10.96 ATOM 7397 NH1 ARG C 220 15.024 51.477 55.521 1.00 11.71 ATOM 7400 NH2 ARG C 220 14.862 53.514 56.528 1.00 7.79 ATOM 7405 N GLN C 221 21.064 50.917 60.804 1.00 17.48 ATOM 7407 CA GLN C 221 21.372 51.334 62.168 1.00 19.51 ATOM 7415 C GLN C 221 22.858 51.387 62.388 1.00 19.62 ATOM 7416 O GLN C 221 23.348 52.471 62.705 1.00 20.56 ATOM 7408 CB GLN C 221 20.838 50.397 63.261 1.00 18.04 ATOM 7409 CG GLN C 221 19.331 50.459 63.354 1.00 17.72 ATOM 7410 CD GLN C 221 18.816 51.830 63.792 1.00 18.39 ATOM 7411 OE1 GLN C 221 19.179 52.383 64.830 1.00 18.55 ATOM 7412 NE2 GLN C 221 17.918 52.403 63.010 1.00 16.61 ATOM 7417 N ILE C 222 23.618 50.301 62.206 1.00 16.73 ATOM 7419 CA ILE C 222 25.007 50.397 62.560 1.00 15.96 ATOM 7424 C ILE C 222 25.840 51.113 61.519 1.00 16.78 ATOM 7425 O ILE C 222 26.756 51.837 61.924 1.00 20.16 ATOM 7420 CB ILE C 222 25.568 48.996 62.862 1.00 18.29 ATOM 7422 CG1 ILE C 222 25.309 48.009 61.794 1.00 20.92 ATOM 7421 CG2 ILE C 222 24.850 48.486 64.116 1.00 21.37 ATOM 7423 CD1 ILE C 222 25.907 46.655 62.188 1.00 21.13 ATOM 7426 N PHE C 223 25.564 51.099 60.224 1.00 13.45 ATOM 7428 CA PHE C 223 26.436 51.845 59.325 1.00 12.80 ATOM 7436 C PHE C 223 26.272 53.344 59.358 1.00 12.54 ATOM 7437 O PHE C 223 27.225 54.079 59.081 1.00 15.84 ATOM 7429 CB PHE C 223 26.253 51.361 57.906 1.00 11.27 ATOM 7430 CG PHE C 223 26.799 49.962 57.716 1.00 11.89 ATOM 7431 CD1 PHE C 223 27.439 49.291 58.735 1.00 13.33 ATOM 7432 CD2 PHE C 223 26.645 49.353 56.491 1.00 13.68 ATOM 7433 CE1 PHE C 223 27.915 48.010 58.524 1.00 15.57 ATOM 7434 CE2 PHE C 223 27.119 48.076 56.278 1.00 13.07 ATOM 7435 CZ PHE C 223 27.758 47.397 57.296 1.00 13.87 ATOM 7438 N SER C 224 25.112 53.825 59.760 1.00 11.90 ATOM 7440 CA SER C 224 24.894 55.234 59.832 1.00 13.06 ATOM 7444 C SER C 224 25.739 55.933 60.880 1.00 16.14 ATOM 7445 O SER C 224 25.894 57.157 60.793 1.00 19.89 ATOM 7441 CB SER C 224 23.430 55.443 60.088 1.00 16.02 ATOM 7442 OG SER C 224 22.760 55.006 58.910 1.00 19.29 ATOM 7446 N ASP C 225 26.310 55.271 61.895 1.00 15.07 ATOM 7448 CA ASP C 225 27.184 55.963 62.842 1.00 12.18 ATOM 7453 C ASP C 225 28.472 56.411 62.167 1.00 12.12 ATOM 7454 O ASP C 225 29.117 57.330 62.662 1.00 12.73 ATOM 7449 CB ASP C 225 27.599 55.099 64.032 1.00 11.40 ATOM 7450 CG ASP C 225 26.454 54.552 64.885 1.00 15.66 ATOM 7451 OD1 ASP C 225 25.338 55.082 64.922 1.00 15.19 ATOM 7452 OD2 ASP C 225 26.660 53.538 65.534 1.00 17.49 ATOM 7455 N TYR C 226 28.853 55.833 61.027 1.00 11.55 ATOM 7457 CA TYR C 226 30.063 56.224 60.309 1.00 12.80 ATOM 7467 C TYR C 226 29.876 57.326 59.266 1.00 13.93 ATOM 7468 O TYR C 226 30.853 57.733 58.632 1.00 11.76 ATOM 7458 CB TYR C 226 30.632 55.051 59.581 1.00 13.17 ATOM 7459 CG TYR C 226 30.853 53.883 60.511 1.00 16.92 ATOM 7460 CD1 TYR C 226 31.848 53.950 61.467 1.00 16.22 ATOM 7462 CD2 TYR C 226 30.090 52.752 60.320 1.00 17.73 ATOM 7461 CE1 TYR C 226 32.098 52.859 62.252 1.00 14.99 ATOM 7463 CE2 TYR C 226 30.340 51.657 61.096 1.00 16.38 ATOM 7464 CZ TYR C 226 31.338 51.725 62.052 1.00 17.83 ATOM 7465 OH TYR C 226 31.603 50.591 62.800 1.00 18.20 ATOM 7469 N GLN C 227 28.632 57.748 58.991 1.00 15.84 ATOM 7471 CA GLN C 227 28.312 58.755 57.985 1.00 17.24 ATOM 7479 C GLN C 227 28.825 60.124 58.442 1.00 19.72 ATOM 7480 O GLN C 227 28.422 60.607 59.496 1.00 18.51 ATOM 7472 CB GLN C 227 26.775 58.746 57.777 1.00 15.54 ATOM 7473 CG GLN C 227 26.146 59.782 56.853 1.00 15.33 ATOM 7474 CD GLN C 227 26.810 60.017 55.502 1.00 16.16 ATOM 7475 OE1 GLN C 227 26.769 61.137 54.983 1.00 19.82 ATOM 7476 NE2 GLN C 227 27.428 59.038 54.876 1.00 11.74 ATOM 7481 N SER C 228 29.674 60.775 57.649 1.00 20.61 ATOM 7483 CA SER C 228 30.253 62.043 58.021 1.00 21.65 ATOM 7487 C SER C 228 29.710 63.016 56.986 1.00 22.35 ATOM 7488 O SER C 228 29.609 62.727 55.781 1.00 22.49 ATOM 7484 CB SER C 228 31.761 61.952 57.940 1.00 23.15 ATOM 7485 OG SER C 228 32.401 62.885 58.803 1.00 28.72 ATOM 7489 N GLU C 229 29.247 64.150 57.483 1.00 21.31 ATOM 7491 CA GLU C 229 28.639 65.115 56.593 1.00 20.75 ATOM 7497 C GLU C 229 29.701 66.078 56.040 1.00 21.44 ATOM 7498 O GLU C 229 30.691 66.430 56.701 1.00 21.98 ATOM 7492 CB GLU C 229 27.521 65.840 57.366 1.00 16.97 ATOM 7493 CG GLU C 229 26.484 64.907 58.003 1.00 17.41 ATOM 7494 CD GLU C 229 25.713 63.945 57.085 1.00 19.16 ATOM 7495 OE1 GLU C 229 25.615 64.133 55.874 1.00 20.23 ATOM 7496 OE2 GLU C 229 25.192 62.966 57.589 1.00 21.53 ATOM 7499 N VAL C 230 29.439 66.492 54.793 1.00 23.14 ATOM 7501 CA VAL C 230 30.301 67.346 53.958 1.00 23.33 ATOM 7505 C VAL C 230 29.766 68.778 53.903 1.00 23.97 ATOM 7506 O VAL C 230 28.542 68.970 53.777 1.00 25.66 ATOM 7502 CB VAL C 230 30.370 66.774 52.495 1.00 20.76 ATOM 7503 CG1 VAL C 230 31.207 67.703 51.594 1.00 20.82 ATOM 7504 CG2 VAL C 230 30.919 65.331 52.546 1.00 20.16 ATOM 7507 N ASP C 231 30.647 69.791 53.967 1.00 23.46 ATOM 7509 CA ASP C 231 30.211 71.156 53.818 1.00 26.68 ATOM 7514 C ASP C 231 30.297 71.287 52.309 1.00 25.59 ATOM 7515 O ASP C 231 31.384 71.446 51.754 1.00 25.39 ATOM 7510 CB ASP C 231 31.171 72.125 54.477 1.00 33.08 ATOM 7511 CG ASP C 231 30.807 73.612 54.360 1.00 39.19 ATOM 7512 OD1 ASP C 231 30.389 74.104 53.303 1.00 41.57 ATOM 7513 OD2 ASP C 231 30.968 74.310 55.357 1.00 43.04 ATOM 7516 N ILE C 232 29.140 71.246 51.649 1.00 25.62 ATOM 7518 CA ILE C 232 29.079 71.244 50.193 1.00 24.68 ATOM 7523 C ILE C 232 29.511 72.582 49.629 1.00 23.30 ATOM 7524 O ILE C 232 30.233 72.603 48.630 1.00 18.74 ATOM 7519 CB ILE C 232 27.645 70.873 49.767 1.00 24.78 ATOM 7521 CG1 ILE C 232 27.371 69.383 49.985 1.00 24.52 ATOM 7520 CG2 ILE C 232 27.491 71.077 48.299 1.00 25.82 ATOM 7522 CD1 ILE C 232 25.879 69.080 49.987 1.00 25.31 ATOM 7525 N TYR C 233 29.119 73.669 50.284 1.00 24.67 ATOM 7527 CA TYR C 233 29.514 74.983 49.835 1.00 30.01 ATOM 7537 C TYR C 233 31.024 75.117 49.830 1.00 32.87 ATOM 7538 O TYR C 233 31.525 75.573 48.810 1.00 32.69 ATOM 7528 CB TYR C 233 28.939 76.096 50.714 1.00 31.04 ATOM 7529 CG TYR C 233 27.522 76.515 50.306 1.00 33.67 ATOM 7530 CD1 TYR C 233 27.337 77.315 49.187 1.00 34.54 ATOM 7532 CD2 TYR C 233 26.418 76.086 51.025 1.00 31.73 ATOM 7531 CE1 TYR C 233 26.054 77.670 48.789 1.00 35.52 ATOM 7533 CE2 TYR C 233 25.146 76.452 50.621 1.00 34.24 ATOM 7534 CZ TYR C 233 24.950 77.238 49.503 1.00 34.14 ATOM 7535 OH TYR C 233 23.657 77.585 49.108 1.00 34.69 ATOM 7539 N ASN C 234 31.830 74.672 50.792 1.00 36.81 ATOM 7541 CA ASN C 234 33.264 74.912 50.676 1.00 41.81 ATOM 7548 C ASN C 234 33.940 73.923 49.706 1.00 39.94 ATOM 7549 O ASN C 234 34.941 74.245 49.045 1.00 39.49 ATOM 7542 CB ASN C 234 33.833 74.902 52.126 1.00 49.79 ATOM 7543 CG ASN C 234 34.898 73.869 52.489 1.00 57.61 ATOM 7544 OD1 ASN C 234 34.586 72.726 52.853 1.00 61.67 ATOM 7545 ND2 ASN C 234 36.192 74.184 52.454 1.00 59.80 ATOM 7550 N ARG C 235 33.350 72.747 49.500 1.00 37.51 ATOM 7552 CA ARG C 235 33.853 71.769 48.542 1.00 38.07 ATOM 7565 C ARG C 235 33.817 72.254 47.079 1.00 41.23 ATOM 7566 O ARG C 235 34.730 72.053 46.263 1.00 42.32 ATOM 7553 CB ARG C 235 33.022 70.526 48.691 1.00 35.53 ATOM 7554 CG ARG C 235 33.691 69.337 48.104 1.00 35.17 ATOM 7555 CD ARG C 235 34.263 68.526 49.239 1.00 34.89 ATOM 7556 NE ARG C 235 33.768 67.223 48.881 1.00 35.91 ATOM 7558 CZ ARG C 235 33.852 66.150 49.655 1.00 33.17 ATOM 7559 NH1 ARG C 235 34.421 66.143 50.874 1.00 31.22 ATOM 7562 NH2 ARG C 235 33.306 65.060 49.139 1.00 30.97 ATOM 7567 N ILE C 236 32.689 72.875 46.760 1.00 44.02 ATOM 7569 CA ILE C 236 32.393 73.444 45.452 1.00 49.07 ATOM 7574 C ILE C 236 32.984 74.814 45.216 1.00 55.04 ATOM 7575 O ILE C 236 33.320 75.162 44.090 1.00 53.10 ATOM 7570 CB ILE C 236 30.880 73.427 45.366 1.00 47.25 ATOM 7572 CG1 ILE C 236 30.661 72.030 44.890 1.00 46.13 ATOM 7571 CG2 ILE C 236 30.202 74.528 44.535 1.00 47.63 ATOM 7573 CD1 ILE C 236 29.222 71.681 45.101 1.00 47.32 ATOM 7576 N ARG C 237 33.143 75.599 46.284 1.00 64.33 ATOM 7578 CA ARG C 237 33.707 76.941 46.292 1.00 73.55 ATOM 7591 C ARG C 237 35.054 77.118 45.586 1.00 79.82 ATOM 7592 O ARG C 237 35.629 78.210 45.627 1.00 81.55 ATOM 7579 CB ARG C 237 33.717 77.313 47.779 1.00 76.60 ATOM 7580 CG ARG C 237 34.660 78.247 48.537 1.00 81.16 ATOM 7581 CD ARG C 237 36.064 77.686 48.815 1.00 83.85 ATOM 7582 NE ARG C 237 36.831 78.647 49.589 1.00 87.13 ATOM 7584 CZ ARG C 237 37.227 79.847 49.120 1.00 89.49 ATOM 7585 NH1 ARG C 237 36.977 80.289 47.884 1.00 90.20 ATOM 7588 NH2 ARG C 237 37.834 80.694 49.950 1.00 90.62 ATOM 7593 N ASP C 238 35.658 76.103 44.956 1.00 85.80 ATOM 7595 CA ASP C 238 36.852 76.298 44.135 1.00 90.03 ATOM 7600 C ASP C 238 36.486 76.215 42.633 1.00 92.92 ATOM 7601 O ASP C 238 37.116 76.894 41.809 1.00 93.68 ATOM 7596 CB ASP C 238 37.895 75.242 44.540 1.00 89.63 ATOM 7597 CG ASP C 238 38.121 75.133 46.054 1.00 89.72 ATOM 7598 OD1 ASP C 238 38.069 76.124 46.796 1.00 88.05 ATOM 7599 OD2 ASP C 238 38.344 74.010 46.493 1.00 92.09 ATOM 7602 N GLU C 239 35.471 75.409 42.270 1.00 95.52 ATOM 7604 CA GLU C 239 34.868 75.245 40.945 1.00 98.05 ATOM 7610 C GLU C 239 33.879 74.055 41.037 1.00100.09 ATOM 7611 O GLU C 239 34.012 73.237 41.972 1.00100.78 ATOM 7605 CB GLU C 239 35.943 74.974 39.838 1.00 97.86 ATOM 7606 CG GLU C 239 36.789 73.688 39.858 1.00 97.89 ATOM 7607 CD GLU C 239 36.341 72.577 38.892 1.00 97.54 ATOM 7608 OE1 GLU C 239 36.721 72.620 37.714 1.00 96.99 ATOM 7609 OE2 GLU C 239 35.632 71.659 39.320 1.00 96.89 ATOM 7612 N LEU C 240 32.950 74.091 40.038 1.00100.34 ATOM 7614 CA LEU C 240 31.841 73.174 39.703 1.00 99.79 ATOM 7619 C LEU C 240 31.127 72.332 40.779 1.00 98.92 ATOM 7620 O LEU C 240 30.806 71.146 40.608 1.00 96.82 ATOM 7615 CB LEU C 240 32.320 72.238 38.559 1.00 99.84 ATOM 7616 CG LEU C 240 32.640 72.736 37.147 1.00 99.23 ATOM 7617 CD1 LEU C 240 32.992 71.532 36.276 1.00 99.69 ATOM 7618 CD2 LEU C 240 31.464 73.424 36.523 1.00 97.81 ATOM 7621 OXT LEU C 240 30.802 72.954 41.784 1.00 99.64 TER LEU C 240 HETATM 4173 C1 GAL G 104 32.384 85.869 73.950 1.00 42.06 HETATM 4175 O1 GAL G 104 33.051 87.101 73.857 1.00 45.71 HETATM 4177 C2 GAL G 104 30.956 86.075 74.509 1.00 41.65 HETATM 4178 O2 GAL G 104 31.025 86.818 75.707 1.00 43.52 HETATM 4181 C3 GAL G 104 30.305 84.687 74.739 1.00 39.21 HETATM 4183 O3 GAL G 104 28.959 84.827 75.150 1.00 37.55 HETATM 4185 C4 GAL G 104 30.393 83.845 73.435 1.00 35.88 HETATM 4187 O4 GAL G 104 29.542 84.348 72.454 1.00 33.17 HETATM 4189 C5 GAL G 104 31.811 83.823 72.850 1.00 37.26 HETATM 4191 O5 GAL G 104 32.291 85.163 72.695 1.00 40.81 HETATM 4192 C6 GAL G 104 31.819 83.142 71.498 1.00 33.68 HETATM 4195 O6 GAL G 104 33.117 83.045 71.033 1.00 31.81 HETATM 8060 OH2 H2O W 147 35.859 82.702 72.378 1.00 28.41 HETATM 8078 OH2 H2O W 153 35.359 84.856 70.424 1.00 35.67 HETATM 8429 OH2 H2O W 270 33.405 87.097 76.983 1.00 63.20 HETATM 8495 OH2 H2O W 292 28.969 80.709 70.535 1.00 35.13 HETATM 8501 OH2 H2O W 294 28.184 88.206 72.150 1.00 72.29 HETATM 8504 OH2 H2O W 295 34.654 84.173 77.178 1.00 49.53 END Raster3D_3.0-2/./examples/example3.script0000775000471100047110000000044211327673235020117 0ustar merrittmerritt#!/bin/csh # E A Merritt March 1993 # Illustration of simple figure using Raster3D # Assumes ImageMagick installed, if you are using the SGI libimage # version instead, then try: # render -sgi example3.rgb < example3.r3d; ipaste example3.rgb # render -png < example3.r3d | display png:- Raster3D_3.0-2/./examples/example5.script0000775000471100047110000000207511327673235020125 0ustar merrittmerritt#!/bin/csh # E A Merritt November 2000 # Illustration of complex figure created by merging files from # Raster3D, Molscript, and GRASP. # This example also test on-the-fly uncompression of input files, # and in-line specification of post-rotation and translation. # # We start with # 1) example3.r3d # This is the Raster3D input file created by Molscript in example3. # Molscript has already normalized the input coordinates so that # the transformation matrix is the identity matrix. Molscript V1 # used to re-scale also, but as of version 2 the coordinates are # still in orthogonal Angstroms. # 2) gal.srf # A GRASP surface file describing the molecular surface of the # galactose residue taken from the same PDB file as used in example3. # 3) gal_srf.r3d.gz # A Raster3D input file created by running the "ungrasp" utility # on the file gal.srf and then compressing it using gzip. # 4) ex5_matrix.r3d # A rotation matrix and translation corresponding to that already # used by Molscript in example3. # render -png < example5.r3d | display png:- Raster3D_3.0-2/./examples/example9.script0000775000471100047110000000277511327673235020140 0ustar merrittmerritt#!/bin/csh # # Thermal ellipsoid representations # GM1-pentasaccharide from a complex with the cholera toxin B-pentamer # refined with anisotropic displacement parameters at 1.25A resolution # # Warning: display -geometry changed to display -resize # in an attempt to hit the ever-moving target of ImageMagick syntax # rm -rf setup.angles setup.matrix temp.tmp # rods < sugarG.pdb | render | display -resize 50%x50% -geometry +0+0 -title GM1-OS png:- & sleep 3 # rastep < sugarG.pdb | render | display -resize 50%x50% -geometry +350+0 -title "50% probability" png:- & sleep 3 # rastep -fancy2 -prob 30< sugarG.pdb | render | display -resize 50%x50% -geometry +700+0 -title "fancy2 30% probability" png:- & sleep 3 # rastep -fancy3 < sugarG.pdb | render | display -resize 50%x50% -geometry +0+350 -title "fancy3" png:- & sleep 3 # rastep -Bcolor 6. 26. < sugarG.pdb | render | display -resize 50%x50% -geometry +350+350 -title "colored by B value" png:- & sleep 3 # rastep -fancy6 -Bcolor 6. 26. < sugarG.pdb | render | display -resize 50%x50% -geometry +700+350 -title "fancy6 for ORTEP lovers" png:- & sleep 3 # echo "" echo "" echo "%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%" echo "" echo "In a minute you should have 6 windows in the upper left of your display," echo "illustrating different thermal ellipsoid options in the rastep program." echo "" echo "%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%" echo "" Raster3D_3.0-2/./examples/example7.jpeg0000664000471100047110000005742511327673235017556 0ustar merrittmerrittÿØÿàJFIFY,ÿÛC     ÿÛC   ÿÂ"ÿÄÿÄÿÚ ðâüû§°ë7èþnvã9gX»9œ[em•¡ú?jró?‡ìGãCM3©Ëˉ}F|ˆ€=‡Y¿Gós·yË:ÀýÙÌâÛ(ól¨¥ÑøS—™ü?b?i˜íNX&X”Kê3äD²ôkŽý>‘ƒ”›zl_3íßuó Ñ¿Ìu!ºÔøôãs ñù37½±R)OqÉa¸_Mç|®Ö×Ì$Ä{o)ákú\,hÇ“YVçˆRƒ¬½Ç'c¿O£ä`å&Þ›ÌûEwÝ|ÂtFïóHnµ>=8Üè<~LÍïlTŠSÜrXnÓyßÆ+µµó 1ÇÊxZþ— Ú#qäÖU¹â Ò]Ы"Š€²­¸(’î€ûø¨ %YT•mÁD›]?TÓö“ÒóMoÂÒÌïMeÿZH6Vò¸™,ž“?oœ]D­¨Úlª~çrE~çk´è V×ï?³+-9kþ†ÒóÂD›-ršŒ½ 9"M.ŸªiûIéy¦·áifwŽ¦²Šÿ­$+y\L–OIŸ·Î.¢VÔm6U?s¹"¿sŠµÚt+k÷ŸÙ•–œµƒCiyá"?Í–¹MF^ëÉ)1‰@¸Š‚À¯$¤Æ$~âwFa¤ˆÒ™}jÓúùyëš‹oªì©´µãÓI¸ÝŽoÈä„<; C£.ÕS4®hlcƒÏ\ÓÜýO]5¥¯.šÍÈ먼ÎJ¡àX: i}ëKΛH_Y‹ö|®œù¶îµ“BÓ)÷Y{¦ô)–µ_+È@µœh¥çXÐÕâúŸ'§>m»çØP4ÎnoôÕ z˜åxRù—ÏØÚã'°¯>zuÌŽ­É6@©|Ë‹gëís’Ø@ߟ=:â?ÇB×äÚüH¸–Ön<µÜ/ß ô¾o¢GúN›jY4|¥D|g×É[]G­ÐÏyc]`¸.,+“!mÃ÷Úîúº‹ê».©fRòS”¨ˆáúù+3l¨-g–©yGPöÑ1Íýü]Þ×9Ét^”ZNÏ_{þî“âüàjÞ·¬sý8h,›S÷KéÚmæZßÜô+yh*>WÏŒ0Ð~Ÿ|õv/Smù9Í–ÓeëæÔ oÛMO7캨­©_ÁûøF ¿‹f•_š'f2ëƒ-Cmçõób oû²Êè¾Ï«-*ã¸æ ` ˆF²øs+c1W~?~¦Ú¨[.¬qIüÀ¿añÖG>e-`q!×—OCKoªMo£\ŠÚ§ç±Àâl'\ÜËûù`©½–,ßÉ%KxŒi–úôh3§ž÷ôO:Œ8 ó“]:çùjt3®S/ìÕl<¶_ô߇ONOëu`Óʤíó…0¯0´3²öÇwåß‹vX€®ìò6¶Ã}æœùß´2Ä µªÖÎÕ•{›‹uù¿îÆ…ž~fë‚ØÙ>™xò|×¾øxƒ8÷ñw7“I¹•nüMÕDcOõ·…:b,6|¦µøÏêÏåëqÄÔ?dFL„@SòïoëîÊÐjr™é>¦]NyÜN¬à·?Δñ‡^`."d"ZÕ_믯ù´xGG§ÇKQõËÏòÄe:,8“¥H§:sH tæH ÿÄ,@ 1!"$#P5`pÿÚõšZ¿ôKWϾ?áÞÙ­Õ¥šØ¼O5ôK¥Z}$:jÏä?ÓÆMÛG s²½pq¯¿¢qÀƒƒ}ÒqEû¦¶²­‹¥‹ŽmǧûOé|ü-³[«K5±xžk:è—J´úHt՟ȧŒš¶Žçezàã_Dãû¤â‹÷Mme[KÛOöŸÓ§5 ³½MòÙélnžMúk=W#5©C¦*¦n(~9ù}+Ò«‹â{B_Ó@’3?§(¢fFý8£Ú>È9 ½@á&.m©š ^£ Üéí f©]¤‘üCÿ«~žéúvKÙT‹(?Ìz%©Ô(všº¿apÜýzsP«;Ôß-ž–ÆéäÐo¦³Õr3Z”:bªfâ‡ãŸ—Ò½*¸¾'´%ý4 #3úyÒŠ&doÓŠ=£ìƒ:<»ÔRbáæÐxÚ™ Õê0¢ ΞÚj•ÚIÁt?ú·éd½•H±‚ƒüÇ¢ZB‡i««ö ÏÐd°H~¯Ùd];¸ºè1­uN Ñ×utI½ U¢Ã5wCDcê}AǘÐ8ôWÝÐ#빧ËoèÛºwÌ gJÝC¥w˜Ùu³±½ ÙßØwSŠj6€…¸ø Ñ\Ël¼£cÛxN/ÔJŠ4Zªß É`ý_²ÈºwquÐcZêA¢5®êè“{@ªE†jîþ†ˆÇÔú‚1 qè0$¯» F×sO–ßÑ·tï˜Î,•º‡Jï1²ëgc{A³¿°î§Ôm qð A¢¹–ÙyFǶðœ_¨4•hµU¿õ:RĹR(«jÍ-úS3û¼”¥”±.TŠ*Ú³K~TÌþï%)_Ô¬êBRNv“„áqÁ˜¦l\ð©§+É;CrSÜû-íú¢_¶újÂyÊÛâmºüãÒéBòÖ·ÄÛuùÓÒÉ‚ò}§Ð+rJ&è\CÓ‘@fÀöX&È¿_#Ú}·$¢n†Ä=9Q:)²ÀÉKK—ˆ‹x]¡{ETó26¨Y€ Ï=ýø&Š™÷žgŸé³©];ø@T¬ú¤½Î×Ø´n¤²A™çóÁ4PòÖ›O5—+ê|«á%¢DäéÁý57Óä%rIs}…û$ý~+ Á]‹­uö"UšX7Š+6¿f[Ú¹•´V ÿT_²wÐX5§…[MyïïÁÏĺæú»×·riv•ƒ×Éþ9kM¸ øŸjò +èZy ^/ÿâ(ìøõ{ ?ãˆçIùªí·¥S¸‚¿*ÅÈÎ!…N#óGjé½FÍEj¹ÆpXñ; þŠ]°qbfÏ¿v-è(ùBö¢u¼×‹¶OóáV²KL|gÑB¸§°µ¸ë÷nÞ«û¬§¿÷? 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./msms2r3d.pl surf.face surf.vert > surf.r3d # # # Use rastep to make an auto-centered ball+stick view of the molecule # rastep -auto -rad 0.20 -prob 0.10 < protein.pdb > protein.r3d # # Combine the ball+stick figure with a transparent material # description from the Raster3D library # applied to the molecular surface generated in MSMS # Save the combined picture as a TIFF file # render -size 800x800 -zoom 75% -transparent -tiff picture.tiff << EOF @protein.r3d @translucent_60 @surf.r3d EOF # rm -f protein.pdb msms_surf.dat.log rm -f surf.dat surf.face surf.vert rm -f surf.r3d rm -f protein.r3d display -geometry 50% picture.tiff& Raster3D_3.0-2/./examples/msms/CVS/0000775000471100047110000000000011346540072016553 5ustar merrittmerrittRaster3D_3.0-2/./examples/msms/CVS/Repository0000664000471100047110000000002711346540072020654 0ustar merrittmerrittRaster3D/examples/msms Raster3D_3.0-2/./examples/msms/CVS/Entries0000664000471100047110000000024311346540072020106 0ustar merrittmerritt/README/1.1.1.1/Tue Jan 26 23:11:25 2010//Tv3-0 /msms2r3d.c/1.1.1.1/Tue Jan 26 23:11:25 2010//Tv3-0 /msms_example.script/1.1.1.1/Tue Jan 26 23:11:25 2010//Tv3-0 D Raster3D_3.0-2/./examples/msms/CVS/Root0000664000471100047110000000005111346540072017415 0ustar merrittmerrittmerritt@verdandi:/usr/local/src/raster3d Raster3D_3.0-2/./examples/msms/CVS/Tag0000664000471100047110000000000611346540072017205 0ustar merrittmerrittTv3-0 Raster3D_3.0-2/./examples/msms/msms2r3d.c0000664000471100047110000001652311327673235017754 0ustar merrittmerritt/* * msms2r3d * * Convert output files from molecular surface generation program msms * (written by Michael Sanner, Scripps Institute) into a Raster3D description * file. * Msms creates paired files, xxx.vert and xxx.face * The *.vert file contains all the vertex coordinates and normals. * The *.face file contains triples of indices into the list of vertices; * each triple describes the corners of a triangle. The entire set of * triangles so described constitues a mesh description of the molecular * surface. */ #include #include main() { FILE *vertfile, *facefile; FILE *atomfile, *r3dfile; char vertname[64], facename[64]; char atomname[64], r3dname[64]; char line[256], line1[256], line2[256], line3[256]; int colorflag; typedef struct { float x, y, z; float xnorm, ynorm, znorm; float red, green, blue; int nearest_atom; } VERTEX ; VERTEX *vertex; typedef struct { float x, y, z; float radius; float q; } ATOM ; ATOM *atom; int nvert, nface, natoms; int i; int t1, t2, t3; int ierr, junk; int iatom; float red, green, blue; float q, qmin, qmax; /* Open input files */ printf("\nFile containing vertices: "); scanf("%s", vertname); vertfile = fopen(vertname,"r"); if (!vertfile) { fprintf(stderr,"\nCannot open file %s\n",vertname); exit(-1); } printf("File containing faces : "); scanf("%s", facename); facefile = fopen(facename,"r"); if (!facefile) { fprintf(stderr,"\nCannot open file %s\n",facename); exit(-1); } printf("Raster3D output file : "); scanf("%s", r3dname); r3dfile = fopen(r3dname,"w"); if (!r3dfile) { fprintf(stderr,"\nCannot open file %s\n",r3dname); exit(-1); } /* Have a look at the header records in the vertex file. */ /* I suspect that the 2nd line should be parsed to determine the */ /* actual file contents, but the current documentation doesn't */ /* indicate what other items might be on the line. So for now */ /* I'll assume that it must contain the number of vertices as the */ /* first item on the line. */ fgets( line1, sizeof(line1), vertfile ); printf("\n%s", line1); fgets( line2, sizeof(line2), vertfile ); printf("%s", line2); fgets( line3, sizeof(line3), vertfile ); printf("%s", line3); sscanf( line3, "%d %d", &nvert, &natoms ); vertex = (VERTEX *)calloc( nvert+1, sizeof(VERTEX) ); printf("Reading %d vertices from %s\n", nvert, vertname); for (i=1; i<=nvert; i++) { fgets( line, sizeof(line), vertfile ); ierr = sscanf( line, "%f %f %f %f %f %f %d %d %d", &(vertex[i].x),&(vertex[i].y),&(vertex[i].z), &(vertex[i].xnorm),&(vertex[i].ynorm),&(vertex[i].znorm), &junk, &vertex[i].nearest_atom, &junk ); if (ierr != 9) { fprintf(stderr,"Error reading vertex %d",i); exit(-1); } } fclose(vertfile); /* May need another file also, to generate coloring. */ /* Note that I am assuming one more quantity per line than */ /* is described in the documentation for thie file. */ /* This means that the pdb_to_xyzr script must be modified */ /* accordingly. */ printf("\nDo you want to color the surface? [y/N] "); scanf("%s",line); colorflag = (line[0] == 'Y' || line[0] == 'y'); if (colorflag) { qmin = 999999.; qmax = -999999.; printf("\nFile containing sphere (atom) centers and coloring information: "); scanf("%s", atomname); atomfile = fopen(atomname,"r"); if (!atomfile) { fprintf(stderr,"\nCannot open file %s\n",atomname); exit(-1); } atom = (ATOM *)calloc( natoms+1, sizeof(ATOM) ); printf("Reading %d atom centers from %s\n", natoms, atomname); for (i=1; i<=natoms; i++) { fgets( line, sizeof(line), atomfile ); ierr = sscanf( line, "%f %f %f %f %f", &(atom[i].x), &(atom[i].y), &(atom[i].z), &(atom[i].radius), &(atom[i].q) ); if (ierr != 5) { fprintf(stderr, "Error reading atom %d", i); exit(-1); } if (atom[i].q < qmin) qmin = atom[i].q; if (atom[i].q > qmax) qmax = atom[i].q; } fclose(atomfile); printf("Qmin = %8.3f\tQmax = %8.3f\n\n",qmin,qmax); } /* Now we actually assign the colors for each vertex, based on the */ /* nearest atomic center. This is not really all that great. */ /* It would be better to take the coordinates of the vertex and */ /* look up or caculate the coloring quantity directly, but that */ /* will have to wait for another day. */ if (colorflag) { for (i=1; i<=nvert; i++) { iatom = vertex[i].nearest_atom; q = atom[iatom].q; if (q > 0) { vertex[i].red = 0.454545 * (1.2 + q/qmax); vertex[i].green = 0.454545 * (1.2 - q/qmax); vertex[i].blue = 0.454545 * (1.2 - q/qmax); } else { vertex[i].red = 0.454545 * (1.2 - q/qmin); vertex[i].green = 0.454545 * (1.2 - q/qmin); vertex[i].blue = 0.454545 * (1.2 + q/qmin); } vertex[i].red = vertex[i].red * vertex[i].red ; vertex[i].green = vertex[i].green * vertex[i].green ; vertex[i].blue = vertex[i].blue * vertex[i].blue ; } } /* So far, so good. Initialize Raster3D output file.*/ fprintf( r3dfile, "# Surface description converted by program msms2r3d\n"); fprintf( r3dfile, "#%s", line1 ); fprintf (r3dfile, "# \n" ); /* Since I don't yet know how to pick up colors, set them all to white */ red = green = blue = 0.8 ; /* Similar treatment of face file, except that as we go we convert */ /* each line into a single Raster3D TRIANGLE descriptor with */ /* explicit vertex normals. */ /* The next step is obviously explicit colors, but I don't yet know */ /* where to pick them up from. */ fgets( line1, sizeof(line1), facefile ); printf("%s", line1); fgets( line2, sizeof(line2), facefile ); printf("%s", line2); fgets( line3, sizeof(line3), facefile ); printf("%s", line3); sscanf( line3, "%d", &nface ); printf("Reading %d faces from %s\n", nface, facename); for (i=0; i=¦˜Ð ·Œø¾y3÷8/_¡ôäÍ,ŽÜcqäæM!?{ŠÛ-ó\‘݈srܺ_,ÚV¾yZós¢Ìz½KžØNMýì—dq–Šú_d3Êç:’½ÌfÜ-š OžH#Ï¢Õ©ö?{‡Ýë(åÏÖâ%˜ûŽWJ»ÚÙ–~ÎŽœµ!ÇÜ´ÿ§·€ò]Áèœ'âé'&—ß‚&©#] 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#$ósvù…³Vîðg†åFõ5_anƒß™Ûy‚/šârÚ²OM~dÔ=Ìú™­šÄéÂð×5ÁæøüÔf÷ºŽÁðv®ìŸŽ&çcÿ%…R²{ÞMÍ-˜87žB"(Ë!\V+ìÛ-56;Íf_þ#¹üUk¥èhjX‹x£c»Gùïøà|U»…wKäbxµÜƵ÷Ÿ^a}áy…lÆÉŠf©ß {ƒ H¡P{ŽƒpËè'ÎßÕ¼~jy…æ®3ìžM”¼Á”Õm®¶ÜòÚ˜À8¹šÖ†WÁ3%aÚrïP×p6ªpsÀÏÃø¨ ϶ Â>Kt®†f‹nÛx‚£Nj7z^„ñðöýKWˆXøŠM«áÔ÷w`ËÆŠ‘ÚõsjpÉö^Æø˃Ë<>ÚÖW$+Ú;aÔÆF°ŽÚ¹Îß##ðEïÚX¨·N××±à|ýTf^±c>ŸA-Úh7íúpD\ˆ€""ˆˆ" ˆ€""ˆˆ" ?ÿÙRaster3D_3.0-2/./examples/example4.script0000775000471100047110000000047111327673235020122 0ustar merrittmerritt#!/bin/csh # E A Merritt April 2002 # Illustration of combined Molscript/Raster3D application # # This should produce the same image as in example3 # Assumes that Molscript is installed somewhere, and that # you have built JPEG support into Raster3D # molscript -r < example3.mol | render -jpeg | display jpeg:- Raster3D_3.0-2/./examples/header1.r3d0000664000471100047110000000077111327673235017100 0ustar merrittmerrittExample of material properties and file indirection 80 64 tiles in x,y 8 8 pixels (x,y) per tile 4 3x3 virtual pixels -> 2x2 pixels 0 0.1 0 background colour T cast shadows 25 Phong power 0.15 secondary light contribution 0.05 ambient light contribution 0.25 specular reflection component 4.0 eye position 1 1 1 main light source position 1 0 0 0 input coordinate, radius transformation 0 1 0 0 0 0 1 0 0 0 0 2.0 3 mixed objects * * * Raster3D_3.0-2/./examples/ex5_matrix.r3d0000664000471100047110000000055611327673235017655 0ustar merrittmerritt# # Post-rotation matrix (applied on top of TMAT) # NB: Because this is post-multiplication, the matrix # is the transpose of what it would be in TMAT # Post-translation (applied on top of TMAT) # 16 ROTATION -0.503902 -0.262711 -0.822840 -0.857597 0.038566 0.512874 -0.103004 0.964103 -0.244734 16 TRANSLATION 95.019661 -15.608208 -60.094696 Raster3D_3.0-2/./examples/sugars.pdb0000664000471100047110000006365011327673235017155 0ustar merrittmerrittREMARK FILENAME="/usr1/merritt/LT/figures/LT+GM1/sugars.pdb" REMARK pentasaccharide from CTB5/GM1 superimposed onto LT+gal structure REMARK superposition based on backbone atoms only yields: REMARK 70.3167 64.1213 36.8069 75.3135 -0.382625 0.390461 -0.83734 (trans + quaternion) REMARK DATE:26-Feb-93 20:31:53 created by user: merritt ATOM 815 C1 GAL D 104 48.385 61.183 35.190 0.00 0.00 D ATOM 816 C2 GAL D 104 49.576 60.432 35.853 0.00 0.00 D ATOM 817 O2 GAL D 104 50.416 59.834 34.892 0.00 0.00 D ATOM 818 C3 GAL D 104 49.023 59.373 36.836 0.00 0.00 D ATOM 819 O3 GAL D 104 50.065 58.696 37.520 0.00 0.00 D ATOM 820 C4 GAL D 104 48.069 60.068 37.867 0.00 0.00 D ATOM 821 O4 GAL D 104 48.801 60.891 38.747 0.00 0.00 D ATOM 822 C5 GAL D 104 46.984 60.922 37.141 0.00 0.00 D ATOM 823 O5 GAL D 104 47.636 61.840 36.206 0.00 0.00 D ATOM 824 C6 GAL D 104 46.121 61.752 38.162 0.00 0.00 D ATOM 825 O6 GAL D 104 45.284 62.677 37.494 0.00 0.00 D ATOM 826 C1 NGA D 105 47.251 63.527 31.343 0.00 0.00 D ATOM 827 C2 NGA D 105 48.272 62.640 32.074 0.00 0.00 D ATOM 828 N2 NGA D 105 48.113 61.236 31.710 0.00 0.00 D ATOM 829 C7 NGA D 105 49.004 60.608 30.928 0.00 0.00 D ATOM 830 O7 NGA D 105 50.099 61.149 30.645 0.00 0.00 D ATOM 831 C8 NGA D 105 48.681 59.227 30.401 0.00 0.00 D ATOM 832 C3 NGA D 105 48.063 62.951 33.539 0.00 0.00 D ATOM 833 O3 NGA D 105 48.910 62.143 34.316 0.00 0.00 D ATOM 834 C4 NGA D 105 48.403 64.410 33.624 0.00 0.00 D ATOM 835 O4 NGA D 105 48.909 64.756 34.850 0.00 0.00 D ATOM 836 C5 NGA D 105 47.133 65.114 33.184 0.00 0.00 D ATOM 837 O5 NGA D 105 47.123 64.879 31.812 0.00 0.00 D ATOM 838 C6 NGA D 105 47.056 66.610 33.503 0.00 0.00 D ATOM 839 O6 NGA D 105 46.142 67.271 32.620 0.00 0.00 D ATOM 840 C1 GAL D 106 48.234 63.989 26.675 0.00 0.00 D ATOM 841 C2 GAL D 106 47.712 62.759 27.406 0.00 0.00 D ATOM 842 O2 GAL D 106 47.434 61.634 26.598 0.00 0.00 D ATOM 843 C3 GAL D 106 46.451 63.090 28.184 0.00 0.00 D ATOM 844 O3 GAL D 106 46.212 61.876 28.903 0.00 0.00 D ATOM 845 C4 GAL D 106 46.754 64.194 29.119 0.00 0.00 D ATOM 846 O4 GAL D 106 47.721 63.676 30.037 0.00 0.00 D ATOM 847 C5 GAL D 106 47.328 65.415 28.385 0.00 0.00 D ATOM 848 O5 GAL D 106 48.468 65.046 27.599 0.00 0.00 D ATOM 849 C6 GAL D 106 47.787 66.533 29.335 0.00 0.00 D ATOM 850 O6 GAL D 106 48.299 67.587 28.534 0.00 0.00 D ATOM 851 C1 GLC D 107 51.342 61.985 22.943 0.00 0.00 D ATOM 852 O1 GLC D 107 51.523 61.300 21.730 0.00 0.00 D ATOM 853 C2 GLC D 107 50.368 63.129 22.710 0.00 0.00 D ATOM 854 O2 GLC D 107 50.798 63.996 21.692 0.00 0.00 D ATOM 855 C3 GLC D 107 50.205 63.878 23.993 0.00 0.00 D ATOM 856 O3 GLC D 107 49.354 64.973 23.786 0.00 0.00 D ATOM 857 C4 GLC D 107 49.660 62.905 25.030 0.00 0.00 D ATOM 858 O4 GLC D 107 49.525 63.698 26.178 0.00 0.00 D ATOM 859 C5 GLC D 107 50.651 61.761 25.289 0.00 0.00 D ATOM 860 O5 GLC D 107 50.818 61.113 23.977 0.00 0.00 D ATOM 861 C6 GLC D 107 50.355 60.686 26.433 0.00 0.00 D ATOM 862 O6 GLC D 107 49.812 59.463 25.942 0.00 0.00 D ATOM 863 C1 SIA D 108 45.168 60.365 30.247 0.00 0.00 D ATOM 864 O1A SIA D 108 45.333 60.625 31.432 0.00 0.00 D ATOM 865 O1B SIA D 108 45.193 59.211 29.834 0.00 0.00 D ATOM 866 C2 SIA D 108 44.914 61.522 29.282 0.00 0.00 D ATOM 867 C3 SIA D 108 44.082 61.104 28.063 0.00 0.00 D ATOM 868 C4 SIA D 108 42.725 60.593 28.469 0.00 0.00 D ATOM 869 O4 SIA D 108 41.955 60.194 27.342 0.00 0.00 D ATOM 870 C5 SIA D 108 42.024 61.691 29.252 0.00 0.00 D ATOM 871 N5 SIA D 108 40.788 61.086 29.736 0.00 0.00 D ATOM 872 C10 SIA D 108 39.677 61.824 29.717 0.00 0.00 D ATOM 873 O10 SIA D 108 39.736 63.035 29.448 0.00 0.00 D ATOM 874 C11 SIA D 108 38.362 61.140 30.080 0.00 0.00 D ATOM 875 C6 SIA D 108 42.883 62.212 30.443 0.00 0.00 D ATOM 876 O6 SIA D 108 44.216 62.570 29.967 0.00 0.00 D ATOM 877 C7 SIA D 108 42.298 63.448 31.116 0.00 0.00 D ATOM 878 O7 SIA D 108 42.048 64.411 30.123 0.00 0.00 D ATOM 879 C8 SIA D 108 43.271 64.055 32.148 0.00 0.00 D ATOM 880 O8 SIA D 108 43.595 63.144 33.199 0.00 0.00 D ATOM 881 C9 SIA D 108 42.680 65.315 32.756 0.00 0.00 D ATOM 882 O9 SIA D 108 43.429 65.685 33.896 0.00 0.00 D ATOM 1697 C1 GAL E 104 19.407 68.808 30.227 0.00 0.00 E ATOM 1698 C2 GAL E 104 20.026 67.563 29.529 0.00 0.00 E ATOM 1699 O2 GAL E 104 19.464 67.347 28.255 0.00 0.00 E ATOM 1700 C3 GAL E 104 19.828 66.324 30.434 0.00 0.00 E ATOM 1701 O3 GAL E 104 20.428 65.166 29.878 0.00 0.00 E ATOM 1702 C4 GAL E 104 20.433 66.613 31.849 0.00 0.00 E ATOM 1703 O4 GAL E 104 21.841 66.675 31.786 0.00 0.00 E ATOM 1704 C5 GAL E 104 19.882 67.950 32.435 0.00 0.00 E ATOM 1705 O5 GAL E 104 20.084 69.024 31.462 0.00 0.00 E ATOM 1706 C6 GAL E 104 20.601 68.333 33.781 0.00 0.00 E ATOM 1707 O6 GAL E 104 20.251 69.641 34.196 0.00 0.00 E ATOM 1708 C1 NGA E 105 17.559 72.964 29.285 0.00 0.00 E ATOM 1709 C2 NGA E 105 18.063 71.614 28.754 0.00 0.00 E ATOM 1710 N2 NGA E 105 16.965 70.671 28.569 0.00 0.00 E ATOM 1711 C7 NGA E 105 16.532 70.328 27.346 0.00 0.00 E ATOM 1712 O7 NGA E 105 17.181 70.653 26.323 0.00 0.00 E ATOM 1713 C8 NGA E 105 15.255 69.526 27.211 0.00 0.00 E ATOM 1714 C3 NGA E 105 19.116 71.184 29.751 0.00 0.00 E ATOM 1715 O3 NGA E 105 19.609 69.917 29.396 0.00 0.00 E ATOM 1716 C4 NGA E 105 20.147 72.268 29.637 0.00 0.00 E ATOM 1717 O4 NGA E 105 21.411 71.815 29.910 0.00 0.00 E ATOM 1718 C5 NGA E 105 19.614 73.381 30.519 0.00 0.00 E ATOM 1719 O5 NGA E 105 18.557 73.880 29.763 0.00 0.00 E ATOM 1720 C6 NGA E 105 20.616 74.482 30.885 0.00 0.00 E ATOM 1721 O6 NGA E 105 19.937 75.695 31.224 0.00 0.00 E ATOM 1722 C1 GAL E 106 15.163 75.460 25.967 0.00 0.00 E ATOM 1723 C2 GAL E 106 14.716 74.198 26.696 0.00 0.00 E ATOM 1724 O2 GAL E 106 13.414 73.739 26.393 0.00 0.00 E ATOM 1725 C3 GAL E 106 14.800 74.387 28.199 0.00 0.00 E ATOM 1726 O3 GAL E 106 14.494 73.077 28.687 0.00 0.00 E ATOM 1727 C4 GAL E 106 16.187 74.758 28.550 0.00 0.00 E ATOM 1728 O4 GAL E 106 16.995 73.632 28.196 0.00 0.00 E ATOM 1729 C5 GAL E 106 16.652 76.001 27.775 0.00 0.00 E ATOM 1730 O5 GAL E 106 16.482 75.815 26.364 0.00 0.00 E ATOM 1731 C6 GAL E 106 18.134 76.339 28.003 0.00 0.00 E ATOM 1732 O6 GAL E 106 18.430 77.492 27.231 0.00 0.00 E ATOM 1733 C1 GLC E 107 13.081 74.923 21.174 0.00 0.00 E ATOM 1734 O1 GLC E 107 11.977 74.921 20.304 0.00 0.00 E ATOM 1735 C2 GLC E 107 13.076 76.226 21.958 0.00 0.00 E ATOM 1736 O2 GLC E 107 13.084 77.352 21.119 0.00 0.00 E ATOM 1737 C3 GLC E 107 14.272 76.240 22.855 0.00 0.00 E ATOM 1738 O3 GLC E 107 14.317 77.458 23.546 0.00 0.00 E ATOM 1739 C4 GLC E 107 14.162 75.042 23.791 0.00 0.00 E ATOM 1740 O4 GLC E 107 15.304 75.155 24.595 0.00 0.00 E ATOM 1741 C5 GLC E 107 14.194 73.723 23.006 0.00 0.00 E ATOM 1742 O5 GLC E 107 13.037 73.805 22.099 0.00 0.00 E ATOM 1743 C6 GLC E 107 14.221 72.327 23.783 0.00 0.00 E ATOM 1744 O6 GLC E 107 12.948 71.694 23.864 0.00 0.00 E ATOM 1745 C1 SIA E 108 14.047 71.400 30.160 0.00 0.00 E ATOM 1746 O1A SIA E 108 15.068 70.978 30.688 0.00 0.00 E ATOM 1747 O1B SIA E 108 13.145 70.645 29.815 0.00 0.00 E ATOM 1748 C2 SIA E 108 13.913 72.907 29.946 0.00 0.00 E ATOM 1749 C3 SIA E 108 12.452 73.376 29.943 0.00 0.00 E ATOM 1750 C4 SIA E 108 11.774 73.077 31.253 0.00 0.00 E ATOM 1751 O4 SIA E 108 10.415 73.501 31.250 0.00 0.00 E ATOM 1752 C5 SIA E 108 12.560 73.763 32.357 0.00 0.00 E ATOM 1753 N5 SIA E 108 11.941 73.318 33.602 0.00 0.00 E ATOM 1754 C10 SIA E 108 11.786 74.209 34.582 0.00 0.00 E ATOM 1755 O10 SIA E 108 12.305 75.335 34.490 0.00 0.00 E ATOM 1756 C11 SIA E 108 11.005 73.778 35.819 0.00 0.00 E ATOM 1757 C6 SIA E 108 14.072 73.388 32.333 0.00 0.00 E ATOM 1758 O6 SIA E 108 14.607 73.601 30.990 0.00 0.00 E ATOM 1759 C7 SIA E 108 14.918 74.216 33.292 0.00 0.00 E ATOM 1760 O7 SIA E 108 14.660 75.574 33.044 0.00 0.00 E ATOM 1761 C8 SIA E 108 16.427 73.964 33.091 0.00 0.00 E ATOM 1762 O8 SIA E 108 16.789 72.601 33.313 0.00 0.00 E ATOM 1763 C9 SIA E 108 17.239 74.846 34.023 0.00 0.00 E ATOM 1764 O9 SIA E 108 18.579 74.396 34.048 0.00 0.00 E ATOM 2579 C1 GAL F 104 9.648 84.261 54.504 0.00 0.00 F ATOM 2580 C2 GAL F 104 8.579 83.583 53.600 0.00 0.00 F ATOM 2581 O2 GAL F 104 7.339 84.251 53.666 0.00 0.00 F ATOM 2582 C3 GAL F 104 8.428 82.101 54.018 0.00 0.00 F ATOM 2583 O3 GAL F 104 7.509 81.411 53.187 0.00 0.00 F ATOM 2584 C4 GAL F 104 9.828 81.401 53.965 0.00 0.00 F ATOM 2585 O4 GAL F 104 10.263 81.258 52.631 0.00 0.00 F ATOM 2586 C5 GAL F 104 10.891 82.208 54.772 0.00 0.00 F ATOM 2587 O5 GAL F 104 10.894 83.597 54.316 0.00 0.00 F ATOM 2588 C6 GAL F 104 12.334 81.604 54.594 0.00 0.00 F ATOM 2589 O6 GAL F 104 13.318 82.453 55.154 0.00 0.00 F ATOM 2590 C1 NGA F 105 10.894 88.410 56.179 0.00 0.00 F ATOM 2591 C2 NGA F 105 9.847 87.569 55.433 0.00 0.00 F ATOM 2592 N2 NGA F 105 8.794 87.108 56.333 0.00 0.00 F ATOM 2593 C7 NGA F 105 7.557 87.626 56.288 0.00 0.00 F ATOM 2594 O7 NGA F 105 7.211 88.379 55.347 0.00 0.00 F ATOM 2595 C8 NGA F 105 6.571 87.276 57.382 0.00 0.00 F ATOM 2596 C3 NGA F 105 10.647 86.472 54.767 0.00 0.00 F ATOM 2597 O3 NGA F 105 9.775 85.595 54.099 0.00 0.00 F ATOM 2598 C4 NGA F 105 11.546 87.231 53.835 0.00 0.00 F ATOM 2599 O4 NGA F 105 11.869 86.505 52.719 0.00 0.00 F ATOM 2600 C5 NGA F 105 12.696 87.683 54.715 0.00 0.00 F ATOM 2601 O5 NGA F 105 12.113 88.694 55.472 0.00 0.00 F ATOM 2602 C6 NGA F 105 13.946 88.176 53.978 0.00 0.00 F ATOM 2603 O6 NGA F 105 14.714 89.051 54.811 0.00 0.00 F ATOM 2604 C1 GAL F 106 9.226 92.728 57.427 0.00 0.00 F ATOM 2605 C2 GAL F 106 8.853 91.372 58.015 0.00 0.00 F ATOM 2606 O2 GAL F 106 7.944 91.397 59.096 0.00 0.00 F ATOM 2607 C3 GAL F 106 10.093 90.625 58.473 0.00 0.00 F ATOM 2608 O3 GAL F 106 9.560 89.350 58.843 0.00 0.00 F ATOM 2609 C4 GAL F 106 11.011 90.488 57.323 0.00 0.00 F ATOM 2610 O4 GAL F 106 10.325 89.671 56.369 0.00 0.00 F ATOM 2611 C5 GAL F 106 11.345 91.853 56.701 0.00 0.00 F ATOM 2612 O5 GAL F 106 10.148 92.561 56.355 0.00 0.00 F ATOM 2613 C6 GAL F 106 12.183 91.745 55.417 0.00 0.00 F ATOM 2614 O6 GAL F 106 12.410 93.065 54.947 0.00 0.00 F ATOM 2615 C1 GLC F 107 4.742 95.456 57.667 0.00 0.00 F ATOM 2616 O1 GLC F 107 3.758 96.144 58.396 0.00 0.00 F ATOM 2617 C2 GLC F 107 6.103 96.029 58.031 0.00 0.00 F ATOM 2618 O2 GLC F 107 6.175 97.413 57.806 0.00 0.00 F ATOM 2619 C3 GLC F 107 7.144 95.319 57.226 0.00 0.00 F ATOM 2620 O3 GLC F 107 8.402 95.871 57.506 0.00 0.00 F ATOM 2621 C4 GLC F 107 7.068 93.837 57.577 0.00 0.00 F ATOM 2622 O4 GLC F 107 8.083 93.268 56.796 0.00 0.00 F ATOM 2623 C5 GLC F 107 5.705 93.247 57.186 0.00 0.00 F ATOM 2624 O5 GLC F 107 4.727 94.033 57.957 0.00 0.00 F ATOM 2625 C6 GLC F 107 5.436 91.680 57.338 0.00 0.00 F ATOM 2626 O6 GLC F 107 4.710 91.336 58.515 0.00 0.00 F ATOM 2627 C1 SIA F 108 9.479 87.229 59.663 0.00 0.00 F ATOM 2628 O1A SIA F 108 9.931 86.418 58.865 0.00 0.00 F ATOM 2629 O1B SIA F 108 8.486 86.980 60.336 0.00 0.00 F ATOM 2630 C2 SIA F 108 10.193 88.570 59.814 0.00 0.00 F ATOM 2631 C3 SIA F 108 10.014 89.182 61.210 0.00 0.00 F ATOM 2632 C4 SIA F 108 10.577 88.286 62.281 0.00 0.00 F ATOM 2633 O4 SIA F 108 10.403 88.845 63.578 0.00 0.00 F ATOM 2634 C5 SIA F 108 12.048 88.054 61.976 0.00 0.00 F ATOM 2635 N5 SIA F 108 12.492 87.071 62.959 0.00 0.00 F ATOM 2636 C10 SIA F 108 13.699 87.228 63.503 0.00 0.00 F ATOM 2637 O10 SIA F 108 14.477 88.090 63.061 0.00 0.00 F ATOM 2638 C11 SIA F 108 14.095 86.287 64.638 0.00 0.00 F ATOM 2639 C6 SIA F 108 12.278 87.525 60.530 0.00 0.00 F ATOM 2640 O6 SIA F 108 11.595 88.395 59.575 0.00 0.00 F ATOM 2641 C7 SIA F 108 13.748 87.480 60.126 0.00 0.00 F ATOM 2642 O7 SIA F 108 14.308 88.746 60.372 0.00 0.00 F ATOM 2643 C8 SIA F 108 13.923 87.153 58.630 0.00 0.00 F ATOM 2644 O8 SIA F 108 13.374 85.882 58.278 0.00 0.00 F ATOM 2645 C9 SIA F 108 15.394 87.173 58.253 0.00 0.00 F ATOM 2646 O9 SIA F 108 15.563 86.583 56.979 0.00 0.00 F ATOM 3461 C1 GAL G 104 32.126 86.058 74.434 0.00 0.00 G ATOM 3462 C2 GAL G 104 30.654 86.119 74.936 0.00 0.00 G ATOM 3463 O2 GAL G 104 30.540 86.852 76.135 0.00 0.00 G ATOM 3464 C3 GAL G 104 30.121 84.679 75.120 0.00 0.00 G ATOM 3465 O3 GAL G 104 28.759 84.668 75.518 0.00 0.00 G ATOM 3466 C4 GAL G 104 30.293 83.885 73.781 0.00 0.00 G ATOM 3467 O4 GAL G 104 29.409 84.371 72.797 0.00 0.00 G ATOM 3468 C5 GAL G 104 31.759 83.983 73.255 0.00 0.00 G ATOM 3469 O5 GAL G 104 32.154 85.389 73.178 0.00 0.00 G ATOM 3470 C6 GAL G 104 31.908 83.327 71.832 0.00 0.00 G ATOM 3471 O6 GAL G 104 33.179 83.601 71.272 0.00 0.00 G ATOM 3472 C1 NGA G 105 36.069 88.512 74.425 0.00 0.00 G ATOM 3473 C2 NGA G 105 34.638 88.351 74.960 0.00 0.00 G ATOM 3474 N2 NGA G 105 34.626 87.675 76.254 0.00 0.00 G ATOM 3475 C7 NGA G 105 34.353 88.337 77.389 0.00 0.00 G ATOM 3476 O7 NGA G 105 33.907 89.509 77.354 0.00 0.00 G ATOM 3477 C8 NGA G 105 34.571 87.647 78.718 0.00 0.00 G ATOM 3478 C3 NGA G 105 33.899 87.631 73.855 0.00 0.00 G ATOM 3479 O3 NGA G 105 32.580 87.372 74.264 0.00 0.00 G ATOM 3480 C4 NGA G 105 33.980 88.600 72.712 0.00 0.00 G ATOM 3481 O4 NGA G 105 32.905 88.501 71.869 0.00 0.00 G ATOM 3482 C5 NGA G 105 35.348 88.346 72.107 0.00 0.00 G ATOM 3483 O5 NGA G 105 36.201 88.911 73.052 0.00 0.00 G ATOM 3484 C6 NGA G 105 35.580 88.934 70.712 0.00 0.00 G ATOM 3485 O6 NGA G 105 36.978 89.124 70.466 0.00 0.00 G ATOM 3486 C1 GAL G 106 38.577 91.799 76.851 0.00 0.00 G ATOM 3487 C2 GAL G 106 38.144 90.414 77.320 0.00 0.00 G ATOM 3488 O2 GAL G 106 38.583 90.035 78.608 0.00 0.00 G ATOM 3489 C3 GAL G 106 38.605 89.347 76.344 0.00 0.00 G ATOM 3490 O3 GAL G 106 37.987 88.169 76.868 0.00 0.00 G ATOM 3491 C4 GAL G 106 38.061 89.667 75.007 0.00 0.00 G ATOM 3492 O4 GAL G 106 36.639 89.573 75.131 0.00 0.00 G ATOM 3493 C5 GAL G 106 38.457 91.082 74.559 0.00 0.00 G ATOM 3494 O5 GAL G 106 38.076 92.052 75.544 0.00 0.00 G ATOM 3495 C6 GAL G 106 37.795 91.508 73.238 0.00 0.00 G ATOM 3496 O6 GAL G 106 38.236 92.826 72.949 0.00 0.00 G ATOM 3497 C1 GLC G 107 38.329 94.714 81.215 0.00 0.00 G ATOM 3498 O1 GLC G 107 38.824 95.087 82.477 0.00 0.00 G ATOM 3499 C2 GLC G 107 39.466 94.791 80.208 0.00 0.00 G ATOM 3500 O2 GLC G 107 40.058 96.065 80.170 0.00 0.00 G ATOM 3501 C3 GLC G 107 38.927 94.431 78.861 0.00 0.00 G ATOM 3502 O3 GLC G 107 39.948 94.550 77.906 0.00 0.00 G ATOM 3503 C4 GLC G 107 38.376 93.012 78.948 0.00 0.00 G ATOM 3504 O4 GLC G 107 37.919 92.764 77.647 0.00 0.00 G ATOM 3505 C5 GLC G 107 37.210 92.935 79.945 0.00 0.00 G ATOM 3506 O5 GLC G 107 37.789 93.368 81.227 0.00 0.00 G ATOM 3507 C6 GLC G 107 36.386 91.577 80.110 0.00 0.00 G ATOM 3508 O6 GLC G 107 36.776 90.806 81.243 0.00 0.00 G ATOM 3509 C1 SIA G 108 37.445 85.971 77.107 0.00 0.00 G ATOM 3510 O1A SIA G 108 36.614 85.618 76.281 0.00 0.00 G ATOM 3511 O1B SIA G 108 37.401 85.580 78.268 0.00 0.00 G ATOM 3512 C2 SIA G 108 38.560 86.913 76.655 0.00 0.00 G ATOM 3513 C3 SIA G 108 39.844 86.748 77.480 0.00 0.00 G ATOM 3514 C4 SIA G 108 40.400 85.355 77.363 0.00 0.00 G ATOM 3515 O4 SIA G 108 41.584 85.196 78.136 0.00 0.00 G ATOM 3516 C5 SIA G 108 40.662 85.074 75.893 0.00 0.00 G ATOM 3517 N5 SIA G 108 41.059 83.671 75.836 0.00 0.00 G ATOM 3518 C10 SIA G 108 42.046 83.328 75.008 0.00 0.00 G ATOM 3519 O10 SIA G 108 42.495 84.156 74.196 0.00 0.00 G ATOM 3520 C11 SIA G 108 42.556 81.892 75.064 0.00 0.00 G ATOM 3521 C6 SIA G 108 39.406 85.325 75.007 0.00 0.00 G ATOM 3522 O6 SIA G 108 38.872 86.656 75.280 0.00 0.00 G ATOM 3523 C7 SIA G 108 39.694 85.251 73.512 0.00 0.00 G ATOM 3524 O7 SIA G 108 40.774 86.105 73.232 0.00 0.00 G ATOM 3525 C8 SIA G 108 38.484 85.707 72.671 0.00 0.00 G ATOM 3526 O8 SIA G 108 37.326 84.901 72.894 0.00 0.00 G ATOM 3527 C9 SIA G 108 38.825 85.675 71.192 0.00 0.00 G ATOM 3528 O9 SIA G 108 37.639 85.797 70.432 0.00 0.00 G ATOM 4343 C1 GAL H 104 56.320 71.861 62.473 0.00 0.00 H ATOM 4344 C2 GAL H 104 56.214 72.022 64.017 0.00 0.00 H ATOM 4345 O2 GAL H 104 57.485 72.052 64.627 0.00 0.00 H ATOM 4346 C3 GAL H 104 55.357 70.868 64.589 0.00 0.00 H ATOM 4347 O3 GAL H 104 55.173 70.995 65.990 0.00 0.00 H ATOM 4348 C4 GAL H 104 53.968 70.844 63.867 0.00 0.00 H ATOM 4349 O4 GAL H 104 53.193 71.961 64.239 0.00 0.00 H ATOM 4350 C5 GAL H 104 54.142 70.828 62.316 0.00 0.00 H ATOM 4351 O5 GAL H 104 55.011 71.934 61.915 0.00 0.00 H ATOM 4352 C6 GAL H 104 52.759 70.966 61.578 0.00 0.00 H ATOM 4353 O6 GAL H 104 52.937 71.162 60.187 0.00 0.00 H ATOM 4354 C1 NGA H 105 59.070 72.923 58.884 0.00 0.00 H ATOM 4355 C2 NGA H 105 58.880 72.873 60.408 0.00 0.00 H ATOM 4356 N2 NGA H 105 59.467 71.665 60.978 0.00 0.00 H ATOM 4357 C7 NGA H 105 60.593 71.708 61.706 0.00 0.00 H ATOM 4358 O7 NGA H 105 61.069 72.805 62.084 0.00 0.00 H ATOM 4359 C8 NGA H 105 61.279 70.413 62.084 0.00 0.00 H ATOM 4360 C3 NGA H 105 57.388 73.017 60.608 0.00 0.00 H ATOM 4361 O3 NGA H 105 57.087 72.922 61.978 0.00 0.00 H ATOM 4362 C4 NGA H 105 57.103 74.375 60.038 0.00 0.00 H ATOM 4363 O4 NGA H 105 56.039 74.984 60.649 0.00 0.00 H ATOM 4364 C5 NGA H 105 56.986 74.133 58.544 0.00 0.00 H ATOM 4365 O5 NGA H 105 58.310 73.914 58.174 0.00 0.00 H ATOM 4366 C6 NGA H 105 56.351 75.266 57.732 0.00 0.00 H ATOM 4367 O6 NGA H 105 56.763 75.202 56.362 0.00 0.00 H ATOM 4368 C1 GAL H 106 63.612 73.802 57.630 0.00 0.00 H ATOM 4369 C2 GAL H 106 63.036 72.526 58.233 0.00 0.00 H ATOM 4370 O2 GAL H 106 63.942 71.454 58.392 0.00 0.00 H ATOM 4371 C3 GAL H 106 61.867 72.022 57.407 0.00 0.00 H ATOM 4372 O3 GAL H 106 61.381 70.935 58.200 0.00 0.00 H ATOM 4373 C4 GAL H 106 60.852 73.095 57.324 0.00 0.00 H ATOM 4374 O4 GAL H 106 60.395 73.305 58.663 0.00 0.00 H ATOM 4375 C5 GAL H 106 61.450 74.394 56.763 0.00 0.00 H ATOM 4376 O5 GAL H 106 62.599 74.795 57.520 0.00 0.00 H ATOM 4377 C6 GAL H 106 60.466 75.575 56.791 0.00 0.00 H ATOM 4378 O6 GAL H 106 61.142 76.703 56.258 0.00 0.00 H ATOM 4379 C1 GLC H 107 68.435 74.076 59.698 0.00 0.00 H ATOM 4380 O1 GLC H 107 69.763 73.626 59.788 0.00 0.00 H ATOM 4381 C2 GLC H 107 68.121 74.367 58.239 0.00 0.00 H ATOM 4382 O2 GLC H 107 69.014 75.294 57.677 0.00 0.00 H ATOM 4383 C3 GLC H 107 66.720 74.881 58.152 0.00 0.00 H ATOM 4384 O3 GLC H 107 66.428 75.209 56.820 0.00 0.00 H ATOM 4385 C4 GLC H 107 65.796 73.799 58.700 0.00 0.00 H ATOM 4386 O4 GLC H 107 64.520 74.361 58.557 0.00 0.00 H ATOM 4387 C5 GLC H 107 66.091 73.520 60.181 0.00 0.00 H ATOM 4388 O5 GLC H 107 67.499 73.088 60.202 0.00 0.00 H ATOM 4389 C6 GLC H 107 65.165 72.515 61.007 0.00 0.00 H ATOM 4390 O6 GLC H 107 65.718 71.210 61.147 0.00 0.00 H ATOM 4391 C1 SIA H 108 60.138 69.129 58.811 0.00 0.00 H ATOM 4392 O1A SIA H 108 59.029 69.459 59.211 0.00 0.00 H ATOM 4393 O1B SIA H 108 60.773 68.231 59.351 0.00 0.00 H ATOM 4394 C2 SIA H 108 60.717 69.861 57.602 0.00 0.00 H ATOM 4395 C3 SIA H 108 61.693 68.993 56.797 0.00 0.00 H ATOM 4396 C4 SIA H 108 61.019 67.761 56.256 0.00 0.00 H ATOM 4397 O4 SIA H 108 61.924 66.948 55.519 0.00 0.00 H ATOM 4398 C5 SIA H 108 59.850 68.205 55.392 0.00 0.00 H ATOM 4399 N5 SIA H 108 59.159 66.974 55.021 0.00 0.00 H ATOM 4400 C10 SIA H 108 58.691 66.865 53.777 0.00 0.00 H ATOM 4401 O10 SIA H 108 58.704 67.848 53.017 0.00 0.00 H ATOM 4402 C11 SIA H 108 58.106 65.521 53.352 0.00 0.00 H ATOM 4403 C6 SIA H 108 58.887 69.169 56.146 0.00 0.00 H ATOM 4404 O6 SIA H 108 59.652 70.266 56.733 0.00 0.00 H ATOM 4405 C7 SIA H 108 57.825 69.791 55.246 0.00 0.00 H ATOM 4406 O7 SIA H 108 58.472 70.372 54.142 0.00 0.00 H ATOM 4407 C8 SIA H 108 57.027 70.891 55.976 0.00 0.00 H ATOM 4408 O8 SIA H 108 56.336 70.397 57.124 0.00 0.00 H ATOM 4409 C9 SIA H 108 56.019 71.526 55.033 0.00 0.00 H ATOM 4410 O9 SIA H 108 55.102 72.303 55.778 0.00 0.00 H END Raster3D_3.0-2/./examples/example8.script0000775000471100047110000000146311327673235020130 0ustar merrittmerritt#!/bin/csh # # Demonstrate stereo3d script by making stereo pair of # view down pore of LT B-pentamer # if (! $?TMPDIR) setenv TMPDIR /tmp ; endif # # First we make a VDW model of the B-pentamer itself # grep ' [DEFGH] ' LT.pdb > $TMPDIR/$$_temp.r3d cat chaincolours.pdb $TMPDIR/$$_temp.r3d | balls -h > $TMPDIR/$$_balls.r3d # # Now we make a simple ribbon for the A2 domain # grep ' C ' LT.pdb | ribbon -h -d1 > $TMPDIR/$$_ribbon.r3d # # put 'em together with a view matrix # cat header8.r3d $TMPDIR/$$_balls.r3d $TMPDIR/$$_ribbon.r3d > $TMPDIR/$$_example8.r3d # # Now render it as a stereo pair # Add a gamma correction before displaying # stereo3d -png < $TMPDIR/$$_example8.r3d | display -gamma 1.2 png:- # # # Clean up # rm -f $TMPDIR/$$_temp.r3d $TMPDIR/$$_balls.r3d $TMPDIR/$$_ribbon.r3d $TMPDIR/$$_example8.r3d Raster3D_3.0-2/./examples/sugarcolours.pdb0000664000471100047110000000036411327673235020372 0ustar merrittmerrittCOLOUR###########GAL########## 0.888 0.888 0.888 1.70 COLOUR###########NGA########## 0.888 0.888 0.888 1.70 COLOUR###########SIA########## 0.888 0.888 0.888 1.70 COLOUR###########GLC########## 0.888 0.888 0.888 1.70 Raster3D_3.0-2/./examples/example1.script0000775000471100047110000000040311327673235020112 0ustar merrittmerritt#!/bin/csh # E A Merritt January 2003 # Illustration of # material properties # file indirection # R3D_LIB environmental variable # gamma correction applied while rendering # setenv R3D_LIB ../materials render -gamma 1.1 -png < example1.r3d | display png:- Raster3D_3.0-2/./examples/plane.r3d0000664000471100047110000000012011327673235016652 0ustar merrittmerritt6 52.679 64.724 20.030 39.980 98.511 80.777 70.919 77.050 58.088 0.9 0.6 0.5 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BACKFACE 0.6 0.4 0.6 0 0 Raster3D_3.0-2/./examples/example7.script0000775000471100047110000000133011327673235020120 0ustar merrittmerritt#!/bin/csh # # Example 7 # # Labels in stereo using the label3d and stereo3d scripts # Note: I use some fancy fonts in the example just for fun; # if you don't have these fonts installed it should still work # but the titles might be a bit ugly. # # display example7.jpeg& echo "This is what you should get in a minute or so." echo "I used some fancy fonts just for fun; if you don't have" echo "these fonts installed, your labels may look a bit different." # sleep 8 # stereo3d -png < example7.r3d | display -resize 50% png:- & # echo "Using the stereo3d script to process labels into a stereo pair" echo "This may take a minute, because ghostscript is slow," echo "and the ImageMagick montage command isn't fast either...." # Raster3D_3.0-2/./examples/example3.r3d0000664000471100047110000361615611327673235017322 0ustar merrittmerrittGalactose binding site in 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14.26 -0.22 0.20 1 0.81 0 3 15.85 14.26 -0.22 0.20 15.76 14.38 0.01 0.20 1 0.81 0 3 15.76 14.38 0.01 0.20 15.64 14.49 0.27 0.20 1 0.81 0 3 15.64 14.49 0.27 0.20 15.50 14.59 0.53 0.20 1 0.81 0 3 15.50 14.59 0.53 0.20 15.36 14.68 0.80 0.20 1 0.81 0 3 15.36 14.68 0.80 0.20 15.24 14.76 1.06 0.20 1 0.81 0 3 15.24 14.76 1.06 0.20 15.14 14.82 1.31 0.20 1 0.81 0 3 15.14 14.82 1.31 0.20 15.10 14.87 1.54 0.20 1 0.81 0 3 15.10 14.87 1.54 0.20 15.09 14.89 1.75 0.20 1 0.81 0 3 15.09 14.89 1.75 0.20 15.08 14.90 1.97 0.20 1 0.81 0 3 15.08 14.90 1.97 0.20 15.09 14.89 2.18 0.20 1 0.81 0 3 15.09 14.89 2.18 0.20 15.10 14.87 2.39 0.20 1 0.81 0 3 15.10 14.87 2.39 0.20 15.12 14.84 2.60 0.20 1 0.81 0 3 15.12 14.84 2.60 0.20 15.16 14.80 2.80 0.20 1 0.81 0 3 15.16 14.80 2.80 0.20 15.21 14.75 2.99 0.20 1 0.81 0 3 15.21 14.75 2.99 0.20 15.28 14.71 3.18 0.20 1 0.81 0 3 15.28 14.71 3.18 0.20 15.37 14.66 3.37 0.20 1 0.81 0 3 15.37 14.66 3.37 0.20 15.48 14.62 3.54 0.20 1 0.81 0 3 15.48 14.62 3.54 0.20 15.60 14.58 3.71 0.20 1 0.81 0 3 15.60 14.58 3.71 0.20 15.75 14.53 3.88 0.20 1 0.81 0 3 15.75 14.53 3.88 0.20 15.92 14.47 4.04 0.20 1 0.81 0 3 15.92 14.47 4.04 0.20 16.11 14.41 4.19 0.20 1 0.81 0 3 16.11 14.41 4.19 0.20 16.31 14.35 4.34 0.20 1 0.81 0 3 16.31 14.35 4.34 0.20 16.52 14.29 4.49 0.20 1 0.81 0 3 16.52 14.29 4.49 0.20 16.74 14.23 4.62 0.20 1 0.81 0 3 16.74 14.23 4.62 0.20 16.97 14.18 4.74 0.20 1 0.81 0 3 16.97 14.18 4.74 0.20 17.20 14.14 4.84 0.20 1 0.81 0 3 17.20 14.14 4.84 0.20 17.43 14.12 4.93 0.20 1 0.81 0 3 17.43 14.12 4.93 0.20 17.67 14.11 5.01 0.20 1 0.81 0 3 17.67 14.11 5.01 0.20 17.93 14.11 5.08 0.20 1 0.81 0 3 17.93 14.11 5.08 0.20 18.20 14.11 5.15 0.20 1 0.81 0 3 18.20 14.11 5.15 0.20 18.48 14.13 5.20 0.20 1 0.81 0 3 18.48 14.13 5.20 0.20 18.77 14.15 5.24 0.20 1 0.81 0 3 18.77 14.15 5.24 0.20 19.05 14.17 5.26 0.20 1 0.81 0 3 19.05 14.17 5.26 0.20 19.33 14.20 5.28 0.20 1 0.81 0 3 19.33 14.20 5.28 0.20 19.59 14.22 5.27 0.20 1 0.81 0 3 19.59 14.22 5.27 0.20 19.84 14.25 5.24 0.20 1 0.81 0 3 19.84 14.25 5.24 0.20 20.06 14.28 5.20 0.20 1 0.81 0 3 20.06 14.28 5.20 0.20 20.27 14.31 5.13 0.20 1 0.81 0 3 20.27 14.31 5.13 0.20 20.48 14.34 5.05 0.20 1 0.81 0 3 20.48 14.34 5.05 0.20 20.67 14.38 4.95 0.20 1 0.81 0 3 20.67 14.38 4.95 0.20 20.86 14.41 4.83 0.20 1 0.81 0 3 20.86 14.41 4.83 0.20 21.03 14.45 4.70 0.20 1 0.81 0 3 21.03 14.45 4.70 0.20 21.19 14.49 4.55 0.20 1 0.81 0 3 21.19 14.49 4.55 0.20 21.34 14.53 4.39 0.20 1 0.81 0 3 21.34 14.53 4.39 0.20 21.47 14.57 4.21 0.20 1 0.81 0 3 21.47 14.57 4.21 0.20 21.58 14.60 4.02 0.20 1 0.81 0 3 21.58 14.60 4.02 0.20 21.67 14.62 3.83 0.20 1 0.81 0 3 21.67 14.62 3.83 0.20 21.74 14.63 3.61 0.20 1 0.81 0 3 21.74 14.63 3.61 0.20 21.78 14.61 3.38 0.20 1 0.81 0 3 21.78 14.61 3.38 0.20 21.80 14.59 3.13 0.20 1 0.81 0 3 21.80 14.59 3.13 0.20 21.80 14.56 2.87 0.20 1 0.81 0 3 21.80 14.56 2.87 0.20 21.79 14.53 2.60 0.20 1 0.81 0 3 21.79 14.53 2.60 0.20 21.77 14.51 2.31 0.20 1 0.81 0 3 21.77 14.51 2.31 0.20 21.75 14.51 2.03 0.20 1 0.81 0 3 21.75 14.51 2.03 0.20 21.74 14.53 1.74 0.20 1 0.81 0 3 21.74 14.53 1.74 0.20 21.73 14.59 1.45 0.20 1 0.81 0 3 21.73 14.59 1.45 0.20 21.74 14.69 1.17 0.20 1 0.81 0 1 21.23 15.49 1.59 22.67 14.28 0.91 21.24 15.69 1.25 1 0.81 0 7 0.693 0.666 0.277 0.693 0.666 0.277 0.718 0.641 0.256 1 22.67 14.28 0.91 21.24 15.69 1.25 22.62 14.41 0.56 1 0.81 0 7 0.693 0.666 0.277 0.718 0.641 0.256 0.718 0.641 0.256 1 21.24 15.69 1.25 22.62 14.41 0.56 21.24 15.95 0.78 1 0.81 0 7 0.718 0.641 0.256 0.718 0.641 0.256 0.743 0.616 0.236 1 22.62 14.41 0.56 21.24 15.95 0.78 22.57 14.62 0.10 1 0.81 0 7 0.718 0.641 0.256 0.743 0.616 0.236 0.743 0.616 0.236 1 21.24 15.95 0.78 22.57 14.62 0.10 21.24 16.26 0.22 1 0.81 0 7 0.743 0.616 0.236 0.743 0.616 0.236 0.768 0.591 0.215 1 22.57 14.62 0.10 21.24 16.26 0.22 22.50 14.87 -0.46 1 0.81 0 7 0.743 0.616 0.236 0.768 0.591 0.215 0.768 0.591 0.215 1 21.24 16.26 0.22 22.50 14.87 -0.46 21.24 16.58 -0.39 1 0.81 0 7 0.768 0.591 0.215 0.768 0.591 0.215 0.793 0.566 0.195 1 22.50 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16.22 -5.78 21.27 16.20 -6.33 0.36 0.2916 0 1 21.91 16.22 -5.78 21.27 16.20 -6.33 21.85 16.25 -6.29 0.36 0.2916 0 1 21.27 16.20 -6.33 21.85 16.25 -6.29 21.22 16.27 -6.84 0.36 0.2916 0 1 21.85 16.25 -6.29 21.22 16.27 -6.84 21.80 16.28 -6.81 0.36 0.2916 0 1 21.22 16.27 -6.84 21.80 16.28 -6.81 21.17 16.34 -7.35 0.36 0.2916 0 1 21.80 16.28 -6.81 21.17 16.34 -7.35 21.76 16.29 -7.32 0.36 0.2916 0 1 21.17 16.34 -7.35 21.76 16.29 -7.32 21.13 16.39 -7.87 0.36 0.2916 0 1 21.76 16.29 -7.32 21.13 16.39 -7.87 21.71 16.30 -7.83 0.36 0.2916 0 1 21.13 16.39 -7.87 21.71 16.30 -7.83 21.09 16.44 -8.37 0.36 0.2916 0 1 21.71 16.30 -7.83 21.09 16.44 -8.37 21.67 16.31 -8.34 0.36 0.2916 0 1 21.09 16.44 -8.37 21.67 16.31 -8.34 21.11 16.46 -8.87 0.36 0.2916 0 1 21.67 16.31 -8.34 21.11 16.46 -8.87 21.68 16.31 -8.83 0.36 0.2916 0 1 21.11 16.46 -8.87 21.68 16.31 -8.83 21.13 16.47 -9.37 0.36 0.2916 0 1 21.68 16.31 -8.83 21.13 16.47 -9.37 21.70 16.30 -9.33 0.36 0.2916 0 1 21.13 16.47 -9.37 21.70 16.30 -9.33 21.15 16.46 -9.87 0.36 0.2916 0 1 21.70 16.30 -9.33 21.15 16.46 -9.87 21.71 16.28 -9.82 0.36 0.2916 0 1 21.15 16.46 -9.87 21.71 16.28 -9.82 21.17 16.44 -10.36 0.36 0.2916 0 1 21.71 16.28 -9.82 21.17 16.44 -10.36 21.73 16.24 -10.30 0.36 0.2916 0 1 21.17 16.44 -10.36 21.73 16.24 -10.30 21.19 16.41 -10.85 0.36 0.2916 0 1 21.73 16.24 -10.30 21.19 16.41 -10.85 21.75 16.20 -10.78 0.36 0.2916 0 1 21.19 16.41 -10.85 21.75 16.20 -10.78 21.20 16.37 -11.33 0.36 0.2916 0 1 21.75 16.20 -10.78 21.20 16.37 -11.33 21.75 16.14 -11.26 0.36 0.2916 0 1 21.20 16.37 -11.33 21.75 16.14 -11.26 21.21 16.30 -11.81 0.36 0.2916 0 1 21.75 16.14 -11.26 21.21 16.30 -11.81 21.76 16.07 -11.73 0.36 0.2916 0 1 21.21 16.30 -11.81 21.76 16.07 -11.73 21.22 16.23 -12.28 0.36 0.2916 0 1 21.76 16.07 -11.73 21.22 16.23 -12.28 21.76 15.98 -12.19 0.36 0.2916 0 1 21.22 16.23 -12.28 21.76 15.98 -12.19 21.22 16.14 -12.75 0.36 0.2916 0 1 21.76 15.98 -12.19 21.22 16.14 -12.75 21.75 15.88 -12.64 0.36 0.2916 0 1 21.22 16.14 -12.75 21.75 15.88 -12.64 21.22 16.04 -13.21 0.36 0.2916 0 1 21.75 15.88 -12.64 21.22 16.04 -13.21 21.74 15.78 -13.09 0.36 0.2916 0 1 21.22 16.04 -13.21 21.74 15.78 -13.09 21.23 15.93 -13.67 0.36 0.2916 0 1 21.74 15.78 -13.09 21.23 15.93 -13.67 21.74 15.65 -13.54 0.36 0.2916 0 1 21.23 15.93 -13.67 21.74 15.65 -13.54 21.25 15.80 -14.12 0.36 0.2916 0 1 21.74 15.65 -13.54 21.25 15.80 -14.12 21.76 15.52 -13.97 0.36 0.2916 0 1 21.25 15.80 -14.12 21.76 15.52 -13.97 21.30 15.64 -14.56 0.36 0.2916 0 1 21.76 15.52 -13.97 21.30 15.64 -14.56 21.81 15.37 -14.40 0.36 0.2916 0 1 21.30 15.64 -14.56 21.81 15.37 -14.40 21.35 15.46 -14.99 0.36 0.2916 0 1 21.81 15.37 -14.40 21.35 15.46 -14.99 21.86 15.21 -14.81 0.36 0.2916 0 1 21.35 15.46 -14.99 21.86 15.21 -14.81 21.41 15.27 -15.42 0.36 0.2916 0 1 21.86 15.21 -14.81 21.41 15.27 -15.42 21.91 15.03 -15.22 0.36 0.2916 0 1 21.41 15.27 -15.42 21.91 15.03 -15.22 21.48 15.07 -15.84 0.36 0.2916 0 1 21.91 15.03 -15.22 21.48 15.07 -15.84 21.98 14.84 -15.62 0.36 0.2916 0 1 21.48 15.07 -15.84 21.98 14.84 -15.62 21.56 14.86 -16.25 0.36 0.2916 0 1 21.98 14.84 -15.62 21.56 14.86 -16.25 22.07 14.65 -16.01 0.36 0.2916 0 1 21.56 14.86 -16.25 22.07 14.65 -16.01 21.67 14.64 -16.64 0.36 0.2916 0 1 22.07 14.65 -16.01 21.67 14.64 -16.64 22.17 14.44 -16.39 0.36 0.2916 0 1 23.38 16.48 -17.17 22.88 16.68 -17.43 23.14 16.07 -17.02 0.36 0.2916 0 1 23.14 16.07 -17.02 22.88 16.68 -17.43 22.63 16.27 -17.27 0.36 0.2916 0 1 21.43 14.23 -16.49 21.93 14.03 -16.23 21.67 14.64 -16.64 0.36 0.2916 0 1 21.67 14.64 -16.64 21.93 14.03 -16.23 22.17 14.44 -16.39 0.36 0.2916 0 1 21.23 15.49 1.59 20.82 15.09 1.43 22.25 13.88 0.74 0.36 0.2916 0 1 22.25 13.88 0.74 22.67 14.28 0.91 21.23 15.49 1.59 0.36 0.2916 0 1 22.88 16.68 -17.43 23.38 16.48 -17.17 23.03 15.29 -18.34 0.36 0.2916 0 1 23.38 16.48 -17.17 23.03 15.29 -18.34 23.52 15.10 -18.05 0.36 0.2916 0 1 23.03 15.29 -18.34 23.52 15.10 -18.05 23.17 13.91 -19.24 0.36 0.2916 0 1 23.52 15.10 -18.05 23.17 13.91 -19.24 23.64 13.74 -18.91 0.36 0.2916 0 1 21.43 14.23 -16.49 21.93 14.03 -16.23 22.29 14.08 -17.86 0.36 0.2916 0 1 21.93 14.03 -16.23 22.29 14.08 -17.86 22.78 13.89 -17.56 0.36 0.2916 0 1 22.29 14.08 -17.86 22.78 13.89 -17.56 23.17 13.91 -19.24 0.36 0.2916 0 1 22.78 13.89 -17.56 23.17 13.91 -19.24 23.64 13.74 -18.91 0.36 0.2916 0 3 23.41 13.82 -19.07 0.20 23.59 13.56 -19.14 0.20 1 0.81 0 3 23.59 13.56 -19.14 0.20 23.76 13.27 -19.18 0.20 1 0.81 0 3 23.76 13.27 -19.18 0.20 23.91 12.98 -19.20 0.20 1 0.81 0 3 23.91 12.98 -19.20 0.20 24.05 12.68 -19.19 0.20 1 0.81 0 3 24.05 12.68 -19.19 0.20 24.19 12.37 -19.17 0.20 1 0.81 0 3 24.19 12.37 -19.17 0.20 24.32 12.07 -19.14 0.20 1 0.81 0 3 24.32 12.07 -19.14 0.20 24.46 11.77 -19.10 0.20 1 0.81 0 3 24.46 11.77 -19.10 0.20 24.60 11.49 -19.06 0.20 1 0.81 0 3 24.60 11.49 -19.06 0.20 24.76 11.21 -19.03 0.20 1 0.81 0 3 24.76 11.21 -19.03 0.20 24.93 10.96 -19.01 0.20 1 0.81 0 3 24.93 10.96 -19.01 0.20 25.12 10.72 -18.99 0.20 1 0.81 0 3 25.12 10.72 -18.99 0.20 25.32 10.50 -18.97 0.20 1 0.81 0 3 25.32 10.50 -18.97 0.20 25.53 10.29 -18.94 0.20 1 0.81 0 3 25.53 10.29 -18.94 0.20 25.74 10.08 -18.92 0.20 1 0.81 0 3 25.74 10.08 -18.92 0.20 25.96 9.88 -18.89 0.20 1 0.81 0 3 25.96 9.88 -18.89 0.20 26.18 9.69 -18.86 0.20 1 0.81 0 3 26.18 9.69 -18.86 0.20 26.41 9.51 -18.83 0.20 1 0.81 0 3 26.41 9.51 -18.83 0.20 26.64 9.32 -18.79 0.20 1 0.81 0 3 26.64 9.32 -18.79 0.20 26.88 9.14 -18.76 0.20 1 0.81 0 3 26.88 9.14 -18.76 0.20 27.11 8.97 -18.72 0.20 1 0.81 0 3 27.11 8.97 -18.72 0.20 27.35 8.79 -18.68 0.20 1 0.81 0 3 27.35 8.79 -18.68 0.20 27.59 8.63 -18.64 0.20 1 0.81 0 3 27.59 8.63 -18.64 0.20 27.84 8.47 -18.60 0.20 1 0.81 0 3 27.84 8.47 -18.60 0.20 28.09 8.32 -18.56 0.20 1 0.81 0 3 28.09 8.32 -18.56 0.20 28.35 8.18 -18.51 0.20 1 0.81 0 3 28.35 8.18 -18.51 0.20 28.60 8.03 -18.47 0.20 1 0.81 0 3 28.60 8.03 -18.47 0.20 28.86 7.88 -18.42 0.20 1 0.81 0 3 28.86 7.88 -18.42 0.20 29.11 7.72 -18.36 0.20 1 0.81 0 3 29.11 7.72 -18.36 0.20 29.35 7.56 -18.31 0.20 1 0.81 0 3 29.35 7.56 -18.31 0.20 29.59 7.39 -18.25 0.20 1 0.81 0 3 29.59 7.39 -18.25 0.20 29.84 7.22 -18.19 0.20 1 0.81 0 3 29.84 7.22 -18.19 0.20 30.11 7.04 -18.13 0.20 1 0.81 0 3 30.11 7.04 -18.13 0.20 30.39 6.87 -18.08 0.20 1 0.81 0 3 30.39 6.87 -18.08 0.20 30.67 6.69 -18.02 0.20 1 0.81 0 3 30.67 6.69 -18.02 0.20 30.94 6.50 -17.96 0.20 1 0.81 0 3 30.94 6.50 -17.96 0.20 31.19 6.31 -17.89 0.20 1 0.81 0 3 31.19 6.31 -17.89 0.20 31.41 6.11 -17.81 0.20 1 0.81 0 3 31.41 6.11 -17.81 0.20 31.60 5.90 -17.72 0.20 1 0.81 0 3 31.60 5.90 -17.72 0.20 31.74 5.68 -17.61 0.20 1 0.81 0 3 31.74 5.68 -17.61 0.20 31.82 5.45 -17.48 0.20 1 0.81 0 1 31.31 6.03 -16.79 31.74 4.80 -18.30 31.28 5.74 -16.56 1 0.81 0 7 -0.975 -0.103 -0.199 -0.975 -0.103 -0.199 -0.974 -0.114 -0.195 1 31.74 4.80 -18.30 31.28 5.74 -16.56 31.73 4.51 -18.07 1 0.81 0 7 -0.975 -0.103 -0.199 -0.974 -0.114 -0.195 -0.974 -0.114 -0.195 1 31.28 5.74 -16.56 31.73 4.51 -18.07 31.24 5.33 -16.24 1 0.81 0 7 -0.974 -0.114 -0.195 -0.974 -0.114 -0.195 -0.973 -0.125 -0.191 1 31.73 4.51 -18.07 31.24 5.33 -16.24 31.70 4.10 -17.75 1 0.81 0 7 -0.974 -0.114 -0.195 -0.973 -0.125 -0.191 -0.973 -0.125 -0.191 1 31.24 5.33 -16.24 31.70 4.10 -17.75 31.20 4.85 -15.86 1 0.81 0 7 -0.973 -0.125 -0.191 -0.973 -0.125 -0.191 -0.972 -0.135 -0.187 1 31.70 4.10 -17.75 31.20 4.85 -15.86 31.66 3.63 -17.37 1 0.81 0 7 -0.973 -0.125 -0.191 -0.972 -0.135 -0.187 -0.972 -0.135 -0.187 1 31.20 4.85 -15.86 31.66 3.63 -17.37 31.16 4.34 -15.45 1 0.81 0 7 -0.972 -0.135 -0.187 -0.972 -0.135 -0.187 -0.971 -0.146 -0.184 1 31.66 3.63 -17.37 31.16 4.34 -15.45 31.63 3.11 -16.96 1 0.81 0 7 -0.972 -0.135 -0.187 -0.971 -0.146 -0.184 -0.971 -0.146 -0.184 1 31.16 4.34 -15.45 31.63 3.11 -16.96 31.14 3.82 -15.04 1 0.81 0 7 -0.971 -0.146 -0.184 -0.971 -0.146 -0.184 -0.971 -0.157 -0.180 1 31.63 3.11 -16.96 31.14 3.82 -15.04 31.62 2.60 -16.55 1 0.81 0 7 -0.971 -0.146 -0.184 -0.971 -0.157 -0.180 -0.971 -0.157 -0.180 1 31.14 3.82 -15.04 31.62 2.60 -16.55 31.13 3.35 -14.66 1 0.81 0 7 -0.971 -0.157 -0.180 -0.971 -0.157 -0.180 -0.970 -0.168 -0.176 1 31.62 2.60 -16.55 31.13 3.35 -14.66 31.62 2.13 -16.17 1 0.81 0 7 -0.971 -0.157 -0.180 -0.970 -0.168 -0.176 -0.970 -0.168 -0.176 1 31.13 3.35 -14.66 31.62 2.13 -16.17 31.14 2.90 -14.31 1 0.81 0 7 -0.970 -0.168 -0.176 -0.970 -0.168 -0.176 -0.966 -0.190 -0.170 1 31.62 2.13 -16.17 31.14 2.90 -14.31 31.65 1.69 -15.81 1 0.81 0 7 -0.970 -0.168 -0.176 -0.966 -0.190 -0.170 -0.966 -0.190 -0.170 1 31.14 2.90 -14.31 31.65 1.69 -15.81 31.16 2.46 -13.95 1 0.81 0 7 -0.966 -0.190 -0.170 -0.966 -0.190 -0.170 -0.961 -0.212 -0.164 1 31.65 1.69 -15.81 31.16 2.46 -13.95 31.69 1.25 -15.45 1 0.81 0 7 -0.966 -0.190 -0.170 -0.961 -0.212 -0.164 -0.961 -0.212 -0.164 1 31.16 2.46 -13.95 31.69 1.25 -15.45 31.20 2.02 -13.59 1 0.81 0 7 -0.961 -0.212 -0.164 -0.961 -0.212 -0.164 -0.957 -0.234 -0.158 1 31.69 1.25 -15.45 31.20 2.02 -13.59 31.74 0.81 -15.10 1 0.81 0 7 -0.961 -0.212 -0.164 -0.957 -0.234 -0.158 -0.957 -0.234 -0.158 1 31.20 2.02 -13.59 31.74 0.81 -15.10 31.24 1.58 -13.24 1 0.81 0 7 -0.957 -0.234 -0.158 -0.957 -0.234 -0.158 -0.952 -0.256 -0.152 1 31.74 0.81 -15.10 31.24 1.58 -13.24 31.80 0.38 -14.74 1 0.81 0 7 -0.957 -0.234 -0.158 -0.952 -0.256 -0.152 -0.952 -0.256 -0.152 1 31.24 1.58 -13.24 31.80 0.38 -14.74 31.30 1.14 -12.88 1 0.81 0 7 -0.952 -0.256 -0.152 -0.952 -0.256 -0.152 -0.948 -0.278 -0.145 1 31.80 0.38 -14.74 31.30 1.14 -12.88 31.88 -0.05 -14.37 1 0.81 0 7 -0.952 -0.256 -0.152 -0.948 -0.278 -0.145 -0.948 -0.278 -0.145 1 31.30 1.14 -12.88 31.88 -0.05 -14.37 31.37 0.71 -12.51 1 0.81 0 7 -0.948 -0.278 -0.145 -0.948 -0.278 -0.145 -0.944 -0.300 -0.139 1 31.88 -0.05 -14.37 31.37 0.71 -12.51 31.96 -0.47 -14.01 1 0.81 0 7 -0.948 -0.278 -0.145 -0.944 -0.300 -0.139 -0.944 -0.300 -0.139 1 31.37 0.71 -12.51 31.96 -0.47 -14.01 31.44 0.29 -12.15 1 0.81 0 7 -0.944 -0.300 -0.139 -0.944 -0.300 -0.139 -0.936 -0.321 -0.133 1 31.96 -0.47 -14.01 31.44 0.29 -12.15 32.06 -0.90 -13.64 1 0.81 0 7 -0.944 -0.300 -0.139 -0.936 -0.321 -0.133 -0.936 -0.321 -0.133 1 31.44 0.29 -12.15 32.06 -0.90 -13.64 31.53 -0.13 -11.79 1 0.81 0 7 -0.936 -0.321 -0.133 -0.936 -0.321 -0.133 -0.929 -0.341 -0.126 1 32.06 -0.90 -13.64 31.53 -0.13 -11.79 32.17 -1.32 -13.27 1 0.81 0 7 -0.936 -0.321 -0.133 -0.929 -0.341 -0.126 -0.929 -0.341 -0.126 1 31.53 -0.13 -11.79 32.17 -1.32 -13.27 31.63 -0.55 -11.42 1 0.81 0 7 -0.929 -0.341 -0.126 -0.929 -0.341 -0.126 -0.922 -0.362 -0.120 1 32.17 -1.32 -13.27 31.63 -0.55 -11.42 32.29 -1.73 -12.90 1 0.81 0 7 -0.929 -0.341 -0.126 -0.922 -0.362 -0.120 -0.922 -0.362 -0.120 1 31.63 -0.55 -11.42 32.29 -1.73 -12.90 31.74 -0.97 -11.05 1 0.81 0 7 -0.922 -0.362 -0.120 -0.922 -0.362 -0.120 -0.915 -0.383 -0.113 1 32.29 -1.73 -12.90 31.74 -0.97 -11.05 32.42 -2.14 -12.52 1 0.81 0 7 -0.922 -0.362 -0.120 -0.915 -0.383 -0.113 -0.915 -0.383 -0.113 1 31.74 -0.97 -11.05 32.42 -2.14 -12.52 31.86 -1.38 -10.67 1 0.81 0 7 -0.915 -0.383 -0.113 -0.915 -0.383 -0.113 -0.907 -0.403 -0.106 1 32.42 -2.14 -12.52 31.86 -1.38 -10.67 32.56 -2.55 -12.14 1 0.81 0 7 -0.915 -0.383 -0.113 -0.907 -0.403 -0.106 -0.907 -0.403 -0.106 1 31.86 -1.38 -10.67 32.56 -2.55 -12.14 31.99 -1.78 -10.30 1 0.81 0 7 -0.907 -0.403 -0.106 -0.907 -0.403 -0.106 -0.900 -0.424 -0.100 1 32.56 -2.55 -12.14 31.99 -1.78 -10.30 32.70 -2.95 -11.76 1 0.81 0 7 -0.907 -0.403 -0.106 -0.900 -0.424 -0.100 -0.900 -0.424 -0.100 1 31.82 -1.49 -9.93 32.88 -3.24 -12.13 32.59 -3.07 -9.31 1 0.81 0 7 -0.900 -0.424 -0.100 -0.900 -0.424 -0.100 -0.886 -0.455 -0.091 1 32.88 -3.24 -12.13 32.59 -3.07 -9.31 33.15 -3.94 -10.40 1 0.81 0 7 -0.900 -0.424 -0.100 -0.886 -0.455 -0.091 -0.886 -0.455 -0.091 1 32.59 -3.07 -9.31 33.15 -3.94 -10.40 33.40 -4.64 -8.68 1 0.81 0 1 31.89 6.09 -16.67 32.33 4.86 -18.18 31.86 5.81 -16.44 1 0.81 0 7 0.975 0.103 0.199 0.975 0.103 0.199 0.974 0.114 0.195 1 32.33 4.86 -18.18 31.86 5.81 -16.44 32.31 4.57 -17.95 1 0.81 0 7 0.975 0.103 0.199 0.974 0.114 0.195 0.974 0.114 0.195 1 31.86 5.81 -16.44 32.31 4.57 -17.95 31.83 5.41 -16.12 1 0.81 0 7 0.974 0.114 0.195 0.974 0.114 0.195 0.973 0.125 0.191 1 32.31 4.57 -17.95 31.83 5.41 -16.12 32.28 4.18 -17.63 1 0.81 0 7 0.974 0.114 0.195 0.973 0.125 0.191 0.973 0.125 0.191 1 31.83 5.41 -16.12 32.28 4.18 -17.63 31.78 4.93 -15.75 1 0.81 0 7 0.973 0.125 0.191 0.973 0.125 0.191 0.972 0.135 0.187 1 32.28 4.18 -17.63 31.78 4.93 -15.75 32.25 3.71 -17.26 1 0.81 0 7 0.973 0.125 0.191 0.972 0.135 0.187 0.972 0.135 0.187 1 31.78 4.93 -15.75 32.25 3.71 -17.26 31.75 4.42 -15.34 1 0.81 0 7 0.972 0.135 0.187 0.972 0.135 0.187 0.971 0.146 0.184 1 32.25 3.71 -17.26 31.75 4.42 -15.34 32.22 3.20 -16.85 1 0.81 0 7 0.972 0.135 0.187 0.971 0.146 0.184 0.971 0.146 0.184 1 31.75 4.42 -15.34 32.22 3.20 -16.85 31.72 3.92 -14.93 1 0.81 0 7 0.971 0.146 0.184 0.971 0.146 0.184 0.971 0.157 0.180 1 32.22 3.20 -16.85 31.72 3.92 -14.93 32.20 2.70 -16.44 1 0.81 0 7 0.971 0.146 0.184 0.971 0.157 0.180 0.971 0.157 0.180 1 31.72 3.92 -14.93 32.20 2.70 -16.44 31.71 3.45 -14.56 1 0.81 0 7 0.971 0.157 0.180 0.971 0.157 0.180 0.970 0.168 0.176 1 32.20 2.70 -16.44 31.71 3.45 -14.56 32.20 2.23 -16.07 1 0.81 0 7 0.971 0.157 0.180 0.970 0.168 0.176 0.970 0.168 0.176 1 31.71 3.45 -14.56 32.20 2.23 -16.07 31.72 3.02 -14.20 1 0.81 0 7 0.970 0.168 0.176 0.970 0.168 0.176 0.966 0.190 0.170 1 32.20 2.23 -16.07 31.72 3.02 -14.20 32.23 1.80 -15.71 1 0.81 0 7 0.970 0.168 0.176 0.966 0.190 0.170 0.966 0.190 0.170 1 31.72 3.02 -14.20 32.23 1.80 -15.71 31.74 2.59 -13.85 1 0.81 0 7 0.966 0.190 0.170 0.966 0.190 0.170 0.961 0.212 0.164 1 32.23 1.80 -15.71 31.74 2.59 -13.85 32.26 1.38 -15.36 1 0.81 0 7 0.966 0.190 0.170 0.961 0.212 0.164 0.961 0.212 0.164 1 31.74 2.59 -13.85 32.26 1.38 -15.36 31.77 2.16 -13.50 1 0.81 0 7 0.961 0.212 0.164 0.961 0.212 0.164 0.957 0.234 0.158 1 32.26 1.38 -15.36 31.77 2.16 -13.50 32.31 0.95 -15.00 1 0.81 0 7 0.961 0.212 0.164 0.957 0.234 0.158 0.957 0.234 0.158 1 31.77 2.16 -13.50 32.31 0.95 -15.00 31.82 1.73 -13.15 1 0.81 0 7 0.957 0.234 0.158 0.957 0.234 0.158 0.952 0.256 0.152 1 32.31 0.95 -15.00 31.82 1.73 -13.15 32.38 0.53 -14.64 1 0.81 0 7 0.957 0.234 0.158 0.952 0.256 0.152 0.952 0.256 0.152 1 31.82 1.73 -13.15 32.38 0.53 -14.64 31.87 1.31 -12.79 1 0.81 0 7 0.952 0.256 0.152 0.952 0.256 0.152 0.948 0.278 0.145 1 32.38 0.53 -14.64 31.87 1.31 -12.79 32.45 0.12 -14.29 1 0.81 0 7 0.952 0.256 0.152 0.948 0.278 0.145 0.948 0.278 0.145 1 31.87 1.31 -12.79 32.45 0.12 -14.29 31.93 0.89 -12.43 1 0.81 0 7 0.948 0.278 0.145 0.948 0.278 0.145 0.944 0.300 0.139 1 32.45 0.12 -14.29 31.93 0.89 -12.43 32.53 -0.29 -13.93 1 0.81 0 7 0.948 0.278 0.145 0.944 0.300 0.139 0.944 0.300 0.139 1 31.93 0.89 -12.43 32.53 -0.29 -13.93 32.01 0.48 -12.07 1 0.81 0 7 0.944 0.300 0.139 0.944 0.300 0.139 0.936 0.321 0.133 1 32.53 -0.29 -13.93 32.01 0.48 -12.07 32.62 -0.70 -13.56 1 0.81 0 7 0.944 0.300 0.139 0.936 0.321 0.133 0.936 0.321 0.133 1 32.01 0.48 -12.07 32.62 -0.70 -13.56 32.09 0.07 -11.71 1 0.81 0 7 0.936 0.321 0.133 0.936 0.321 0.133 0.929 0.341 0.126 1 32.62 -0.70 -13.56 32.09 0.07 -11.71 32.73 -1.11 -13.19 1 0.81 0 7 0.936 0.321 0.133 0.929 0.341 0.126 0.929 0.341 0.126 1 32.09 0.07 -11.71 32.73 -1.11 -13.19 32.19 -0.34 -11.35 1 0.81 0 7 0.929 0.341 0.126 0.929 0.341 0.126 0.922 0.362 0.120 1 32.73 -1.11 -13.19 32.19 -0.34 -11.35 32.84 -1.51 -12.82 1 0.81 0 7 0.929 0.341 0.126 0.922 0.362 0.120 0.922 0.362 0.120 1 32.19 -0.34 -11.35 32.84 -1.51 -12.82 32.29 -0.74 -10.98 1 0.81 0 7 0.922 0.362 0.120 0.922 0.362 0.120 0.915 0.383 0.113 1 32.84 -1.51 -12.82 32.29 -0.74 -10.98 32.96 -1.91 -12.45 1 0.81 0 7 0.922 0.362 0.120 0.915 0.383 0.113 0.915 0.383 0.113 1 32.29 -0.74 -10.98 32.96 -1.91 -12.45 32.41 -1.14 -10.61 1 0.81 0 7 0.915 0.383 0.113 0.915 0.383 0.113 0.907 0.403 0.106 1 32.96 -1.91 -12.45 32.41 -1.14 -10.61 33.10 -2.31 -12.08 1 0.81 0 7 0.915 0.383 0.113 0.907 0.403 0.106 0.907 0.403 0.106 1 32.41 -1.14 -10.61 33.10 -2.31 -12.08 32.53 -1.53 -10.24 1 0.81 0 7 0.907 0.403 0.106 0.907 0.403 0.106 0.900 0.424 0.100 1 33.10 -2.31 -12.08 32.53 -1.53 -10.24 33.24 -2.69 -11.70 1 0.81 0 7 0.907 0.403 0.106 0.900 0.424 0.100 0.900 0.424 0.100 1 32.36 -1.24 -9.87 33.42 -2.98 -12.07 33.13 -2.79 -9.25 1 0.81 0 7 0.900 0.424 0.100 0.900 0.424 0.100 0.886 0.455 0.091 1 33.42 -2.98 -12.07 33.13 -2.79 -9.25 33.68 -3.66 -10.34 1 0.81 0 7 0.900 0.424 0.100 0.886 0.455 0.091 0.886 0.455 0.091 1 33.13 -2.79 -9.25 33.68 -3.66 -10.34 33.92 -4.34 -8.63 1 0.81 0 1 31.89 6.09 -16.67 31.31 6.03 -16.79 31.86 5.81 -16.44 0.36 0.2916 0 1 31.31 6.03 -16.79 31.86 5.81 -16.44 31.28 5.74 -16.56 0.36 0.2916 0 1 31.86 5.81 -16.44 31.28 5.74 -16.56 31.83 5.41 -16.12 0.36 0.2916 0 1 31.28 5.74 -16.56 31.83 5.41 -16.12 31.24 5.33 -16.24 0.36 0.2916 0 1 31.83 5.41 -16.12 31.24 5.33 -16.24 31.78 4.93 -15.75 0.36 0.2916 0 1 31.24 5.33 -16.24 31.78 4.93 -15.75 31.20 4.85 -15.86 0.36 0.2916 0 1 31.78 4.93 -15.75 31.20 4.85 -15.86 31.75 4.42 -15.34 0.36 0.2916 0 1 31.20 4.85 -15.86 31.75 4.42 -15.34 31.16 4.34 -15.45 0.36 0.2916 0 1 31.75 4.42 -15.34 31.16 4.34 -15.45 31.72 3.92 -14.93 0.36 0.2916 0 1 31.16 4.34 -15.45 31.72 3.92 -14.93 31.14 3.82 -15.04 0.36 0.2916 0 1 31.72 3.92 -14.93 31.14 3.82 -15.04 31.71 3.45 -14.56 0.36 0.2916 0 1 31.14 3.82 -15.04 31.71 3.45 -14.56 31.13 3.35 -14.66 0.36 0.2916 0 1 31.71 3.45 -14.56 31.13 3.35 -14.66 31.72 3.02 -14.20 0.36 0.2916 0 1 31.13 3.35 -14.66 31.72 3.02 -14.20 31.14 2.90 -14.31 0.36 0.2916 0 1 31.72 3.02 -14.20 31.14 2.90 -14.31 31.74 2.59 -13.85 0.36 0.2916 0 1 31.14 2.90 -14.31 31.74 2.59 -13.85 31.16 2.46 -13.95 0.36 0.2916 0 1 31.74 2.59 -13.85 31.16 2.46 -13.95 31.77 2.16 -13.50 0.36 0.2916 0 1 31.16 2.46 -13.95 31.77 2.16 -13.50 31.20 2.02 -13.59 0.36 0.2916 0 1 31.77 2.16 -13.50 31.20 2.02 -13.59 31.82 1.73 -13.15 0.36 0.2916 0 1 31.20 2.02 -13.59 31.82 1.73 -13.15 31.24 1.58 -13.24 0.36 0.2916 0 1 31.82 1.73 -13.15 31.24 1.58 -13.24 31.87 1.31 -12.79 0.36 0.2916 0 1 31.24 1.58 -13.24 31.87 1.31 -12.79 31.30 1.14 -12.88 0.36 0.2916 0 1 31.87 1.31 -12.79 31.30 1.14 -12.88 31.93 0.89 -12.43 0.36 0.2916 0 1 31.30 1.14 -12.88 31.93 0.89 -12.43 31.37 0.71 -12.51 0.36 0.2916 0 1 31.93 0.89 -12.43 31.37 0.71 -12.51 32.01 0.48 -12.07 0.36 0.2916 0 1 31.37 0.71 -12.51 32.01 0.48 -12.07 31.44 0.29 -12.15 0.36 0.2916 0 1 32.01 0.48 -12.07 31.44 0.29 -12.15 32.09 0.07 -11.71 0.36 0.2916 0 1 31.44 0.29 -12.15 32.09 0.07 -11.71 31.53 -0.13 -11.79 0.36 0.2916 0 1 32.09 0.07 -11.71 31.53 -0.13 -11.79 32.19 -0.34 -11.35 0.36 0.2916 0 1 31.53 -0.13 -11.79 32.19 -0.34 -11.35 31.63 -0.55 -11.42 0.36 0.2916 0 1 32.19 -0.34 -11.35 31.63 -0.55 -11.42 32.29 -0.74 -10.98 0.36 0.2916 0 1 31.63 -0.55 -11.42 32.29 -0.74 -10.98 31.74 -0.97 -11.05 0.36 0.2916 0 1 32.29 -0.74 -10.98 31.74 -0.97 -11.05 32.41 -1.14 -10.61 0.36 0.2916 0 1 31.74 -0.97 -11.05 32.41 -1.14 -10.61 31.86 -1.38 -10.67 0.36 0.2916 0 1 32.41 -1.14 -10.61 31.86 -1.38 -10.67 32.53 -1.53 -10.24 0.36 0.2916 0 1 31.86 -1.38 -10.67 32.53 -1.53 -10.24 31.99 -1.78 -10.30 0.36 0.2916 0 1 32.33 4.86 -18.18 31.74 4.80 -18.30 32.31 4.57 -17.95 0.36 0.2916 0 1 31.74 4.80 -18.30 32.31 4.57 -17.95 31.73 4.51 -18.07 0.36 0.2916 0 1 32.31 4.57 -17.95 31.73 4.51 -18.07 32.28 4.18 -17.63 0.36 0.2916 0 1 31.73 4.51 -18.07 32.28 4.18 -17.63 31.70 4.10 -17.75 0.36 0.2916 0 1 32.28 4.18 -17.63 31.70 4.10 -17.75 32.25 3.71 -17.26 0.36 0.2916 0 1 31.70 4.10 -17.75 32.25 3.71 -17.26 31.66 3.63 -17.37 0.36 0.2916 0 1 32.25 3.71 -17.26 31.66 3.63 -17.37 32.22 3.20 -16.85 0.36 0.2916 0 1 31.66 3.63 -17.37 32.22 3.20 -16.85 31.63 3.11 -16.96 0.36 0.2916 0 1 32.22 3.20 -16.85 31.63 3.11 -16.96 32.20 2.70 -16.44 0.36 0.2916 0 1 31.63 3.11 -16.96 32.20 2.70 -16.44 31.62 2.60 -16.55 0.36 0.2916 0 1 32.20 2.70 -16.44 31.62 2.60 -16.55 32.20 2.23 -16.07 0.36 0.2916 0 1 31.62 2.60 -16.55 32.20 2.23 -16.07 31.62 2.13 -16.17 0.36 0.2916 0 1 32.20 2.23 -16.07 31.62 2.13 -16.17 32.23 1.80 -15.71 0.36 0.2916 0 1 31.62 2.13 -16.17 32.23 1.80 -15.71 31.65 1.69 -15.81 0.36 0.2916 0 1 32.23 1.80 -15.71 31.65 1.69 -15.81 32.26 1.38 -15.36 0.36 0.2916 0 1 31.65 1.69 -15.81 32.26 1.38 -15.36 31.69 1.25 -15.45 0.36 0.2916 0 1 32.26 1.38 -15.36 31.69 1.25 -15.45 32.31 0.95 -15.00 0.36 0.2916 0 1 31.69 1.25 -15.45 32.31 0.95 -15.00 31.74 0.81 -15.10 0.36 0.2916 0 1 32.31 0.95 -15.00 31.74 0.81 -15.10 32.38 0.53 -14.64 0.36 0.2916 0 1 31.74 0.81 -15.10 32.38 0.53 -14.64 31.80 0.38 -14.74 0.36 0.2916 0 1 32.38 0.53 -14.64 31.80 0.38 -14.74 32.45 0.12 -14.29 0.36 0.2916 0 1 31.80 0.38 -14.74 32.45 0.12 -14.29 31.88 -0.05 -14.37 0.36 0.2916 0 1 32.45 0.12 -14.29 31.88 -0.05 -14.37 32.53 -0.29 -13.93 0.36 0.2916 0 1 31.88 -0.05 -14.37 32.53 -0.29 -13.93 31.96 -0.47 -14.01 0.36 0.2916 0 1 32.53 -0.29 -13.93 31.96 -0.47 -14.01 32.62 -0.70 -13.56 0.36 0.2916 0 1 31.96 -0.47 -14.01 32.62 -0.70 -13.56 32.06 -0.90 -13.64 0.36 0.2916 0 1 32.62 -0.70 -13.56 32.06 -0.90 -13.64 32.73 -1.11 -13.19 0.36 0.2916 0 1 32.06 -0.90 -13.64 32.73 -1.11 -13.19 32.17 -1.32 -13.27 0.36 0.2916 0 1 32.73 -1.11 -13.19 32.17 -1.32 -13.27 32.84 -1.51 -12.82 0.36 0.2916 0 1 32.17 -1.32 -13.27 32.84 -1.51 -12.82 32.29 -1.73 -12.90 0.36 0.2916 0 1 32.84 -1.51 -12.82 32.29 -1.73 -12.90 32.96 -1.91 -12.45 0.36 0.2916 0 1 32.29 -1.73 -12.90 32.96 -1.91 -12.45 32.42 -2.14 -12.52 0.36 0.2916 0 1 32.96 -1.91 -12.45 32.42 -2.14 -12.52 33.10 -2.31 -12.08 0.36 0.2916 0 1 32.42 -2.14 -12.52 33.10 -2.31 -12.08 32.56 -2.55 -12.14 0.36 0.2916 0 1 33.10 -2.31 -12.08 32.56 -2.55 -12.14 33.24 -2.69 -11.70 0.36 0.2916 0 1 32.56 -2.55 -12.14 33.24 -2.69 -11.70 32.70 -2.95 -11.76 0.36 0.2916 0 1 31.82 -1.49 -9.93 32.36 -1.24 -9.87 31.99 -1.78 -10.30 0.36 0.2916 0 1 31.99 -1.78 -10.30 32.36 -1.24 -9.87 32.53 -1.53 -10.24 0.36 0.2916 0 1 33.42 -2.98 -12.07 32.88 -3.24 -12.13 33.24 -2.69 -11.70 0.36 0.2916 0 1 33.24 -2.69 -11.70 32.88 -3.24 -12.13 32.70 -2.95 -11.76 0.36 0.2916 0 1 31.31 6.03 -16.79 31.89 6.09 -16.67 32.33 4.86 -18.18 0.36 0.2916 0 1 32.33 4.86 -18.18 31.74 4.80 -18.30 31.31 6.03 -16.79 0.36 0.2916 0 1 32.36 -1.24 -9.87 31.82 -1.49 -9.93 33.13 -2.79 -9.25 0.36 0.2916 0 1 31.82 -1.49 -9.93 33.13 -2.79 -9.25 32.59 -3.07 -9.31 0.36 0.2916 0 1 33.13 -2.79 -9.25 32.59 -3.07 -9.31 33.92 -4.34 -8.63 0.36 0.2916 0 1 32.59 -3.07 -9.31 33.92 -4.34 -8.63 33.40 -4.64 -8.68 0.36 0.2916 0 1 33.42 -2.98 -12.07 32.88 -3.24 -12.13 33.68 -3.66 -10.34 0.36 0.2916 0 1 32.88 -3.24 -12.13 33.68 -3.66 -10.34 33.15 -3.94 -10.40 0.36 0.2916 0 1 33.68 -3.66 -10.34 33.15 -3.94 -10.40 33.92 -4.34 -8.63 0.36 0.2916 0 1 33.15 -3.94 -10.40 33.92 -4.34 -8.63 33.40 -4.64 -8.68 0.36 0.2916 0 3 33.66 -4.49 -8.65 0.20 33.79 -4.69 -8.44 0.20 1 0.81 0 3 33.79 -4.69 -8.44 0.20 33.89 -4.91 -8.24 0.20 1 0.81 0 3 33.89 -4.91 -8.24 0.20 33.97 -5.13 -8.05 0.20 1 0.81 0 3 33.97 -5.13 -8.05 0.20 34.04 -5.35 -7.86 0.20 1 0.81 0 3 34.04 -5.35 -7.86 0.20 34.10 -5.58 -7.69 0.20 1 0.81 0 3 34.10 -5.58 -7.69 0.20 34.16 -5.80 -7.51 0.20 1 0.81 0 3 34.16 -5.80 -7.51 0.20 34.21 -6.01 -7.33 0.20 1 0.81 0 3 34.21 -6.01 -7.33 0.20 34.27 -6.21 -7.15 0.20 1 0.81 0 3 34.27 -6.21 -7.15 0.20 34.33 -6.39 -6.96 0.20 1 0.81 0 3 34.33 -6.39 -6.96 0.20 34.40 -6.55 -6.75 0.20 1 0.81 0 3 34.40 -6.55 -6.75 0.20 34.49 -6.69 -6.53 0.20 1 0.81 0 3 34.49 -6.69 -6.53 0.20 34.58 -6.83 -6.31 0.20 1 0.81 0 3 34.58 -6.83 -6.31 0.20 34.68 -6.95 -6.08 0.20 1 0.81 0 3 34.68 -6.95 -6.08 0.20 34.78 -7.07 -5.84 0.20 1 0.81 0 3 34.78 -7.07 -5.84 0.20 34.88 -7.17 -5.60 0.20 1 0.81 0 3 34.88 -7.17 -5.60 0.20 34.97 -7.26 -5.36 0.20 1 0.81 0 3 34.97 -7.26 -5.36 0.20 35.06 -7.34 -5.11 0.20 1 0.81 0 3 35.06 -7.34 -5.11 0.20 35.15 -7.40 -4.87 0.20 1 0.81 0 3 35.15 -7.40 -4.87 0.20 35.22 -7.45 -4.63 0.20 1 0.81 0 3 35.22 -7.45 -4.63 0.20 35.28 -7.48 -4.40 0.20 1 0.81 0 3 35.28 -7.48 -4.40 0.20 35.34 -7.49 -4.16 0.20 1 0.81 0 3 35.34 -7.49 -4.16 0.20 35.39 -7.49 -3.90 0.20 1 0.81 0 3 35.39 -7.49 -3.90 0.20 35.43 -7.47 -3.65 0.20 1 0.81 0 3 35.43 -7.47 -3.65 0.20 35.47 -7.43 -3.39 0.20 1 0.81 0 3 35.47 -7.43 -3.39 0.20 35.50 -7.39 -3.14 0.20 1 0.81 0 3 35.50 -7.39 -3.14 0.20 35.52 -7.33 -2.89 0.20 1 0.81 0 3 35.52 -7.33 -2.89 0.20 35.53 -7.26 -2.66 0.20 1 0.81 0 3 35.53 -7.26 -2.66 0.20 35.54 -7.18 -2.44 0.20 1 0.81 0 3 35.54 -7.18 -2.44 0.20 35.53 -7.10 -2.24 0.20 1 0.81 0 3 35.53 -7.10 -2.24 0.20 35.51 -7.01 -2.06 0.20 1 0.81 0 3 35.51 -7.01 -2.06 0.20 35.48 -6.91 -1.91 0.20 1 0.81 0 3 35.48 -6.91 -1.91 0.20 35.44 -6.79 -1.76 0.20 1 0.81 0 3 35.44 -6.79 -1.76 0.20 35.39 -6.66 -1.62 0.20 1 0.81 0 3 35.39 -6.66 -1.62 0.20 35.33 -6.52 -1.50 0.20 1 0.81 0 3 35.33 -6.52 -1.50 0.20 35.26 -6.38 -1.40 0.20 1 0.81 0 3 35.26 -6.38 -1.40 0.20 35.18 -6.22 -1.31 0.20 1 0.81 0 3 35.18 -6.22 -1.31 0.20 35.10 -6.07 -1.24 0.20 1 0.81 0 3 35.10 -6.07 -1.24 0.20 35.01 -5.92 -1.18 0.20 1 0.81 0 3 35.01 -5.92 -1.18 0.20 34.92 -5.77 -1.15 0.20 1 0.81 0 3 34.92 -5.77 -1.15 0.20 34.82 -5.63 -1.14 0.20 1 0.81 0 3 34.82 -5.63 -1.14 0.20 34.72 -5.50 -1.16 0.20 1 0.81 0 3 34.72 -5.50 -1.16 0.20 34.61 -5.37 -1.20 0.20 1 0.81 0 3 34.61 -5.37 -1.20 0.20 34.49 -5.23 -1.27 0.20 1 0.81 0 3 34.49 -5.23 -1.27 0.20 34.37 -5.10 -1.36 0.20 1 0.81 0 3 34.37 -5.10 -1.36 0.20 34.24 -4.97 -1.46 0.20 1 0.81 0 3 34.24 -4.97 -1.46 0.20 34.11 -4.84 -1.58 0.20 1 0.81 0 3 34.11 -4.84 -1.58 0.20 33.97 -4.71 -1.71 0.20 1 0.81 0 3 33.97 -4.71 -1.71 0.20 33.83 -4.58 -1.84 0.20 1 0.81 0 3 33.83 -4.58 -1.84 0.20 33.69 -4.46 -1.98 0.20 1 0.81 0 3 33.69 -4.46 -1.98 0.20 33.54 -4.34 -2.12 0.20 1 0.81 0 3 33.54 -4.34 -2.12 0.20 33.39 -4.22 -2.26 0.20 1 0.81 0 3 33.39 -4.22 -2.26 0.20 33.24 -4.11 -2.42 0.20 1 0.81 0 3 33.24 -4.11 -2.42 0.20 33.08 -4.00 -2.59 0.20 1 0.81 0 3 33.08 -4.00 -2.59 0.20 32.92 -3.90 -2.77 0.20 1 0.81 0 3 32.92 -3.90 -2.77 0.20 32.75 -3.80 -2.96 0.20 1 0.81 0 3 32.75 -3.80 -2.96 0.20 32.59 -3.69 -3.15 0.20 1 0.81 0 3 32.59 -3.69 -3.15 0.20 32.42 -3.58 -3.34 0.20 1 0.81 0 3 32.42 -3.58 -3.34 0.20 32.25 -3.47 -3.53 0.20 1 0.81 0 3 32.25 -3.47 -3.53 0.20 32.08 -3.35 -3.71 0.20 1 0.81 0 3 32.08 -3.35 -3.71 0.20 31.91 -3.21 -3.89 0.20 1 0.81 0 3 31.91 -3.21 -3.89 0.20 31.74 -3.07 -4.05 0.20 1 0.81 0 3 31.74 -3.07 -4.05 0.20 31.56 -2.92 -4.20 0.20 1 0.81 0 3 31.56 -2.92 -4.20 0.20 31.38 -2.77 -4.34 0.20 1 0.81 0 3 31.38 -2.77 -4.34 0.20 31.19 -2.61 -4.48 0.20 1 0.81 0 3 31.19 -2.61 -4.48 0.20 31.01 -2.44 -4.63 0.20 1 0.81 0 3 31.01 -2.44 -4.63 0.20 30.83 -2.27 -4.78 0.20 1 0.81 0 3 30.83 -2.27 -4.78 0.20 30.65 -2.10 -4.94 0.20 1 0.81 0 3 30.65 -2.10 -4.94 0.20 30.49 -1.92 -5.11 0.20 1 0.81 0 3 30.49 -1.92 -5.11 0.20 30.34 -1.74 -5.31 0.20 1 0.81 0 3 30.34 -1.74 -5.31 0.20 30.20 -1.56 -5.54 0.20 1 0.81 0 1 30.71 -2.20 -6.19 29.27 -1.24 -5.18 30.69 -1.93 -6.46 1 0.81 0 7 -0.695 -0.516 -0.501 -0.695 -0.516 -0.501 -0.701 -0.505 -0.503 1 29.27 -1.24 -5.18 30.69 -1.93 -6.46 29.27 -0.98 -5.44 1 0.81 0 7 -0.695 -0.516 -0.501 -0.701 -0.505 -0.503 -0.701 -0.505 -0.503 1 30.69 -1.93 -6.46 29.27 -0.98 -5.44 30.67 -1.58 -6.83 1 0.81 0 7 -0.701 -0.505 -0.503 -0.701 -0.505 -0.503 -0.707 -0.493 -0.506 1 29.27 -0.98 -5.44 30.67 -1.58 -6.83 29.25 -0.61 -5.80 1 0.81 0 7 -0.701 -0.505 -0.503 -0.707 -0.493 -0.506 -0.707 -0.493 -0.506 1 30.67 -1.58 -6.83 29.25 -0.61 -5.80 30.64 -1.15 -7.27 1 0.81 0 7 -0.707 -0.493 -0.506 -0.707 -0.493 -0.506 -0.713 -0.481 -0.508 1 29.25 -0.61 -5.80 30.64 -1.15 -7.27 29.24 -0.18 -6.23 1 0.81 0 7 -0.707 -0.493 -0.506 -0.713 -0.481 -0.508 -0.713 -0.481 -0.508 1 30.64 -1.15 -7.27 29.24 -0.18 -6.23 30.62 -0.69 -7.74 1 0.81 0 7 -0.713 -0.481 -0.508 -0.713 -0.481 -0.508 -0.719 -0.470 -0.511 1 29.24 -0.18 -6.23 30.62 -0.69 -7.74 29.23 0.28 -6.68 1 0.81 0 7 -0.713 -0.481 -0.508 -0.719 -0.470 -0.511 -0.719 -0.470 -0.511 1 30.62 -0.69 -7.74 29.23 0.28 -6.68 30.60 -0.22 -8.20 1 0.81 0 7 -0.719 -0.470 -0.511 -0.719 -0.470 -0.511 -0.725 -0.458 -0.513 1 29.23 0.28 -6.68 30.60 -0.22 -8.20 29.22 0.76 -7.13 1 0.81 0 7 -0.719 -0.470 -0.511 -0.725 -0.458 -0.513 -0.725 -0.458 -0.513 1 30.60 -0.22 -8.20 29.22 0.76 -7.13 30.59 0.22 -8.62 1 0.81 0 7 -0.725 -0.458 -0.513 -0.725 -0.458 -0.513 -0.731 -0.446 -0.516 1 29.22 0.76 -7.13 30.59 0.22 -8.62 29.22 1.20 -7.53 1 0.81 0 7 -0.725 -0.458 -0.513 -0.731 -0.446 -0.516 -0.731 -0.446 -0.516 1 30.59 0.22 -8.62 29.22 1.20 -7.53 30.59 0.65 -8.99 1 0.81 0 7 -0.731 -0.446 -0.516 -0.731 -0.446 -0.516 -0.739 -0.426 -0.520 1 29.22 1.20 -7.53 30.59 0.65 -8.99 29.24 1.63 -7.89 1 0.81 0 7 -0.731 -0.446 -0.516 -0.739 -0.426 -0.520 -0.739 -0.426 -0.520 1 30.59 0.65 -8.99 29.24 1.63 -7.89 30.59 1.09 -9.36 1 0.81 0 7 -0.739 -0.426 -0.520 -0.739 -0.426 -0.520 -0.746 -0.405 -0.524 1 29.24 1.63 -7.89 30.59 1.09 -9.36 29.26 2.07 -8.23 1 0.81 0 7 -0.739 -0.426 -0.520 -0.746 -0.405 -0.524 -0.746 -0.405 -0.524 1 30.59 1.09 -9.36 29.26 2.07 -8.23 30.60 1.53 -9.72 1 0.81 0 7 -0.746 -0.405 -0.524 -0.746 -0.405 -0.524 -0.754 -0.385 -0.528 1 29.26 2.07 -8.23 30.60 1.53 -9.72 29.29 2.52 -8.57 1 0.81 0 7 -0.746 -0.405 -0.524 -0.754 -0.385 -0.528 -0.754 -0.385 -0.528 1 30.60 1.53 -9.72 29.29 2.52 -8.57 30.61 1.98 -10.07 1 0.81 0 7 -0.754 -0.385 -0.528 -0.754 -0.385 -0.528 -0.762 -0.365 -0.532 1 29.29 2.52 -8.57 30.61 1.98 -10.07 29.32 2.97 -8.90 1 0.81 0 7 -0.754 -0.385 -0.528 -0.762 -0.365 -0.532 -0.762 -0.365 -0.532 1 30.61 1.98 -10.07 29.32 2.97 -8.90 30.63 2.43 -10.42 1 0.81 0 7 -0.762 -0.365 -0.532 -0.762 -0.365 -0.532 -0.769 -0.344 -0.536 1 29.32 2.97 -8.90 30.63 2.43 -10.42 29.36 3.42 -9.23 1 0.81 0 7 -0.762 -0.365 -0.532 -0.769 -0.344 -0.536 -0.769 -0.344 -0.536 1 30.63 2.43 -10.42 29.36 3.42 -9.23 30.66 2.89 -10.76 1 0.81 0 7 -0.769 -0.344 -0.536 -0.769 -0.344 -0.536 -0.777 -0.324 -0.540 1 29.36 3.42 -9.23 30.66 2.89 -10.76 29.41 3.88 -9.55 1 0.81 0 7 -0.769 -0.344 -0.536 -0.777 -0.324 -0.540 -0.777 -0.324 -0.540 1 30.66 2.89 -10.76 29.41 3.88 -9.55 30.69 3.35 -11.09 1 0.81 0 7 -0.777 -0.324 -0.540 -0.777 -0.324 -0.540 -0.783 -0.305 -0.540 1 29.41 3.88 -9.55 30.69 3.35 -11.09 29.46 4.34 -9.87 1 0.81 0 7 -0.777 -0.324 -0.540 -0.783 -0.305 -0.540 -0.783 -0.305 -0.540 1 30.69 3.35 -11.09 29.46 4.34 -9.87 30.73 3.81 -11.42 1 0.81 0 7 -0.783 -0.305 -0.540 -0.783 -0.305 -0.540 -0.789 -0.286 -0.541 1 29.46 4.34 -9.87 30.73 3.81 -11.42 29.52 4.81 -10.18 1 0.81 0 7 -0.783 -0.305 -0.540 -0.789 -0.286 -0.541 -0.789 -0.286 -0.541 1 30.73 3.81 -11.42 29.52 4.81 -10.18 30.77 4.28 -11.74 1 0.81 0 7 -0.789 -0.286 -0.541 -0.789 -0.286 -0.541 -0.795 -0.267 -0.541 1 29.52 4.81 -10.18 30.77 4.28 -11.74 29.58 5.29 -10.49 1 0.81 0 7 -0.789 -0.286 -0.541 -0.795 -0.267 -0.541 -0.795 -0.267 -0.541 1 30.77 4.28 -11.74 29.58 5.29 -10.49 30.81 4.76 -12.06 1 0.81 0 7 -0.795 -0.267 -0.541 -0.795 -0.267 -0.541 -0.802 -0.248 -0.541 1 29.58 5.29 -10.49 30.81 4.76 -12.06 29.64 5.77 -10.79 1 0.81 0 7 -0.795 -0.267 -0.541 -0.802 -0.248 -0.541 -0.802 -0.248 -0.541 1 30.81 4.76 -12.06 29.64 5.77 -10.79 30.87 5.24 -12.38 1 0.81 0 7 -0.802 -0.248 -0.541 -0.802 -0.248 -0.541 -0.808 -0.229 -0.541 1 29.64 5.77 -10.79 30.87 5.24 -12.38 29.72 6.26 -11.10 1 0.81 0 7 -0.802 -0.248 -0.541 -0.808 -0.229 -0.541 -0.808 -0.229 -0.541 1 30.87 5.24 -12.38 29.72 6.26 -11.10 30.93 5.72 -12.69 1 0.81 0 7 -0.808 -0.229 -0.541 -0.808 -0.229 -0.541 -0.814 -0.210 -0.541 1 29.72 6.26 -11.10 30.93 5.72 -12.69 29.80 6.74 -11.39 1 0.81 0 7 -0.808 -0.229 -0.541 -0.814 -0.210 -0.541 -0.814 -0.210 -0.541 1 31.21 5.47 -13.02 29.52 7.00 -11.07 31.09 7.33 -13.43 1 0.81 0 7 -0.814 -0.210 -0.541 -0.814 -0.210 -0.541 -0.818 -0.186 -0.544 1 29.52 7.00 -11.07 31.09 7.33 -13.43 30.26 8.10 -12.45 1 0.81 0 7 -0.814 -0.210 -0.541 -0.818 -0.186 -0.544 -0.818 -0.186 -0.544 1 31.09 7.33 -13.43 30.26 8.10 -12.45 30.98 9.19 -13.84 1 0.81 0 1 31.13 -1.89 -5.89 29.69 -0.93 -4.88 31.11 -1.63 -6.16 1 0.81 0 7 0.695 0.516 0.501 0.695 0.516 0.501 0.701 0.505 0.503 1 29.69 -0.93 -4.88 31.11 -1.63 -6.16 29.69 -0.67 -5.14 1 0.81 0 7 0.695 0.516 0.501 0.701 0.505 0.503 0.701 0.505 0.503 1 31.11 -1.63 -6.16 29.69 -0.67 -5.14 31.09 -1.28 -6.53 1 0.81 0 7 0.701 0.505 0.503 0.701 0.505 0.503 0.707 0.493 0.506 1 29.69 -0.67 -5.14 31.09 -1.28 -6.53 29.68 -0.32 -5.50 1 0.81 0 7 0.701 0.505 0.503 0.707 0.493 0.506 0.707 0.493 0.506 1 31.09 -1.28 -6.53 29.68 -0.32 -5.50 31.07 -0.86 -6.97 1 0.81 0 7 0.707 0.493 0.506 0.707 0.493 0.506 0.713 0.481 0.508 1 29.68 -0.32 -5.50 31.07 -0.86 -6.97 29.67 0.11 -5.92 1 0.81 0 7 0.707 0.493 0.506 0.713 0.481 0.508 0.713 0.481 0.508 1 31.07 -0.86 -6.97 29.67 0.11 -5.92 31.05 -0.41 -7.44 1 0.81 0 7 0.713 0.481 0.508 0.713 0.481 0.508 0.719 0.470 0.511 1 29.67 0.11 -5.92 31.05 -0.41 -7.44 29.66 0.56 -6.37 1 0.81 0 7 0.713 0.481 0.508 0.719 0.470 0.511 0.719 0.470 0.511 1 31.05 -0.41 -7.44 29.66 0.56 -6.37 31.03 0.05 -7.89 1 0.81 0 7 0.719 0.470 0.511 0.719 0.470 0.511 0.725 0.458 0.513 1 29.66 0.56 -6.37 31.03 0.05 -7.89 29.66 1.03 -6.82 1 0.81 0 7 0.719 0.470 0.511 0.725 0.458 0.513 0.725 0.458 0.513 1 31.03 0.05 -7.89 29.66 1.03 -6.82 31.03 0.49 -8.31 1 0.81 0 7 0.725 0.458 0.513 0.725 0.458 0.513 0.731 0.446 0.516 1 29.66 1.03 -6.82 31.03 0.49 -8.31 29.66 1.47 -7.22 1 0.81 0 7 0.725 0.458 0.513 0.731 0.446 0.516 0.731 0.446 0.516 1 31.03 0.49 -8.31 29.66 1.47 -7.22 31.03 0.91 -8.68 1 0.81 0 7 0.731 0.446 0.516 0.731 0.446 0.516 0.739 0.426 0.520 1 29.66 1.47 -7.22 31.03 0.91 -8.68 29.68 1.89 -7.57 1 0.81 0 7 0.731 0.446 0.516 0.739 0.426 0.520 0.739 0.426 0.520 1 31.03 0.91 -8.68 29.68 1.89 -7.57 31.04 1.33 -9.05 1 0.81 0 7 0.739 0.426 0.520 0.739 0.426 0.520 0.746 0.405 0.524 1 29.68 1.89 -7.57 31.04 1.33 -9.05 29.71 2.32 -7.92 1 0.81 0 7 0.739 0.426 0.520 0.746 0.405 0.524 0.746 0.405 0.524 1 31.04 1.33 -9.05 29.71 2.32 -7.92 31.05 1.76 -9.40 1 0.81 0 7 0.746 0.405 0.524 0.746 0.405 0.524 0.754 0.385 0.528 1 29.71 2.32 -7.92 31.05 1.76 -9.40 29.74 2.75 -8.26 1 0.81 0 7 0.746 0.405 0.524 0.754 0.385 0.528 0.754 0.385 0.528 1 31.05 1.76 -9.40 29.74 2.75 -8.26 31.07 2.19 -9.75 1 0.81 0 7 0.754 0.385 0.528 0.754 0.385 0.528 0.762 0.365 0.532 1 29.74 2.75 -8.26 31.07 2.19 -9.75 29.78 3.18 -8.58 1 0.81 0 7 0.754 0.385 0.528 0.762 0.365 0.532 0.762 0.365 0.532 1 31.07 2.19 -9.75 29.78 3.18 -8.58 31.10 2.63 -10.09 1 0.81 0 7 0.762 0.365 0.532 0.762 0.365 0.532 0.769 0.344 0.536 1 29.78 3.18 -8.58 31.10 2.63 -10.09 29.83 3.63 -8.91 1 0.81 0 7 0.762 0.365 0.532 0.769 0.344 0.536 0.769 0.344 0.536 1 31.10 2.63 -10.09 29.83 3.63 -8.91 31.13 3.08 -10.43 1 0.81 0 7 0.769 0.344 0.536 0.769 0.344 0.536 0.777 0.324 0.540 1 29.83 3.63 -8.91 31.13 3.08 -10.43 29.88 4.07 -9.23 1 0.81 0 7 0.769 0.344 0.536 0.777 0.324 0.540 0.777 0.324 0.540 1 31.13 3.08 -10.43 29.88 4.07 -9.23 31.16 3.53 -10.77 1 0.81 0 7 0.777 0.324 0.540 0.777 0.324 0.540 0.783 0.305 0.540 1 29.88 4.07 -9.23 31.16 3.53 -10.77 29.93 4.53 -9.55 1 0.81 0 7 0.777 0.324 0.540 0.783 0.305 0.540 0.783 0.305 0.540 1 31.16 3.53 -10.77 29.93 4.53 -9.55 31.20 3.98 -11.10 1 0.81 0 7 0.783 0.305 0.540 0.783 0.305 0.540 0.789 0.286 0.541 1 29.93 4.53 -9.55 31.20 3.98 -11.10 29.99 4.99 -9.86 1 0.81 0 7 0.783 0.305 0.540 0.789 0.286 0.541 0.789 0.286 0.541 1 31.20 3.98 -11.10 29.99 4.99 -9.86 31.24 4.44 -11.42 1 0.81 0 7 0.789 0.286 0.541 0.789 0.286 0.541 0.795 0.267 0.541 1 29.99 4.99 -9.86 31.24 4.44 -11.42 30.05 5.45 -10.17 1 0.81 0 7 0.789 0.286 0.541 0.795 0.267 0.541 0.795 0.267 0.541 1 31.24 4.44 -11.42 30.05 5.45 -10.17 31.29 4.91 -11.74 1 0.81 0 7 0.795 0.267 0.541 0.795 0.267 0.541 0.802 0.248 0.541 1 30.05 5.45 -10.17 31.29 4.91 -11.74 30.13 5.92 -10.47 1 0.81 0 7 0.795 0.267 0.541 0.802 0.248 0.541 0.802 0.248 0.541 1 31.29 4.91 -11.74 30.13 5.92 -10.47 31.35 5.38 -12.06 1 0.81 0 7 0.802 0.248 0.541 0.802 0.248 0.541 0.808 0.229 0.541 1 30.13 5.92 -10.47 31.35 5.38 -12.06 30.20 6.39 -10.77 1 0.81 0 7 0.802 0.248 0.541 0.808 0.229 0.541 0.808 0.229 0.541 1 31.35 5.38 -12.06 30.20 6.39 -10.77 31.42 5.85 -12.37 1 0.81 0 7 0.808 0.229 0.541 0.808 0.229 0.541 0.814 0.210 0.541 1 30.20 6.39 -10.77 31.42 5.85 -12.37 30.29 6.87 -11.07 1 0.81 0 7 0.808 0.229 0.541 0.814 0.210 0.541 0.814 0.210 0.541 1 31.70 5.59 -12.70 30.01 7.12 -10.74 31.58 7.44 -13.11 1 0.81 0 7 0.814 0.210 0.541 0.814 0.210 0.541 0.818 0.186 0.544 1 30.01 7.12 -10.74 31.58 7.44 -13.11 30.75 8.21 -12.12 1 0.81 0 7 0.814 0.210 0.541 0.818 0.186 0.544 0.818 0.186 0.544 1 31.58 7.44 -13.11 30.75 8.21 -12.12 31.47 9.29 -13.51 1 0.81 0 1 31.13 -1.89 -5.89 30.71 -2.20 -6.19 31.11 -1.63 -6.16 0.36 0.2916 0 1 30.71 -2.20 -6.19 31.11 -1.63 -6.16 30.69 -1.93 -6.46 0.36 0.2916 0 1 31.11 -1.63 -6.16 30.69 -1.93 -6.46 31.09 -1.28 -6.53 0.36 0.2916 0 1 30.69 -1.93 -6.46 31.09 -1.28 -6.53 30.67 -1.58 -6.83 0.36 0.2916 0 1 31.09 -1.28 -6.53 30.67 -1.58 -6.83 31.07 -0.86 -6.97 0.36 0.2916 0 1 30.67 -1.58 -6.83 31.07 -0.86 -6.97 30.64 -1.15 -7.27 0.36 0.2916 0 1 31.07 -0.86 -6.97 30.64 -1.15 -7.27 31.05 -0.41 -7.44 0.36 0.2916 0 1 30.64 -1.15 -7.27 31.05 -0.41 -7.44 30.62 -0.69 -7.74 0.36 0.2916 0 1 31.05 -0.41 -7.44 30.62 -0.69 -7.74 31.03 0.05 -7.89 0.36 0.2916 0 1 30.62 -0.69 -7.74 31.03 0.05 -7.89 30.60 -0.22 -8.20 0.36 0.2916 0 1 31.03 0.05 -7.89 30.60 -0.22 -8.20 31.03 0.49 -8.31 0.36 0.2916 0 1 30.60 -0.22 -8.20 31.03 0.49 -8.31 30.59 0.22 -8.62 0.36 0.2916 0 1 31.03 0.49 -8.31 30.59 0.22 -8.62 31.03 0.91 -8.68 0.36 0.2916 0 1 30.59 0.22 -8.62 31.03 0.91 -8.68 30.59 0.65 -8.99 0.36 0.2916 0 1 31.03 0.91 -8.68 30.59 0.65 -8.99 31.04 1.33 -9.05 0.36 0.2916 0 1 30.59 0.65 -8.99 31.04 1.33 -9.05 30.59 1.09 -9.36 0.36 0.2916 0 1 31.04 1.33 -9.05 30.59 1.09 -9.36 31.05 1.76 -9.40 0.36 0.2916 0 1 30.59 1.09 -9.36 31.05 1.76 -9.40 30.60 1.53 -9.72 0.36 0.2916 0 1 31.05 1.76 -9.40 30.60 1.53 -9.72 31.07 2.19 -9.75 0.36 0.2916 0 1 30.60 1.53 -9.72 31.07 2.19 -9.75 30.61 1.98 -10.07 0.36 0.2916 0 1 31.07 2.19 -9.75 30.61 1.98 -10.07 31.10 2.63 -10.09 0.36 0.2916 0 1 30.61 1.98 -10.07 31.10 2.63 -10.09 30.63 2.43 -10.42 0.36 0.2916 0 1 31.10 2.63 -10.09 30.63 2.43 -10.42 31.13 3.08 -10.43 0.36 0.2916 0 1 30.63 2.43 -10.42 31.13 3.08 -10.43 30.66 2.89 -10.76 0.36 0.2916 0 1 31.13 3.08 -10.43 30.66 2.89 -10.76 31.16 3.53 -10.77 0.36 0.2916 0 1 30.66 2.89 -10.76 31.16 3.53 -10.77 30.69 3.35 -11.09 0.36 0.2916 0 1 31.16 3.53 -10.77 30.69 3.35 -11.09 31.20 3.98 -11.10 0.36 0.2916 0 1 30.69 3.35 -11.09 31.20 3.98 -11.10 30.73 3.81 -11.42 0.36 0.2916 0 1 31.20 3.98 -11.10 30.73 3.81 -11.42 31.24 4.44 -11.42 0.36 0.2916 0 1 30.73 3.81 -11.42 31.24 4.44 -11.42 30.77 4.28 -11.74 0.36 0.2916 0 1 31.24 4.44 -11.42 30.77 4.28 -11.74 31.29 4.91 -11.74 0.36 0.2916 0 1 30.77 4.28 -11.74 31.29 4.91 -11.74 30.81 4.76 -12.06 0.36 0.2916 0 1 31.29 4.91 -11.74 30.81 4.76 -12.06 31.35 5.38 -12.06 0.36 0.2916 0 1 30.81 4.76 -12.06 31.35 5.38 -12.06 30.87 5.24 -12.38 0.36 0.2916 0 1 31.35 5.38 -12.06 30.87 5.24 -12.38 31.42 5.85 -12.37 0.36 0.2916 0 1 30.87 5.24 -12.38 31.42 5.85 -12.37 30.93 5.72 -12.69 0.36 0.2916 0 1 29.69 -0.93 -4.88 29.27 -1.24 -5.18 29.69 -0.67 -5.14 0.36 0.2916 0 1 29.27 -1.24 -5.18 29.69 -0.67 -5.14 29.27 -0.98 -5.44 0.36 0.2916 0 1 29.69 -0.67 -5.14 29.27 -0.98 -5.44 29.68 -0.32 -5.50 0.36 0.2916 0 1 29.27 -0.98 -5.44 29.68 -0.32 -5.50 29.25 -0.61 -5.80 0.36 0.2916 0 1 29.68 -0.32 -5.50 29.25 -0.61 -5.80 29.67 0.11 -5.92 0.36 0.2916 0 1 29.25 -0.61 -5.80 29.67 0.11 -5.92 29.24 -0.18 -6.23 0.36 0.2916 0 1 29.67 0.11 -5.92 29.24 -0.18 -6.23 29.66 0.56 -6.37 0.36 0.2916 0 1 29.24 -0.18 -6.23 29.66 0.56 -6.37 29.23 0.28 -6.68 0.36 0.2916 0 1 29.66 0.56 -6.37 29.23 0.28 -6.68 29.66 1.03 -6.82 0.36 0.2916 0 1 29.23 0.28 -6.68 29.66 1.03 -6.82 29.22 0.76 -7.13 0.36 0.2916 0 1 29.66 1.03 -6.82 29.22 0.76 -7.13 29.66 1.47 -7.22 0.36 0.2916 0 1 29.22 0.76 -7.13 29.66 1.47 -7.22 29.22 1.20 -7.53 0.36 0.2916 0 1 29.66 1.47 -7.22 29.22 1.20 -7.53 29.68 1.89 -7.57 0.36 0.2916 0 1 29.22 1.20 -7.53 29.68 1.89 -7.57 29.24 1.63 -7.89 0.36 0.2916 0 1 29.68 1.89 -7.57 29.24 1.63 -7.89 29.71 2.32 -7.92 0.36 0.2916 0 1 29.24 1.63 -7.89 29.71 2.32 -7.92 29.26 2.07 -8.23 0.36 0.2916 0 1 29.71 2.32 -7.92 29.26 2.07 -8.23 29.74 2.75 -8.26 0.36 0.2916 0 1 29.26 2.07 -8.23 29.74 2.75 -8.26 29.29 2.52 -8.57 0.36 0.2916 0 1 29.74 2.75 -8.26 29.29 2.52 -8.57 29.78 3.18 -8.58 0.36 0.2916 0 1 29.29 2.52 -8.57 29.78 3.18 -8.58 29.32 2.97 -8.90 0.36 0.2916 0 1 29.78 3.18 -8.58 29.32 2.97 -8.90 29.83 3.63 -8.91 0.36 0.2916 0 1 29.32 2.97 -8.90 29.83 3.63 -8.91 29.36 3.42 -9.23 0.36 0.2916 0 1 29.83 3.63 -8.91 29.36 3.42 -9.23 29.88 4.07 -9.23 0.36 0.2916 0 1 29.36 3.42 -9.23 29.88 4.07 -9.23 29.41 3.88 -9.55 0.36 0.2916 0 1 29.88 4.07 -9.23 29.41 3.88 -9.55 29.93 4.53 -9.55 0.36 0.2916 0 1 29.41 3.88 -9.55 29.93 4.53 -9.55 29.46 4.34 -9.87 0.36 0.2916 0 1 29.93 4.53 -9.55 29.46 4.34 -9.87 29.99 4.99 -9.86 0.36 0.2916 0 1 29.46 4.34 -9.87 29.99 4.99 -9.86 29.52 4.81 -10.18 0.36 0.2916 0 1 29.99 4.99 -9.86 29.52 4.81 -10.18 30.05 5.45 -10.17 0.36 0.2916 0 1 29.52 4.81 -10.18 30.05 5.45 -10.17 29.58 5.29 -10.49 0.36 0.2916 0 1 30.05 5.45 -10.17 29.58 5.29 -10.49 30.13 5.92 -10.47 0.36 0.2916 0 1 29.58 5.29 -10.49 30.13 5.92 -10.47 29.64 5.77 -10.79 0.36 0.2916 0 1 30.13 5.92 -10.47 29.64 5.77 -10.79 30.20 6.39 -10.77 0.36 0.2916 0 1 29.64 5.77 -10.79 30.20 6.39 -10.77 29.72 6.26 -11.10 0.36 0.2916 0 1 30.20 6.39 -10.77 29.72 6.26 -11.10 30.29 6.87 -11.07 0.36 0.2916 0 1 29.72 6.26 -11.10 30.29 6.87 -11.07 29.80 6.74 -11.39 0.36 0.2916 0 1 31.21 5.47 -13.02 31.70 5.59 -12.70 30.93 5.72 -12.69 0.36 0.2916 0 1 30.93 5.72 -12.69 31.70 5.59 -12.70 31.42 5.85 -12.37 0.36 0.2916 0 1 30.01 7.12 -10.74 29.52 7.00 -11.07 30.29 6.87 -11.07 0.36 0.2916 0 1 30.29 6.87 -11.07 29.52 7.00 -11.07 29.80 6.74 -11.39 0.36 0.2916 0 1 30.71 -2.20 -6.19 31.13 -1.89 -5.89 29.69 -0.93 -4.88 0.36 0.2916 0 1 29.69 -0.93 -4.88 29.27 -1.24 -5.18 30.71 -2.20 -6.19 0.36 0.2916 0 1 31.70 5.59 -12.70 31.21 5.47 -13.02 31.58 7.44 -13.11 0.36 0.2916 0 1 31.21 5.47 -13.02 31.58 7.44 -13.11 31.09 7.33 -13.43 0.36 0.2916 0 1 31.58 7.44 -13.11 31.09 7.33 -13.43 31.47 9.29 -13.51 0.36 0.2916 0 1 31.09 7.33 -13.43 31.47 9.29 -13.51 30.98 9.19 -13.84 0.36 0.2916 0 1 30.01 7.12 -10.74 29.52 7.00 -11.07 30.75 8.21 -12.12 0.36 0.2916 0 1 29.52 7.00 -11.07 30.75 8.21 -12.12 30.26 8.10 -12.45 0.36 0.2916 0 1 30.75 8.21 -12.12 30.26 8.10 -12.45 31.47 9.29 -13.51 0.36 0.2916 0 1 30.26 8.10 -12.45 31.47 9.29 -13.51 30.98 9.19 -13.84 0.36 0.2916 0 3 31.23 9.24 -13.67 0.20 31.26 9.53 -13.86 0.20 1 0.81 0 3 31.26 9.53 -13.86 0.20 31.27 9.80 -14.06 0.20 1 0.81 0 3 31.27 9.80 -14.06 0.20 31.24 10.07 -14.28 0.20 1 0.81 0 3 31.24 10.07 -14.28 0.20 31.20 10.33 -14.51 0.20 1 0.81 0 3 31.20 10.33 -14.51 0.20 31.14 10.59 -14.74 0.20 1 0.81 0 3 31.14 10.59 -14.74 0.20 31.08 10.84 -14.97 0.20 1 0.81 0 3 31.08 10.84 -14.97 0.20 31.01 11.09 -15.19 0.20 1 0.81 0 3 31.01 11.09 -15.19 0.20 30.96 11.34 -15.40 0.20 1 0.81 0 3 30.96 11.34 -15.40 0.20 30.93 11.58 -15.59 0.20 1 0.81 0 3 30.93 11.58 -15.59 0.20 30.91 11.82 -15.76 0.20 1 0.81 0 3 30.91 11.82 -15.76 0.20 30.92 12.07 -15.91 0.20 1 0.81 0 3 30.92 12.07 -15.91 0.20 30.94 12.32 -16.05 0.20 1 0.81 0 3 30.94 12.32 -16.05 0.20 30.96 12.57 -16.19 0.20 1 0.81 0 3 30.96 12.57 -16.19 0.20 30.99 12.81 -16.31 0.20 1 0.81 0 3 30.99 12.81 -16.31 0.20 31.03 13.06 -16.42 0.20 1 0.81 0 3 31.03 13.06 -16.42 0.20 31.07 13.29 -16.52 0.20 1 0.81 0 3 31.07 13.29 -16.52 0.20 31.12 13.52 -16.60 0.20 1 0.81 0 3 31.12 13.52 -16.60 0.20 31.17 13.74 -16.66 0.20 1 0.81 0 3 31.17 13.74 -16.66 0.20 31.22 13.94 -16.70 0.20 1 0.81 0 3 31.22 13.94 -16.70 0.20 31.28 14.13 -16.71 0.20 1 0.81 0 3 31.28 14.13 -16.71 0.20 31.34 14.30 -16.71 0.20 1 0.81 0 3 31.34 14.30 -16.71 0.20 31.41 14.47 -16.68 0.20 1 0.81 0 3 31.41 14.47 -16.68 0.20 31.49 14.63 -16.63 0.20 1 0.81 0 3 31.49 14.63 -16.63 0.20 31.57 14.78 -16.56 0.20 1 0.81 0 3 31.57 14.78 -16.56 0.20 31.66 14.93 -16.48 0.20 1 0.81 0 3 31.66 14.93 -16.48 0.20 31.74 15.05 -16.38 0.20 1 0.81 0 3 31.74 15.05 -16.38 0.20 31.83 15.16 -16.27 0.20 1 0.81 0 3 31.83 15.16 -16.27 0.20 31.90 15.26 -16.14 0.20 1 0.81 0 3 31.90 15.26 -16.14 0.20 31.98 15.34 -16.01 0.20 1 0.81 0 3 31.98 15.34 -16.01 0.20 32.04 15.39 -15.86 0.20 1 0.81 0 3 32.04 15.39 -15.86 0.20 32.09 15.43 -15.71 0.20 1 0.81 0 3 32.09 15.43 -15.71 0.20 32.15 15.45 -15.53 0.20 1 0.81 0 3 32.15 15.45 -15.53 0.20 32.20 15.45 -15.33 0.20 1 0.81 0 3 32.20 15.45 -15.33 0.20 32.25 15.44 -15.13 0.20 1 0.81 0 3 32.25 15.44 -15.13 0.20 32.29 15.41 -14.91 0.20 1 0.81 0 3 32.29 15.41 -14.91 0.20 32.33 15.36 -14.68 0.20 1 0.81 0 3 32.33 15.36 -14.68 0.20 32.36 15.30 -14.45 0.20 1 0.81 0 3 32.36 15.30 -14.45 0.20 32.39 15.23 -14.22 0.20 1 0.81 0 3 32.39 15.23 -14.22 0.20 32.41 15.14 -14.00 0.20 1 0.81 0 3 32.41 15.14 -14.00 0.20 32.42 15.04 -13.78 0.20 1 0.81 0 3 32.42 15.04 -13.78 0.20 32.42 14.92 -13.56 0.20 1 0.81 0 3 32.42 14.92 -13.56 0.20 32.42 14.79 -13.34 0.20 1 0.81 0 3 32.42 14.79 -13.34 0.20 32.40 14.63 -13.12 0.20 1 0.81 0 3 32.40 14.63 -13.12 0.20 32.38 14.46 -12.89 0.20 1 0.81 0 3 32.38 14.46 -12.89 0.20 32.36 14.28 -12.66 0.20 1 0.81 0 3 32.36 14.28 -12.66 0.20 32.33 14.09 -12.44 0.20 1 0.81 0 3 32.33 14.09 -12.44 0.20 32.30 13.89 -12.21 0.20 1 0.81 0 3 32.30 13.89 -12.21 0.20 32.27 13.68 -11.99 0.20 1 0.81 0 3 32.27 13.68 -11.99 0.20 32.24 13.46 -11.78 0.20 1 0.81 0 3 32.24 13.46 -11.78 0.20 32.21 13.24 -11.57 0.20 1 0.81 0 3 32.21 13.24 -11.57 0.20 32.19 13.00 -11.37 0.20 1 0.81 0 3 32.19 13.00 -11.37 0.20 32.18 12.75 -11.17 0.20 1 0.81 0 3 32.18 12.75 -11.17 0.20 32.18 12.48 -10.98 0.20 1 0.81 0 3 32.18 12.48 -10.98 0.20 32.18 12.20 -10.79 0.20 1 0.81 0 3 32.18 12.20 -10.79 0.20 32.18 11.92 -10.61 0.20 1 0.81 0 3 32.18 11.92 -10.61 0.20 32.16 11.63 -10.42 0.20 1 0.81 0 3 32.16 11.63 -10.42 0.20 32.13 11.36 -10.24 0.20 1 0.81 0 3 32.13 11.36 -10.24 0.20 32.07 11.09 -10.05 0.20 1 0.81 0 3 32.07 11.09 -10.05 0.20 31.97 10.83 -9.86 0.20 1 0.81 0 3 31.97 10.83 -9.86 0.20 31.85 10.60 -9.66 0.20 1 0.81 0 1 32.03 11.14 -8.79 31.21 10.45 -10.48 31.81 10.90 -8.58 1 0.81 0 7 -0.745 0.661 0.091 -0.745 0.661 0.091 -0.756 0.648 0.075 1 31.21 10.45 -10.48 31.81 10.90 -8.58 31.03 10.18 -10.28 1 0.81 0 7 -0.745 0.661 0.091 -0.756 0.648 0.075 -0.756 0.648 0.075 1 31.81 10.90 -8.58 31.03 10.18 -10.28 31.50 10.55 -8.29 1 0.81 0 7 -0.756 0.648 0.075 -0.756 0.648 0.075 -0.768 0.635 0.059 1 31.03 10.18 -10.28 31.50 10.55 -8.29 30.76 9.82 -10.00 1 0.81 0 7 -0.756 0.648 0.075 -0.768 0.635 0.059 -0.768 0.635 0.059 1 31.50 10.55 -8.29 30.76 9.82 -10.00 31.14 10.15 -7.95 1 0.81 0 7 -0.768 0.635 0.059 -0.768 0.635 0.059 -0.779 0.622 0.042 1 30.76 9.82 -10.00 31.14 10.15 -7.95 30.44 9.39 -9.67 1 0.81 0 7 -0.768 0.635 0.059 -0.779 0.622 0.042 -0.779 0.622 0.042 1 31.14 10.15 -7.95 30.44 9.39 -9.67 30.75 9.70 -7.59 1 0.81 0 7 -0.779 0.622 0.042 -0.779 0.622 0.042 -0.790 0.609 0.026 1 30.44 9.39 -9.67 30.75 9.70 -7.59 30.10 8.93 -9.31 1 0.81 0 7 -0.779 0.622 0.042 -0.790 0.609 0.026 -0.790 0.609 0.026 1 30.75 9.70 -7.59 30.10 8.93 -9.31 30.37 9.25 -7.23 1 0.81 0 7 -0.790 0.609 0.026 -0.790 0.609 0.026 -0.802 0.595 0.010 1 30.10 8.93 -9.31 30.37 9.25 -7.23 29.77 8.46 -8.97 1 0.81 0 7 -0.790 0.609 0.026 -0.802 0.595 0.010 -0.802 0.595 0.010 1 30.37 9.25 -7.23 29.77 8.46 -8.97 30.03 8.82 -6.92 1 0.81 0 7 -0.802 0.595 0.010 -0.802 0.595 0.010 -0.813 0.582 -0.006 1 29.77 8.46 -8.97 30.03 8.82 -6.92 29.46 8.02 -8.66 1 0.81 0 7 -0.802 0.595 0.010 -0.813 0.582 -0.006 -0.813 0.582 -0.006 1 30.03 8.82 -6.92 29.46 8.02 -8.66 29.71 8.40 -6.63 1 0.81 0 7 -0.813 0.582 -0.006 -0.813 0.582 -0.006 -0.819 0.571 -0.025 1 29.46 8.02 -8.66 29.71 8.40 -6.63 29.19 7.59 -8.39 1 0.81 0 7 -0.813 0.582 -0.006 -0.819 0.571 -0.025 -0.819 0.571 -0.025 1 29.71 8.40 -6.63 29.19 7.59 -8.39 29.39 7.97 -6.36 1 0.81 0 7 -0.819 0.571 -0.025 -0.819 0.571 -0.025 -0.825 0.560 -0.043 1 29.19 7.59 -8.39 29.39 7.97 -6.36 28.94 7.16 -8.13 1 0.81 0 7 -0.819 0.571 -0.025 -0.825 0.560 -0.043 -0.825 0.560 -0.043 1 29.39 7.97 -6.36 28.94 7.16 -8.13 29.08 7.53 -6.09 1 0.81 0 7 -0.825 0.560 -0.043 -0.825 0.560 -0.043 -0.831 0.548 -0.062 1 28.94 7.16 -8.13 29.08 7.53 -6.09 28.68 6.72 -7.87 1 0.81 0 7 -0.825 0.560 -0.043 -0.831 0.548 -0.062 -0.831 0.548 -0.062 1 29.08 7.53 -6.09 28.68 6.72 -7.87 28.77 7.09 -5.83 1 0.81 0 7 -0.831 0.548 -0.062 -0.831 0.548 -0.062 -0.837 0.537 -0.080 1 28.68 6.72 -7.87 28.77 7.09 -5.83 28.43 6.28 -7.63 1 0.81 0 7 -0.831 0.548 -0.062 -0.837 0.537 -0.080 -0.837 0.537 -0.080 1 28.77 7.09 -5.83 28.43 6.28 -7.63 28.46 6.65 -5.59 1 0.81 0 7 -0.837 0.537 -0.080 -0.837 0.537 -0.080 -0.844 0.525 -0.099 1 28.43 6.28 -7.63 28.46 6.65 -5.59 28.17 5.84 -7.39 1 0.81 0 7 -0.837 0.537 -0.080 -0.844 0.525 -0.099 -0.844 0.525 -0.099 1 28.46 6.65 -5.59 28.17 5.84 -7.39 28.14 6.20 -5.35 1 0.81 0 7 -0.844 0.525 -0.099 -0.844 0.525 -0.099 -0.850 0.514 -0.117 1 28.17 5.84 -7.39 28.14 6.20 -5.35 27.90 5.39 -7.16 1 0.81 0 7 -0.844 0.525 -0.099 -0.850 0.514 -0.117 -0.850 0.514 -0.117 1 28.20 6.40 -4.89 27.84 5.19 -7.61 27.11 4.75 -4.95 1 0.81 0 7 -0.850 0.514 -0.117 -0.850 0.514 -0.117 -0.849 0.495 -0.184 1 27.84 5.19 -7.61 27.11 4.75 -4.95 27.04 4.14 -6.32 1 0.81 0 7 -0.850 0.514 -0.117 -0.849 0.495 -0.184 -0.849 0.495 -0.184 1 27.11 4.75 -4.95 27.04 4.14 -6.32 26.14 3.09 -5.02 1 0.81 0 1 32.48 10.75 -8.84 31.66 10.05 -10.53 32.26 10.51 -8.63 1 0.81 0 7 0.745 -0.661 -0.091 0.745 -0.661 -0.091 0.756 -0.648 -0.075 1 31.66 10.05 -10.53 32.26 10.51 -8.63 31.48 9.79 -10.32 1 0.81 0 7 0.745 -0.661 -0.091 0.756 -0.648 -0.075 0.756 -0.648 -0.075 1 32.26 10.51 -8.63 31.48 9.79 -10.32 31.96 10.17 -8.33 1 0.81 0 7 0.756 -0.648 -0.075 0.756 -0.648 -0.075 0.768 -0.635 -0.059 1 31.48 9.79 -10.32 31.96 10.17 -8.33 31.22 9.44 -10.03 1 0.81 0 7 0.756 -0.648 -0.075 0.768 -0.635 -0.059 0.768 -0.635 -0.059 1 31.96 10.17 -8.33 31.22 9.44 -10.03 31.61 9.77 -7.98 1 0.81 0 7 0.768 -0.635 -0.059 0.768 -0.635 -0.059 0.779 -0.622 -0.042 1 31.22 9.44 -10.03 31.61 9.77 -7.98 30.91 9.02 -9.69 1 0.81 0 7 0.768 -0.635 -0.059 0.779 -0.622 -0.042 0.779 -0.622 -0.042 1 31.61 9.77 -7.98 30.91 9.02 -9.69 31.23 9.34 -7.60 1 0.81 0 7 0.779 -0.622 -0.042 0.779 -0.622 -0.042 0.790 -0.609 -0.026 1 30.91 9.02 -9.69 31.23 9.34 -7.60 30.58 8.57 -9.33 1 0.81 0 7 0.779 -0.622 -0.042 0.790 -0.609 -0.026 0.790 -0.609 -0.026 1 31.23 9.34 -7.60 30.58 8.57 -9.33 30.86 8.89 -7.24 1 0.81 0 7 0.790 -0.609 -0.026 0.790 -0.609 -0.026 0.802 -0.595 -0.010 1 30.58 8.57 -9.33 30.86 8.89 -7.24 30.25 8.11 -8.97 1 0.81 0 7 0.790 -0.609 -0.026 0.802 -0.595 -0.010 0.802 -0.595 -0.010 1 30.86 8.89 -7.24 30.25 8.11 -8.97 30.51 8.47 -6.91 1 0.81 0 7 0.802 -0.595 -0.010 0.802 -0.595 -0.010 0.813 -0.582 0.006 1 30.25 8.11 -8.97 30.51 8.47 -6.91 29.95 7.67 -8.66 1 0.81 0 7 0.802 -0.595 -0.010 0.813 -0.582 0.006 0.813 -0.582 0.006 1 30.51 8.47 -6.91 29.95 7.67 -8.66 30.20 8.06 -6.62 1 0.81 0 7 0.813 -0.582 0.006 0.813 -0.582 0.006 0.819 -0.571 0.025 1 29.95 7.67 -8.66 30.20 8.06 -6.62 29.69 7.25 -8.38 1 0.81 0 7 0.813 -0.582 0.006 0.819 -0.571 0.025 0.819 -0.571 0.025 1 30.20 8.06 -6.62 29.69 7.25 -8.38 29.89 7.64 -6.33 1 0.81 0 7 0.819 -0.571 0.025 0.819 -0.571 0.025 0.825 -0.560 0.043 1 29.69 7.25 -8.38 29.89 7.64 -6.33 29.43 6.83 -8.10 1 0.81 0 7 0.819 -0.571 0.025 0.825 -0.560 0.043 0.825 -0.560 0.043 1 29.89 7.64 -6.33 29.43 6.83 -8.10 29.58 7.21 -6.05 1 0.81 0 7 0.825 -0.560 0.043 0.825 -0.560 0.043 0.831 -0.548 0.062 1 29.43 6.83 -8.10 29.58 7.21 -6.05 29.18 6.39 -7.84 1 0.81 0 7 0.825 -0.560 0.043 0.831 -0.548 0.062 0.831 -0.548 0.062 1 29.58 7.21 -6.05 29.18 6.39 -7.84 29.28 6.77 -5.79 1 0.81 0 7 0.831 -0.548 0.062 0.831 -0.548 0.062 0.837 -0.537 0.080 1 29.18 6.39 -7.84 29.28 6.77 -5.79 28.93 5.96 -7.58 1 0.81 0 7 0.831 -0.548 0.062 0.837 -0.537 0.080 0.837 -0.537 0.080 1 29.28 6.77 -5.79 28.93 5.96 -7.58 28.97 6.33 -5.53 1 0.81 0 7 0.837 -0.537 0.080 0.837 -0.537 0.080 0.844 -0.525 0.099 1 28.93 5.96 -7.58 28.97 6.33 -5.53 28.67 5.52 -7.33 1 0.81 0 7 0.837 -0.537 0.080 0.844 -0.525 0.099 0.844 -0.525 0.099 1 28.97 6.33 -5.53 28.67 5.52 -7.33 28.65 5.89 -5.27 1 0.81 0 7 0.844 -0.525 0.099 0.844 -0.525 0.099 0.850 -0.514 0.117 1 28.67 5.52 -7.33 28.65 5.89 -5.27 28.41 5.08 -7.09 1 0.81 0 7 0.844 -0.525 0.099 0.850 -0.514 0.117 0.850 -0.514 0.117 1 28.71 6.10 -4.82 28.35 4.88 -7.54 27.62 4.46 -4.84 1 0.81 0 7 0.850 -0.514 0.117 0.850 -0.514 0.117 0.849 -0.495 0.184 1 28.35 4.88 -7.54 27.62 4.46 -4.84 27.55 3.84 -6.21 1 0.81 0 7 0.850 -0.514 0.117 0.849 -0.495 0.184 0.849 -0.495 0.184 1 27.62 4.46 -4.84 27.55 3.84 -6.21 26.65 2.81 -4.87 1 0.81 0 1 32.48 10.75 -8.84 32.03 11.14 -8.79 32.26 10.51 -8.63 0.36 0.2916 0 1 32.03 11.14 -8.79 32.26 10.51 -8.63 31.81 10.90 -8.58 0.36 0.2916 0 1 32.26 10.51 -8.63 31.81 10.90 -8.58 31.96 10.17 -8.33 0.36 0.2916 0 1 31.81 10.90 -8.58 31.96 10.17 -8.33 31.50 10.55 -8.29 0.36 0.2916 0 1 31.96 10.17 -8.33 31.50 10.55 -8.29 31.61 9.77 -7.98 0.36 0.2916 0 1 31.50 10.55 -8.29 31.61 9.77 -7.98 31.14 10.15 -7.95 0.36 0.2916 0 1 31.61 9.77 -7.98 31.14 10.15 -7.95 31.23 9.34 -7.60 0.36 0.2916 0 1 31.14 10.15 -7.95 31.23 9.34 -7.60 30.75 9.70 -7.59 0.36 0.2916 0 1 31.23 9.34 -7.60 30.75 9.70 -7.59 30.86 8.89 -7.24 0.36 0.2916 0 1 30.75 9.70 -7.59 30.86 8.89 -7.24 30.37 9.25 -7.23 0.36 0.2916 0 1 30.86 8.89 -7.24 30.37 9.25 -7.23 30.51 8.47 -6.91 0.36 0.2916 0 1 30.37 9.25 -7.23 30.51 8.47 -6.91 30.03 8.82 -6.92 0.36 0.2916 0 1 30.51 8.47 -6.91 30.03 8.82 -6.92 30.20 8.06 -6.62 0.36 0.2916 0 1 30.03 8.82 -6.92 30.20 8.06 -6.62 29.71 8.40 -6.63 0.36 0.2916 0 1 30.20 8.06 -6.62 29.71 8.40 -6.63 29.89 7.64 -6.33 0.36 0.2916 0 1 29.71 8.40 -6.63 29.89 7.64 -6.33 29.39 7.97 -6.36 0.36 0.2916 0 1 29.89 7.64 -6.33 29.39 7.97 -6.36 29.58 7.21 -6.05 0.36 0.2916 0 1 29.39 7.97 -6.36 29.58 7.21 -6.05 29.08 7.53 -6.09 0.36 0.2916 0 1 29.58 7.21 -6.05 29.08 7.53 -6.09 29.28 6.77 -5.79 0.36 0.2916 0 1 29.08 7.53 -6.09 29.28 6.77 -5.79 28.77 7.09 -5.83 0.36 0.2916 0 1 29.28 6.77 -5.79 28.77 7.09 -5.83 28.97 6.33 -5.53 0.36 0.2916 0 1 28.77 7.09 -5.83 28.97 6.33 -5.53 28.46 6.65 -5.59 0.36 0.2916 0 1 28.97 6.33 -5.53 28.46 6.65 -5.59 28.65 5.89 -5.27 0.36 0.2916 0 1 28.46 6.65 -5.59 28.65 5.89 -5.27 28.14 6.20 -5.35 0.36 0.2916 0 1 31.66 10.05 -10.53 31.21 10.45 -10.48 31.48 9.79 -10.32 0.36 0.2916 0 1 31.21 10.45 -10.48 31.48 9.79 -10.32 31.03 10.18 -10.28 0.36 0.2916 0 1 31.48 9.79 -10.32 31.03 10.18 -10.28 31.22 9.44 -10.03 0.36 0.2916 0 1 31.03 10.18 -10.28 31.22 9.44 -10.03 30.76 9.82 -10.00 0.36 0.2916 0 1 31.22 9.44 -10.03 30.76 9.82 -10.00 30.91 9.02 -9.69 0.36 0.2916 0 1 30.76 9.82 -10.00 30.91 9.02 -9.69 30.44 9.39 -9.67 0.36 0.2916 0 1 30.91 9.02 -9.69 30.44 9.39 -9.67 30.58 8.57 -9.33 0.36 0.2916 0 1 30.44 9.39 -9.67 30.58 8.57 -9.33 30.10 8.93 -9.31 0.36 0.2916 0 1 30.58 8.57 -9.33 30.10 8.93 -9.31 30.25 8.11 -8.97 0.36 0.2916 0 1 30.10 8.93 -9.31 30.25 8.11 -8.97 29.77 8.46 -8.97 0.36 0.2916 0 1 30.25 8.11 -8.97 29.77 8.46 -8.97 29.95 7.67 -8.66 0.36 0.2916 0 1 29.77 8.46 -8.97 29.95 7.67 -8.66 29.46 8.02 -8.66 0.36 0.2916 0 1 29.95 7.67 -8.66 29.46 8.02 -8.66 29.69 7.25 -8.38 0.36 0.2916 0 1 29.46 8.02 -8.66 29.69 7.25 -8.38 29.19 7.59 -8.39 0.36 0.2916 0 1 29.69 7.25 -8.38 29.19 7.59 -8.39 29.43 6.83 -8.10 0.36 0.2916 0 1 29.19 7.59 -8.39 29.43 6.83 -8.10 28.94 7.16 -8.13 0.36 0.2916 0 1 29.43 6.83 -8.10 28.94 7.16 -8.13 29.18 6.39 -7.84 0.36 0.2916 0 1 28.94 7.16 -8.13 29.18 6.39 -7.84 28.68 6.72 -7.87 0.36 0.2916 0 1 29.18 6.39 -7.84 28.68 6.72 -7.87 28.93 5.96 -7.58 0.36 0.2916 0 1 28.68 6.72 -7.87 28.93 5.96 -7.58 28.43 6.28 -7.63 0.36 0.2916 0 1 28.93 5.96 -7.58 28.43 6.28 -7.63 28.67 5.52 -7.33 0.36 0.2916 0 1 28.43 6.28 -7.63 28.67 5.52 -7.33 28.17 5.84 -7.39 0.36 0.2916 0 1 28.67 5.52 -7.33 28.17 5.84 -7.39 28.41 5.08 -7.09 0.36 0.2916 0 1 28.17 5.84 -7.39 28.41 5.08 -7.09 27.90 5.39 -7.16 0.36 0.2916 0 1 28.20 6.40 -4.89 28.71 6.10 -4.82 28.14 6.20 -5.35 0.36 0.2916 0 1 28.14 6.20 -5.35 28.71 6.10 -4.82 28.65 5.89 -5.27 0.36 0.2916 0 1 28.35 4.88 -7.54 27.84 5.19 -7.61 28.41 5.08 -7.09 0.36 0.2916 0 1 28.41 5.08 -7.09 27.84 5.19 -7.61 27.90 5.39 -7.16 0.36 0.2916 0 1 32.03 11.14 -8.79 32.48 10.75 -8.84 31.66 10.05 -10.53 0.36 0.2916 0 1 31.66 10.05 -10.53 31.21 10.45 -10.48 32.03 11.14 -8.79 0.36 0.2916 0 1 28.71 6.10 -4.82 28.20 6.40 -4.89 27.62 4.46 -4.84 0.36 0.2916 0 1 28.20 6.40 -4.89 27.62 4.46 -4.84 27.11 4.75 -4.95 0.36 0.2916 0 1 27.62 4.46 -4.84 27.11 4.75 -4.95 26.65 2.81 -4.87 0.36 0.2916 0 1 27.11 4.75 -4.95 26.65 2.81 -4.87 26.14 3.09 -5.02 0.36 0.2916 0 1 28.35 4.88 -7.54 27.84 5.19 -7.61 27.55 3.84 -6.21 0.36 0.2916 0 1 27.84 5.19 -7.61 27.55 3.84 -6.21 27.04 4.14 -6.32 0.36 0.2916 0 1 27.55 3.84 -6.21 27.04 4.14 -6.32 26.65 2.81 -4.87 0.36 0.2916 0 1 27.04 4.14 -6.32 26.65 2.81 -4.87 26.14 3.09 -5.02 0.36 0.2916 0 3 26.39 2.95 -4.95 0.20 26.35 2.74 -4.75 0.20 1 0.81 0 3 26.35 2.74 -4.75 0.20 26.38 2.55 -4.52 0.20 1 0.81 0 3 26.38 2.55 -4.52 0.20 26.46 2.36 -4.26 0.20 1 0.81 0 3 26.46 2.36 -4.26 0.20 26.58 2.18 -3.99 0.20 1 0.81 0 3 26.58 2.18 -3.99 0.20 26.73 2.01 -3.71 0.20 1 0.81 0 3 26.73 2.01 -3.71 0.20 26.90 1.84 -3.41 0.20 1 0.81 0 3 26.90 1.84 -3.41 0.20 27.06 1.66 -3.12 0.20 1 0.81 0 3 27.06 1.66 -3.12 0.20 27.21 1.49 -2.84 0.20 1 0.81 0 3 27.21 1.49 -2.84 0.20 27.33 1.31 -2.56 0.20 1 0.81 0 3 27.33 1.31 -2.56 0.20 27.41 1.13 -2.30 0.20 1 0.81 0 3 27.41 1.13 -2.30 0.20 27.46 0.94 -2.06 0.20 1 0.81 0 3 27.46 0.94 -2.06 0.20 27.50 0.74 -1.82 0.20 1 0.81 0 3 27.50 0.74 -1.82 0.20 27.53 0.54 -1.58 0.20 1 0.81 0 3 27.53 0.54 -1.58 0.20 27.55 0.33 -1.35 0.20 1 0.81 0 3 27.55 0.33 -1.35 0.20 27.56 0.13 -1.13 0.20 1 0.81 0 3 27.56 0.13 -1.13 0.20 27.57 -0.07 -0.90 0.20 1 0.81 0 3 27.57 -0.07 -0.90 0.20 27.56 -0.27 -0.67 0.20 1 0.81 0 3 27.56 -0.27 -0.67 0.20 27.55 -0.46 -0.44 0.20 1 0.81 0 3 27.55 -0.46 -0.44 0.20 27.53 -0.64 -0.21 0.20 1 0.81 0 3 27.53 -0.64 -0.21 0.20 27.50 -0.81 0.03 0.20 1 0.81 0 3 27.50 -0.81 0.03 0.20 27.47 -0.97 0.27 0.20 1 0.81 0 3 27.47 -0.97 0.27 0.20 27.42 -1.13 0.51 0.20 1 0.81 0 3 27.42 -1.13 0.51 0.20 27.36 -1.28 0.76 0.20 1 0.81 0 3 27.36 -1.28 0.76 0.20 27.30 -1.43 1.00 0.20 1 0.81 0 3 27.30 -1.43 1.00 0.20 27.22 -1.57 1.25 0.20 1 0.81 0 3 27.22 -1.57 1.25 0.20 27.15 -1.70 1.50 0.20 1 0.81 0 3 27.15 -1.70 1.50 0.20 27.07 -1.82 1.75 0.20 1 0.81 0 3 27.07 -1.82 1.75 0.20 26.99 -1.93 2.01 0.20 1 0.81 0 3 26.99 -1.93 2.01 0.20 26.91 -2.02 2.27 0.20 1 0.81 0 3 26.91 -2.02 2.27 0.20 26.83 -2.09 2.53 0.20 1 0.81 0 3 26.83 -2.09 2.53 0.20 26.76 -2.15 2.80 0.20 1 0.81 0 3 26.76 -2.15 2.80 0.20 26.69 -2.20 3.09 0.20 1 0.81 0 3 26.69 -2.20 3.09 0.20 26.61 -2.23 3.38 0.20 1 0.81 0 3 26.61 -2.23 3.38 0.20 26.54 -2.25 3.67 0.20 1 0.81 0 3 26.54 -2.25 3.67 0.20 26.46 -2.26 3.97 0.20 1 0.81 0 3 26.46 -2.26 3.97 0.20 26.39 -2.25 4.26 0.20 1 0.81 0 3 26.39 -2.25 4.26 0.20 26.31 -2.24 4.55 0.20 1 0.81 0 3 26.31 -2.24 4.55 0.20 26.23 -2.21 4.83 0.20 1 0.81 0 3 26.23 -2.21 4.83 0.20 26.15 -2.18 5.10 0.20 1 0.81 0 3 26.15 -2.18 5.10 0.20 26.06 -2.14 5.34 0.20 1 0.81 0 3 26.06 -2.14 5.34 0.20 25.97 -2.09 5.58 0.20 1 0.81 0 3 25.97 -2.09 5.58 0.20 25.89 -2.02 5.82 0.20 1 0.81 0 3 25.89 -2.02 5.82 0.20 25.81 -1.93 6.05 0.20 1 0.81 0 3 25.81 -1.93 6.05 0.20 25.72 -1.83 6.28 0.20 1 0.81 0 3 25.72 -1.83 6.28 0.20 25.63 -1.73 6.50 0.20 1 0.81 0 3 25.63 -1.73 6.50 0.20 25.54 -1.62 6.70 0.20 1 0.81 0 3 25.54 -1.62 6.70 0.20 25.44 -1.51 6.88 0.20 1 0.81 0 3 25.44 -1.51 6.88 0.20 25.34 -1.40 7.05 0.20 1 0.81 0 3 25.34 -1.40 7.05 0.20 25.22 -1.30 7.20 0.20 1 0.81 0 3 25.22 -1.30 7.20 0.20 25.10 -1.20 7.32 0.20 1 0.81 0 3 25.10 -1.20 7.32 0.20 24.97 -1.11 7.42 0.20 1 0.81 0 3 24.97 -1.11 7.42 0.20 24.83 -1.00 7.50 0.20 1 0.81 0 3 24.83 -1.00 7.50 0.20 24.69 -0.89 7.55 0.20 1 0.81 0 3 24.69 -0.89 7.55 0.20 24.54 -0.79 7.59 0.20 1 0.81 0 3 24.54 -0.79 7.59 0.20 24.38 -0.68 7.61 0.20 1 0.81 0 3 24.38 -0.68 7.61 0.20 24.22 -0.58 7.62 0.20 1 0.81 0 3 24.22 -0.58 7.62 0.20 24.05 -0.49 7.62 0.20 1 0.81 0 3 24.05 -0.49 7.62 0.20 23.87 -0.41 7.60 0.20 1 0.81 0 3 23.87 -0.41 7.60 0.20 23.69 -0.35 7.59 0.20 1 0.81 0 3 23.69 -0.35 7.59 0.20 23.50 -0.31 7.57 0.20 1 0.81 0 3 23.50 -0.31 7.57 0.20 23.30 -0.29 7.54 0.20 1 0.81 0 3 23.30 -0.29 7.54 0.20 23.09 -0.28 7.49 0.20 1 0.81 0 3 23.09 -0.28 7.49 0.20 22.87 -0.27 7.43 0.20 1 0.81 0 3 22.87 -0.27 7.43 0.20 22.65 -0.28 7.36 0.20 1 0.81 0 3 22.65 -0.28 7.36 0.20 22.42 -0.30 7.28 0.20 1 0.81 0 3 22.42 -0.30 7.28 0.20 22.19 -0.34 7.20 0.20 1 0.81 0 3 22.19 -0.34 7.20 0.20 21.95 -0.39 7.12 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3.71 -20.01 24.38 2.73 -17.89 25.16 3.41 -20.24 1 0.81 0 7 0.793 0.452 0.409 0.793 0.452 0.409 0.885 0.295 0.360 1 24.38 2.73 -17.89 25.16 3.41 -20.24 24.63 2.45 -18.16 1 0.81 0 7 0.793 0.452 0.409 0.885 0.295 0.360 0.885 0.295 0.360 1 25.16 3.41 -20.24 24.63 2.45 -18.16 25.31 3.07 -20.43 1 0.81 0 7 0.885 0.295 0.360 0.885 0.295 0.360 0.946 0.128 0.299 1 24.63 2.45 -18.16 25.31 3.07 -20.43 24.81 2.18 -18.47 1 0.81 0 7 0.885 0.295 0.360 0.946 0.128 0.299 0.946 0.128 0.299 1 25.31 3.07 -20.43 24.81 2.18 -18.47 25.37 2.72 -20.59 1 0.81 0 7 0.946 0.128 0.299 0.946 0.128 0.299 0.973 -0.037 0.230 1 24.81 2.18 -18.47 25.37 2.72 -20.59 24.92 1.91 -18.83 1 0.81 0 7 0.946 0.128 0.299 0.973 -0.037 0.230 0.973 -0.037 0.230 1 25.37 2.72 -20.59 24.92 1.91 -18.83 25.35 2.35 -20.73 1 0.81 0 7 0.973 -0.037 0.230 0.973 -0.037 0.230 0.968 -0.194 0.157 1 24.92 1.91 -18.83 25.35 2.35 -20.73 24.97 1.66 -19.22 1 0.81 0 7 0.973 -0.037 0.230 0.968 -0.194 0.157 0.968 -0.194 0.157 1 25.35 2.35 -20.73 24.97 1.66 -19.22 25.27 1.99 -20.87 1 0.81 0 7 0.968 -0.194 0.157 0.968 -0.194 0.157 0.938 -0.337 0.083 1 24.97 1.66 -19.22 25.27 1.99 -20.87 24.95 1.42 -19.63 1 0.81 0 7 0.968 -0.194 0.157 0.938 -0.337 0.083 0.938 -0.337 0.083 1 25.27 1.99 -20.87 24.95 1.42 -19.63 25.13 1.66 -21.02 1 0.81 0 7 0.938 -0.337 0.083 0.938 -0.337 0.083 0.885 -0.465 0.011 1 24.95 1.42 -19.63 25.13 1.66 -21.02 24.88 1.21 -20.06 1 0.81 0 7 0.938 -0.337 0.083 0.885 -0.465 0.011 0.885 -0.465 0.011 1 25.13 1.66 -21.02 24.88 1.21 -20.06 24.94 1.36 -21.20 1 0.81 0 7 0.885 -0.465 0.011 0.885 -0.465 0.011 0.813 -0.579 -0.060 1 24.88 1.21 -20.06 24.94 1.36 -21.20 24.76 1.03 -20.48 1 0.81 0 7 0.885 -0.465 0.011 0.813 -0.579 -0.060 0.813 -0.579 -0.060 1 24.94 1.36 -21.20 24.76 1.03 -20.48 24.71 1.11 -21.42 1 0.81 0 7 0.813 -0.579 -0.060 0.813 -0.579 -0.060 0.722 -0.680 -0.129 1 24.76 1.03 -20.48 24.71 1.11 -21.42 24.58 0.87 -20.90 1 0.81 0 7 0.813 -0.579 -0.060 0.722 -0.680 -0.129 0.722 -0.680 -0.129 1 24.71 1.11 -21.42 24.58 0.87 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15.38 -4.76 3.63 0.15 1 0.81 0 3 15.49 -4.57 5.02 0.15 15.17 -4.36 4.95 0.15 1 0.81 0 3 15.38 -4.76 3.63 0.15 15.14 -4.59 3.27 0.15 1 0.81 0 3 15.17 -4.36 4.95 0.15 14.88 -4.10 4.89 0.15 1 0.81 0 3 15.14 -4.59 3.27 0.15 14.95 -4.38 2.93 0.15 1 0.81 0 3 14.88 -4.10 4.89 0.15 14.65 -3.81 4.81 0.15 1 0.81 0 3 14.95 -4.38 2.93 0.15 14.81 -4.12 2.60 0.15 1 0.81 0 3 14.65 -3.81 4.81 0.15 14.47 -3.49 4.69 0.15 1 0.81 0 3 14.81 -4.12 2.60 0.15 14.73 -3.82 2.30 0.15 1 0.81 0 3 14.47 -3.49 4.69 0.15 14.37 -3.15 4.52 0.15 1 0.81 0 3 14.73 -3.82 2.30 0.15 14.72 -3.49 2.01 0.15 1 0.81 0 3 14.37 -3.15 4.52 0.15 14.36 -2.81 4.28 0.15 1 0.81 0 3 14.72 -3.49 2.01 0.15 14.79 -3.14 1.75 0.15 1 0.81 0 3 14.36 -2.81 4.28 0.15 14.44 -2.48 4.03 0.15 1 0.81 0 3 14.79 -3.14 1.75 0.15 14.91 -2.81 1.52 0.15 1 0.81 0 3 14.44 -2.48 4.03 0.15 14.58 -2.18 3.81 0.15 1 0.81 0 3 14.91 -2.81 1.52 0.15 15.09 -2.51 1.33 0.15 1 0.81 0 3 14.58 -2.18 3.81 0.15 14.77 -1.91 3.63 0.15 1 0.81 0 3 15.09 -2.51 1.33 0.15 15.33 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-0.703 -0.064 0.573 -0.808 -0.138 0.573 -0.808 -0.138 1 21.64 3.69 -19.43 21.12 2.94 -17.21 21.98 3.90 -19.43 0.36 0.2916 0 7 0.573 -0.808 -0.138 0.573 -0.808 -0.138 0.421 -0.882 -0.210 1 21.12 2.94 -17.21 21.98 3.90 -19.43 21.45 3.12 -17.22 0.36 0.2916 0 7 0.573 -0.808 -0.138 0.421 -0.882 -0.210 0.421 -0.882 -0.210 1 21.98 3.90 -19.43 21.45 3.12 -17.22 22.33 4.05 -19.44 0.36 0.2916 0 7 0.421 -0.882 -0.210 0.421 -0.882 -0.210 0.260 -0.926 -0.275 1 21.45 3.12 -17.22 22.33 4.05 -19.44 21.81 3.25 -17.24 0.36 0.2916 0 7 0.421 -0.882 -0.210 0.260 -0.926 -0.275 0.260 -0.926 -0.275 1 22.33 4.05 -19.44 21.81 3.25 -17.24 22.70 4.14 -19.46 0.36 0.2916 0 7 0.260 -0.926 -0.275 0.260 -0.926 -0.275 0.095 -0.939 -0.331 1 21.81 3.25 -17.24 22.70 4.14 -19.46 22.17 3.31 -17.27 0.36 0.2916 0 7 0.260 -0.926 -0.275 0.095 -0.939 -0.331 0.095 -0.939 -0.331 1 22.70 4.14 -19.46 22.17 3.31 -17.27 23.07 4.17 -19.50 0.36 0.2916 0 7 0.095 -0.939 -0.331 0.095 -0.939 -0.331 -0.070 -0.923 -0.377 1 22.17 3.31 -17.27 23.07 4.17 -19.50 22.54 3.32 -17.32 0.36 0.2916 0 7 0.095 -0.939 -0.331 -0.070 -0.923 -0.377 -0.070 -0.923 -0.377 1 23.07 4.17 -19.50 22.54 3.32 -17.32 23.43 4.15 -19.56 0.36 0.2916 0 7 -0.070 -0.923 -0.377 -0.070 -0.923 -0.377 -0.232 -0.881 -0.413 1 22.54 3.32 -17.32 23.43 4.15 -19.56 22.90 3.27 -17.39 0.36 0.2916 0 7 -0.070 -0.923 -0.377 -0.232 -0.881 -0.413 -0.232 -0.881 -0.413 1 23.43 4.15 -19.56 22.90 3.27 -17.39 23.79 4.08 -19.64 0.36 0.2916 0 7 -0.232 -0.881 -0.413 -0.232 -0.881 -0.413 -0.390 -0.811 -0.435 1 22.90 3.27 -17.39 23.79 4.08 -19.64 23.25 3.18 -17.48 0.36 0.2916 0 7 -0.232 -0.881 -0.413 -0.390 -0.811 -0.435 -0.390 -0.811 -0.435 1 23.79 4.08 -19.64 23.25 3.18 -17.48 24.12 3.96 -19.76 0.36 0.2916 0 7 -0.390 -0.811 -0.435 -0.390 -0.811 -0.435 -0.541 -0.715 -0.443 1 23.25 3.18 -17.48 24.12 3.96 -19.76 23.59 3.03 -17.61 0.36 0.2916 0 7 -0.390 -0.811 -0.435 -0.541 -0.715 -0.443 -0.541 -0.715 -0.443 1 24.12 3.96 -19.76 23.59 3.03 -17.61 24.43 3.79 -19.92 0.36 0.2916 0 7 -0.541 -0.715 -0.443 -0.541 -0.715 -0.443 -0.677 -0.594 -0.435 1 23.59 3.03 -17.61 24.43 3.79 -19.92 23.89 2.84 -17.78 0.36 0.2916 0 7 -0.541 -0.715 -0.443 -0.677 -0.594 -0.435 -0.677 -0.594 -0.435 1 24.43 3.79 -19.92 23.89 2.84 -17.78 24.71 3.59 -20.12 0.36 0.2916 0 7 -0.677 -0.594 -0.435 -0.677 -0.594 -0.435 -0.793 -0.452 -0.409 1 23.89 2.84 -17.78 24.71 3.59 -20.12 24.17 2.61 -18.00 0.36 0.2916 0 7 -0.677 -0.594 -0.435 -0.793 -0.452 -0.409 -0.793 -0.452 -0.409 1 24.71 3.59 -20.12 24.17 2.61 -18.00 24.92 3.33 -20.34 0.36 0.2916 0 7 -0.793 -0.452 -0.409 -0.793 -0.452 -0.409 -0.885 -0.295 -0.360 1 24.17 2.61 -18.00 24.92 3.33 -20.34 24.39 2.37 -18.26 0.36 0.2916 0 7 -0.793 -0.452 -0.409 -0.885 -0.295 -0.360 -0.885 -0.295 -0.360 1 24.92 3.33 -20.34 24.39 2.37 -18.26 25.05 3.04 -20.51 0.36 0.2916 0 7 -0.885 -0.295 -0.360 -0.885 -0.295 -0.360 -0.946 -0.128 -0.299 1 24.39 2.37 -18.26 25.05 3.04 -20.51 24.55 2.14 -18.55 0.36 0.2916 0 7 -0.885 -0.295 -0.360 -0.946 -0.128 -0.299 -0.946 -0.128 -0.299 1 25.05 3.04 -20.51 24.55 2.14 -18.55 25.10 2.73 -20.65 0.36 0.2916 0 7 -0.946 -0.128 -0.299 -0.946 -0.128 -0.299 -0.973 0.037 -0.230 1 24.55 2.14 -18.55 25.10 2.73 -20.65 24.66 1.92 -18.89 0.36 0.2916 0 7 -0.946 -0.128 -0.299 -0.973 0.037 -0.230 -0.973 0.037 -0.230 1 25.10 2.73 -20.65 24.66 1.92 -18.89 25.09 2.40 -20.77 0.36 0.2916 0 7 -0.973 0.037 -0.230 -0.973 0.037 -0.230 -0.968 0.194 -0.157 1 24.66 1.92 -18.89 25.09 2.40 -20.77 24.71 1.71 -19.26 0.36 0.2916 0 7 -0.973 0.037 -0.230 -0.968 0.194 -0.157 -0.968 0.194 -0.157 1 25.09 2.40 -20.77 24.71 1.71 -19.26 25.02 2.08 -20.89 0.36 0.2916 0 7 -0.968 0.194 -0.157 -0.968 0.194 -0.157 -0.938 0.337 -0.083 1 24.71 1.71 -19.26 25.02 2.08 -20.89 24.70 1.51 -19.65 0.36 0.2916 0 7 -0.968 0.194 -0.157 -0.938 0.337 -0.083 -0.938 0.337 -0.083 1 25.02 2.08 -20.89 24.70 1.51 -19.65 24.89 1.78 -21.03 0.36 0.2916 0 7 -0.938 0.337 -0.083 -0.938 0.337 -0.083 -0.885 0.465 -0.011 1 24.70 1.51 -19.65 24.89 1.78 -21.03 24.64 1.34 -20.06 0.36 0.2916 0 7 -0.938 0.337 -0.083 -0.885 0.465 -0.011 -0.885 0.465 -0.011 1 24.89 1.78 -21.03 24.64 1.34 -20.06 24.72 1.51 -21.18 0.36 0.2916 0 7 -0.885 0.465 -0.011 -0.885 0.465 -0.011 -0.813 0.579 0.060 1 24.64 1.34 -20.06 24.72 1.51 -21.18 24.54 1.18 -20.47 0.36 0.2916 0 7 -0.885 0.465 -0.011 -0.813 0.579 0.060 -0.813 0.579 0.060 1 24.72 1.51 -21.18 24.54 1.18 -20.47 24.52 1.30 -21.38 0.36 0.2916 0 7 -0.813 0.579 0.060 -0.813 0.579 0.060 -0.722 0.680 0.129 1 24.54 1.18 -20.47 24.52 1.30 -21.38 24.38 1.06 -20.86 0.36 0.2916 0 7 -0.813 0.579 0.060 -0.722 0.680 0.129 -0.722 0.680 0.129 1 24.52 1.30 -21.38 24.38 1.06 -20.86 24.29 1.14 -21.64 0.36 0.2916 0 7 -0.722 0.680 0.129 -0.722 0.680 0.129 -0.613 0.765 0.196 1 24.38 1.06 -20.86 24.29 1.14 -21.64 24.19 0.96 -21.24 0.36 0.2916 0 7 -0.722 0.680 0.129 -0.613 0.765 0.196 -0.613 0.765 0.196 1 24.29 1.14 -21.64 24.19 0.96 -21.24 24.04 1.06 -21.95 0.36 0.2916 0 7 -0.613 0.765 0.196 -0.613 0.765 0.196 -0.486 0.835 0.260 1 24.19 0.96 -21.24 24.04 1.06 -21.95 23.95 0.90 -21.60 0.36 0.2916 0 7 -0.613 0.765 0.196 -0.486 0.835 0.260 -0.486 0.835 0.260 3 24.12 0.75 -21.84 0.20 24.01 0.79 -22.01 0.20 1 0.81 0 3 24.01 0.79 -22.01 0.20 23.88 0.90 -22.14 0.20 1 0.81 0 3 23.88 0.90 -22.14 0.20 23.73 1.08 -22.24 0.20 1 0.81 0 3 23.73 1.08 -22.24 0.20 23.57 1.31 -22.33 0.20 1 0.81 0 3 23.57 1.31 -22.33 0.20 23.40 1.58 -22.39 0.20 1 0.81 0 3 23.40 1.58 -22.39 0.20 23.23 1.87 -22.44 0.20 1 0.81 0 3 23.23 1.87 -22.44 0.20 23.06 2.18 -22.47 0.20 1 0.81 0 3 23.06 2.18 -22.47 0.20 22.90 2.48 -22.50 0.20 1 0.81 0 3 22.90 2.48 -22.50 0.20 22.75 2.76 -22.52 0.20 1 0.81 0 3 22.75 2.76 -22.52 0.20 22.61 3.01 -22.54 0.20 1 0.81 0 3 22.61 3.01 -22.54 0.20 22.49 3.25 -22.57 0.20 1 0.81 0 3 22.49 3.25 -22.57 0.20 22.37 3.48 -22.58 0.20 1 0.81 0 3 22.37 3.48 -22.58 0.20 22.26 3.72 -22.58 0.20 1 0.81 0 3 22.26 3.72 -22.58 0.20 22.16 3.96 -22.58 0.20 1 0.81 0 3 22.16 3.96 -22.58 0.20 22.06 4.20 -22.56 0.20 1 0.81 0 3 22.06 4.20 -22.56 0.20 21.96 4.43 -22.54 0.20 1 0.81 0 3 21.96 4.43 -22.54 0.20 21.86 4.67 -22.50 0.20 1 0.81 0 3 21.86 4.67 -22.50 0.20 21.77 4.91 -22.46 0.20 1 0.81 0 3 21.77 4.91 -22.46 0.20 21.68 5.15 -22.40 0.20 1 0.81 0 3 21.68 5.15 -22.40 0.20 21.58 5.38 -22.33 0.20 1 0.81 0 3 21.58 5.38 -22.33 0.20 21.49 5.62 -22.25 0.20 1 0.81 0 3 21.49 5.62 -22.25 0.20 21.40 5.86 -22.16 0.20 1 0.81 0 3 21.40 5.86 -22.16 0.20 21.31 6.10 -22.05 0.20 1 0.81 0 3 21.31 6.10 -22.05 0.20 21.22 6.33 -21.94 0.20 1 0.81 0 3 21.22 6.33 -21.94 0.20 21.14 6.57 -21.81 0.20 1 0.81 0 3 21.14 6.57 -21.81 0.20 21.05 6.81 -21.68 0.20 1 0.81 0 3 21.05 6.81 -21.68 0.20 20.97 7.04 -21.54 0.20 1 0.81 0 3 20.97 7.04 -21.54 0.20 20.89 7.26 -21.38 0.20 1 0.81 0 3 20.89 7.26 -21.38 0.20 20.82 7.49 -21.22 0.20 1 0.81 0 3 20.82 7.49 -21.22 0.20 20.74 7.70 -21.05 0.20 1 0.81 0 3 20.74 7.70 -21.05 0.20 20.67 7.91 -20.87 0.20 1 0.81 0 3 20.67 7.91 -20.87 0.20 20.60 8.12 -20.68 0.20 1 0.81 0 3 20.60 8.12 -20.68 0.20 20.53 8.32 -20.48 0.20 1 0.81 0 3 20.53 8.32 -20.48 0.20 20.46 8.52 -20.27 0.20 1 0.81 0 3 20.46 8.52 -20.27 0.20 20.39 8.72 -20.05 0.20 1 0.81 0 3 20.39 8.72 -20.05 0.20 20.33 8.91 -19.82 0.20 1 0.81 0 3 20.33 8.91 -19.82 0.20 20.27 9.10 -19.59 0.20 1 0.81 0 3 20.27 9.10 -19.59 0.20 20.21 9.28 -19.35 0.20 1 0.81 0 3 20.21 9.28 -19.35 0.20 20.16 9.45 -19.10 0.20 1 0.81 0 3 20.16 9.45 -19.10 0.20 20.11 9.61 -18.84 0.20 1 0.81 0 3 20.11 9.61 -18.84 0.20 20.08 9.76 -18.57 0.20 1 0.81 0 3 20.08 9.76 -18.57 0.20 20.06 9.89 -18.28 0.20 1 0.81 0 3 20.06 9.89 -18.28 0.20 20.05 10.00 -17.96 0.20 1 0.81 0 3 20.05 10.00 -17.96 0.20 20.05 10.10 -17.64 0.20 1 0.81 0 3 20.05 10.10 -17.64 0.20 20.05 10.20 -17.32 0.20 1 0.81 0 3 20.05 10.20 -17.32 0.20 20.04 10.31 -17.00 0.20 1 0.81 0 3 20.04 10.31 -17.00 0.20 20.02 10.43 -16.69 0.20 1 0.81 0 3 20.02 10.43 -16.69 0.20 19.98 10.57 -16.40 0.20 1 0.81 0 3 19.98 10.57 -16.40 0.20 19.92 10.74 -16.15 0.20 1 0.81 0 3 19.92 10.74 -16.15 0.20 19.83 10.95 -15.93 0.20 1 0.81 0 1 20.47 11.65 -16.35 18.87 10.54 -15.92 20.38 11.89 -16.12 1 0.81 0 7 -0.529 0.497 -0.688 -0.529 0.497 -0.688 -0.534 0.529 -0.650 1 18.87 10.54 -15.92 20.38 11.89 -16.12 18.77 10.77 -15.71 1 0.81 0 7 -0.529 0.497 -0.688 -0.534 0.529 -0.650 -0.534 0.529 -0.650 1 20.38 11.89 -16.12 18.77 10.77 -15.71 20.23 12.22 -15.81 1 0.81 0 7 -0.534 0.529 -0.650 -0.534 0.529 -0.650 -0.539 0.562 -0.611 1 18.77 10.77 -15.71 20.23 12.22 -15.81 18.62 11.10 -15.41 1 0.81 0 7 -0.534 0.529 -0.650 -0.539 0.562 -0.611 -0.539 0.562 -0.611 1 20.23 12.22 -15.81 18.62 11.10 -15.41 20.06 12.60 -15.45 1 0.81 0 7 -0.539 0.562 -0.611 -0.539 0.562 -0.611 -0.544 0.594 -0.573 1 18.62 11.10 -15.41 20.06 12.60 -15.45 18.45 11.49 -15.07 1 0.81 0 7 -0.539 0.562 -0.611 -0.544 0.594 -0.573 -0.544 0.594 -0.573 1 20.06 12.60 -15.45 18.45 11.49 -15.07 19.90 12.99 -15.06 1 0.81 0 7 -0.544 0.594 -0.573 -0.544 0.594 -0.573 -0.548 0.626 -0.535 1 18.45 11.49 -15.07 19.90 12.99 -15.06 18.28 11.89 -14.68 1 0.81 0 7 -0.544 0.594 -0.573 -0.548 0.626 -0.535 -0.548 0.626 -0.535 1 19.90 12.99 -15.06 18.28 11.89 -14.68 19.76 13.35 -14.64 1 0.81 0 7 -0.548 0.626 -0.535 -0.548 0.626 -0.535 -0.553 0.659 -0.497 1 18.28 11.89 -14.68 19.76 13.35 -14.64 18.13 12.25 -14.28 1 0.81 0 7 -0.548 0.626 -0.535 -0.553 0.659 -0.497 -0.553 0.659 -0.497 1 19.76 13.35 -14.64 18.13 12.25 -14.28 19.67 13.62 -14.23 1 0.81 0 7 -0.553 0.659 -0.497 -0.553 0.659 -0.497 -0.558 0.691 -0.459 1 18.13 12.25 -14.28 19.67 13.62 -14.23 18.03 12.53 -13.88 1 0.81 0 7 -0.553 0.659 -0.497 -0.558 0.691 -0.459 -0.558 0.691 -0.459 1 19.67 13.62 -14.23 18.03 12.53 -13.88 19.62 13.83 -13.80 1 0.81 0 7 -0.558 0.691 -0.459 -0.558 0.691 -0.459 -0.569 0.705 -0.370 1 18.03 12.53 -13.88 19.62 13.83 -13.80 18.00 12.71 -13.45 1 0.81 0 7 -0.558 0.691 -0.459 -0.569 0.705 -0.370 -0.569 0.705 -0.370 1 19.62 13.83 -13.80 18.00 12.71 -13.45 19.59 14.00 -13.35 1 0.81 0 7 -0.569 0.705 -0.370 -0.569 0.705 -0.370 -0.581 0.720 -0.281 1 18.00 12.71 -13.45 19.59 14.00 -13.35 18.00 12.85 -13.00 1 0.81 0 7 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-16.12 0.36 0.2916 0 1 20.70 11.57 -15.73 20.38 11.89 -16.12 20.55 11.88 -15.45 0.36 0.2916 0 1 20.38 11.89 -16.12 20.55 11.88 -15.45 20.23 12.22 -15.81 0.36 0.2916 0 1 20.55 11.88 -15.45 20.23 12.22 -15.81 20.39 12.25 -15.11 0.36 0.2916 0 1 20.23 12.22 -15.81 20.39 12.25 -15.11 20.06 12.60 -15.45 0.36 0.2916 0 1 20.39 12.25 -15.11 20.06 12.60 -15.45 20.23 12.62 -14.73 0.36 0.2916 0 1 20.06 12.60 -15.45 20.23 12.62 -14.73 19.90 12.99 -15.06 0.36 0.2916 0 1 20.23 12.62 -14.73 19.90 12.99 -15.06 20.09 12.95 -14.34 0.36 0.2916 0 1 19.90 12.99 -15.06 20.09 12.95 -14.34 19.76 13.35 -14.64 0.36 0.2916 0 1 20.09 12.95 -14.34 19.76 13.35 -14.64 20.01 13.21 -13.95 0.36 0.2916 0 1 19.76 13.35 -14.64 20.01 13.21 -13.95 19.67 13.62 -14.23 0.36 0.2916 0 1 20.01 13.21 -13.95 19.67 13.62 -14.23 19.96 13.41 -13.58 0.36 0.2916 0 1 19.67 13.62 -14.23 19.96 13.41 -13.58 19.62 13.83 -13.80 0.36 0.2916 0 1 19.96 13.41 -13.58 19.62 13.83 -13.80 19.94 13.57 -13.18 0.36 0.2916 0 1 19.62 13.83 -13.80 19.94 13.57 -13.18 19.59 14.00 -13.35 0.36 0.2916 0 1 19.94 13.57 -13.18 19.59 14.00 -13.35 19.95 13.70 -12.77 0.36 0.2916 0 1 19.59 14.00 -13.35 19.95 13.70 -12.77 19.59 14.14 -12.88 0.36 0.2916 0 1 19.95 13.70 -12.77 19.59 14.14 -12.88 19.98 13.79 -12.33 0.36 0.2916 0 1 19.59 14.14 -12.88 19.98 13.79 -12.33 19.62 14.24 -12.39 0.36 0.2916 0 1 19.98 13.79 -12.33 19.62 14.24 -12.39 20.03 13.86 -11.88 0.36 0.2916 0 1 19.62 14.24 -12.39 20.03 13.86 -11.88 19.66 14.31 -11.89 0.36 0.2916 0 1 20.03 13.86 -11.88 19.66 14.31 -11.89 20.09 13.89 -11.42 0.36 0.2916 0 1 19.66 14.31 -11.89 20.09 13.89 -11.42 19.72 14.36 -11.37 0.36 0.2916 0 1 20.09 13.89 -11.42 19.72 14.36 -11.37 20.17 13.92 -10.94 0.36 0.2916 0 1 19.72 14.36 -11.37 20.17 13.92 -10.94 19.78 14.37 -10.87 0.36 0.2916 0 1 20.17 13.92 -10.94 19.78 14.37 -10.87 20.26 13.90 -10.43 0.36 0.2916 0 1 19.78 14.37 -10.87 20.26 13.90 -10.43 19.87 14.33 -10.34 0.36 0.2916 0 1 20.26 13.90 -10.43 19.87 14.33 -10.34 20.37 13.85 -9.92 0.36 0.2916 0 1 19.87 14.33 -10.34 20.37 13.85 -9.92 19.97 14.27 -9.79 0.36 0.2916 0 1 20.37 13.85 -9.92 19.97 14.27 -9.79 20.50 13.78 -9.39 0.36 0.2916 0 1 19.97 14.27 -9.79 20.50 13.78 -9.39 20.09 14.18 -9.24 0.36 0.2916 0 1 20.50 13.78 -9.39 20.09 14.18 -9.24 20.63 13.71 -8.87 0.36 0.2916 0 1 20.09 14.18 -9.24 20.63 13.71 -8.87 20.21 14.09 -8.69 0.36 0.2916 0 1 20.63 13.71 -8.87 20.21 14.09 -8.69 20.78 13.64 -8.35 0.36 0.2916 0 1 20.21 14.09 -8.69 20.78 13.64 -8.35 20.35 14.01 -8.15 0.36 0.2916 0 1 20.78 13.64 -8.35 20.35 14.01 -8.15 20.91 13.58 -7.85 0.36 0.2916 0 1 20.35 14.01 -8.15 20.91 13.58 -7.85 20.47 13.93 -7.64 0.36 0.2916 0 1 20.91 13.58 -7.85 20.47 13.93 -7.64 21.06 13.52 -7.35 0.36 0.2916 0 1 20.47 13.93 -7.64 21.06 13.52 -7.35 20.61 13.84 -7.13 0.36 0.2916 0 1 21.06 13.52 -7.35 20.61 13.84 -7.13 21.21 13.45 -6.86 0.36 0.2916 0 1 20.61 13.84 -7.13 21.21 13.45 -6.86 20.75 13.74 -6.62 0.36 0.2916 0 1 21.21 13.45 -6.86 20.75 13.74 -6.62 21.37 13.37 -6.36 0.36 0.2916 0 1 20.75 13.74 -6.62 21.37 13.37 -6.36 20.91 13.64 -6.11 0.36 0.2916 0 1 21.37 13.37 -6.36 20.91 13.64 -6.11 21.55 13.30 -5.87 0.36 0.2916 0 1 20.91 13.64 -6.11 21.55 13.30 -5.87 21.07 13.55 -5.61 0.36 0.2916 0 1 21.55 13.30 -5.87 21.07 13.55 -5.61 21.74 13.23 -5.37 0.36 0.2916 0 1 21.07 13.55 -5.61 21.74 13.23 -5.37 21.25 13.46 -5.10 0.36 0.2916 0 1 21.74 13.23 -5.37 21.25 13.46 -5.10 21.95 13.16 -4.89 0.36 0.2916 0 1 21.25 13.46 -5.10 21.95 13.16 -4.89 21.47 13.37 -4.62 0.36 0.2916 0 1 21.95 13.16 -4.89 21.47 13.37 -4.62 22.19 13.09 -4.42 0.36 0.2916 0 1 21.47 13.37 -4.62 22.19 13.09 -4.42 21.70 13.29 -4.14 0.36 0.2916 0 1 22.19 13.09 -4.42 21.70 13.29 -4.14 22.43 13.02 -3.95 0.36 0.2916 0 1 21.70 13.29 -4.14 22.43 13.02 -3.95 21.94 13.21 -3.66 0.36 0.2916 0 1 22.43 13.02 -3.95 21.94 13.21 -3.66 22.68 12.96 -3.48 0.36 0.2916 0 1 21.94 13.21 -3.66 22.68 12.96 -3.48 22.19 13.13 -3.18 0.36 0.2916 0 1 22.68 12.96 -3.48 22.19 13.13 -3.18 22.94 12.90 -3.00 0.36 0.2916 0 1 22.19 13.13 -3.18 22.94 12.90 -3.00 22.45 13.05 -2.70 0.36 0.2916 0 1 22.94 12.90 -3.00 22.45 13.05 -2.70 23.21 12.83 -2.52 0.36 0.2916 0 1 22.45 13.05 -2.70 23.21 12.83 -2.52 22.71 12.98 -2.21 0.36 0.2916 0 1 19.19 10.24 -15.51 18.87 10.54 -15.92 19.09 10.45 -15.32 0.36 0.2916 0 1 18.87 10.54 -15.92 19.09 10.45 -15.32 18.77 10.77 -15.71 0.36 0.2916 0 1 19.09 10.45 -15.32 18.77 10.77 -15.71 18.94 10.77 -15.05 0.36 0.2916 0 1 18.77 10.77 -15.71 18.94 10.77 -15.05 18.62 11.10 -15.41 0.36 0.2916 0 1 18.94 10.77 -15.05 18.62 11.10 -15.41 18.77 11.14 -14.72 0.36 0.2916 0 1 18.62 11.10 -15.41 18.77 11.14 -14.72 18.45 11.49 -15.07 0.36 0.2916 0 1 18.77 11.14 -14.72 18.45 11.49 -15.07 18.60 11.51 -14.36 0.36 0.2916 0 1 18.45 11.49 -15.07 18.60 11.51 -14.36 18.28 11.89 -14.68 0.36 0.2916 0 1 18.60 11.51 -14.36 18.28 11.89 -14.68 18.46 11.86 -13.98 0.36 0.2916 0 1 18.28 11.89 -14.68 18.46 11.86 -13.98 18.13 12.25 -14.28 0.36 0.2916 0 1 18.46 11.86 -13.98 18.13 12.25 -14.28 18.37 12.12 -13.60 0.36 0.2916 0 1 18.13 12.25 -14.28 18.37 12.12 -13.60 18.03 12.53 -13.88 0.36 0.2916 0 1 18.37 12.12 -13.60 18.03 12.53 -13.88 18.34 12.29 -13.22 0.36 0.2916 0 1 18.03 12.53 -13.88 18.34 12.29 -13.22 18.00 12.71 -13.45 0.36 0.2916 0 1 18.34 12.29 -13.22 18.00 12.71 -13.45 18.34 12.42 -12.83 0.36 0.2916 0 1 18.00 12.71 -13.45 18.34 12.42 -12.83 18.00 12.85 -13.00 0.36 0.2916 0 1 18.34 12.42 -12.83 18.00 12.85 -13.00 18.37 12.52 -12.42 0.36 0.2916 0 1 18.00 12.85 -13.00 18.37 12.52 -12.42 18.02 12.96 -12.54 0.36 0.2916 0 1 18.37 12.52 -12.42 18.02 12.96 -12.54 18.42 12.58 -12.00 0.36 0.2916 0 1 18.02 12.96 -12.54 18.42 12.58 -12.00 18.06 13.03 -12.06 0.36 0.2916 0 1 18.42 12.58 -12.00 18.06 13.03 -12.06 18.49 12.62 -11.57 0.36 0.2916 0 1 18.06 13.03 -12.06 18.49 12.62 -11.57 18.12 13.08 -11.58 0.36 0.2916 0 1 18.49 12.62 -11.57 18.12 13.08 -11.58 18.57 12.63 -11.14 0.36 0.2916 0 1 18.12 13.08 -11.58 18.57 12.63 -11.14 18.19 13.10 -11.09 0.36 0.2916 0 1 18.57 12.63 -11.14 18.19 13.10 -11.09 18.68 12.60 -10.67 0.36 0.2916 0 1 18.19 13.10 -11.09 18.68 12.60 -10.67 18.30 13.05 -10.59 0.36 0.2916 0 1 18.68 12.60 -10.67 18.30 13.05 -10.59 18.82 12.53 -10.18 0.36 0.2916 0 1 18.30 13.05 -10.59 18.82 12.53 -10.18 18.43 12.96 -10.08 0.36 0.2916 0 1 18.82 12.53 -10.18 18.43 12.96 -10.08 18.98 12.43 -9.68 0.36 0.2916 0 1 18.43 12.96 -10.08 18.98 12.43 -9.68 18.58 12.85 -9.56 0.36 0.2916 0 1 18.98 12.43 -9.68 18.58 12.85 -9.56 19.15 12.32 -9.19 0.36 0.2916 0 1 18.58 12.85 -9.56 19.15 12.32 -9.19 18.74 12.72 -9.04 0.36 0.2916 0 1 19.15 12.32 -9.19 18.74 12.72 -9.04 19.33 12.20 -8.70 0.36 0.2916 0 1 18.74 12.72 -9.04 19.33 12.20 -8.70 18.91 12.58 -8.52 0.36 0.2916 0 1 19.33 12.20 -8.70 18.91 12.58 -8.52 19.52 12.09 -8.22 0.36 0.2916 0 1 18.91 12.58 -8.52 19.52 12.09 -8.22 19.09 12.46 -8.02 0.36 0.2916 0 1 19.52 12.09 -8.22 19.09 12.46 -8.02 19.72 11.98 -7.73 0.36 0.2916 0 1 19.09 12.46 -8.02 19.72 11.98 -7.73 19.28 12.33 -7.51 0.36 0.2916 0 1 19.72 11.98 -7.73 19.28 12.33 -7.51 19.94 11.87 -7.24 0.36 0.2916 0 1 19.28 12.33 -7.51 19.94 11.87 -7.24 19.49 12.18 -7.01 0.36 0.2916 0 1 19.94 11.87 -7.24 19.49 12.18 -7.01 20.16 11.75 -6.75 0.36 0.2916 0 1 19.49 12.18 -7.01 20.16 11.75 -6.75 19.71 12.04 -6.52 0.36 0.2916 0 1 20.16 11.75 -6.75 19.71 12.04 -6.52 20.40 11.63 -6.27 0.36 0.2916 0 1 19.71 12.04 -6.52 20.40 11.63 -6.27 19.93 11.90 -6.03 0.36 0.2916 0 1 20.40 11.63 -6.27 19.93 11.90 -6.03 20.65 11.51 -5.80 0.36 0.2916 0 1 19.93 11.90 -6.03 20.65 11.51 -5.80 20.18 11.76 -5.54 0.36 0.2916 0 1 20.65 11.51 -5.80 20.18 11.76 -5.54 20.92 11.41 -5.33 0.36 0.2916 0 1 20.18 11.76 -5.54 20.92 11.41 -5.33 20.43 11.63 -5.06 0.36 0.2916 0 1 20.92 11.41 -5.33 20.43 11.63 -5.06 21.18 11.32 -4.85 0.36 0.2916 0 1 20.43 11.63 -5.06 21.18 11.32 -4.85 20.69 11.53 -4.57 0.36 0.2916 0 1 21.18 11.32 -4.85 20.69 11.53 -4.57 21.45 11.23 -4.38 0.36 0.2916 0 1 20.69 11.53 -4.57 21.45 11.23 -4.38 20.97 11.43 -4.10 0.36 0.2916 0 1 21.45 11.23 -4.38 20.97 11.43 -4.10 21.74 11.15 -3.92 0.36 0.2916 0 1 20.97 11.43 -4.10 21.74 11.15 -3.92 21.25 11.33 -3.62 0.36 0.2916 0 1 21.74 11.15 -3.92 21.25 11.33 -3.62 22.04 11.07 -3.45 0.36 0.2916 0 1 21.25 11.33 -3.62 22.04 11.07 -3.45 21.55 11.24 -3.15 0.36 0.2916 0 1 22.04 11.07 -3.45 21.55 11.24 -3.15 22.35 10.99 -2.98 0.36 0.2916 0 1 21.55 11.24 -3.15 22.35 10.99 -2.98 21.86 11.14 -2.68 0.36 0.2916 0 1 22.35 10.99 -2.98 21.86 11.14 -2.68 22.66 10.91 -2.50 0.36 0.2916 0 1 21.86 11.14 -2.68 22.66 10.91 -2.50 22.16 11.05 -2.19 0.36 0.2916 0 1 22.85 13.46 -2.21 23.34 13.31 -2.52 22.71 12.98 -2.21 0.36 0.2916 0 1 22.71 12.98 -2.21 23.34 13.31 -2.52 23.21 12.83 -2.52 0.36 0.2916 0 1 22.52 10.43 -2.50 22.03 10.57 -2.19 22.66 10.91 -2.50 0.36 0.2916 0 1 22.66 10.91 -2.50 22.03 10.57 -2.19 22.16 11.05 -2.19 0.36 0.2916 0 1 20.47 11.65 -16.35 20.79 11.36 -15.93 19.19 10.24 -15.51 0.36 0.2916 0 1 19.19 10.24 -15.51 18.87 10.54 -15.92 20.47 11.65 -16.35 0.36 0.2916 0 1 23.34 13.31 -2.52 22.85 13.46 -2.21 24.05 12.37 -1.02 0.36 0.2916 0 1 22.85 13.46 -2.21 24.05 12.37 -1.02 23.56 12.51 -0.71 0.36 0.2916 0 1 24.05 12.37 -1.02 23.56 12.51 -0.71 24.76 11.42 0.49 0.36 0.2916 0 1 23.56 12.51 -0.71 24.76 11.42 0.49 24.27 11.57 0.81 0.36 0.2916 0 1 22.52 10.43 -2.50 22.03 10.57 -2.19 23.64 10.92 -1.00 0.36 0.2916 0 1 22.03 10.57 -2.19 23.64 10.92 -1.00 23.15 11.07 -0.68 0.36 0.2916 0 1 23.64 10.92 -1.00 23.15 11.07 -0.68 24.76 11.42 0.49 0.36 0.2916 0 1 23.15 11.07 -0.68 24.76 11.42 0.49 24.27 11.57 0.81 0.36 0.2916 0 3 24.52 11.49 0.65 0.20 24.72 11.54 0.85 0.20 1 0.81 0 3 24.72 11.54 0.85 0.20 24.95 11.62 1.01 0.20 1 0.81 0 3 24.95 11.62 1.01 0.20 25.19 11.72 1.13 0.20 1 0.81 0 3 25.19 11.72 1.13 0.20 25.44 11.83 1.22 0.20 1 0.81 0 3 25.44 11.83 1.22 0.20 25.71 11.95 1.29 0.20 1 0.81 0 3 25.71 11.95 1.29 0.20 25.97 12.07 1.34 0.20 1 0.81 0 3 25.97 12.07 1.34 0.20 26.24 12.18 1.39 0.20 1 0.81 0 3 26.24 12.18 1.39 0.20 26.50 12.27 1.43 0.20 1 0.81 0 3 26.50 12.27 1.43 0.20 26.75 12.35 1.48 0.20 1 0.81 0 3 26.75 12.35 1.48 0.20 26.99 12.39 1.54 0.20 1 0.81 0 3 26.99 12.39 1.54 0.20 27.21 12.40 1.61 0.20 1 0.81 0 3 27.21 12.40 1.61 0.20 27.44 12.40 1.68 0.20 1 0.81 0 3 27.44 12.40 1.68 0.20 27.66 12.38 1.76 0.20 1 0.81 0 3 27.66 12.38 1.76 0.20 27.87 12.35 1.83 0.20 1 0.81 0 3 27.87 12.35 1.83 0.20 28.08 12.31 1.89 0.20 1 0.81 0 3 28.08 12.31 1.89 0.20 28.29 12.25 1.95 0.20 1 0.81 0 3 28.29 12.25 1.95 0.20 28.50 12.19 1.99 0.20 1 0.81 0 3 28.50 12.19 1.99 0.20 28.70 12.12 2.02 0.20 1 0.81 0 3 28.70 12.12 2.02 0.20 28.90 12.04 2.03 0.20 1 0.81 0 3 28.90 12.04 2.03 0.20 29.10 11.96 2.02 0.20 1 0.81 0 3 29.10 11.96 2.02 0.20 29.29 11.87 1.99 0.20 1 0.81 0 3 29.29 11.87 1.99 0.20 29.49 11.77 1.95 0.20 1 0.81 0 3 29.49 11.77 1.95 0.20 29.69 11.65 1.89 0.20 1 0.81 0 3 29.69 11.65 1.89 0.20 29.88 11.53 1.82 0.20 1 0.81 0 3 29.88 11.53 1.82 0.20 30.07 11.40 1.74 0.20 1 0.81 0 3 30.07 11.40 1.74 0.20 30.26 11.26 1.64 0.20 1 0.81 0 3 30.26 11.26 1.64 0.20 30.44 11.13 1.53 0.20 1 0.81 0 3 30.44 11.13 1.53 0.20 30.61 11.01 1.41 0.20 1 0.81 0 3 30.61 11.01 1.41 0.20 30.77 10.89 1.29 0.20 1 0.81 0 3 30.77 10.89 1.29 0.20 30.92 10.79 1.15 0.20 1 0.81 0 3 30.92 10.79 1.15 0.20 31.07 10.70 0.99 0.20 1 0.81 0 3 31.07 10.70 0.99 0.20 31.21 10.61 0.81 0.20 1 0.81 0 3 31.21 10.61 0.81 0.20 31.35 10.52 0.62 0.20 1 0.81 0 3 31.35 10.52 0.62 0.20 31.49 10.44 0.41 0.20 1 0.81 0 3 31.49 10.44 0.41 0.20 31.62 10.36 0.20 0.20 1 0.81 0 3 31.62 10.36 0.20 0.20 31.73 10.28 -0.02 0.20 1 0.81 0 3 31.73 10.28 -0.02 0.20 31.83 10.22 -0.24 0.20 1 0.81 0 3 31.83 10.22 -0.24 0.20 31.91 10.16 -0.45 0.20 1 0.81 0 3 31.91 10.16 -0.45 0.20 31.97 10.12 -0.66 0.20 1 0.81 0 3 31.97 10.12 -0.66 0.20 32.00 10.08 -0.84 0.20 1 0.81 0 3 32.00 10.08 -0.84 0.20 32.01 10.06 -1.02 0.20 1 0.81 0 3 32.01 10.06 -1.02 0.20 32.01 10.04 -1.20 0.20 1 0.81 0 3 32.01 10.04 -1.20 0.20 31.98 10.03 -1.38 0.20 1 0.81 0 3 31.98 10.03 -1.38 0.20 31.94 10.04 -1.56 0.20 1 0.81 0 3 31.94 10.04 -1.56 0.20 31.88 10.05 -1.73 0.20 1 0.81 0 3 31.88 10.05 -1.73 0.20 31.80 10.06 -1.90 0.20 1 0.81 0 3 31.80 10.06 -1.90 0.20 31.71 10.08 -2.05 0.20 1 0.81 0 3 31.71 10.08 -2.05 0.20 31.60 10.11 -2.19 0.20 1 0.81 0 3 31.60 10.11 -2.19 0.20 31.48 10.14 -2.32 0.20 1 0.81 0 3 31.48 10.14 -2.32 0.20 31.33 10.18 -2.44 0.20 1 0.81 0 3 31.33 10.18 -2.44 0.20 31.17 10.23 -2.54 0.20 1 0.81 0 3 31.17 10.23 -2.54 0.20 30.97 10.32 -2.63 0.20 1 0.81 0 3 30.97 10.32 -2.63 0.20 30.75 10.43 -2.70 0.20 1 0.81 0 3 30.75 10.43 -2.70 0.20 30.52 10.56 -2.77 0.20 1 0.81 0 3 30.52 10.56 -2.77 0.20 30.26 10.67 -2.83 0.20 1 0.81 0 3 30.26 10.67 -2.83 0.20 30.01 10.78 -2.87 0.20 1 0.81 0 3 30.01 10.78 -2.87 0.20 29.74 10.85 -2.91 0.20 1 0.81 0 3 29.74 10.85 -2.91 0.20 29.48 10.89 -2.94 0.20 1 0.81 0 3 29.48 10.89 -2.94 0.20 29.23 10.88 -2.95 0.20 1 0.81 0 3 29.23 10.88 -2.95 0.20 28.99 10.80 -2.96 0.20 1 0.81 0 1 29.55 10.07 -3.46 28.66 11.16 -2.04 29.25 9.83 -3.44 1 0.81 0 7 0.369 -0.610 0.702 0.369 -0.610 0.702 0.334 -0.589 0.728 1 28.66 11.16 -2.04 29.25 9.83 -3.44 28.36 10.99 -2.09 1 0.81 0 7 0.369 -0.610 0.702 0.334 -0.589 0.728 0.334 -0.589 0.728 1 29.25 9.83 -3.44 28.36 10.99 -2.09 28.85 9.49 -3.43 1 0.81 0 7 0.334 -0.589 0.728 0.334 -0.589 0.728 0.299 -0.568 0.754 1 28.36 10.99 -2.09 28.85 9.49 -3.43 27.95 10.73 -2.14 1 0.81 0 7 0.334 -0.589 0.728 0.299 -0.568 0.754 0.299 -0.568 0.754 1 28.85 9.49 -3.43 27.95 10.73 -2.14 28.37 9.11 -3.43 1 0.81 0 7 0.299 -0.568 0.754 0.299 -0.568 0.754 0.265 -0.547 0.781 1 27.95 10.73 -2.14 28.37 9.11 -3.43 27.48 10.42 -2.21 1 0.81 0 7 0.299 -0.568 0.754 0.265 -0.547 0.781 0.265 -0.547 0.781 1 28.37 9.11 -3.43 27.48 10.42 -2.21 27.85 8.71 -3.42 1 0.81 0 7 0.265 -0.547 0.781 0.265 -0.547 0.781 0.230 -0.526 0.807 1 27.48 10.42 -2.21 27.85 8.71 -3.42 26.96 10.09 -2.27 1 0.81 0 7 0.265 -0.547 0.781 0.230 -0.526 0.807 0.230 -0.526 0.807 1 27.85 8.71 -3.42 26.96 10.09 -2.27 27.32 8.34 -3.42 1 0.81 0 7 0.230 -0.526 0.807 0.230 -0.526 0.807 0.195 -0.505 0.834 1 26.96 10.09 -2.27 27.32 8.34 -3.42 26.44 9.78 -2.35 1 0.81 0 7 0.230 -0.526 0.807 0.195 -0.505 0.834 0.195 -0.505 0.834 1 27.32 8.34 -3.42 26.44 9.78 -2.35 26.81 8.04 -3.43 1 0.81 0 7 0.195 -0.505 0.834 0.195 -0.505 0.834 0.161 -0.484 0.860 1 26.44 9.78 -2.35 26.81 8.04 -3.43 25.95 9.54 -2.42 1 0.81 0 7 0.195 -0.505 0.834 0.161 -0.484 0.860 0.161 -0.484 0.860 1 26.81 8.04 -3.43 25.95 9.54 -2.42 26.30 7.79 -3.42 1 0.81 0 7 0.161 -0.484 0.860 0.161 -0.484 0.860 0.113 -0.451 0.875 1 25.95 9.54 -2.42 26.30 7.79 -3.42 25.49 9.37 -2.50 1 0.81 0 7 0.161 -0.484 0.860 0.113 -0.451 0.875 0.113 -0.451 0.875 1 26.30 7.79 -3.42 25.49 9.37 -2.50 25.78 7.57 -3.42 1 0.81 0 7 0.113 -0.451 0.875 0.113 -0.451 0.875 0.066 -0.417 0.890 1 25.49 9.37 -2.50 25.78 7.57 -3.42 25.02 9.22 -2.58 1 0.81 0 7 0.113 -0.451 0.875 0.066 -0.417 0.890 0.066 -0.417 0.890 1 25.78 7.57 -3.42 25.02 9.22 -2.58 25.24 7.37 -3.41 1 0.81 0 7 0.066 -0.417 0.890 0.066 -0.417 0.890 0.019 -0.384 0.905 1 25.02 9.22 -2.58 25.24 7.37 -3.41 24.56 9.10 -2.67 1 0.81 0 7 0.066 -0.417 0.890 0.019 -0.384 0.905 0.019 -0.384 0.905 1 25.24 7.37 -3.41 24.56 9.10 -2.67 24.70 7.21 -3.42 1 0.81 0 7 0.019 -0.384 0.905 0.019 -0.384 0.905 -0.029 -0.351 0.921 1 24.56 9.10 -2.67 24.70 7.21 -3.42 24.09 8.99 -2.76 1 0.81 0 7 0.019 -0.384 0.905 -0.029 -0.351 0.921 -0.029 -0.351 0.921 1 24.70 7.21 -3.42 24.09 8.99 -2.76 24.15 7.07 -3.44 1 0.81 0 7 -0.029 -0.351 0.921 -0.029 -0.351 0.921 -0.076 -0.317 0.936 1 24.09 8.99 -2.76 24.15 7.07 -3.44 23.63 8.91 -2.85 1 0.81 0 7 -0.029 -0.351 0.921 -0.076 -0.317 0.936 -0.076 -0.317 0.936 1 24.15 7.07 -3.44 23.63 8.91 -2.85 23.61 6.96 -3.47 1 0.81 0 7 -0.076 -0.317 0.936 -0.076 -0.317 0.936 -0.123 -0.284 0.951 1 23.63 8.91 -2.85 23.61 6.96 -3.47 23.18 8.85 -2.96 1 0.81 0 7 -0.076 -0.317 0.936 -0.123 -0.284 0.951 -0.123 -0.284 0.951 1 23.61 6.96 -3.47 23.18 8.85 -2.96 23.09 6.89 -3.52 1 0.81 0 7 -0.123 -0.284 0.951 -0.123 -0.284 0.951 -0.180 -0.242 0.940 1 23.18 8.85 -2.96 23.09 6.89 -3.52 22.72 8.81 -3.09 1 0.81 0 7 -0.123 -0.284 0.951 -0.180 -0.242 0.940 -0.180 -0.242 0.940 1 23.09 6.89 -3.52 22.72 8.81 -3.09 22.55 6.85 -3.57 1 0.81 0 7 -0.180 -0.242 0.940 -0.180 -0.242 0.940 -0.237 -0.200 0.929 1 22.72 8.81 -3.09 22.55 6.85 -3.57 22.26 8.80 -3.22 1 0.81 0 7 -0.180 -0.242 0.940 -0.237 -0.200 0.929 -0.237 -0.200 0.929 1 22.55 6.85 -3.57 22.26 8.80 -3.22 22.01 6.84 -3.63 1 0.81 0 7 -0.237 -0.200 0.929 -0.237 -0.200 0.929 -0.294 -0.158 0.918 1 22.26 8.80 -3.22 22.01 6.84 -3.63 21.80 8.81 -3.36 1 0.81 0 7 -0.237 -0.200 0.929 -0.294 -0.158 0.918 -0.294 -0.158 0.918 1 22.01 6.84 -3.63 21.80 8.81 -3.36 21.48 6.85 -3.72 1 0.81 0 7 -0.294 -0.158 0.918 -0.294 -0.158 0.918 -0.351 -0.116 0.907 1 21.80 8.81 -3.36 21.48 6.85 -3.72 21.37 8.84 -3.51 1 0.81 0 7 -0.294 -0.158 0.918 -0.351 -0.116 0.907 -0.351 -0.116 0.907 1 21.48 6.85 -3.72 21.37 8.84 -3.51 20.96 6.88 -3.84 1 0.81 0 7 -0.351 -0.116 0.907 -0.351 -0.116 0.907 -0.407 -0.075 0.896 1 21.37 8.84 -3.51 20.96 6.88 -3.84 20.95 8.87 -3.68 1 0.81 0 7 -0.351 -0.116 0.907 -0.407 -0.075 0.896 -0.407 -0.075 0.896 1 20.96 6.88 -3.84 20.95 8.87 -3.68 20.48 6.92 -4.01 1 0.81 0 7 -0.407 -0.075 0.896 -0.407 -0.075 0.896 -0.464 -0.033 0.885 1 20.95 8.87 -3.68 20.48 6.92 -4.01 20.56 8.91 -3.89 1 0.81 0 7 -0.407 -0.075 0.896 -0.464 -0.033 0.885 -0.464 -0.033 0.885 1 20.48 6.92 -4.01 20.56 8.91 -3.89 20.04 6.96 -4.26 1 0.81 0 7 -0.464 -0.033 0.885 -0.464 -0.033 0.885 -0.518 -0.018 0.840 1 20.56 8.91 -3.89 20.04 6.96 -4.26 20.18 8.96 -4.13 1 0.81 0 7 -0.464 -0.033 0.885 -0.518 -0.018 0.840 -0.518 -0.018 0.840 1 20.04 6.96 -4.26 20.18 8.96 -4.13 19.63 7.03 -4.53 1 0.81 0 7 -0.518 -0.018 0.840 -0.518 -0.018 0.840 -0.573 -0.002 0.794 1 20.18 8.96 -4.13 19.63 7.03 -4.53 19.81 9.01 -4.40 1 0.81 0 7 -0.518 -0.018 0.840 -0.573 -0.002 0.794 -0.573 -0.002 0.794 1 19.63 7.03 -4.53 19.81 9.01 -4.40 19.24 7.10 -4.85 1 0.81 0 7 -0.573 -0.002 0.794 -0.573 -0.002 0.794 -0.627 0.013 0.748 1 19.81 9.01 -4.40 19.24 7.10 -4.85 19.46 9.08 -4.69 1 0.81 0 7 -0.573 -0.002 0.794 -0.627 0.013 0.748 -0.627 0.013 0.748 1 19.24 7.10 -4.85 19.46 9.08 -4.69 18.86 7.19 -5.19 1 0.81 0 7 -0.627 0.013 0.748 -0.627 0.013 0.748 -0.681 0.028 0.703 1 19.46 9.08 -4.69 18.86 7.19 -5.19 19.13 9.17 -5.01 1 0.81 0 7 -0.627 0.013 0.748 -0.681 0.028 0.703 -0.681 0.028 0.703 1 18.86 7.19 -5.19 19.13 9.17 -5.01 18.51 7.29 -5.57 1 0.81 0 7 -0.681 0.028 0.703 -0.681 0.028 0.703 -0.735 0.043 0.657 1 19.13 9.17 -5.01 18.51 7.29 -5.57 18.81 9.25 -5.36 1 0.81 0 7 -0.681 0.028 0.703 -0.735 0.043 0.657 -0.735 0.043 0.657 1 18.51 7.29 -5.57 18.81 9.25 -5.36 18.18 7.39 -5.97 1 0.81 0 7 -0.735 0.043 0.657 -0.735 0.043 0.657 -0.789 0.058 0.611 1 18.81 9.25 -5.36 18.18 7.39 -5.97 18.51 9.35 -5.73 1 0.81 0 7 -0.735 0.043 0.657 -0.789 0.058 0.611 -0.789 0.058 0.611 1 18.18 7.39 -5.97 18.51 9.35 -5.73 17.87 7.51 -6.39 1 0.81 0 7 -0.789 0.058 0.611 -0.789 0.058 0.611 -0.802 0.084 0.585 1 18.51 9.35 -5.73 17.87 7.51 -6.39 18.25 9.46 -6.15 1 0.81 0 7 -0.789 0.058 0.611 -0.802 0.084 0.585 -0.802 0.084 0.585 1 17.87 7.51 -6.39 18.25 9.46 -6.15 17.59 7.64 -6.84 1 0.81 0 7 -0.802 0.084 0.585 -0.802 0.084 0.585 -0.814 0.110 0.559 1 18.25 9.46 -6.15 17.59 7.64 -6.84 18.01 9.58 -6.61 1 0.81 0 7 -0.802 0.084 0.585 -0.814 0.110 0.559 -0.814 0.110 0.559 1 17.59 7.64 -6.84 18.01 9.58 -6.61 17.33 7.77 -7.33 1 0.81 0 7 -0.814 0.110 0.559 -0.814 0.110 0.559 -0.827 0.136 0.534 1 18.01 9.58 -6.61 17.33 7.77 -7.33 17.80 9.70 -7.10 1 0.81 0 7 -0.814 0.110 0.559 -0.827 0.136 0.534 -0.827 0.136 0.534 1 17.33 7.77 -7.33 17.80 9.70 -7.10 17.08 7.92 -7.83 1 0.81 0 7 -0.827 0.136 0.534 -0.827 0.136 0.534 -0.839 0.163 0.508 1 17.80 9.70 -7.10 17.08 7.92 -7.83 17.59 9.84 -7.61 1 0.81 0 7 -0.827 0.136 0.534 -0.839 0.163 0.508 -0.839 0.163 0.508 1 17.08 7.92 -7.83 17.59 9.84 -7.61 16.83 8.06 -8.35 1 0.81 0 7 -0.839 0.163 0.508 -0.839 0.163 0.508 -0.851 0.189 0.482 1 17.59 9.84 -7.61 16.83 8.06 -8.35 17.38 9.97 -8.12 1 0.81 0 7 -0.839 0.163 0.508 -0.851 0.189 0.482 -0.851 0.189 0.482 1 16.83 8.06 -8.35 17.38 9.97 -8.12 16.58 8.21 -8.86 1 0.81 0 7 -0.851 0.189 0.482 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0.465 -0.808 0.344 0.468 1 16.64 10.53 -10.20 15.61 8.87 -10.88 16.46 10.68 -10.74 1 0.81 0 7 -0.822 0.311 0.465 -0.808 0.344 0.468 -0.808 0.344 0.468 1 15.61 8.87 -10.88 16.46 10.68 -10.74 15.37 9.04 -11.38 1 0.81 0 7 -0.808 0.344 0.468 -0.808 0.344 0.468 -0.794 0.376 0.471 1 16.46 10.68 -10.74 15.37 9.04 -11.38 16.28 10.82 -11.27 1 0.81 0 7 -0.808 0.344 0.468 -0.794 0.376 0.471 -0.794 0.376 0.471 1 15.37 9.04 -11.38 16.28 10.82 -11.27 15.13 9.22 -11.89 1 0.81 0 7 -0.794 0.376 0.471 -0.794 0.376 0.471 -0.781 0.408 0.473 1 16.28 10.82 -11.27 15.13 9.22 -11.89 16.09 10.97 -11.80 1 0.81 0 7 -0.794 0.376 0.471 -0.781 0.408 0.473 -0.781 0.408 0.473 1 15.13 9.22 -11.89 16.09 10.97 -11.80 14.89 9.38 -12.38 1 0.81 0 7 -0.781 0.408 0.473 -0.781 0.408 0.473 -0.768 0.416 0.485 1 16.09 10.97 -11.80 14.89 9.38 -12.38 15.88 11.12 -12.31 1 0.81 0 7 -0.781 0.408 0.473 -0.768 0.416 0.485 -0.768 0.416 0.485 1 14.89 9.38 -12.38 15.88 11.12 -12.31 14.65 9.54 -12.88 1 0.81 0 7 -0.768 0.416 0.485 -0.768 0.416 0.485 -0.755 0.425 0.497 1 15.88 11.12 -12.31 14.65 9.54 -12.88 15.66 11.27 -12.82 1 0.81 0 7 -0.768 0.416 0.485 -0.755 0.425 0.497 -0.755 0.425 0.497 1 14.65 9.54 -12.88 15.66 11.27 -12.82 14.40 9.70 -13.37 1 0.81 0 7 -0.755 0.425 0.497 -0.755 0.425 0.497 -0.742 0.433 0.509 1 15.66 11.27 -12.82 14.40 9.70 -13.37 15.43 11.42 -13.33 1 0.81 0 7 -0.755 0.425 0.497 -0.742 0.433 0.509 -0.742 0.433 0.509 1 14.40 9.70 -13.37 15.43 11.42 -13.33 14.15 9.87 -13.86 1 0.81 0 7 -0.742 0.433 0.509 -0.742 0.433 0.509 -0.729 0.441 0.521 1 15.43 11.42 -13.33 14.15 9.87 -13.86 15.20 11.57 -13.83 1 0.81 0 7 -0.742 0.433 0.509 -0.729 0.441 0.521 -0.729 0.441 0.521 1 14.15 9.87 -13.86 15.20 11.57 -13.83 13.89 10.04 -14.34 1 0.81 0 7 -0.729 0.441 0.521 -0.729 0.441 0.521 -0.716 0.450 0.533 1 15.20 11.57 -13.83 13.89 10.04 -14.34 14.97 11.73 -14.33 1 0.81 0 7 -0.729 0.441 0.521 -0.716 0.450 0.533 -0.716 0.450 0.533 1 13.89 10.04 -14.34 14.97 11.73 -14.33 13.63 10.22 -14.82 1 0.81 0 7 -0.716 0.450 0.533 -0.716 0.450 0.533 -0.703 0.458 0.544 1 14.97 11.73 -14.33 13.63 10.22 -14.82 14.72 11.89 -14.82 1 0.81 0 7 -0.716 0.450 0.533 -0.703 0.458 0.544 -0.703 0.458 0.544 1 13.36 9.80 -14.82 14.99 12.31 -14.82 12.90 10.99 -16.24 1 0.81 0 7 -0.703 0.458 0.544 -0.703 0.458 0.544 -0.687 0.457 0.565 1 14.99 12.31 -14.82 12.90 10.99 -16.24 13.73 12.24 -16.25 1 0.81 0 7 -0.703 0.458 0.544 -0.687 0.457 0.565 -0.687 0.457 0.565 1 12.90 10.99 -16.24 13.73 12.24 -16.25 12.45 12.17 -17.66 1 0.81 0 1 29.33 10.43 -3.88 28.44 11.53 -2.46 29.05 10.18 -3.88 1 0.81 0 7 -0.369 0.610 -0.702 -0.369 0.610 -0.702 -0.334 0.589 -0.728 1 28.44 11.53 -2.46 29.05 10.18 -3.88 28.16 11.35 -2.52 1 0.81 0 7 -0.369 0.610 -0.702 -0.334 0.589 -0.728 -0.334 0.589 -0.728 1 29.05 10.18 -3.88 28.16 11.35 -2.52 28.67 9.83 -3.88 1 0.81 0 7 -0.334 0.589 -0.728 -0.334 0.589 -0.728 -0.299 0.568 -0.754 1 28.16 11.35 -2.52 28.67 9.83 -3.88 27.77 11.07 -2.59 1 0.81 0 7 -0.334 0.589 -0.728 -0.299 0.568 -0.754 -0.299 0.568 -0.754 1 28.67 9.83 -3.88 27.77 11.07 -2.59 28.21 9.44 -3.89 1 0.81 0 7 -0.299 0.568 -0.754 -0.299 0.568 -0.754 -0.265 0.547 -0.781 1 27.77 11.07 -2.59 28.21 9.44 -3.89 27.32 10.74 -2.67 1 0.81 0 7 -0.299 0.568 -0.754 -0.265 0.547 -0.781 -0.265 0.547 -0.781 1 28.21 9.44 -3.89 27.32 10.74 -2.67 27.71 9.03 -3.91 1 0.81 0 7 -0.265 0.547 -0.781 -0.265 0.547 -0.781 -0.230 0.526 -0.807 1 27.32 10.74 -2.67 27.71 9.03 -3.91 26.82 10.40 -2.76 1 0.81 0 7 -0.265 0.547 -0.781 -0.230 0.526 -0.807 -0.230 0.526 -0.807 1 27.71 9.03 -3.91 26.82 10.40 -2.76 27.20 8.64 -3.92 1 0.81 0 7 -0.230 0.526 -0.807 -0.230 0.526 -0.807 -0.195 0.505 -0.834 1 26.82 10.40 -2.76 27.20 8.64 -3.92 26.33 10.08 -2.85 1 0.81 0 7 -0.230 0.526 -0.807 -0.195 0.505 -0.834 -0.195 0.505 -0.834 1 27.20 8.64 -3.92 26.33 10.08 -2.85 26.71 8.33 -3.94 1 0.81 0 7 -0.195 0.505 -0.834 -0.195 0.505 -0.834 -0.161 0.484 -0.860 1 26.33 10.08 -2.85 26.71 8.33 -3.94 25.86 9.83 -2.94 1 0.81 0 7 -0.195 0.505 -0.834 -0.161 0.484 -0.860 -0.161 0.484 -0.860 1 26.71 8.33 -3.94 25.86 9.83 -2.94 26.23 8.06 -3.95 1 0.81 0 7 -0.161 0.484 -0.860 -0.161 0.484 -0.860 -0.113 0.451 -0.875 1 25.86 9.83 -2.94 26.23 8.06 -3.95 25.42 9.64 -3.03 1 0.81 0 7 -0.161 0.484 -0.860 -0.113 0.451 -0.875 -0.113 0.451 -0.875 1 26.23 8.06 -3.95 25.42 9.64 -3.03 25.74 7.82 -3.95 1 0.81 0 7 -0.113 0.451 -0.875 -0.113 0.451 -0.875 -0.066 0.417 -0.890 1 25.42 9.64 -3.03 25.74 7.82 -3.95 24.99 9.47 -3.12 1 0.81 0 7 -0.113 0.451 -0.875 -0.066 0.417 -0.890 -0.066 0.417 -0.890 1 25.74 7.82 -3.95 24.99 9.47 -3.12 25.23 7.60 -3.96 1 0.81 0 7 -0.066 0.417 -0.890 -0.066 0.417 -0.890 -0.019 0.384 -0.905 1 24.99 9.47 -3.12 25.23 7.60 -3.96 24.54 9.33 -3.21 1 0.81 0 7 -0.066 0.417 -0.890 -0.019 0.384 -0.905 -0.019 0.384 -0.905 1 25.23 7.60 -3.96 24.54 9.33 -3.21 24.71 7.42 -3.97 1 0.81 0 7 -0.019 0.384 -0.905 -0.019 0.384 -0.905 0.029 0.351 -0.921 1 24.54 9.33 -3.21 24.71 7.42 -3.97 24.11 9.20 -3.31 1 0.81 0 7 -0.019 0.384 -0.905 0.029 0.351 -0.921 0.029 0.351 -0.921 1 24.71 7.42 -3.97 24.11 9.20 -3.31 24.20 7.26 -4.00 1 0.81 0 7 0.029 0.351 -0.921 0.029 0.351 -0.921 0.076 0.317 -0.936 1 24.11 9.20 -3.31 24.20 7.26 -4.00 23.68 9.10 -3.42 1 0.81 0 7 0.029 0.351 -0.921 0.076 0.317 -0.936 0.076 0.317 -0.936 1 24.20 7.26 -4.00 23.68 9.10 -3.42 23.69 7.13 -4.04 1 0.81 0 7 0.076 0.317 -0.936 0.076 0.317 -0.936 0.123 0.284 -0.951 1 23.68 9.10 -3.42 23.69 7.13 -4.04 23.26 9.02 -3.53 1 0.81 0 7 0.076 0.317 -0.936 0.123 0.284 -0.951 0.123 0.284 -0.951 1 23.69 7.13 -4.04 23.26 9.02 -3.53 23.19 7.04 -4.08 1 0.81 0 7 0.123 0.284 -0.951 0.123 0.284 -0.951 0.180 0.242 -0.940 1 23.26 9.02 -3.53 23.19 7.04 -4.08 22.83 8.96 -3.66 1 0.81 0 7 0.123 0.284 -0.951 0.180 0.242 -0.940 0.180 0.242 -0.940 1 23.19 7.04 -4.08 22.83 8.96 -3.66 22.69 6.97 -4.12 1 0.81 0 7 0.180 0.242 -0.940 0.180 0.242 -0.940 0.237 0.200 -0.929 1 22.83 8.96 -3.66 22.69 6.97 -4.12 22.40 8.92 -3.78 1 0.81 0 7 0.180 0.242 -0.940 0.237 0.200 -0.929 0.237 0.200 -0.929 1 22.69 6.97 -4.12 22.40 8.92 -3.78 22.19 6.94 -4.18 1 0.81 0 7 0.237 0.200 -0.929 0.237 0.200 -0.929 0.294 0.158 -0.918 1 22.40 8.92 -3.78 22.19 6.94 -4.18 21.98 8.91 -3.91 1 0.81 0 7 0.237 0.200 -0.929 0.294 0.158 -0.918 0.294 0.158 -0.918 1 22.19 6.94 -4.18 21.98 8.91 -3.91 21.69 6.92 -4.26 1 0.81 0 7 0.294 0.158 -0.918 0.294 0.158 -0.918 0.351 0.116 -0.907 1 21.98 8.91 -3.91 21.69 6.92 -4.26 21.58 8.91 -4.05 1 0.81 0 7 0.294 0.158 -0.918 0.351 0.116 -0.907 0.351 0.116 -0.907 1 21.69 6.92 -4.26 21.58 8.91 -4.05 21.21 6.92 -4.38 1 0.81 0 7 0.351 0.116 -0.907 0.351 0.116 -0.907 0.407 0.075 -0.896 1 21.58 8.91 -4.05 21.21 6.92 -4.38 21.19 8.92 -4.22 1 0.81 0 7 0.351 0.116 -0.907 0.407 0.075 -0.896 0.407 0.075 -0.896 1 21.21 6.92 -4.38 21.19 8.92 -4.22 20.75 6.94 -4.54 1 0.81 0 7 0.407 0.075 -0.896 0.407 0.075 -0.896 0.464 0.033 -0.885 1 21.19 8.92 -4.22 20.75 6.94 -4.54 20.84 8.93 -4.42 1 0.81 0 7 0.407 0.075 -0.896 0.464 0.033 -0.885 0.464 0.033 -0.885 1 20.75 6.94 -4.54 20.84 8.93 -4.42 20.35 6.98 -4.76 1 0.81 0 7 0.464 0.033 -0.885 0.464 0.033 -0.885 0.518 0.018 -0.840 1 20.84 8.93 -4.42 20.35 6.98 -4.76 20.49 8.97 -4.64 1 0.81 0 7 0.464 0.033 -0.885 0.518 0.018 -0.840 0.518 0.018 -0.840 1 20.35 6.98 -4.76 20.49 8.97 -4.64 19.97 7.03 -5.01 1 0.81 0 7 0.518 0.018 -0.840 0.518 0.018 -0.840 0.573 0.002 -0.794 1 20.49 8.97 -4.64 19.97 7.03 -5.01 20.15 9.02 -4.87 1 0.81 0 7 0.518 0.018 -0.840 0.573 0.002 -0.794 0.573 0.002 -0.794 1 19.97 7.03 -5.01 20.15 9.02 -4.87 19.61 7.10 -5.29 1 0.81 0 7 0.573 0.002 -0.794 0.573 0.002 -0.794 0.627 -0.013 -0.748 1 20.15 9.02 -4.87 19.61 7.10 -5.29 19.84 9.08 -5.14 1 0.81 0 7 0.573 0.002 -0.794 0.627 -0.013 -0.748 0.627 -0.013 -0.748 1 19.61 7.10 -5.29 19.84 9.08 -5.14 19.27 7.17 -5.61 1 0.81 0 7 0.627 -0.013 -0.748 0.627 -0.013 -0.748 0.681 -0.028 -0.703 1 19.84 9.08 -5.14 19.27 7.17 -5.61 19.54 9.15 -5.43 1 0.81 0 7 0.627 -0.013 -0.748 0.681 -0.028 -0.703 0.681 -0.028 -0.703 1 19.27 7.17 -5.61 19.54 9.15 -5.43 18.95 7.26 -5.96 1 0.81 0 7 0.681 -0.028 -0.703 0.681 -0.028 -0.703 0.735 -0.043 -0.657 1 19.54 9.15 -5.43 18.95 7.26 -5.96 19.25 9.23 -5.75 1 0.81 0 7 0.681 -0.028 -0.703 0.735 -0.043 -0.657 0.735 -0.043 -0.657 1 18.95 7.26 -5.96 19.25 9.23 -5.75 18.65 7.36 -6.34 1 0.81 0 7 0.735 -0.043 -0.657 0.735 -0.043 -0.657 0.789 -0.058 -0.611 1 19.25 9.23 -5.75 18.65 7.36 -6.34 18.98 9.31 -6.10 1 0.81 0 7 0.735 -0.043 -0.657 0.789 -0.058 -0.611 0.789 -0.058 -0.611 1 18.65 7.36 -6.34 18.98 9.31 -6.10 18.36 7.46 -6.74 1 0.81 0 7 0.789 -0.058 -0.611 0.789 -0.058 -0.611 0.802 -0.084 -0.585 1 18.98 9.31 -6.10 18.36 7.46 -6.74 18.73 9.41 -6.50 1 0.81 0 7 0.789 -0.058 -0.611 0.802 -0.084 -0.585 0.802 -0.084 -0.585 1 18.36 7.46 -6.74 18.73 9.41 -6.50 18.08 7.57 -7.18 1 0.81 0 7 0.802 -0.084 -0.585 0.802 -0.084 -0.585 0.814 -0.110 -0.559 1 18.73 9.41 -6.50 18.08 7.57 -7.18 18.50 9.51 -6.95 1 0.81 0 7 0.802 -0.084 -0.585 0.814 -0.110 -0.559 0.814 -0.110 -0.559 1 18.08 7.57 -7.18 18.50 9.51 -6.95 17.83 7.69 -7.65 1 0.81 0 7 0.814 -0.110 -0.559 0.814 -0.110 -0.559 0.827 -0.136 -0.534 1 18.50 9.51 -6.95 17.83 7.69 -7.65 18.29 9.62 -7.42 1 0.81 0 7 0.814 -0.110 -0.559 0.827 -0.136 -0.534 0.827 -0.136 -0.534 1 17.83 7.69 -7.65 18.29 9.62 -7.42 17.58 7.82 -8.14 1 0.81 0 7 0.827 -0.136 -0.534 0.827 -0.136 -0.534 0.839 -0.163 -0.508 1 18.29 9.62 -7.42 17.58 7.82 -8.14 18.09 9.74 -7.91 1 0.81 0 7 0.827 -0.136 -0.534 0.839 -0.163 -0.508 0.839 -0.163 -0.508 1 17.58 7.82 -8.14 18.09 9.74 -7.91 17.34 7.95 -8.64 1 0.81 0 7 0.839 -0.163 -0.508 0.839 -0.163 -0.508 0.851 -0.189 -0.482 1 18.09 9.74 -7.91 17.34 7.95 -8.64 17.89 9.86 -8.40 1 0.81 0 7 0.839 -0.163 -0.508 0.851 -0.189 -0.482 0.851 -0.189 -0.482 1 17.34 7.95 -8.64 17.89 9.86 -8.40 17.10 8.09 -9.13 1 0.81 0 7 0.851 -0.189 -0.482 0.851 -0.189 -0.482 0.864 -0.215 -0.456 1 17.89 9.86 -8.40 17.10 8.09 -9.13 17.69 9.98 -8.89 1 0.81 0 7 0.851 -0.189 -0.482 0.864 -0.215 -0.456 0.864 -0.215 -0.456 1 17.10 8.09 -9.13 17.69 9.98 -8.89 16.84 8.22 -9.63 1 0.81 0 7 0.864 -0.215 -0.456 0.864 -0.215 -0.456 0.850 -0.247 -0.459 1 17.69 9.98 -8.89 16.84 8.22 -9.63 17.50 10.10 -9.41 1 0.81 0 7 0.864 -0.215 -0.456 0.850 -0.247 -0.459 0.850 -0.247 -0.459 1 16.84 8.22 -9.63 17.50 10.10 -9.41 16.59 8.37 -10.13 1 0.81 0 7 0.850 -0.247 -0.459 0.850 -0.247 -0.459 0.836 -0.279 -0.462 1 17.50 10.10 -9.41 16.59 8.37 -10.13 17.31 10.22 -9.94 1 0.81 0 7 0.850 -0.247 -0.459 0.836 -0.279 -0.462 0.836 -0.279 -0.462 1 16.59 8.37 -10.13 17.31 10.22 -9.94 16.34 8.51 -10.64 1 0.81 0 7 0.836 -0.279 -0.462 0.836 -0.279 -0.462 0.822 -0.311 -0.465 1 17.31 10.22 -9.94 16.34 8.51 -10.64 17.13 10.34 -10.48 1 0.81 0 7 0.836 -0.279 -0.462 0.822 -0.311 -0.465 0.822 -0.311 -0.465 1 16.34 8.51 -10.64 17.13 10.34 -10.48 16.10 8.66 -11.16 1 0.81 0 7 0.822 -0.311 -0.465 0.822 -0.311 -0.465 0.808 -0.344 -0.468 1 17.13 10.34 -10.48 16.10 8.66 -11.16 16.95 10.47 -11.02 1 0.81 0 7 0.822 -0.311 -0.465 0.808 -0.344 -0.468 0.808 -0.344 -0.468 1 16.10 8.66 -11.16 16.95 10.47 -11.02 15.85 8.82 -11.67 1 0.81 0 7 0.808 -0.344 -0.468 0.808 -0.344 -0.468 0.794 -0.376 -0.471 1 16.95 10.47 -11.02 15.85 8.82 -11.67 16.76 10.60 -11.56 1 0.81 0 7 0.808 -0.344 -0.468 0.794 -0.376 -0.471 0.794 -0.376 -0.471 1 15.85 8.82 -11.67 16.76 10.60 -11.56 15.59 8.98 -12.17 1 0.81 0 7 0.794 -0.376 -0.471 0.794 -0.376 -0.471 0.781 -0.408 -0.473 1 16.76 10.60 -11.56 15.59 8.98 -12.17 16.56 10.72 -12.08 1 0.81 0 7 0.794 -0.376 -0.471 0.781 -0.408 -0.473 0.781 -0.408 -0.473 1 15.59 8.98 -12.17 16.56 10.72 -12.08 15.35 9.13 -12.67 1 0.81 0 7 0.781 -0.408 -0.473 0.781 -0.408 -0.473 0.768 -0.416 -0.485 1 16.56 10.72 -12.08 15.35 9.13 -12.67 16.34 10.87 -12.60 1 0.81 0 7 0.781 -0.408 -0.473 0.768 -0.416 -0.485 0.768 -0.416 -0.485 1 15.35 9.13 -12.67 16.34 10.87 -12.60 15.10 9.29 -13.18 1 0.81 0 7 0.768 -0.416 -0.485 0.768 -0.416 -0.485 0.755 -0.425 -0.497 1 16.34 10.87 -12.60 15.10 9.29 -13.18 16.11 11.01 -13.12 1 0.81 0 7 0.768 -0.416 -0.485 0.755 -0.425 -0.497 0.755 -0.425 -0.497 1 15.10 9.29 -13.18 16.11 11.01 -13.12 14.85 9.44 -13.68 1 0.81 0 7 0.755 -0.425 -0.497 0.755 -0.425 -0.497 0.742 -0.433 -0.509 1 16.11 11.01 -13.12 14.85 9.44 -13.68 15.88 11.16 -13.63 1 0.81 0 7 0.755 -0.425 -0.497 0.742 -0.433 -0.509 0.742 -0.433 -0.509 1 14.85 9.44 -13.68 15.88 11.16 -13.63 14.59 9.60 -14.17 1 0.81 0 7 0.742 -0.433 -0.509 0.742 -0.433 -0.509 0.729 -0.441 -0.521 1 15.88 11.16 -13.63 14.59 9.60 -14.17 15.64 11.31 -14.14 1 0.81 0 7 0.742 -0.433 -0.509 0.729 -0.441 -0.521 0.729 -0.441 -0.521 1 14.59 9.60 -14.17 15.64 11.31 -14.14 14.32 9.77 -14.66 1 0.81 0 7 0.729 -0.441 -0.521 0.729 -0.441 -0.521 0.716 -0.450 -0.533 1 15.64 11.31 -14.14 14.32 9.77 -14.66 15.39 11.46 -14.65 1 0.81 0 7 0.729 -0.441 -0.521 0.716 -0.450 -0.533 0.716 -0.450 -0.533 1 14.32 9.77 -14.66 15.39 11.46 -14.65 14.05 9.94 -15.15 1 0.81 0 7 0.716 -0.450 -0.533 0.716 -0.450 -0.533 0.703 -0.458 -0.544 1 15.39 11.46 -14.65 14.05 9.94 -15.15 15.14 11.62 -15.15 1 0.81 0 7 0.716 -0.450 -0.533 0.703 -0.458 -0.544 0.703 -0.458 -0.544 1 13.78 9.52 -15.15 15.41 12.04 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0.15 6.19 -32.81 -25.32 0.15 0.04 0.817216 1 3 4.86 -33.84 -23.60 0.15 4.84 -33.62 -23.29 0.15 0.04 0.817216 1 3 6.19 -32.81 -25.32 0.15 6.17 -32.58 -25.00 0.15 0.04 0.817216 1 3 4.84 -33.62 -23.29 0.15 4.77 -33.36 -22.99 0.15 0.04 0.817216 1 3 6.17 -32.58 -25.00 0.15 6.09 -32.33 -24.71 0.15 0.04 0.817216 1 3 4.77 -33.36 -22.99 0.15 4.63 -33.09 -22.72 0.15 0.04 0.817216 1 3 6.09 -32.33 -24.71 0.15 5.96 -32.05 -24.43 0.15 0.04 0.817216 1 3 4.63 -33.09 -22.72 0.15 4.43 -32.79 -22.47 0.15 0.04 0.817216 1 3 5.96 -32.05 -24.43 0.15 5.76 -31.75 -24.18 0.15 0.04 0.817216 1 3 4.43 -32.79 -22.47 0.15 4.19 -32.49 -22.29 0.15 0.04 0.817216 1 3 5.76 -31.75 -24.18 0.15 5.49 -31.47 -23.96 0.15 0.04 0.817216 1 3 4.19 -32.49 -22.29 0.15 3.95 -32.19 -22.21 0.15 0.04 0.817216 1 3 5.49 -31.47 -23.96 0.15 5.18 -31.23 -23.79 0.15 0.04 0.817216 1 3 3.95 -32.19 -22.21 0.15 3.71 -31.89 -22.23 0.15 0.04 0.817216 1 3 5.18 -31.23 -23.79 0.15 4.81 -31.03 -23.65 0.15 0.04 0.817216 1 3 3.71 -31.89 -22.23 0.15 3.45 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5.15 -28.97 -26.70 0.0036 0.286439 0.36 7 0.045 -0.870 -0.492 0.045 -0.870 -0.492 0.197 -0.901 -0.387 1 5.80 -28.73 -27.00 5.15 -28.97 -26.70 5.41 -28.78 -27.01 0.0036 0.286439 0.36 7 0.045 -0.870 -0.492 0.197 -0.901 -0.387 0.197 -0.901 -0.387 1 5.15 -28.97 -26.70 5.41 -28.78 -27.01 4.73 -29.09 -26.71 0.0036 0.286439 0.36 7 0.197 -0.901 -0.387 0.197 -0.901 -0.387 0.330 -0.901 -0.280 1 5.41 -28.78 -27.01 4.73 -29.09 -26.71 5.07 -28.84 -27.13 0.0036 0.286439 0.36 7 0.197 -0.901 -0.387 0.330 -0.901 -0.280 0.330 -0.901 -0.280 1 4.73 -29.09 -26.71 5.07 -28.84 -27.13 4.33 -29.26 -26.75 0.0036 0.286439 0.36 7 0.330 -0.901 -0.280 0.330 -0.901 -0.280 0.444 -0.879 -0.174 1 5.07 -28.84 -27.13 4.33 -29.26 -26.75 4.79 -28.91 -27.32 0.0036 0.286439 0.36 7 0.330 -0.901 -0.280 0.444 -0.879 -0.174 0.444 -0.879 -0.174 1 4.33 -29.26 -26.75 4.79 -28.91 -27.32 3.94 -29.48 -26.80 0.0036 0.286439 0.36 7 0.444 -0.879 -0.174 0.444 -0.879 -0.174 0.543 -0.837 -0.068 1 4.79 -28.91 -27.32 3.94 -29.48 -26.80 4.56 -29.01 -27.57 0.0036 0.286439 0.36 7 0.444 -0.879 -0.174 0.543 -0.837 -0.068 0.543 -0.837 -0.068 1 3.94 -29.48 -26.80 4.56 -29.01 -27.57 3.58 -29.73 -26.87 0.0036 0.286439 0.36 7 0.543 -0.837 -0.068 0.543 -0.837 -0.068 0.630 -0.776 0.039 1 4.56 -29.01 -27.57 3.58 -29.73 -26.87 4.38 -29.14 -27.85 0.0036 0.286439 0.36 7 0.543 -0.837 -0.068 0.630 -0.776 0.039 0.630 -0.776 0.039 1 3.58 -29.73 -26.87 4.38 -29.14 -27.85 3.27 -30.03 -26.94 0.0036 0.286439 0.36 7 0.630 -0.776 0.039 0.630 -0.776 0.039 0.704 -0.694 0.148 1 4.38 -29.14 -27.85 3.27 -30.03 -26.94 4.24 -29.30 -28.14 0.0036 0.286439 0.36 7 0.630 -0.776 0.039 0.704 -0.694 0.148 0.704 -0.694 0.148 1 3.27 -30.03 -26.94 4.24 -29.30 -28.14 3.00 -30.36 -27.02 0.0036 0.286439 0.36 7 0.704 -0.694 0.148 0.704 -0.694 0.148 0.765 -0.589 0.261 1 4.24 -29.30 -28.14 3.00 -30.36 -27.02 4.13 -29.51 -28.42 0.0036 0.286439 0.36 7 0.704 -0.694 0.148 0.765 -0.589 0.261 0.765 -0.589 0.261 1 3.00 -30.36 -27.02 4.13 -29.51 -28.42 2.80 -30.71 -27.09 0.0036 0.286439 0.36 7 0.765 -0.589 0.261 0.765 -0.589 0.261 0.806 -0.459 0.374 1 4.13 -29.51 -28.42 2.80 -30.71 -27.09 4.05 -29.77 -28.65 0.0036 0.286439 0.36 7 0.765 -0.589 0.261 0.806 -0.459 0.374 0.806 -0.459 0.374 1 2.80 -30.71 -27.09 4.05 -29.77 -28.65 2.65 -31.09 -27.16 0.0036 0.286439 0.36 7 0.806 -0.459 0.374 0.806 -0.459 0.374 0.822 -0.304 0.481 1 4.05 -29.77 -28.65 2.65 -31.09 -27.16 3.99 -30.09 -28.82 0.0036 0.286439 0.36 7 0.806 -0.459 0.374 0.822 -0.304 0.481 0.822 -0.304 0.481 1 2.65 -31.09 -27.16 3.99 -30.09 -28.82 2.58 -31.49 -27.22 0.0036 0.286439 0.36 7 0.822 -0.304 0.481 0.822 -0.304 0.481 0.808 -0.131 0.574 1 3.99 -30.09 -28.82 2.58 -31.49 -27.22 3.95 -30.47 -28.90 0.0036 0.286439 0.36 7 0.822 -0.304 0.481 0.808 -0.131 0.574 0.808 -0.131 0.574 1 2.58 -31.49 -27.22 3.95 -30.47 -28.90 2.57 -31.91 -27.24 0.0036 0.286439 0.36 7 0.808 -0.131 0.574 0.808 -0.131 0.574 0.773 0.021 0.634 1 3.95 -30.47 -28.90 2.57 -31.91 -27.24 3.94 -30.88 -28.93 0.0036 0.286439 0.36 7 0.808 -0.131 0.574 0.773 0.021 0.634 0.773 0.021 0.634 1 2.57 -31.91 -27.24 3.94 -30.88 -28.93 2.62 -32.29 -27.23 0.0036 0.286439 0.36 7 0.773 0.021 0.634 0.773 0.021 0.634 0.713 0.178 0.678 1 3.94 -30.88 -28.93 2.62 -32.29 -27.23 3.97 -31.27 -28.92 0.0036 0.286439 0.36 7 0.773 0.021 0.634 0.713 0.178 0.678 0.713 0.178 0.678 1 2.62 -32.29 -27.23 3.97 -31.27 -28.92 2.70 -32.65 -27.18 0.0036 0.286439 0.36 7 0.713 0.178 0.678 0.713 0.178 0.678 0.630 0.332 0.702 1 3.97 -31.27 -28.92 2.70 -32.65 -27.18 4.05 -31.62 -28.87 0.0036 0.286439 0.36 7 0.713 0.178 0.678 0.630 0.332 0.702 0.630 0.332 0.702 1 2.70 -32.65 -27.18 4.05 -31.62 -28.87 2.82 -32.97 -27.08 0.0036 0.286439 0.36 7 0.630 0.332 0.702 0.630 0.332 0.702 0.528 0.475 0.704 1 4.05 -31.62 -28.87 2.82 -32.97 -27.08 4.17 -31.95 -28.79 0.0036 0.286439 0.36 7 0.630 0.332 0.702 0.528 0.475 0.704 0.528 0.475 0.704 1 2.82 -32.97 -27.08 4.17 -31.95 -28.79 2.98 -33.27 -26.95 0.0036 0.286439 0.36 7 0.528 0.475 0.704 0.528 0.475 0.704 0.410 0.603 0.684 1 4.17 -31.95 -28.79 2.98 -33.27 -26.95 4.32 -32.25 -28.66 0.0036 0.286439 0.36 7 0.528 0.475 0.704 0.410 0.603 0.684 0.410 0.603 0.684 1 2.98 -33.27 -26.95 4.32 -32.25 -28.66 3.15 -33.53 -26.78 0.0036 0.286439 0.36 7 0.410 0.603 0.684 0.410 0.603 0.684 0.282 0.710 0.645 1 4.32 -32.25 -28.66 3.15 -33.53 -26.78 4.49 -32.51 -28.49 0.0036 0.286439 0.36 7 0.410 0.603 0.684 0.282 0.710 0.645 0.282 0.710 0.645 1 3.15 -33.53 -26.78 4.49 -32.51 -28.49 3.35 -33.76 -26.57 0.0036 0.286439 0.36 7 0.282 0.710 0.645 0.282 0.710 0.645 0.148 0.795 0.589 1 4.49 -32.51 -28.49 3.35 -33.76 -26.57 4.69 -32.74 -28.28 0.0036 0.286439 0.36 7 0.282 0.710 0.645 0.148 0.795 0.589 0.148 0.795 0.589 1 3.35 -33.76 -26.57 4.69 -32.74 -28.28 3.57 -33.95 -26.32 0.0036 0.286439 0.36 7 0.148 0.795 0.589 0.148 0.795 0.589 0.012 0.855 0.518 1 4.69 -32.74 -28.28 3.57 -33.95 -26.32 4.90 -32.93 -28.04 0.0036 0.286439 0.36 7 0.148 0.795 0.589 0.012 0.855 0.518 0.012 0.855 0.518 1 3.57 -33.95 -26.32 4.90 -32.93 -28.04 3.79 -34.10 -26.02 0.0036 0.286439 0.36 7 0.012 0.855 0.518 0.012 0.855 0.518 -0.121 0.892 0.436 1 4.90 -32.93 -28.04 3.79 -34.10 -26.02 5.12 -33.07 -27.74 0.0036 0.286439 0.36 7 0.012 0.855 0.518 -0.121 0.892 0.436 -0.121 0.892 0.436 1 3.79 -34.10 -26.02 5.12 -33.07 -27.74 4.02 -34.20 -25.68 0.0036 0.286439 0.36 7 -0.121 0.892 0.436 -0.121 0.892 0.436 -0.247 0.905 0.346 1 5.12 -33.07 -27.74 4.02 -34.20 -25.68 5.34 -33.18 -27.41 0.0036 0.286439 0.36 7 -0.121 0.892 0.436 -0.247 0.905 0.346 -0.247 0.905 0.346 1 4.02 -34.20 -25.68 5.34 -33.18 -27.41 4.22 -34.24 -25.32 0.0036 0.286439 0.36 7 -0.247 0.905 0.346 -0.247 0.905 0.346 -0.369 0.896 0.248 1 5.34 -33.18 -27.41 4.22 -34.24 -25.32 5.55 -33.22 -27.05 0.0036 0.286439 0.36 7 -0.247 0.905 0.346 -0.369 0.896 0.248 -0.369 0.896 0.248 1 4.22 -34.24 -25.32 5.55 -33.22 -27.05 4.40 -34.24 -24.97 0.0036 0.286439 0.36 7 -0.369 0.896 0.248 -0.369 0.896 0.248 -0.485 0.863 0.141 1 5.55 -33.22 -27.05 4.40 -34.24 -24.97 5.73 -33.21 -26.69 0.0036 0.286439 0.36 7 -0.369 0.896 0.248 -0.485 0.863 0.141 -0.485 0.863 0.141 1 4.40 -34.24 -24.97 5.73 -33.21 -26.69 4.55 -34.18 -24.63 0.0036 0.286439 0.36 7 -0.485 0.863 0.141 -0.485 0.863 0.141 -0.590 0.807 0.028 1 5.73 -33.21 -26.69 4.55 -34.18 -24.63 5.87 -33.15 -26.34 0.0036 0.286439 0.36 7 -0.485 0.863 0.141 -0.590 0.807 0.028 -0.590 0.807 0.028 1 4.55 -34.18 -24.63 5.87 -33.15 -26.34 4.65 -34.08 -24.29 0.0036 0.286439 0.36 7 -0.590 0.807 0.028 -0.590 0.807 0.028 -0.680 0.728 -0.089 1 5.87 -33.15 -26.34 4.65 -34.08 -24.29 5.98 -33.05 -26.01 0.0036 0.286439 0.36 7 -0.590 0.807 0.028 -0.680 0.728 -0.089 -0.680 0.728 -0.089 1 4.65 -34.08 -24.29 5.98 -33.05 -26.01 4.72 -33.94 -23.96 0.0036 0.286439 0.36 7 -0.680 0.728 -0.089 -0.680 0.728 -0.089 -0.752 0.626 -0.205 1 5.98 -33.05 -26.01 4.72 -33.94 -23.96 6.04 -32.91 -25.68 0.0036 0.286439 0.36 7 -0.680 0.728 -0.089 -0.752 0.626 -0.205 -0.752 0.626 -0.205 1 4.72 -33.94 -23.96 6.04 -32.91 -25.68 4.74 -33.77 -23.65 0.0036 0.286439 0.36 7 -0.752 0.626 -0.205 -0.752 0.626 -0.205 -0.803 0.505 -0.317 1 6.04 -32.91 -25.68 4.74 -33.77 -23.65 6.07 -32.73 -25.36 0.0036 0.286439 0.36 7 -0.752 0.626 -0.205 -0.803 0.505 -0.317 -0.803 0.505 -0.317 1 4.74 -33.77 -23.65 6.07 -32.73 -25.36 4.72 -33.56 -23.35 0.0036 0.286439 0.36 7 -0.803 0.505 -0.317 -0.803 0.505 -0.317 -0.830 0.368 -0.420 1 6.07 -32.73 -25.36 4.72 -33.56 -23.35 6.04 -32.53 -25.07 0.0036 0.286439 0.36 7 -0.803 0.505 -0.317 -0.830 0.368 -0.420 -0.830 0.368 -0.420 1 4.72 -33.56 -23.35 6.04 -32.53 -25.07 4.64 -33.33 -23.07 0.0036 0.286439 0.36 7 -0.830 0.368 -0.420 -0.830 0.368 -0.420 -0.831 0.220 -0.511 1 6.04 -32.53 -25.07 4.64 -33.33 -23.07 5.97 -32.29 -24.78 0.0036 0.286439 0.36 7 -0.830 0.368 -0.420 -0.831 0.220 -0.511 -0.831 0.220 -0.511 1 4.64 -33.33 -23.07 5.97 -32.29 -24.78 4.51 -33.08 -22.81 0.0036 0.286439 0.36 7 -0.831 0.220 -0.511 -0.831 0.220 -0.511 -0.808 0.068 -0.586 1 5.97 -32.29 -24.78 4.51 -33.08 -22.81 5.83 -32.04 -24.52 0.0036 0.286439 0.36 7 -0.831 0.220 -0.511 -0.808 0.068 -0.586 -0.808 0.068 -0.586 1 4.51 -33.08 -22.81 5.83 -32.04 -24.52 4.31 -32.80 -22.56 0.0036 0.286439 0.36 7 -0.808 0.068 -0.586 -0.808 0.068 -0.586 -0.762 -0.082 -0.642 1 5.83 -32.04 -24.52 4.31 -32.80 -22.56 5.64 -31.76 -24.27 0.0036 0.286439 0.36 7 -0.808 0.068 -0.586 -0.762 -0.082 -0.642 -0.762 -0.082 -0.642 1 4.31 -32.80 -22.56 5.64 -31.76 -24.27 4.09 -32.53 -22.39 0.0036 0.286439 0.36 7 -0.762 -0.082 -0.642 -0.762 -0.082 -0.642 -0.683 -0.253 -0.685 1 5.64 -31.76 -24.27 4.09 -32.53 -22.39 5.39 -31.51 -24.06 0.0036 0.286439 0.36 7 -0.762 -0.082 -0.642 -0.683 -0.253 -0.685 -0.683 -0.253 -0.685 1 4.09 -32.53 -22.39 5.39 -31.51 -24.06 3.87 -32.25 -22.32 0.0036 0.286439 0.36 7 -0.683 -0.253 -0.685 -0.683 -0.253 -0.685 -0.583 -0.409 -0.702 1 5.39 -31.51 -24.06 3.87 -32.25 -22.32 5.09 -31.29 -23.89 0.0036 0.286439 0.36 7 -0.683 -0.253 -0.685 -0.583 -0.409 -0.702 -0.583 -0.409 -0.702 1 3.87 -32.25 -22.32 5.09 -31.29 -23.89 3.64 -31.97 -22.34 0.0036 0.286439 0.36 7 -0.583 -0.409 -0.702 -0.583 -0.409 -0.702 -0.470 -0.543 -0.696 1 5.09 -31.29 -23.89 3.64 -31.97 -22.34 4.74 -31.11 -23.75 0.0036 0.286439 0.36 7 -0.583 -0.409 -0.702 -0.470 -0.543 -0.696 -0.470 -0.543 -0.696 1 3.64 -31.97 -22.34 4.74 -31.11 -23.75 3.40 -31.72 -22.42 0.0036 0.286439 0.36 7 -0.470 -0.543 -0.696 -0.470 -0.543 -0.696 -0.351 -0.654 -0.671 1 4.74 -31.11 -23.75 3.40 -31.72 -22.42 4.35 -30.97 -23.64 0.0036 0.286439 0.36 7 -0.470 -0.543 -0.696 -0.351 -0.654 -0.671 -0.351 -0.654 -0.671 1 3.40 -31.72 -22.42 4.35 -30.97 -23.64 3.15 -31.49 -22.55 0.0036 0.286439 0.36 7 -0.351 -0.654 -0.671 -0.351 -0.654 -0.671 -0.230 -0.742 -0.630 1 4.35 -30.97 -23.64 3.15 -31.49 -22.55 3.93 -30.88 -23.55 0.0036 0.286439 0.36 7 -0.351 -0.654 -0.671 -0.230 -0.742 -0.630 -0.230 -0.742 -0.630 1 3.15 -31.49 -22.55 3.93 -30.88 -23.55 2.88 -31.31 -22.71 0.0036 0.286439 0.36 7 -0.230 -0.742 -0.630 -0.230 -0.742 -0.630 -0.106 -0.810 -0.576 1 3.93 -30.88 -23.55 2.88 -31.31 -22.71 3.49 -30.84 -23.48 0.0036 0.286439 0.36 7 -0.230 -0.742 -0.630 -0.106 -0.810 -0.576 -0.106 -0.810 -0.576 1 2.88 -31.31 -22.71 3.49 -30.84 -23.48 2.60 -31.19 -22.86 0.0036 0.286439 0.36 7 -0.106 -0.810 -0.576 -0.106 -0.810 -0.576 0.020 -0.861 -0.509 1 3.49 -30.84 -23.48 2.60 -31.19 -22.86 3.04 -30.84 -23.44 0.0036 0.286439 0.36 7 -0.106 -0.810 -0.576 0.020 -0.861 -0.509 0.020 -0.861 -0.509 1 2.60 -31.19 -22.86 3.04 -30.84 -23.44 2.28 -31.15 -23.00 0.0036 0.286439 0.36 7 0.020 -0.861 -0.509 0.020 -0.861 -0.509 0.151 -0.892 -0.426 1 3.04 -30.84 -23.44 2.28 -31.15 -23.00 2.61 -30.89 -23.42 0.0036 0.286439 0.36 7 0.020 -0.861 -0.509 0.151 -0.892 -0.426 0.151 -0.892 -0.426 1 2.28 -31.15 -23.00 2.61 -30.89 -23.42 1.94 -31.19 -23.10 0.0036 0.286439 0.36 7 0.151 -0.892 -0.426 0.151 -0.892 -0.426 0.288 -0.901 -0.325 1 2.61 -30.89 -23.42 1.94 -31.19 -23.10 2.18 -31.00 -23.42 0.0036 0.286439 0.36 7 0.151 -0.892 -0.426 0.288 -0.901 -0.325 0.288 -0.901 -0.325 1 1.94 -31.19 -23.10 2.18 -31.00 -23.42 1.56 -31.33 -23.14 0.0036 0.286439 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6.86 -11.48 -24.52 0.15 6.50 -11.33 -24.56 0.15 0.04 0.817216 1 3 6.31 -9.94 -26.50 0.15 5.98 -9.74 -26.50 0.15 0.04 0.817216 1 3 6.50 -11.33 -24.56 0.15 6.17 -11.13 -24.55 0.15 0.04 0.817216 1 3 5.98 -9.74 -26.50 0.15 5.69 -9.49 -26.46 0.15 0.04 0.817216 1 3 6.17 -11.13 -24.55 0.15 5.88 -10.89 -24.52 0.15 0.04 0.817216 1 3 5.69 -9.49 -26.46 0.15 5.43 -9.21 -26.40 0.15 0.04 0.817216 1 3 5.88 -10.89 -24.52 0.15 5.63 -10.61 -24.46 0.15 0.04 0.817216 1 3 5.43 -9.21 -26.40 0.15 5.22 -8.89 -26.32 0.15 0.04 0.817216 1 3 5.63 -10.61 -24.46 0.15 5.42 -10.29 -24.38 0.15 0.04 0.817216 1 3 5.22 -8.89 -26.32 0.15 5.06 -8.53 -26.22 0.15 0.04 0.817216 1 3 5.42 -10.29 -24.38 0.15 5.25 -9.94 -24.29 0.15 0.04 0.817216 1 3 5.06 -8.53 -26.22 0.15 4.95 -8.13 -26.11 0.15 0.04 0.817216 1 3 5.25 -9.94 -24.29 0.15 5.14 -9.55 -24.18 0.15 0.04 0.817216 1 3 4.95 -8.13 -26.11 0.15 4.89 -7.71 -25.99 0.15 0.04 0.817216 1 3 5.14 -9.55 -24.18 0.15 5.09 -9.13 -24.07 0.15 0.04 0.817216 1 3 4.89 -7.71 -25.99 0.15 4.91 -7.31 -25.86 0.15 0.04 0.817216 1 3 5.09 -9.13 -24.07 0.15 5.10 -8.70 -23.97 0.15 0.04 0.817216 1 3 4.91 -7.31 -25.86 0.15 4.99 -6.97 -25.69 0.15 0.04 0.817216 1 3 5.10 -8.70 -23.97 0.15 5.17 -8.27 -23.92 0.15 0.04 0.817216 1 3 4.99 -6.97 -25.69 0.15 5.14 -6.68 -25.50 0.15 0.04 0.817216 1 3 5.17 -8.27 -23.92 0.15 5.30 -7.86 -23.91 0.15 0.04 0.817216 1 3 5.14 -6.68 -25.50 0.15 5.34 -6.44 -25.31 0.15 0.04 0.817216 1 3 5.30 -7.86 -23.91 0.15 5.48 -7.46 -23.94 0.15 0.04 0.817216 1 3 5.34 -6.44 -25.31 0.15 5.59 -6.24 -25.13 0.15 0.04 0.817216 1 3 5.48 -7.46 -23.94 0.15 5.70 -7.07 -24.01 0.15 0.04 0.817216 1 3 5.59 -6.24 -25.13 0.15 5.87 -6.07 -24.99 0.15 0.04 0.817216 1 3 5.70 -7.07 -24.01 0.15 5.96 -6.72 -24.11 0.15 0.04 0.817216 1 3 5.87 -6.07 -24.99 0.15 6.19 -5.91 -24.90 0.15 0.04 0.817216 1 3 5.96 -6.72 -24.11 0.15 6.25 -6.40 -24.25 0.15 0.04 0.817216 1 3 6.19 -5.91 -24.90 0.15 6.52 -5.76 -24.89 0.15 0.04 0.817216 1 3 6.25 -6.40 -24.25 0.15 6.57 -6.11 -24.42 0.15 0.04 0.817216 1 3 6.52 -5.76 -24.89 0.15 6.86 -5.61 -24.98 0.15 0.04 0.817216 1 3 6.57 -6.11 -24.42 0.15 6.90 -5.88 -24.62 0.15 0.04 0.817216 1 3 6.86 -5.61 -24.98 0.15 7.21 -5.45 -25.16 0.15 0.04 0.817216 1 3 6.90 -5.88 -24.62 0.15 7.24 -5.69 -24.84 0.15 0.04 0.817216 1 3 7.21 -5.45 -25.16 0.15 7.24 -5.69 -24.84 0.15 0.04 0.817216 1 1 7.62 -26.21 -5.31 7.47 -26.55 -5.17 8.00 -26.09 -5.49 0.0036 0.286439 0.36 7 -0.291 -0.246 -0.925 -0.291 -0.246 -0.925 -0.428 -0.172 -0.887 1 7.47 -26.55 -5.17 8.00 -26.09 -5.49 7.83 -26.48 -5.33 0.0036 0.286439 0.36 7 -0.291 -0.246 -0.925 -0.428 -0.172 -0.887 -0.428 -0.172 -0.887 1 8.00 -26.09 -5.49 7.83 -26.48 -5.33 8.38 -26.02 -5.71 0.0036 0.286439 0.36 7 -0.428 -0.172 -0.887 -0.428 -0.172 -0.887 -0.539 -0.103 -0.836 1 7.83 -26.48 -5.33 8.38 -26.02 -5.71 8.16 -26.52 -5.51 0.0036 0.286439 0.36 7 -0.428 -0.172 -0.887 -0.539 -0.103 -0.836 -0.539 -0.103 -0.836 1 8.38 -26.02 -5.71 8.16 -26.52 -5.51 8.74 -25.96 -5.98 0.0036 0.286439 0.36 7 -0.539 -0.103 -0.836 -0.539 -0.103 -0.836 -0.634 -0.037 -0.773 1 8.16 -26.52 -5.51 8.74 -25.96 -5.98 8.44 -26.66 -5.70 0.0036 0.286439 0.36 7 -0.539 -0.103 -0.836 -0.634 -0.037 -0.773 -0.634 -0.037 -0.773 1 8.74 -25.96 -5.98 8.44 -26.66 -5.70 9.07 -25.92 -6.28 0.0036 0.286439 0.36 7 -0.634 -0.037 -0.773 -0.634 -0.037 -0.773 -0.717 0.030 -0.696 1 8.44 -26.66 -5.70 9.07 -25.92 -6.28 8.66 -26.86 -5.91 0.0036 0.286439 0.36 7 -0.634 -0.037 -0.773 -0.717 0.030 -0.696 -0.717 0.030 -0.696 1 9.07 -25.92 -6.28 8.66 -26.86 -5.91 9.36 -25.89 -6.62 0.0036 0.286439 0.36 7 -0.717 0.030 -0.696 -0.717 0.030 -0.696 -0.792 0.100 -0.603 1 8.66 -26.86 -5.91 9.36 -25.89 -6.62 8.84 -27.09 -6.14 0.0036 0.286439 0.36 7 -0.717 0.030 -0.696 -0.792 0.100 -0.603 -0.792 0.100 -0.603 1 9.36 -25.89 -6.62 8.84 -27.09 -6.14 9.60 -25.86 -6.98 0.0036 0.286439 0.36 7 -0.792 0.100 -0.603 -0.792 0.100 -0.603 -0.856 0.174 -0.486 1 8.84 -27.09 -6.14 9.60 -25.86 -6.98 8.97 -27.33 -6.39 0.0036 0.286439 0.36 7 -0.792 0.100 -0.603 -0.856 0.174 -0.486 -0.856 0.174 -0.486 1 9.60 -25.86 -6.98 8.97 -27.33 -6.39 9.78 -25.84 -7.35 0.0036 0.286439 0.36 7 -0.856 0.174 -0.486 -0.856 0.174 -0.486 -0.905 0.254 -0.341 1 8.97 -27.33 -6.39 9.78 -25.84 -7.35 9.05 -27.55 -6.66 0.0036 0.286439 0.36 7 -0.856 0.174 -0.486 -0.905 0.254 -0.341 -0.905 0.254 -0.341 1 9.78 -25.84 -7.35 9.05 -27.55 -6.66 9.90 -25.81 -7.73 0.0036 0.286439 0.36 7 -0.905 0.254 -0.341 -0.905 0.254 -0.341 -0.928 0.335 -0.164 1 9.05 -27.55 -6.66 9.90 -25.81 -7.73 9.08 -27.71 -6.97 0.0036 0.286439 0.36 7 -0.905 0.254 -0.341 -0.928 0.335 -0.164 -0.928 0.335 -0.164 1 9.90 -25.81 -7.73 9.08 -27.71 -6.97 9.94 -25.77 -8.12 0.0036 0.286439 0.36 7 -0.928 0.335 -0.164 -0.928 0.335 -0.164 -0.912 0.409 0.038 1 9.08 -27.71 -6.97 9.94 -25.77 -8.12 9.07 -27.79 -7.31 0.0036 0.286439 0.36 7 -0.928 0.335 -0.164 -0.912 0.409 0.038 -0.912 0.409 0.038 1 9.94 -25.77 -8.12 9.07 -27.79 -7.31 9.91 -25.71 -8.52 0.0036 0.286439 0.36 7 -0.912 0.409 0.038 -0.912 0.409 0.038 -0.850 0.465 0.245 1 9.07 -27.79 -7.31 9.91 -25.71 -8.52 9.01 -27.78 -7.69 0.0036 0.286439 0.36 7 -0.912 0.409 0.038 -0.850 0.465 0.245 -0.850 0.465 0.245 1 9.91 -25.71 -8.52 9.01 -27.78 -7.69 9.80 -25.64 -8.92 0.0036 0.286439 0.36 7 -0.850 0.465 0.245 -0.850 0.465 0.245 -0.752 0.510 0.418 1 9.01 -27.78 -7.69 9.80 -25.64 -8.92 8.90 -27.69 -8.04 0.0036 0.286439 0.36 7 -0.850 0.465 0.245 -0.752 0.510 0.418 -0.752 0.510 0.418 1 9.80 -25.64 -8.92 8.90 -27.69 -8.04 9.64 -25.56 -9.28 0.0036 0.286439 0.36 7 -0.752 0.510 0.418 -0.752 0.510 0.418 -0.620 0.539 0.570 1 8.90 -27.69 -8.04 9.64 -25.56 -9.28 8.74 -27.58 -8.34 0.0036 0.286439 0.36 7 -0.752 0.510 0.418 -0.620 0.539 0.570 -0.620 0.539 0.570 1 9.64 -25.56 -9.28 8.74 -27.58 -8.34 9.43 -25.45 -9.59 0.0036 0.286439 0.36 7 -0.620 0.539 0.570 -0.620 0.539 0.570 -0.468 0.552 0.690 1 8.74 -27.58 -8.34 9.43 -25.45 -9.59 8.53 -27.44 -8.60 0.0036 0.286439 0.36 7 -0.620 0.539 0.570 -0.468 0.552 0.690 -0.468 0.552 0.690 1 9.43 -25.45 -9.59 8.53 -27.44 -8.60 9.19 -25.31 -9.85 0.0036 0.286439 0.36 7 -0.468 0.552 0.690 -0.468 0.552 0.690 -0.307 0.549 0.777 1 8.53 -27.44 -8.60 9.19 -25.31 -9.85 8.29 -27.28 -8.81 0.0036 0.286439 0.36 7 -0.468 0.552 0.690 -0.307 0.549 0.777 -0.307 0.549 0.777 1 9.19 -25.31 -9.85 8.29 -27.28 -8.81 8.93 -25.15 -10.06 0.0036 0.286439 0.36 7 -0.307 0.549 0.777 -0.307 0.549 0.777 -0.143 0.533 0.834 1 8.29 -27.28 -8.81 8.93 -25.15 -10.06 8.03 -27.10 -8.98 0.0036 0.286439 0.36 7 -0.307 0.549 0.777 -0.143 0.533 0.834 -0.143 0.533 0.834 1 8.93 -25.15 -10.06 8.03 -27.10 -8.98 8.65 -24.96 -10.23 0.0036 0.286439 0.36 7 -0.143 0.533 0.834 -0.143 0.533 0.834 0.018 0.504 0.864 1 8.03 -27.10 -8.98 8.65 -24.96 -10.23 7.75 -26.88 -9.10 0.0036 0.286439 0.36 7 -0.143 0.533 0.834 0.018 0.504 0.864 0.018 0.504 0.864 1 8.65 -24.96 -10.23 7.75 -26.88 -9.10 8.37 -24.74 -10.36 0.0036 0.286439 0.36 7 0.018 0.504 0.864 0.018 0.504 0.864 0.177 0.461 0.869 1 7.75 -26.88 -9.10 8.37 -24.74 -10.36 7.46 -26.62 -9.17 0.0036 0.286439 0.36 7 0.018 0.504 0.864 0.177 0.461 0.869 0.177 0.461 0.869 1 8.37 -24.74 -10.36 7.46 -26.62 -9.17 8.09 -24.48 -10.44 0.0036 0.286439 0.36 7 0.177 0.461 0.869 0.177 0.461 0.869 0.333 0.404 0.852 1 7.46 -26.62 -9.17 8.09 -24.48 -10.44 7.19 -26.33 -9.21 0.0036 0.286439 0.36 7 0.177 0.461 0.869 0.333 0.404 0.852 0.333 0.404 0.852 1 8.09 -24.48 -10.44 7.19 -26.33 -9.21 7.84 -24.19 -10.47 0.0036 0.286439 0.36 7 0.333 0.404 0.852 0.333 0.404 0.852 0.481 0.332 0.811 1 7.19 -26.33 -9.21 7.84 -24.19 -10.47 6.93 -26.01 -9.20 0.0036 0.286439 0.36 7 0.333 0.404 0.852 0.481 0.332 0.811 0.481 0.332 0.811 1 7.84 -24.19 -10.47 6.93 -26.01 -9.20 7.61 -23.85 -10.47 0.0036 0.286439 0.36 7 0.481 0.332 0.811 0.481 0.332 0.811 0.619 0.242 0.747 1 6.93 -26.01 -9.20 7.61 -23.85 -10.47 6.71 -25.64 -9.14 0.0036 0.286439 0.36 7 0.481 0.332 0.811 0.619 0.242 0.747 0.619 0.242 0.747 1 7.61 -23.85 -10.47 6.71 -25.64 -9.14 7.38 -23.48 -10.40 0.0036 0.286439 0.36 7 0.619 0.242 0.747 0.619 0.242 0.747 0.757 0.140 0.638 1 6.71 -25.64 -9.14 7.38 -23.48 -10.40 6.59 -25.30 -9.06 0.0036 0.286439 0.36 7 0.619 0.242 0.747 0.757 0.140 0.638 0.757 0.140 0.638 1 7.38 -23.48 -10.40 6.59 -25.30 -9.06 7.20 -23.12 -10.28 0.0036 0.286439 0.36 7 0.757 0.140 0.638 0.757 0.140 0.638 0.866 0.047 0.498 1 6.59 -25.30 -9.06 7.20 -23.12 -10.28 6.52 -24.98 -8.93 0.0036 0.286439 0.36 7 0.757 0.140 0.638 0.866 0.047 0.498 0.866 0.047 0.498 1 7.20 -23.12 -10.28 6.52 -24.98 -8.93 7.06 -22.79 -10.12 0.0036 0.286439 0.36 7 0.866 0.047 0.498 0.866 0.047 0.498 0.940 -0.033 0.341 1 6.52 -24.98 -8.93 7.06 -22.79 -10.12 6.50 -24.68 -8.76 0.0036 0.286439 0.36 7 0.866 0.047 0.498 0.940 -0.033 0.341 0.940 -0.033 0.341 1 7.06 -22.79 -10.12 6.50 -24.68 -8.76 6.97 -22.47 -9.93 0.0036 0.286439 0.36 7 0.940 -0.033 0.341 0.940 -0.033 0.341 0.979 -0.100 0.176 1 6.50 -24.68 -8.76 6.97 -22.47 -9.93 6.53 -24.39 -8.57 0.0036 0.286439 0.36 7 0.940 -0.033 0.341 0.979 -0.100 0.176 0.979 -0.100 0.176 1 6.97 -22.47 -9.93 6.53 -24.39 -8.57 6.93 -22.16 -9.73 0.0036 0.286439 0.36 7 0.979 -0.100 0.176 0.979 -0.100 0.176 0.988 -0.156 0.009 1 6.53 -24.39 -8.57 6.93 -22.16 -9.73 6.61 -24.10 -8.36 0.0036 0.286439 0.36 7 0.979 -0.100 0.176 0.988 -0.156 0.009 0.988 -0.156 0.009 1 6.93 -22.16 -9.73 6.61 -24.10 -8.36 6.94 -21.86 -9.52 0.0036 0.286439 0.36 7 0.988 -0.156 0.009 0.988 -0.156 0.009 0.966 -0.207 -0.157 1 6.61 -24.10 -8.36 6.94 -21.86 -9.52 6.74 -23.83 -8.15 0.0036 0.286439 0.36 7 0.988 -0.156 0.009 0.966 -0.207 -0.157 0.966 -0.207 -0.157 1 6.94 -21.86 -9.52 6.74 -23.83 -8.15 7.00 -21.57 -9.32 0.0036 0.286439 0.36 7 0.966 -0.207 -0.157 0.966 -0.207 -0.157 0.911 -0.257 -0.321 1 6.74 -23.83 -8.15 7.00 -21.57 -9.32 6.92 -23.55 -7.95 0.0036 0.286439 0.36 7 0.966 -0.207 -0.157 0.911 -0.257 -0.321 0.911 -0.257 -0.321 1 7.00 -21.57 -9.32 6.92 -23.55 -7.95 7.11 -21.29 -9.14 0.0036 0.286439 0.36 7 0.911 -0.257 -0.321 0.911 -0.257 -0.321 0.822 -0.308 -0.479 1 6.92 -23.55 -7.95 7.11 -21.29 -9.14 7.15 -23.27 -7.79 0.0036 0.286439 0.36 7 0.911 -0.257 -0.321 0.822 -0.308 -0.479 0.822 -0.308 -0.479 1 7.11 -21.29 -9.14 7.15 -23.27 -7.79 7.27 -21.01 -9.00 0.0036 0.286439 0.36 7 0.822 -0.308 -0.479 0.822 -0.308 -0.479 0.697 -0.362 -0.620 1 7.15 -23.27 -7.79 7.27 -21.01 -9.00 7.43 -22.99 -7.66 0.0036 0.286439 0.36 7 0.822 -0.308 -0.479 0.697 -0.362 -0.620 0.697 -0.362 -0.620 1 7.27 -21.01 -9.00 7.43 -22.99 -7.66 7.49 -20.72 -8.91 0.0036 0.286439 0.36 7 0.697 -0.362 -0.620 0.697 -0.362 -0.620 0.540 -0.414 -0.732 1 7.43 -22.99 -7.66 7.49 -20.72 -8.91 7.77 -22.70 -7.58 0.0036 0.286439 0.36 7 0.697 -0.362 -0.620 0.540 -0.414 -0.732 0.540 -0.414 -0.732 1 7.49 -20.72 -8.91 7.77 -22.70 -7.58 7.80 -20.45 -8.87 0.0036 0.286439 0.36 7 0.540 -0.414 -0.732 0.540 -0.414 -0.732 0.418 -0.468 -0.778 1 7.77 -22.70 -7.58 7.80 -20.45 -8.87 8.09 -22.42 -7.53 0.0036 0.286439 0.36 7 0.540 -0.414 -0.732 0.418 -0.468 -0.778 0.418 -0.468 -0.778 1 7.80 -20.45 -8.87 8.09 -22.42 -7.53 8.12 -20.21 -8.88 0.0036 0.286439 0.36 7 0.418 -0.468 -0.778 0.418 -0.468 -0.778 0.285 -0.515 -0.808 1 8.09 -22.42 -7.53 8.12 -20.21 -8.88 8.43 -22.17 -7.53 0.0036 0.286439 0.36 7 0.418 -0.468 -0.778 0.285 -0.515 -0.808 0.285 -0.515 -0.808 1 8.12 -20.21 -8.88 8.43 -22.17 -7.53 8.45 -20.01 -8.94 0.0036 0.286439 0.36 7 0.285 -0.515 -0.808 0.285 -0.515 -0.808 0.140 -0.554 -0.821 1 8.43 -22.17 -7.53 8.45 -20.01 -8.94 8.77 -21.96 -7.57 0.0036 0.286439 0.36 7 0.285 -0.515 -0.808 0.140 -0.554 -0.821 0.140 -0.554 -0.821 1 8.45 -20.01 -8.94 8.77 -21.96 -7.57 8.77 -19.85 -9.04 0.0036 0.286439 0.36 7 0.140 -0.554 -0.821 0.140 -0.554 -0.821 -0.013 -0.582 -0.813 1 8.77 -21.96 -7.57 8.77 -19.85 -9.04 9.10 -21.78 -7.65 0.0036 0.286439 0.36 7 0.140 -0.554 -0.821 -0.013 -0.582 -0.813 -0.013 -0.582 -0.813 1 8.77 -19.85 -9.04 9.10 -21.78 -7.65 9.08 -19.72 -9.18 0.0036 0.286439 0.36 7 -0.013 -0.582 -0.813 -0.013 -0.582 -0.813 -0.173 -0.598 -0.783 1 9.10 -21.78 -7.65 9.08 -19.72 -9.18 9.42 -21.64 -7.78 0.0036 0.286439 0.36 7 -0.013 -0.582 -0.813 -0.173 -0.598 -0.783 -0.173 -0.598 -0.783 1 9.08 -19.72 -9.18 9.42 -21.64 -7.78 9.38 -19.62 -9.37 0.0036 0.286439 0.36 7 -0.173 -0.598 -0.783 -0.173 -0.598 -0.783 -0.334 -0.598 -0.729 1 9.42 -21.64 -7.78 9.38 -19.62 -9.37 9.73 -21.53 -7.96 0.0036 0.286439 0.36 7 -0.173 -0.598 -0.783 -0.334 -0.598 -0.729 -0.334 -0.598 -0.729 1 9.38 -19.62 -9.37 9.73 -21.53 -7.96 9.65 -19.56 -9.60 0.0036 0.286439 0.36 7 -0.334 -0.598 -0.729 -0.334 -0.598 -0.729 -0.491 -0.580 -0.650 1 9.73 -21.53 -7.96 9.65 -19.56 -9.60 10.01 -21.46 -8.18 0.0036 0.286439 0.36 7 -0.334 -0.598 -0.729 -0.491 -0.580 -0.650 -0.491 -0.580 -0.650 1 9.65 -19.56 -9.60 10.01 -21.46 -8.18 9.90 -19.53 -9.87 0.0036 0.286439 0.36 7 -0.491 -0.580 -0.650 -0.491 -0.580 -0.650 -0.636 -0.543 -0.549 1 10.01 -21.46 -8.18 9.90 -19.53 -9.87 10.27 -21.42 -8.44 0.0036 0.286439 0.36 7 -0.491 -0.580 -0.650 -0.636 -0.543 -0.549 -0.636 -0.543 -0.549 1 9.90 -19.53 -9.87 10.27 -21.42 -8.44 10.11 -19.54 -10.20 0.0036 0.286439 0.36 7 -0.636 -0.543 -0.549 -0.636 -0.543 -0.549 -0.759 -0.488 -0.431 1 10.27 -21.42 -8.44 10.11 -19.54 -10.20 10.50 -21.42 -8.75 0.0036 0.286439 0.36 7 -0.636 -0.543 -0.549 -0.759 -0.488 -0.431 -0.759 -0.488 -0.431 1 10.11 -19.54 -10.20 10.50 -21.42 -8.75 10.29 -19.58 -10.57 0.0036 0.286439 0.36 7 -0.759 -0.488 -0.431 -0.759 -0.488 -0.431 -0.855 -0.420 -0.304 1 10.50 -21.42 -8.75 10.29 -19.58 -10.57 10.69 -21.45 -9.11 0.0036 0.286439 0.36 7 -0.759 -0.488 -0.431 -0.855 -0.420 -0.304 -0.855 -0.420 -0.304 1 10.29 -19.58 -10.57 10.69 -21.45 -9.11 10.43 -19.65 -10.95 0.0036 0.286439 0.36 7 -0.855 -0.420 -0.304 -0.855 -0.420 -0.304 -0.934 -0.319 -0.164 1 10.69 -21.45 -9.11 10.43 -19.65 -10.95 10.81 -21.51 -9.48 0.0036 0.286439 0.36 7 -0.855 -0.420 -0.304 -0.934 -0.319 -0.164 -0.934 -0.319 -0.164 1 10.43 -19.65 -10.95 10.81 -21.51 -9.48 10.50 -19.75 -11.33 0.0036 0.286439 0.36 7 -0.934 -0.319 -0.164 -0.934 -0.319 -0.164 -0.979 -0.203 -0.020 1 10.81 -21.51 -9.48 10.50 -19.75 -11.33 10.86 -21.60 -9.84 0.0036 0.286439 0.36 7 -0.934 -0.319 -0.164 -0.979 -0.203 -0.020 -0.979 -0.203 -0.020 1 10.50 -19.75 -11.33 10.86 -21.60 -9.84 10.51 -19.86 -11.69 0.0036 0.286439 0.36 7 -0.979 -0.203 -0.020 -0.979 -0.203 -0.020 -0.990 -0.080 0.120 1 10.86 -21.60 -9.84 10.51 -19.86 -11.69 10.84 -21.71 -10.19 0.0036 0.286439 0.36 7 -0.979 -0.203 -0.020 -0.990 -0.080 0.120 -0.990 -0.080 0.120 1 10.51 -19.86 -11.69 10.84 -21.71 -10.19 10.46 -19.99 -12.03 0.0036 0.286439 0.36 7 -0.990 -0.080 0.120 -0.990 -0.080 0.120 -0.967 0.043 0.250 1 10.84 -21.71 -10.19 10.46 -19.99 -12.03 10.77 -21.83 -10.52 0.0036 0.286439 0.36 7 -0.990 -0.080 0.120 -0.967 0.043 0.250 -0.967 0.043 0.250 1 10.46 -19.99 -12.03 10.77 -21.83 -10.52 10.35 -20.11 -12.36 0.0036 0.286439 0.36 7 -0.967 0.043 0.250 -0.967 0.043 0.250 -0.916 0.162 0.368 1 10.77 -21.83 -10.52 10.35 -20.11 -12.36 10.64 -21.95 -10.84 0.0036 0.286439 0.36 7 -0.967 0.043 0.250 -0.916 0.162 0.368 -0.916 0.162 0.368 1 10.35 -20.11 -12.36 10.64 -21.95 -10.84 10.19 -20.24 -12.67 0.0036 0.286439 0.36 7 -0.916 0.162 0.368 -0.916 0.162 0.368 -0.837 0.276 0.472 1 10.64 -21.95 -10.84 10.19 -20.24 -12.67 10.46 -22.06 -11.13 0.0036 0.286439 0.36 7 -0.916 0.162 0.368 -0.837 0.276 0.472 -0.837 0.276 0.472 1 10.19 -20.24 -12.67 10.46 -22.06 -11.13 9.98 -20.34 -12.95 0.0036 0.286439 0.36 7 -0.837 0.276 0.472 -0.837 0.276 0.472 -0.735 0.380 0.562 1 10.46 -22.06 -11.13 9.98 -20.34 -12.95 10.22 -22.16 -11.41 0.0036 0.286439 0.36 7 -0.837 0.276 0.472 -0.735 0.380 0.562 -0.735 0.380 0.562 1 9.98 -20.34 -12.95 10.22 -22.16 -11.41 9.72 -20.42 -13.21 0.0036 0.286439 0.36 7 -0.735 0.380 0.562 -0.735 0.380 0.562 -0.609 0.473 0.636 1 10.22 -22.16 -11.41 9.72 -20.42 -13.21 9.93 -22.23 -11.65 0.0036 0.286439 0.36 7 -0.735 0.380 0.562 -0.609 0.473 0.636 -0.609 0.473 0.636 1 9.72 -20.42 -13.21 9.93 -22.23 -11.65 9.41 -20.46 -13.44 0.0036 0.286439 0.36 7 -0.609 0.473 0.636 -0.609 0.473 0.636 -0.463 0.552 0.693 1 9.93 -22.23 -11.65 9.41 -20.46 -13.44 9.60 -22.26 -11.87 0.0036 0.286439 0.36 7 -0.609 0.473 0.636 -0.463 0.552 0.693 -0.463 0.552 0.693 1 9.41 -20.46 -13.44 9.60 -22.26 -11.87 9.06 -20.46 -13.65 0.0036 0.286439 0.36 7 -0.463 0.552 0.693 -0.463 0.552 0.693 -0.300 0.613 0.731 1 9.60 -22.26 -11.87 9.06 -20.46 -13.65 9.23 -22.26 -12.07 0.0036 0.286439 0.36 7 -0.463 0.552 0.693 -0.300 0.613 0.731 -0.300 0.613 0.731 1 9.06 -20.46 -13.65 9.23 -22.26 -12.07 8.67 -20.42 -13.81 0.0036 0.286439 0.36 7 -0.300 0.613 0.731 -0.300 0.613 0.731 -0.130 0.655 0.744 1 9.23 -22.26 -12.07 8.67 -20.42 -13.81 8.85 -22.20 -12.21 0.0036 0.286439 0.36 7 -0.300 0.613 0.731 -0.130 0.655 0.744 -0.130 0.655 0.744 1 8.67 -20.42 -13.81 8.85 -22.20 -12.21 8.28 -20.35 -13.91 0.0036 0.286439 0.36 7 -0.130 0.655 0.744 -0.130 0.655 0.744 0.042 0.678 0.734 1 8.85 -22.20 -12.21 8.28 -20.35 -13.91 8.48 -22.11 -12.29 0.0036 0.286439 0.36 7 -0.130 0.655 0.744 0.042 0.678 0.734 0.042 0.678 0.734 1 8.28 -20.35 -13.91 8.48 -22.11 -12.29 7.91 -20.25 -13.96 0.0036 0.286439 0.36 7 0.042 0.678 0.734 0.042 0.678 0.734 0.209 0.682 0.701 1 8.48 -22.11 -12.29 7.91 -20.25 -13.96 8.12 -21.99 -12.33 0.0036 0.286439 0.36 7 0.042 0.678 0.734 0.209 0.682 0.701 0.209 0.682 0.701 1 7.91 -20.25 -13.96 8.12 -21.99 -12.33 7.55 -20.11 -13.97 0.0036 0.286439 0.36 7 0.209 0.682 0.701 0.209 0.682 0.701 0.368 0.667 0.647 1 8.12 -21.99 -12.33 7.55 -20.11 -13.97 7.77 -21.84 -12.31 0.0036 0.286439 0.36 7 0.209 0.682 0.701 0.368 0.667 0.647 0.368 0.667 0.647 1 7.55 -20.11 -13.97 7.77 -21.84 -12.31 7.22 -19.94 -13.93 0.0036 0.286439 0.36 7 0.368 0.667 0.647 0.368 0.667 0.647 0.517 0.634 0.575 1 7.77 -21.84 -12.31 7.22 -19.94 -13.93 7.46 -21.65 -12.26 0.0036 0.286439 0.36 7 0.368 0.667 0.647 0.517 0.634 0.575 0.517 0.634 0.575 1 7.22 -19.94 -13.93 7.46 -21.65 -12.26 6.92 -19.73 -13.87 0.0036 0.286439 0.36 7 0.517 0.634 0.575 0.517 0.634 0.575 0.652 0.582 0.486 1 7.46 -21.65 -12.26 6.92 -19.73 -13.87 7.17 -21.42 -12.18 0.0036 0.286439 0.36 7 0.517 0.634 0.575 0.652 0.582 0.486 0.652 0.582 0.486 1 6.92 -19.73 -13.87 7.17 -21.42 -12.18 6.66 -19.49 -13.78 0.0036 0.286439 0.36 7 0.652 0.582 0.486 0.652 0.582 0.486 0.771 0.510 0.381 1 7.17 -21.42 -12.18 6.66 -19.49 -13.78 6.92 -21.16 -12.07 0.0036 0.286439 0.36 7 0.652 0.582 0.486 0.771 0.510 0.381 0.771 0.510 0.381 1 6.66 -19.49 -13.78 6.92 -21.16 -12.07 6.44 -19.21 -13.67 0.0036 0.286439 0.36 7 0.771 0.510 0.381 0.771 0.510 0.381 0.870 0.417 0.262 1 6.92 -21.16 -12.07 6.44 -19.21 -13.67 6.71 -20.86 -11.94 0.0036 0.286439 0.36 7 0.771 0.510 0.381 0.870 0.417 0.262 0.870 0.417 0.262 1 6.44 -19.21 -13.67 6.71 -20.86 -11.94 6.27 -18.89 -13.54 0.0036 0.286439 0.36 7 0.870 0.417 0.262 0.870 0.417 0.262 0.942 0.307 0.134 1 6.71 -20.86 -11.94 6.27 -18.89 -13.54 6.56 -20.52 -11.80 0.0036 0.286439 0.36 7 0.870 0.417 0.262 0.942 0.307 0.134 0.942 0.307 0.134 1 6.27 -18.89 -13.54 6.56 -20.52 -11.80 6.16 -18.52 -13.41 0.0036 0.286439 0.36 7 0.942 0.307 0.134 0.942 0.307 0.134 0.983 0.184 0.002 1 6.56 -20.52 -11.80 6.16 -18.52 -13.41 6.46 -20.13 -11.66 0.0036 0.286439 0.36 7 0.942 0.307 0.134 0.983 0.184 0.002 0.983 0.184 0.002 1 6.16 -18.52 -13.41 6.46 -20.13 -11.66 6.12 -18.14 -13.27 0.0036 0.286439 0.36 7 0.983 0.184 0.002 0.983 0.184 0.002 0.991 0.054 -0.120 1 6.46 -20.13 -11.66 6.12 -18.14 -13.27 6.42 -19.75 -11.52 0.0036 0.286439 0.36 7 0.983 0.184 0.002 0.991 0.054 -0.120 0.991 0.054 -0.120 1 6.12 -18.14 -13.27 6.42 -19.75 -11.52 6.15 -17.77 -13.14 0.0036 0.286439 0.36 7 0.991 0.054 -0.120 0.991 0.054 -0.120 0.968 -0.079 -0.239 1 6.42 -19.75 -11.52 6.15 -17.77 -13.14 6.45 -19.39 -11.39 0.0036 0.286439 0.36 7 0.991 0.054 -0.120 0.968 -0.079 -0.239 0.968 -0.079 -0.239 1 6.15 -17.77 -13.14 6.45 -19.39 -11.39 6.24 -17.42 -13.02 0.0036 0.286439 0.36 7 0.968 -0.079 -0.239 0.968 -0.079 -0.239 0.913 -0.208 -0.351 1 6.45 -19.39 -11.39 6.24 -17.42 -13.02 6.54 -19.04 -11.28 0.0036 0.286439 0.36 7 0.968 -0.079 -0.239 0.913 -0.208 -0.351 0.913 -0.208 -0.351 1 6.24 -17.42 -13.02 6.54 -19.04 -11.28 6.38 -17.10 -12.93 0.0036 0.286439 0.36 7 0.913 -0.208 -0.351 0.913 -0.208 -0.351 0.830 -0.329 -0.450 1 6.54 -19.04 -11.28 6.38 -17.10 -12.93 6.68 -18.72 -11.18 0.0036 0.286439 0.36 7 0.913 -0.208 -0.351 0.830 -0.329 -0.450 0.830 -0.329 -0.450 1 6.38 -17.10 -12.93 6.68 -18.72 -11.18 6.58 -16.80 -12.85 0.0036 0.286439 0.36 7 0.830 -0.329 -0.450 0.830 -0.329 -0.450 0.723 -0.437 -0.535 1 6.68 -18.72 -11.18 6.58 -16.80 -12.85 6.88 -18.42 -11.11 0.0036 0.286439 0.36 7 0.830 -0.329 -0.450 0.723 -0.437 -0.535 0.723 -0.437 -0.535 1 6.58 -16.80 -12.85 6.88 -18.42 -11.11 6.81 -16.52 -12.81 0.0036 0.286439 0.36 7 0.723 -0.437 -0.535 0.723 -0.437 -0.535 0.595 -0.531 -0.603 1 6.88 -18.42 -11.11 6.81 -16.52 -12.81 7.12 -18.15 -11.08 0.0036 0.286439 0.36 7 0.723 -0.437 -0.535 0.595 -0.531 -0.603 0.595 -0.531 -0.603 1 6.81 -16.52 -12.81 7.12 -18.15 -11.08 7.09 -16.27 -12.81 0.0036 0.286439 0.36 7 0.595 -0.531 -0.603 0.595 -0.531 -0.603 0.450 -0.609 -0.653 1 7.12 -18.15 -11.08 7.09 -16.27 -12.81 7.39 -17.90 -11.08 0.0036 0.286439 0.36 7 0.595 -0.531 -0.603 0.450 -0.609 -0.653 0.450 -0.609 -0.653 1 7.09 -16.27 -12.81 7.39 -17.90 -11.08 7.39 -16.05 -12.85 0.0036 0.286439 0.36 7 0.450 -0.609 -0.653 0.450 -0.609 -0.653 0.292 -0.669 -0.684 1 7.39 -17.90 -11.08 7.39 -16.05 -12.85 7.70 -17.69 -11.12 0.0036 0.286439 0.36 7 0.450 -0.609 -0.653 0.292 -0.669 -0.684 0.292 -0.669 -0.684 1 7.39 -16.05 -12.85 7.70 -17.69 -11.12 7.73 -15.86 -12.93 0.0036 0.286439 0.36 7 0.292 -0.669 -0.684 0.292 -0.669 -0.684 0.125 -0.709 -0.694 1 7.70 -17.69 -11.12 7.73 -15.86 -12.93 8.03 -17.50 -11.20 0.0036 0.286439 0.36 7 0.292 -0.669 -0.684 0.125 -0.709 -0.694 0.125 -0.709 -0.694 1 7.73 -15.86 -12.93 8.03 -17.50 -11.20 8.08 -15.71 -13.07 0.0036 0.286439 0.36 7 0.125 -0.709 -0.694 0.125 -0.709 -0.694 -0.044 -0.728 -0.685 1 8.03 -17.50 -11.20 8.08 -15.71 -13.07 8.39 -17.35 -11.35 0.0036 0.286439 0.36 7 0.125 -0.709 -0.694 -0.044 -0.728 -0.685 -0.044 -0.728 -0.685 1 8.08 -15.71 -13.07 8.39 -17.35 -11.35 8.44 -15.59 -13.25 0.0036 0.286439 0.36 7 -0.044 -0.728 -0.685 -0.044 -0.728 -0.685 -0.215 -0.723 -0.656 1 8.39 -17.35 -11.35 8.44 -15.59 -13.25 8.74 -17.24 -11.53 0.0036 0.286439 0.36 7 -0.044 -0.728 -0.685 -0.215 -0.723 -0.656 -0.215 -0.723 -0.656 1 8.44 -15.59 -13.25 8.74 -17.24 -11.53 8.77 -15.53 -13.46 0.0036 0.286439 0.36 7 -0.215 -0.723 -0.656 -0.215 -0.723 -0.656 -0.380 -0.696 -0.609 1 8.74 -17.24 -11.53 8.77 -15.53 -13.46 9.06 -17.19 -11.75 0.0036 0.286439 0.36 7 -0.215 -0.723 -0.656 -0.380 -0.696 -0.609 -0.380 -0.696 -0.609 1 8.77 -15.53 -13.46 9.06 -17.19 -11.75 9.07 -15.52 -13.70 0.0036 0.286439 0.36 7 -0.380 -0.696 -0.609 -0.380 -0.696 -0.609 -0.535 -0.647 -0.544 1 9.06 -17.19 -11.75 9.07 -15.52 -13.70 9.34 -17.19 -11.99 0.0036 0.286439 0.36 7 -0.380 -0.696 -0.609 -0.535 -0.647 -0.544 -0.535 -0.647 -0.544 1 9.07 -15.52 -13.70 9.34 -17.19 -11.99 9.33 -15.56 -13.96 0.0036 0.286439 0.36 7 -0.535 -0.647 -0.544 -0.535 -0.647 -0.544 -0.671 -0.578 -0.464 1 9.34 -17.19 -11.99 9.33 -15.56 -13.96 9.59 -17.22 -12.26 0.0036 0.286439 0.36 7 -0.535 -0.647 -0.544 -0.671 -0.578 -0.464 -0.671 -0.578 -0.464 1 9.33 -15.56 -13.96 9.59 -17.22 -12.26 9.56 -15.62 -14.25 0.0036 0.286439 0.36 7 -0.671 -0.578 -0.464 -0.671 -0.578 -0.464 -0.787 -0.492 -0.372 1 9.59 -17.22 -12.26 9.56 -15.62 -14.25 9.80 -17.30 -12.55 0.0036 0.286439 0.36 7 -0.671 -0.578 -0.464 -0.787 -0.492 -0.372 -0.787 -0.492 -0.372 1 9.56 -15.62 -14.25 9.80 -17.30 -12.55 9.73 -15.72 -14.56 0.0036 0.286439 0.36 7 -0.787 -0.492 -0.372 -0.787 -0.492 -0.372 -0.879 -0.393 -0.269 1 9.80 -17.30 -12.55 9.73 -15.72 -14.56 9.97 -17.40 -12.86 0.0036 0.286439 0.36 7 -0.787 -0.492 -0.372 -0.879 -0.393 -0.269 -0.879 -0.393 -0.269 1 9.73 -15.72 -14.56 9.97 -17.40 -12.86 9.86 -15.83 -14.88 0.0036 0.286439 0.36 7 -0.879 -0.393 -0.269 -0.879 -0.393 -0.269 -0.946 -0.282 -0.159 1 9.97 -17.40 -12.86 9.86 -15.83 -14.88 10.08 -17.52 -13.19 0.0036 0.286439 0.36 7 -0.879 -0.393 -0.269 -0.946 -0.282 -0.159 -0.946 -0.282 -0.159 1 9.86 -15.83 -14.88 10.08 -17.52 -13.19 9.94 -15.97 -15.23 0.0036 0.286439 0.36 7 -0.946 -0.282 -0.159 -0.946 -0.282 -0.159 -0.986 -0.164 -0.044 1 10.08 -17.52 -13.19 9.94 -15.97 -15.23 10.14 -17.66 -13.55 0.0036 0.286439 0.36 7 -0.946 -0.282 -0.159 -0.986 -0.164 -0.044 -0.986 -0.164 -0.044 1 9.94 -15.97 -15.23 10.14 -17.66 -13.55 9.95 -16.11 -15.59 0.0036 0.286439 0.36 7 -0.986 -0.164 -0.044 -0.986 -0.164 -0.044 -0.996 -0.041 0.073 1 10.14 -17.66 -13.55 9.95 -16.11 -15.59 10.15 -17.81 -13.91 0.0036 0.286439 0.36 7 -0.986 -0.164 -0.044 -0.996 -0.041 0.073 -0.996 -0.041 0.073 1 9.95 -16.11 -15.59 10.15 -17.81 -13.91 9.91 -16.26 -15.97 0.0036 0.286439 0.36 7 -0.996 -0.041 0.073 -0.996 -0.041 0.073 -0.979 0.081 0.189 1 10.15 -17.81 -13.91 9.91 -16.26 -15.97 10.09 -17.97 -14.30 0.0036 0.286439 0.36 7 -0.996 -0.041 0.073 -0.979 0.081 0.189 -0.979 0.081 0.189 1 9.91 -16.26 -15.97 10.09 -17.97 -14.30 9.80 -16.42 -16.35 0.0036 0.286439 0.36 7 -0.979 0.081 0.189 -0.979 0.081 0.189 -0.932 0.207 0.299 1 10.09 -17.97 -14.30 9.80 -16.42 -16.35 9.96 -18.11 -14.66 0.0036 0.286439 0.36 7 -0.979 0.081 0.189 -0.932 0.207 0.299 -0.932 0.207 0.299 1 9.80 -16.42 -16.35 9.96 -18.11 -14.66 9.64 -16.56 -16.69 0.0036 0.286439 0.36 7 -0.932 0.207 0.299 -0.932 0.207 0.299 -0.856 0.329 0.399 1 9.96 -18.11 -14.66 9.64 -16.56 -16.69 9.79 -18.24 -14.98 0.0036 0.286439 0.36 7 -0.932 0.207 0.299 -0.856 0.329 0.399 -0.856 0.329 0.399 1 9.64 -16.56 -16.69 9.79 -18.24 -14.98 9.43 -16.69 -16.99 0.0036 0.286439 0.36 7 -0.856 0.329 0.399 -0.856 0.329 0.399 -0.756 0.441 0.484 1 9.79 -18.24 -14.98 9.43 -16.69 -16.99 9.57 -18.35 -15.26 0.0036 0.286439 0.36 7 -0.856 0.329 0.399 -0.756 0.441 0.484 -0.756 0.441 0.484 1 9.43 -16.69 -16.99 9.57 -18.35 -15.26 9.18 -16.79 -17.25 0.0036 0.286439 0.36 7 -0.756 0.441 0.484 -0.756 0.441 0.484 -0.634 0.540 0.554 1 9.57 -18.35 -15.26 9.18 -16.79 -17.25 9.30 -18.43 -15.50 0.0036 0.286439 0.36 7 -0.756 0.441 0.484 -0.634 0.540 0.554 -0.634 0.540 0.554 1 9.18 -16.79 -17.25 9.30 -18.43 -15.50 8.90 -16.86 -17.47 0.0036 0.286439 0.36 7 -0.634 0.540 0.554 -0.634 0.540 0.554 -0.493 0.623 0.607 1 9.30 -18.43 -15.50 8.90 -16.86 -17.47 9.01 -18.49 -15.71 0.0036 0.286439 0.36 7 -0.634 0.540 0.554 -0.493 0.623 0.607 -0.493 0.623 0.607 1 8.90 -16.86 -17.47 9.01 -18.49 -15.71 8.60 -16.90 -17.66 0.0036 0.286439 0.36 7 -0.493 0.623 0.607 -0.493 0.623 0.607 -0.336 0.688 0.643 1 9.01 -18.49 -15.71 8.60 -16.90 -17.66 8.69 -18.51 -15.88 0.0036 0.286439 0.36 7 -0.493 0.623 0.607 -0.336 0.688 0.643 -0.336 0.688 0.643 1 8.60 -16.90 -17.66 8.69 -18.51 -15.88 8.27 -16.89 -17.81 0.0036 0.286439 0.36 7 -0.336 0.688 0.643 -0.336 0.688 0.643 -0.166 0.732 0.661 1 8.69 -18.51 -15.88 8.27 -16.89 -17.81 8.34 -18.49 -16.02 0.0036 0.286439 0.36 7 -0.336 0.688 0.643 -0.166 0.732 0.661 -0.166 0.732 0.661 1 8.27 -16.89 -17.81 8.34 -18.49 -16.02 7.93 -16.83 -17.93 0.0036 0.286439 0.36 7 -0.166 0.732 0.661 -0.166 0.732 0.661 0.013 0.753 0.658 1 8.34 -18.49 -16.02 7.93 -16.83 -17.93 7.98 -18.41 -16.13 0.0036 0.286439 0.36 7 -0.166 0.732 0.661 0.013 0.753 0.658 0.013 0.753 0.658 1 7.93 -16.83 -17.93 7.98 -18.41 -16.13 7.57 -16.72 -18.02 0.0036 0.286439 0.36 7 0.013 0.753 0.658 0.013 0.753 0.658 0.194 0.746 0.636 1 7.98 -18.41 -16.13 7.57 -16.72 -18.02 7.62 -18.28 -16.20 0.0036 0.286439 0.36 7 0.013 0.753 0.658 0.194 0.746 0.636 0.194 0.746 0.636 1 7.57 -16.72 -18.02 7.62 -18.28 -16.20 7.22 -16.55 -18.08 0.0036 0.286439 0.36 7 0.194 0.746 0.636 0.194 0.746 0.636 0.368 0.714 0.596 1 7.62 -18.28 -16.20 7.22 -16.55 -18.08 7.25 -18.09 -16.24 0.0036 0.286439 0.36 7 0.194 0.746 0.636 0.368 0.714 0.596 0.368 0.714 0.596 1 7.22 -16.55 -18.08 7.25 -18.09 -16.24 6.87 -16.32 -18.09 0.0036 0.286439 0.36 7 0.368 0.714 0.596 0.368 0.714 0.596 0.523 0.657 0.543 1 7.25 -18.09 -16.24 6.87 -16.32 -18.09 6.91 -17.86 -16.25 0.0036 0.286439 0.36 7 0.368 0.714 0.596 0.523 0.657 0.543 0.523 0.657 0.543 1 6.87 -16.32 -18.09 6.91 -17.86 -16.25 6.58 -16.06 -18.06 0.0036 0.286439 0.36 7 0.523 0.657 0.543 0.523 0.657 0.543 0.664 0.579 0.473 1 6.91 -17.86 -16.25 6.58 -16.06 -18.06 6.62 -17.60 -16.23 0.0036 0.286439 0.36 7 0.523 0.657 0.543 0.664 0.579 0.473 0.664 0.579 0.473 1 6.58 -16.06 -18.06 6.62 -17.60 -16.23 6.33 -15.78 -18.00 0.0036 0.286439 0.36 7 0.664 0.579 0.473 0.664 0.579 0.473 0.784 0.485 0.388 1 6.62 -17.60 -16.23 6.33 -15.78 -18.00 6.38 -17.32 -16.17 0.0036 0.286439 0.36 7 0.664 0.579 0.473 0.784 0.485 0.388 0.784 0.485 0.388 1 6.33 -15.78 -18.00 6.38 -17.32 -16.17 6.14 -15.47 -17.92 0.0036 0.286439 0.36 7 0.784 0.485 0.388 0.784 0.485 0.388 0.880 0.376 0.292 1 6.38 -17.32 -16.17 6.14 -15.47 -17.92 6.19 -17.02 -16.08 0.0036 0.286439 0.36 7 0.784 0.485 0.388 0.880 0.376 0.292 0.880 0.376 0.292 1 6.14 -15.47 -17.92 6.19 -17.02 -16.08 6.00 -15.15 -17.82 0.0036 0.286439 0.36 7 0.880 0.376 0.292 0.880 0.376 0.292 0.948 0.257 0.187 1 6.19 -17.02 -16.08 6.00 -15.15 -17.82 6.05 -16.70 -15.98 0.0036 0.286439 0.36 7 0.880 0.376 0.292 0.948 0.257 0.187 0.948 0.257 0.187 1 6.00 -15.15 -17.82 6.05 -16.70 -15.98 5.91 -14.82 -17.70 0.0036 0.286439 0.36 7 0.948 0.257 0.187 0.948 0.257 0.187 0.988 0.132 0.077 1 6.05 -16.70 -15.98 5.91 -14.82 -17.70 5.97 -16.36 -15.86 0.0036 0.286439 0.36 7 0.948 0.257 0.187 0.988 0.132 0.077 0.988 0.132 0.077 1 5.91 -14.82 -17.70 5.97 -16.36 -15.86 5.88 -14.47 -17.58 0.0036 0.286439 0.36 7 0.988 0.132 0.077 0.988 0.132 0.077 0.999 0.002 -0.035 1 5.97 -16.36 -15.86 5.88 -14.47 -17.58 5.95 -16.01 -15.74 0.0036 0.286439 0.36 7 0.988 0.132 0.077 0.999 0.002 -0.035 0.999 0.002 -0.035 1 5.88 -14.47 -17.58 5.95 -16.01 -15.74 5.91 -14.11 -17.47 0.0036 0.286439 0.36 7 0.999 0.002 -0.035 0.999 0.002 -0.035 0.981 -0.128 -0.146 1 5.95 -16.01 -15.74 5.91 -14.11 -17.47 5.98 -15.65 -15.63 0.0036 0.286439 0.36 7 0.999 0.002 -0.035 0.981 -0.128 -0.146 0.981 -0.128 -0.146 1 5.91 -14.11 -17.47 5.98 -15.65 -15.63 6.00 -13.74 -17.36 0.0036 0.286439 0.36 7 0.981 -0.128 -0.146 0.981 -0.128 -0.146 0.934 -0.254 -0.252 1 5.98 -15.65 -15.63 6.00 -13.74 -17.36 6.08 -15.28 -15.52 0.0036 0.286439 0.36 7 0.981 -0.128 -0.146 0.934 -0.254 -0.252 0.934 -0.254 -0.252 1 6.00 -13.74 -17.36 6.08 -15.28 -15.52 6.16 -13.37 -17.27 0.0036 0.286439 0.36 7 0.934 -0.254 -0.252 0.934 -0.254 -0.252 0.860 -0.372 -0.350 1 6.08 -15.28 -15.52 6.16 -13.37 -17.27 6.25 -14.91 -15.43 0.0036 0.286439 0.36 7 0.934 -0.254 -0.252 0.860 -0.372 -0.350 0.860 -0.372 -0.350 1 6.16 -13.37 -17.27 6.25 -14.91 -15.43 6.38 -13.02 -17.19 0.0036 0.286439 0.36 7 0.860 -0.372 -0.350 0.860 -0.372 -0.350 0.759 -0.479 -0.441 1 6.25 -14.91 -15.43 6.38 -13.02 -17.19 6.46 -14.57 -15.36 0.0036 0.286439 0.36 7 0.860 -0.372 -0.350 0.759 -0.479 -0.441 0.759 -0.479 -0.441 1 6.38 -13.02 -17.19 6.46 -14.57 -15.36 6.63 -12.72 -17.15 0.0036 0.286439 0.36 7 0.759 -0.479 -0.441 0.759 -0.479 -0.441 0.636 -0.572 -0.519 1 6.46 -14.57 -15.36 6.63 -12.72 -17.15 6.72 -14.27 -15.32 0.0036 0.286439 0.36 7 0.759 -0.479 -0.441 0.636 -0.572 -0.519 0.636 -0.572 -0.519 1 6.63 -12.72 -17.15 6.72 -14.27 -15.32 6.91 -12.47 -17.13 0.0036 0.286439 0.36 7 0.636 -0.572 -0.519 0.636 -0.572 -0.519 0.494 -0.646 -0.581 1 6.72 -14.27 -15.32 6.91 -12.47 -17.13 7.01 -14.03 -15.31 0.0036 0.286439 0.36 7 0.636 -0.572 -0.519 0.494 -0.646 -0.581 0.494 -0.646 -0.581 1 6.91 -12.47 -17.13 7.01 -14.03 -15.31 7.22 -12.26 -17.14 0.0036 0.286439 0.36 7 0.494 -0.646 -0.581 0.494 -0.646 -0.581 0.339 -0.702 -0.627 1 7.01 -14.03 -15.31 7.22 -12.26 -17.14 7.32 -13.83 -15.32 0.0036 0.286439 0.36 7 0.494 -0.646 -0.581 0.339 -0.702 -0.627 0.339 -0.702 -0.627 1 7.22 -12.26 -17.14 7.32 -13.83 -15.32 7.55 -12.09 -17.18 0.0036 0.286439 0.36 7 0.339 -0.702 -0.627 0.339 -0.702 -0.627 0.172 -0.737 -0.654 1 7.32 -13.83 -15.32 7.55 -12.09 -17.18 7.65 -13.67 -15.38 0.0036 0.286439 0.36 7 0.339 -0.702 -0.627 0.172 -0.737 -0.654 0.172 -0.737 -0.654 1 7.55 -12.09 -17.18 7.65 -13.67 -15.38 7.88 -11.97 -17.27 0.0036 0.286439 0.36 7 0.172 -0.737 -0.654 0.172 -0.737 -0.654 -0.001 -0.750 -0.662 1 7.65 -13.67 -15.38 7.88 -11.97 -17.27 7.99 -13.56 -15.47 0.0036 0.286439 0.36 7 0.172 -0.737 -0.654 -0.001 -0.750 -0.662 -0.001 -0.750 -0.662 1 7.88 -11.97 -17.27 7.99 -13.56 -15.47 8.21 -11.89 -17.39 0.0036 0.286439 0.36 7 -0.001 -0.750 -0.662 -0.001 -0.750 -0.662 -0.176 -0.741 -0.648 1 7.99 -13.56 -15.47 8.21 -11.89 -17.39 8.32 -13.49 -15.60 0.0036 0.286439 0.36 7 -0.001 -0.750 -0.662 -0.176 -0.741 -0.648 -0.176 -0.741 -0.648 1 8.21 -11.89 -17.39 8.32 -13.49 -15.60 8.54 -11.86 -17.56 0.0036 0.286439 0.36 7 -0.176 -0.741 -0.648 -0.176 -0.741 -0.648 -0.349 -0.708 -0.613 1 8.32 -13.49 -15.60 8.54 -11.86 -17.56 8.66 -13.46 -15.78 0.0036 0.286439 0.36 7 -0.176 -0.741 -0.648 -0.349 -0.708 -0.613 -0.349 -0.708 -0.613 1 8.54 -11.86 -17.56 8.66 -13.46 -15.78 8.85 -11.86 -17.79 0.0036 0.286439 0.36 7 -0.349 -0.708 -0.613 -0.349 -0.708 -0.613 -0.513 -0.653 -0.557 1 8.66 -13.46 -15.78 8.85 -11.86 -17.79 8.97 -13.47 -16.01 0.0036 0.286439 0.36 7 -0.349 -0.708 -0.613 -0.513 -0.653 -0.557 -0.513 -0.653 -0.557 1 8.85 -11.86 -17.79 8.97 -13.47 -16.01 9.15 -11.90 -18.06 0.0036 0.286439 0.36 7 -0.513 -0.653 -0.557 -0.513 -0.653 -0.557 -0.658 -0.578 -0.482 1 8.97 -13.47 -16.01 9.15 -11.90 -18.06 9.27 -13.52 -16.29 0.0036 0.286439 0.36 7 -0.513 -0.653 -0.557 -0.658 -0.578 -0.482 -0.658 -0.578 -0.482 1 9.15 -11.90 -18.06 9.27 -13.52 -16.29 9.40 -11.99 -18.38 0.0036 0.286439 0.36 7 -0.658 -0.578 -0.482 -0.658 -0.578 -0.482 -0.781 -0.487 -0.392 1 9.27 -13.52 -16.29 9.40 -11.99 -18.38 9.52 -13.60 -16.61 0.0036 0.286439 0.36 7 -0.658 -0.578 -0.482 -0.781 -0.487 -0.392 -0.781 -0.487 -0.392 1 9.40 -11.99 -18.38 9.52 -13.60 -16.61 9.60 -12.10 -18.70 0.0036 0.286439 0.36 7 -0.781 -0.487 -0.392 -0.781 -0.487 -0.392 -0.879 -0.379 -0.289 1 9.52 -13.60 -16.61 9.60 -12.10 -18.70 9.71 -13.72 -16.93 0.0036 0.286439 0.36 7 -0.781 -0.487 -0.392 -0.879 -0.379 -0.289 -0.879 -0.379 -0.289 1 9.60 -12.10 -18.70 9.71 -13.72 -16.93 9.73 -12.24 -19.03 0.0036 0.286439 0.36 7 -0.879 -0.379 -0.289 -0.879 -0.379 -0.289 -0.949 -0.259 -0.179 1 9.71 -13.72 -16.93 9.73 -12.24 -19.03 9.84 -13.85 -17.25 0.0036 0.286439 0.36 7 -0.879 -0.379 -0.289 -0.949 -0.259 -0.179 -0.949 -0.259 -0.179 1 9.73 -12.24 -19.03 9.84 -13.85 -17.25 9.81 -12.40 -19.36 0.0036 0.286439 0.36 7 -0.949 -0.259 -0.179 -0.949 -0.259 -0.179 -0.989 -0.133 -0.066 1 9.84 -13.85 -17.25 9.81 -12.40 -19.36 9.91 -14.01 -17.58 0.0036 0.286439 0.36 7 -0.949 -0.259 -0.179 -0.989 -0.133 -0.066 -0.989 -0.133 -0.066 1 9.81 -12.40 -19.36 9.91 -14.01 -17.58 9.83 -12.56 -19.69 0.0036 0.286439 0.36 7 -0.989 -0.133 -0.066 -0.989 -0.133 -0.066 -0.999 -0.005 0.047 1 9.91 -14.01 -17.58 9.83 -12.56 -19.69 9.92 -14.17 -17.91 0.0036 0.286439 0.36 7 -0.989 -0.133 -0.066 -0.999 -0.005 0.047 -0.999 -0.005 0.047 1 9.83 -12.56 -19.69 9.92 -14.17 -17.91 9.79 -12.73 -20.02 0.0036 0.286439 0.36 7 -0.999 -0.005 0.047 -0.999 -0.005 0.047 -0.980 0.122 0.156 1 9.92 -14.17 -17.91 9.79 -12.73 -20.02 9.87 -14.34 -18.24 0.0036 0.286439 0.36 7 -0.999 -0.005 0.047 -0.980 0.122 0.156 -0.980 0.122 0.156 1 9.79 -12.73 -20.02 9.87 -14.34 -18.24 9.69 -12.89 -20.35 0.0036 0.286439 0.36 7 -0.980 0.122 0.156 -0.980 0.122 0.156 -0.934 0.244 0.260 1 9.87 -14.34 -18.24 9.69 -12.89 -20.35 9.77 -14.50 -18.56 0.0036 0.286439 0.36 7 -0.980 0.122 0.156 -0.934 0.244 0.260 -0.934 0.244 0.260 1 9.69 -12.89 -20.35 9.77 -14.50 -18.56 9.53 -13.04 -20.67 0.0036 0.286439 0.36 7 -0.934 0.244 0.260 -0.934 0.244 0.260 -0.862 0.360 0.357 1 9.77 -14.50 -18.56 9.53 -13.04 -20.67 9.61 -14.64 -18.88 0.0036 0.286439 0.36 7 -0.934 0.244 0.260 -0.862 0.360 0.357 -0.862 0.360 0.357 1 9.53 -13.04 -20.67 9.61 -14.64 -18.88 9.32 -13.17 -20.98 0.0036 0.286439 0.36 7 -0.862 0.360 0.357 -0.862 0.360 0.357 -0.765 0.466 0.444 1 9.61 -14.64 -18.88 9.32 -13.17 -20.98 9.39 -14.77 -19.19 0.0036 0.286439 0.36 7 -0.862 0.360 0.357 -0.765 0.466 0.444 -0.765 0.466 0.444 1 9.32 -13.17 -20.98 9.39 -14.77 -19.19 9.05 -13.27 -21.27 0.0036 0.286439 0.36 7 -0.765 0.466 0.444 -0.765 0.466 0.444 -0.647 0.558 0.519 1 9.39 -14.77 -19.19 9.05 -13.27 -21.27 9.11 -14.87 -19.48 0.0036 0.286439 0.36 7 -0.765 0.466 0.444 -0.647 0.558 0.519 -0.647 0.558 0.519 1 9.05 -13.27 -21.27 9.11 -14.87 -19.48 8.73 -13.34 -21.54 0.0036 0.286439 0.36 7 -0.647 0.558 0.519 -0.647 0.558 0.519 -0.511 0.636 0.579 1 9.11 -14.87 -19.48 8.73 -13.34 -21.54 8.79 -14.93 -19.74 0.0036 0.286439 0.36 7 -0.647 0.558 0.519 -0.511 0.636 0.579 -0.511 0.636 0.579 1 8.73 -13.34 -21.54 8.79 -14.93 -19.74 8.40 -13.37 -21.76 0.0036 0.286439 0.36 7 -0.511 0.636 0.579 -0.511 0.636 0.579 -0.358 0.696 0.622 1 8.79 -14.93 -19.74 8.40 -13.37 -21.76 8.46 -14.95 -19.95 0.0036 0.286439 0.36 7 -0.511 0.636 0.579 -0.358 0.696 0.622 -0.358 0.696 0.622 1 8.40 -13.37 -21.76 8.46 -14.95 -19.95 8.06 -13.35 -21.93 0.0036 0.286439 0.36 7 -0.358 0.696 0.622 -0.358 0.696 0.622 -0.194 0.737 0.648 1 8.46 -14.95 -19.95 8.06 -13.35 -21.93 8.12 -14.93 -20.11 0.0036 0.286439 0.36 7 -0.358 0.696 0.622 -0.194 0.737 0.648 -0.194 0.737 0.648 1 8.06 -13.35 -21.93 8.12 -14.93 -20.11 7.71 -13.30 -22.05 0.0036 0.286439 0.36 7 -0.194 0.737 0.648 -0.194 0.737 0.648 -0.025 0.756 0.654 1 8.12 -14.93 -20.11 7.71 -13.30 -22.05 7.77 -14.87 -20.23 0.0036 0.286439 0.36 7 -0.194 0.737 0.648 -0.025 0.756 0.654 -0.025 0.756 0.654 1 7.71 -13.30 -22.05 7.77 -14.87 -20.23 7.37 -13.21 -22.14 0.0036 0.286439 0.36 7 -0.025 0.756 0.654 -0.025 0.756 0.654 0.145 0.754 0.640 1 7.77 -14.87 -20.23 7.37 -13.21 -22.14 7.43 -14.77 -20.31 0.0036 0.286439 0.36 7 -0.025 0.756 0.654 0.145 0.754 0.640 0.145 0.754 0.640 1 7.37 -13.21 -22.14 7.43 -14.77 -20.31 7.03 -13.07 -22.18 0.0036 0.286439 0.36 7 0.145 0.754 0.640 0.145 0.754 0.640 0.311 0.730 0.609 1 7.43 -14.77 -20.31 7.03 -13.07 -22.18 7.10 -14.62 -20.35 0.0036 0.286439 0.36 7 0.145 0.754 0.640 0.311 0.730 0.609 0.311 0.730 0.609 1 7.03 -13.07 -22.18 7.10 -14.62 -20.35 6.71 -12.89 -22.20 0.0036 0.286439 0.36 7 0.311 0.730 0.609 0.311 0.730 0.609 0.468 0.684 0.559 1 7.10 -14.62 -20.35 6.71 -12.89 -22.20 6.78 -14.44 -20.36 0.0036 0.286439 0.36 7 0.311 0.730 0.609 0.468 0.684 0.559 0.468 0.684 0.559 1 6.71 -12.89 -22.20 6.78 -14.44 -20.36 6.41 -12.66 -22.18 0.0036 0.286439 0.36 7 0.468 0.684 0.559 0.468 0.684 0.559 0.613 0.617 0.493 1 6.78 -14.44 -20.36 6.41 -12.66 -22.18 6.48 -14.20 -20.34 0.0036 0.286439 0.36 7 0.468 0.684 0.559 0.613 0.617 0.493 0.613 0.617 0.493 1 6.41 -12.66 -22.18 6.48 -14.20 -20.34 6.14 -12.38 -22.14 0.0036 0.286439 0.36 7 0.613 0.617 0.493 0.613 0.617 0.493 0.739 0.531 0.414 1 6.48 -14.20 -20.34 6.14 -12.38 -22.14 6.21 -13.91 -20.29 0.0036 0.286439 0.36 7 0.613 0.617 0.493 0.739 0.531 0.414 0.739 0.531 0.414 1 6.14 -12.38 -22.14 6.21 -13.91 -20.29 5.91 -12.05 -22.07 0.0036 0.286439 0.36 7 0.739 0.531 0.414 0.739 0.531 0.414 0.843 0.431 0.323 1 6.21 -13.91 -20.29 5.91 -12.05 -22.07 5.97 -13.58 -20.21 0.0036 0.286439 0.36 7 0.739 0.531 0.414 0.843 0.431 0.323 0.843 0.431 0.323 1 5.91 -12.05 -22.07 5.97 -13.58 -20.21 5.72 -11.69 -21.97 0.0036 0.286439 0.36 7 0.843 0.431 0.323 0.843 0.431 0.323 0.923 0.317 0.218 1 5.97 -13.58 -20.21 5.72 -11.69 -21.97 5.80 -13.22 -20.12 0.0036 0.286439 0.36 7 0.843 0.431 0.323 0.923 0.317 0.218 0.923 0.317 0.218 1 5.72 -11.69 -21.97 5.80 -13.22 -20.12 5.59 -11.33 -21.86 0.0036 0.286439 0.36 7 0.923 0.317 0.218 0.923 0.317 0.218 0.975 0.196 0.106 1 5.80 -13.22 -20.12 5.59 -11.33 -21.86 5.70 -12.86 -20.01 0.0036 0.286439 0.36 7 0.923 0.317 0.218 0.975 0.196 0.106 0.975 0.196 0.106 1 5.59 -11.33 -21.86 5.70 -12.86 -20.01 5.52 -10.97 -21.74 0.0036 0.286439 0.36 7 0.975 0.196 0.106 0.975 0.196 0.106 0.997 0.070 -0.010 1 5.70 -12.86 -20.01 5.52 -10.97 -21.74 5.65 -12.50 -19.90 0.0036 0.286439 0.36 7 0.975 0.196 0.106 0.997 0.070 -0.010 0.997 0.070 -0.010 1 5.52 -10.97 -21.74 5.65 -12.50 -19.90 5.52 -10.61 -21.62 0.0036 0.286439 0.36 7 0.997 0.070 -0.010 0.997 0.070 -0.010 0.991 -0.055 -0.125 1 5.65 -12.50 -19.90 5.52 -10.61 -21.62 5.67 -12.15 -19.78 0.0036 0.286439 0.36 7 0.997 0.070 -0.010 0.991 -0.055 -0.125 0.991 -0.055 -0.125 1 5.52 -10.61 -21.62 5.67 -12.15 -19.78 5.57 -10.26 -21.50 0.0036 0.286439 0.36 7 0.991 -0.055 -0.125 0.991 -0.055 -0.125 0.955 -0.179 -0.236 1 5.67 -12.15 -19.78 5.57 -10.26 -21.50 5.74 -11.80 -19.67 0.0036 0.286439 0.36 7 0.991 -0.055 -0.125 0.955 -0.179 -0.236 0.955 -0.179 -0.236 1 5.57 -10.26 -21.50 5.74 -11.80 -19.67 5.68 -9.93 -21.40 0.0036 0.286439 0.36 7 0.955 -0.179 -0.236 0.955 -0.179 -0.236 0.892 -0.298 -0.341 1 5.74 -11.80 -19.67 5.68 -9.93 -21.40 5.87 -11.47 -19.57 0.0036 0.286439 0.36 7 0.955 -0.179 -0.236 0.892 -0.298 -0.341 0.892 -0.298 -0.341 1 5.68 -9.93 -21.40 5.87 -11.47 -19.57 5.84 -9.60 -21.32 0.0036 0.286439 0.36 7 0.892 -0.298 -0.341 0.892 -0.298 -0.341 0.800 -0.411 -0.436 1 5.87 -11.47 -19.57 5.84 -9.60 -21.32 6.05 -11.15 -19.50 0.0036 0.286439 0.36 7 0.892 -0.298 -0.341 0.800 -0.411 -0.436 0.800 -0.411 -0.436 1 5.84 -9.60 -21.32 6.05 -11.15 -19.50 6.05 -9.30 -21.28 0.0036 0.286439 0.36 7 0.800 -0.411 -0.436 0.800 -0.411 -0.436 0.683 -0.514 -0.519 1 6.05 -11.15 -19.50 6.05 -9.30 -21.28 6.28 -10.84 -19.45 0.0036 0.286439 0.36 7 0.800 -0.411 -0.436 0.683 -0.514 -0.519 0.683 -0.514 -0.519 1 6.05 -9.30 -21.28 6.28 -10.84 -19.45 6.31 -9.01 -21.26 0.0036 0.286439 0.36 7 0.683 -0.514 -0.519 0.683 -0.514 -0.519 0.542 -0.603 -0.585 1 6.28 -10.84 -19.45 6.31 -9.01 -21.26 6.55 -10.56 -19.44 0.0036 0.286439 0.36 7 0.683 -0.514 -0.519 0.542 -0.603 -0.585 0.542 -0.603 -0.585 1 6.31 -9.01 -21.26 6.55 -10.56 -19.44 6.62 -8.75 -21.30 0.0036 0.286439 0.36 7 0.542 -0.603 -0.585 0.542 -0.603 -0.585 0.384 -0.674 -0.631 1 6.55 -10.56 -19.44 6.62 -8.75 -21.30 6.88 -10.30 -19.48 0.0036 0.286439 0.36 7 0.542 -0.603 -0.585 0.384 -0.674 -0.631 0.384 -0.674 -0.631 1 6.62 -8.75 -21.30 6.88 -10.30 -19.48 6.96 -8.53 -21.38 0.0036 0.286439 0.36 7 0.384 -0.674 -0.631 0.384 -0.674 -0.631 0.227 -0.728 -0.647 1 6.88 -10.30 -19.48 6.96 -8.53 -21.38 7.23 -10.07 -19.56 0.0036 0.286439 0.36 7 0.384 -0.674 -0.631 0.227 -0.728 -0.647 0.227 -0.728 -0.647 1 6.96 -8.53 -21.38 7.23 -10.07 -19.56 7.29 -8.37 -21.50 0.0036 0.286439 0.36 7 0.227 -0.728 -0.647 0.227 -0.728 -0.647 0.061 -0.762 -0.645 1 7.23 -10.07 -19.56 7.29 -8.37 -21.50 7.57 -9.90 -19.66 0.0036 0.286439 0.36 7 0.227 -0.728 -0.647 0.061 -0.762 -0.645 0.061 -0.762 -0.645 1 7.29 -8.37 -21.50 7.57 -9.90 -19.66 7.63 -8.27 -21.65 0.0036 0.286439 0.36 7 0.061 -0.762 -0.645 0.061 -0.762 -0.645 -0.107 -0.775 -0.622 1 7.57 -9.90 -19.66 7.63 -8.27 -21.65 7.91 -9.78 -19.81 0.0036 0.286439 0.36 7 0.061 -0.762 -0.645 -0.107 -0.775 -0.622 -0.107 -0.775 -0.622 1 7.63 -8.27 -21.65 7.91 -9.78 -19.81 7.94 -8.21 -21.84 0.0036 0.286439 0.36 7 -0.107 -0.775 -0.622 -0.107 -0.775 -0.622 -0.271 -0.767 -0.582 1 7.91 -9.78 -19.81 7.94 -8.21 -21.84 8.23 -9.71 -19.99 0.0036 0.286439 0.36 7 -0.107 -0.775 -0.622 -0.271 -0.767 -0.582 -0.271 -0.767 -0.582 1 7.94 -8.21 -21.84 8.23 -9.71 -19.99 8.24 -8.20 -22.05 0.0036 0.286439 0.36 7 -0.271 -0.767 -0.582 -0.271 -0.767 -0.582 -0.427 -0.736 -0.525 1 8.23 -9.71 -19.99 8.24 -8.20 -22.05 8.54 -9.69 -20.20 0.0036 0.286439 0.36 7 -0.271 -0.767 -0.582 -0.427 -0.736 -0.525 -0.427 -0.736 -0.525 1 8.24 -8.20 -22.05 8.54 -9.69 -20.20 8.52 -8.23 -22.30 0.0036 0.286439 0.36 7 -0.427 -0.736 -0.525 -0.427 -0.736 -0.525 -0.570 -0.685 -0.453 1 8.54 -9.69 -20.20 8.52 -8.23 -22.30 8.82 -9.71 -20.44 0.0036 0.286439 0.36 7 -0.427 -0.736 -0.525 -0.570 -0.685 -0.453 -0.570 -0.685 -0.453 1 8.52 -8.23 -22.30 8.82 -9.71 -20.44 8.76 -8.30 -22.58 0.0036 0.286439 0.36 7 -0.570 -0.685 -0.453 -0.570 -0.685 -0.453 -0.697 -0.614 -0.369 1 8.82 -9.71 -20.44 8.76 -8.30 -22.58 9.07 -9.77 -20.71 0.0036 0.286439 0.36 7 -0.570 -0.685 -0.453 -0.697 -0.614 -0.369 -0.697 -0.614 -0.369 1 8.76 -8.30 -22.58 9.07 -9.77 -20.71 8.97 -8.41 -22.89 0.0036 0.286439 0.36 7 -0.697 -0.614 -0.369 -0.697 -0.614 -0.369 -0.805 -0.526 -0.275 1 9.07 -9.77 -20.71 8.97 -8.41 -22.89 9.28 -9.87 -21.01 0.0036 0.286439 0.36 7 -0.697 -0.614 -0.369 -0.805 -0.526 -0.275 -0.805 -0.526 -0.275 1 8.97 -8.41 -22.89 9.28 -9.87 -21.01 9.13 -8.56 -23.23 0.0036 0.286439 0.36 7 -0.805 -0.526 -0.275 -0.805 -0.526 -0.275 -0.889 -0.422 -0.175 1 9.28 -9.87 -21.01 9.13 -8.56 -23.23 9.45 -10.01 -21.34 0.0036 0.286439 0.36 7 -0.805 -0.526 -0.275 -0.889 -0.422 -0.175 -0.889 -0.422 -0.175 1 9.13 -8.56 -23.23 9.45 -10.01 -21.34 9.25 -8.74 -23.59 0.0036 0.286439 0.36 7 -0.889 -0.422 -0.175 -0.889 -0.422 -0.175 -0.949 -0.308 -0.072 1 9.45 -10.01 -21.34 9.25 -8.74 -23.59 9.57 -10.18 -21.69 0.0036 0.286439 0.36 7 -0.889 -0.422 -0.175 -0.949 -0.308 -0.072 -0.949 -0.308 -0.072 1 9.25 -8.74 -23.59 9.57 -10.18 -21.69 9.31 -8.94 -23.95 0.0036 0.286439 0.36 7 -0.949 -0.308 -0.072 -0.949 -0.308 -0.072 -0.985 -0.171 0.032 1 9.57 -10.18 -21.69 9.31 -8.94 -23.95 9.62 -10.37 -22.05 0.0036 0.286439 0.36 7 -0.949 -0.308 -0.072 -0.985 -0.171 0.032 -0.985 -0.171 0.032 1 9.31 -8.94 -23.95 9.62 -10.37 -22.05 9.31 -9.14 -24.29 0.0036 0.286439 0.36 7 -0.985 -0.171 0.032 -0.985 -0.171 0.032 -0.991 -0.027 0.134 1 9.62 -10.37 -22.05 9.31 -9.14 -24.29 9.60 -10.56 -22.39 0.0036 0.286439 0.36 7 -0.985 -0.171 0.032 -0.991 -0.027 0.134 -0.991 -0.027 0.134 1 9.31 -9.14 -24.29 9.60 -10.56 -22.39 9.25 -9.34 -24.61 0.0036 0.286439 0.36 7 -0.991 -0.027 0.134 -0.991 -0.027 0.134 -0.966 0.117 0.230 1 9.60 -10.56 -22.39 9.25 -9.34 -24.61 9.53 -10.76 -22.70 0.0036 0.286439 0.36 7 -0.991 -0.027 0.134 -0.966 0.117 0.230 -0.966 0.117 0.230 1 9.25 -9.34 -24.61 9.53 -10.76 -22.70 9.13 -9.54 -24.91 0.0036 0.286439 0.36 7 -0.966 0.117 0.230 -0.966 0.117 0.230 -0.913 0.256 0.317 1 9.53 -10.76 -22.70 9.13 -9.54 -24.91 9.40 -10.95 -22.99 0.0036 0.286439 0.36 7 -0.966 0.117 0.230 -0.913 0.256 0.317 -0.913 0.256 0.317 1 9.13 -9.54 -24.91 9.40 -10.95 -22.99 8.96 -9.72 -25.18 0.0036 0.286439 0.36 7 -0.913 0.256 0.317 -0.913 0.256 0.317 -0.834 0.387 0.393 1 9.40 -10.95 -22.99 8.96 -9.72 -25.18 9.22 -11.13 -23.25 0.0036 0.286439 0.36 7 -0.913 0.256 0.317 -0.834 0.387 0.393 -0.834 0.387 0.393 1 8.96 -9.72 -25.18 9.22 -11.13 -23.25 8.74 -9.88 -25.43 0.0036 0.286439 0.36 7 -0.834 0.387 0.393 -0.834 0.387 0.393 -0.731 0.506 0.458 1 9.22 -11.13 -23.25 8.74 -9.88 -25.43 8.99 -11.28 -23.50 0.0036 0.286439 0.36 7 -0.834 0.387 0.393 -0.731 0.506 0.458 -0.731 0.506 0.458 1 8.74 -9.88 -25.43 8.99 -11.28 -23.50 8.48 -10.01 -25.66 0.0036 0.286439 0.36 7 -0.731 0.506 0.458 -0.731 0.506 0.458 -0.605 0.611 0.510 1 8.99 -11.28 -23.50 8.48 -10.01 -25.66 8.71 -11.40 -23.72 0.0036 0.286439 0.36 7 -0.731 0.506 0.458 -0.605 0.611 0.510 -0.605 0.611 0.510 1 8.48 -10.01 -25.66 8.71 -11.40 -23.72 8.18 -10.10 -25.86 0.0036 0.286439 0.36 7 -0.605 0.611 0.510 -0.605 0.611 0.510 -0.460 0.698 0.549 1 8.71 -11.40 -23.72 8.18 -10.10 -25.86 8.40 -11.49 -23.92 0.0036 0.286439 0.36 7 -0.605 0.611 0.510 -0.460 0.698 0.549 -0.460 0.698 0.549 1 8.18 -10.10 -25.86 8.40 -11.49 -23.92 7.84 -10.15 -26.05 0.0036 0.286439 0.36 7 -0.460 0.698 0.549 -0.460 0.698 0.549 -0.300 0.764 0.571 1 8.40 -11.49 -23.92 7.84 -10.15 -26.05 8.04 -11.53 -24.09 0.0036 0.286439 0.36 7 -0.460 0.698 0.549 -0.300 0.764 0.571 -0.300 0.764 0.571 1 7.84 -10.15 -26.05 8.04 -11.53 -24.09 7.46 -10.15 -26.20 0.0036 0.286439 0.36 7 -0.300 0.764 0.571 -0.300 0.764 0.571 -0.130 0.806 0.577 1 8.04 -11.53 -24.09 7.46 -10.15 -26.20 7.65 -11.52 -24.24 0.0036 0.286439 0.36 7 -0.300 0.764 0.571 -0.130 0.806 0.577 -0.130 0.806 0.577 1 7.46 -10.15 -26.20 7.65 -11.52 -24.24 7.07 -10.08 -26.32 0.0036 0.286439 0.36 7 -0.130 0.806 0.577 -0.130 0.806 0.577 0.037 0.819 0.573 1 7.65 -11.52 -24.24 7.07 -10.08 -26.32 7.26 -11.46 -24.36 0.0036 0.286439 0.36 7 -0.130 0.806 0.577 0.037 0.819 0.573 0.037 0.819 0.573 1 7.07 -10.08 -26.32 7.26 -11.46 -24.36 6.70 -9.97 -26.39 0.0036 0.286439 0.36 7 0.037 0.819 0.573 0.037 0.819 0.573 0.209 0.808 0.551 1 7.26 -11.46 -24.36 6.70 -9.97 -26.39 6.90 -11.36 -24.44 0.0036 0.286439 0.36 7 0.037 0.819 0.573 0.209 0.808 0.551 0.209 0.808 0.551 1 6.70 -9.97 -26.39 6.90 -11.36 -24.44 6.37 -9.82 -26.43 0.0036 0.286439 0.36 7 0.209 0.808 0.551 0.209 0.808 0.551 0.377 0.772 0.512 1 6.90 -11.36 -24.44 6.37 -9.82 -26.43 6.56 -11.21 -24.48 0.0036 0.286439 0.36 7 0.209 0.808 0.551 0.377 0.772 0.512 0.377 0.772 0.512 1 6.37 -9.82 -26.43 6.56 -11.21 -24.48 6.06 -9.63 -26.43 0.0036 0.286439 0.36 7 0.377 0.772 0.512 0.377 0.772 0.512 0.534 0.712 0.456 1 6.56 -11.21 -24.48 6.06 -9.63 -26.43 6.25 -11.02 -24.48 0.0036 0.286439 0.36 7 0.377 0.772 0.512 0.534 0.712 0.456 0.534 0.712 0.456 1 6.06 -9.63 -26.43 6.25 -11.02 -24.48 5.79 -9.40 -26.40 0.0036 0.286439 0.36 7 0.534 0.712 0.456 0.534 0.712 0.456 0.671 0.632 0.387 1 6.25 -11.02 -24.48 5.79 -9.40 -26.40 5.98 -10.79 -24.46 0.0036 0.286439 0.36 7 0.534 0.712 0.456 0.671 0.632 0.387 0.671 0.632 0.387 1 5.79 -9.40 -26.40 5.98 -10.79 -24.46 5.55 -9.13 -26.35 0.0036 0.286439 0.36 7 0.671 0.632 0.387 0.671 0.632 0.387 0.787 0.535 0.308 1 5.98 -10.79 -24.46 5.55 -9.13 -26.35 5.74 -10.53 -24.42 0.0036 0.286439 0.36 7 0.671 0.632 0.387 0.787 0.535 0.308 0.787 0.535 0.308 1 5.55 -9.13 -26.35 5.74 -10.53 -24.42 5.35 -8.82 -26.28 0.0036 0.286439 0.36 7 0.787 0.535 0.308 0.787 0.535 0.308 0.877 0.426 0.222 1 5.74 -10.53 -24.42 5.35 -8.82 -26.28 5.55 -10.23 -24.35 0.0036 0.286439 0.36 7 0.787 0.535 0.308 0.877 0.426 0.222 0.877 0.426 0.222 1 5.35 -8.82 -26.28 5.55 -10.23 -24.35 5.20 -8.48 -26.20 0.0036 0.286439 0.36 7 0.877 0.426 0.222 0.877 0.426 0.222 0.942 0.310 0.131 1 5.55 -10.23 -24.35 5.20 -8.48 -26.20 5.40 -9.89 -24.27 0.0036 0.286439 0.36 7 0.877 0.426 0.222 0.942 0.310 0.131 0.942 0.310 0.131 1 5.20 -8.48 -26.20 5.40 -9.89 -24.27 5.10 -8.11 -26.10 0.0036 0.286439 0.36 7 0.942 0.310 0.131 0.942 0.310 0.131 0.981 0.189 0.039 1 5.40 -9.89 -24.27 5.10 -8.11 -26.10 5.29 -9.52 -24.18 0.0036 0.286439 0.36 7 0.942 0.310 0.131 0.981 0.189 0.039 0.981 0.189 0.039 1 5.10 -8.11 -26.10 5.29 -9.52 -24.18 5.04 -7.70 -26.00 0.0036 0.286439 0.36 7 0.981 0.189 0.039 0.981 0.189 0.039 0.996 0.068 -0.051 1 5.29 -9.52 -24.18 5.04 -7.70 -26.00 5.24 -9.12 -24.08 0.0036 0.286439 0.36 7 0.981 0.189 0.039 0.996 0.068 -0.051 0.996 0.068 -0.051 1 5.04 -7.70 -26.00 5.24 -9.12 -24.08 5.06 -7.32 -25.88 0.0036 0.286439 0.36 7 0.996 0.068 -0.051 0.996 0.068 -0.051 0.986 -0.072 -0.153 1 5.24 -9.12 -24.08 5.06 -7.32 -25.88 5.25 -8.71 -24.00 0.0036 0.286439 0.36 7 0.996 0.068 -0.051 0.986 -0.072 -0.153 0.986 -0.072 -0.153 1 5.06 -7.32 -25.88 5.25 -8.71 -24.00 5.13 -7.00 -25.73 0.0036 0.286439 0.36 7 0.986 -0.072 -0.153 0.986 -0.072 -0.153 0.945 -0.210 -0.251 1 5.25 -8.71 -24.00 5.13 -7.00 -25.73 5.32 -8.30 -23.96 0.0036 0.286439 0.36 7 0.986 -0.072 -0.153 0.945 -0.210 -0.251 0.945 -0.210 -0.251 1 5.13 -7.00 -25.73 5.32 -8.30 -23.96 5.27 -6.73 -25.55 0.0036 0.286439 0.36 7 0.945 -0.210 -0.251 0.945 -0.210 -0.251 0.877 -0.340 -0.340 1 5.32 -8.30 -23.96 5.27 -6.73 -25.55 5.43 -7.91 -23.96 0.0036 0.286439 0.36 7 0.945 -0.210 -0.251 0.877 -0.340 -0.340 0.877 -0.340 -0.340 1 5.27 -6.73 -25.55 5.43 -7.91 -23.96 5.46 -6.51 -25.37 0.0036 0.286439 0.36 7 0.877 -0.340 -0.340 0.877 -0.340 -0.340 0.786 -0.457 -0.417 1 5.43 -7.91 -23.96 5.46 -6.51 -25.37 5.60 -7.52 -24.00 0.0036 0.286439 0.36 7 0.877 -0.340 -0.340 0.786 -0.457 -0.417 0.786 -0.457 -0.417 1 5.46 -6.51 -25.37 5.60 -7.52 -24.00 5.69 -6.33 -25.20 0.0036 0.286439 0.36 7 0.786 -0.457 -0.417 0.786 -0.457 -0.417 0.677 -0.557 -0.480 1 5.60 -7.52 -24.00 5.69 -6.33 -25.20 5.81 -7.16 -24.08 0.0036 0.286439 0.36 7 0.786 -0.457 -0.417 0.677 -0.557 -0.480 0.677 -0.557 -0.480 1 5.69 -6.33 -25.20 5.81 -7.16 -24.08 5.96 -6.17 -25.07 0.0036 0.286439 0.36 7 0.677 -0.557 -0.480 0.677 -0.557 -0.480 0.555 -0.641 -0.530 1 5.81 -7.16 -24.08 5.96 -6.17 -25.07 6.05 -6.81 -24.19 0.0036 0.286439 0.36 7 0.677 -0.557 -0.480 0.555 -0.641 -0.530 0.555 -0.641 -0.530 1 5.96 -6.17 -25.07 6.05 -6.81 -24.19 6.25 -6.02 -24.99 0.0036 0.286439 0.36 7 0.555 -0.641 -0.530 0.555 -0.641 -0.530 0.421 -0.709 -0.566 1 6.05 -6.81 -24.19 6.25 -6.02 -24.99 6.32 -6.50 -24.34 0.0036 0.286439 0.36 7 0.555 -0.641 -0.530 0.421 -0.709 -0.566 0.421 -0.709 -0.566 1 6.25 -6.02 -24.99 6.32 -6.50 -24.34 6.56 -5.88 -24.98 0.0036 0.286439 0.36 7 0.421 -0.709 -0.566 0.421 -0.709 -0.566 0.277 -0.760 -0.589 1 6.32 -6.50 -24.34 6.56 -5.88 -24.98 6.61 -6.23 -24.51 0.0036 0.286439 0.36 7 0.421 -0.709 -0.566 0.277 -0.760 -0.589 0.277 -0.760 -0.589 1 6.56 -5.88 -24.98 6.61 -6.23 -24.51 6.88 -5.73 -25.07 0.0036 0.286439 0.36 7 0.277 -0.760 -0.589 0.277 -0.760 -0.589 0.123 -0.793 -0.597 1 6.61 -6.23 -24.51 6.88 -5.73 -25.07 6.92 -6.00 -24.71 0.0036 0.286439 0.36 7 0.277 -0.760 -0.589 0.123 -0.793 -0.597 0.123 -0.793 -0.597 1 6.88 -5.73 -25.07 6.92 -6.00 -24.71 7.20 -5.58 -25.25 0.0036 0.286439 0.36 7 0.123 -0.793 -0.597 0.123 -0.793 -0.597 -0.038 -0.806 -0.591 1 6.92 -6.00 -24.71 7.20 -5.58 -25.25 7.24 -5.81 -24.93 0.0036 0.286439 0.36 7 0.123 -0.793 -0.597 -0.038 -0.806 -0.591 -0.038 -0.806 -0.591 3 7.23 -5.48 -24.93 0.20 7.35 -5.43 -25.08 0.20 0.04 0.817216 1 3 7.35 -5.43 -25.08 0.20 7.45 -5.45 -25.29 0.20 0.04 0.817216 1 3 7.45 -5.45 -25.29 0.20 7.52 -5.53 -25.53 0.20 0.04 0.817216 1 3 7.52 -5.53 -25.53 0.20 7.57 -5.65 -25.80 0.20 0.04 0.817216 1 3 7.57 -5.65 -25.80 0.20 7.60 -5.81 -26.09 0.20 0.04 0.817216 1 3 7.60 -5.81 -26.09 0.20 7.62 -5.99 -26.39 0.20 0.04 0.817216 1 3 7.62 -5.99 -26.39 0.20 7.63 -6.19 -26.69 0.20 0.04 0.817216 1 3 7.63 -6.19 -26.69 0.20 7.63 -6.39 -26.98 0.20 0.04 0.817216 1 3 7.63 -6.39 -26.98 0.20 7.64 -6.58 -27.25 0.20 0.04 0.817216 1 3 7.64 -6.58 -27.25 0.20 7.64 -6.75 -27.49 0.20 0.04 0.817216 1 3 7.64 -6.75 -27.49 0.20 7.65 -6.91 -27.71 0.20 0.04 0.817216 1 3 7.65 -6.91 -27.71 0.20 7.65 -7.07 -27.92 0.20 0.04 0.817216 1 3 7.65 -7.07 -27.92 0.20 7.64 -7.24 -28.13 0.20 0.04 0.817216 1 3 7.64 -7.24 -28.13 0.20 7.62 -7.41 -28.33 0.20 0.04 0.817216 1 3 7.62 -7.41 -28.33 0.20 7.60 -7.59 -28.53 0.20 0.04 0.817216 1 3 7.60 -7.59 -28.53 0.20 7.57 -7.78 -28.72 0.20 0.04 0.817216 1 3 7.57 -7.78 -28.72 0.20 7.54 -7.97 -28.90 0.20 0.04 0.817216 1 3 7.54 -7.97 -28.90 0.20 7.50 -8.17 -29.07 0.20 0.04 0.817216 1 3 7.50 -8.17 -29.07 0.20 7.47 -8.38 -29.23 0.20 0.04 0.817216 1 3 7.47 -8.38 -29.23 0.20 7.42 -8.60 -29.39 0.20 0.04 0.817216 1 3 7.42 -8.60 -29.39 0.20 7.38 -8.82 -29.54 0.20 0.04 0.817216 1 3 7.38 -8.82 -29.54 0.20 7.33 -9.05 -29.68 0.20 0.04 0.817216 1 3 7.33 -9.05 -29.68 0.20 7.28 -9.29 -29.81 0.20 0.04 0.817216 1 3 7.28 -9.29 -29.81 0.20 7.22 -9.54 -29.94 0.20 0.04 0.817216 1 3 7.22 -9.54 -29.94 0.20 7.16 -9.79 -30.05 0.20 0.04 0.817216 1 3 7.16 -9.79 -30.05 0.20 7.10 -10.05 -30.16 0.20 0.04 0.817216 1 3 7.10 -10.05 -30.16 0.20 7.03 -10.32 -30.26 0.20 0.04 0.817216 1 3 7.03 -10.32 -30.26 0.20 6.95 -10.58 -30.35 0.20 0.04 0.817216 1 3 6.95 -10.58 -30.35 0.20 6.88 -10.85 -30.44 0.20 0.04 0.817216 1 3 6.88 -10.85 -30.44 0.20 6.80 -11.11 -30.51 0.20 0.04 0.817216 1 3 6.80 -11.11 -30.51 0.20 6.72 -11.38 -30.57 0.20 0.04 0.817216 1 3 6.72 -11.38 -30.57 0.20 6.63 -11.66 -30.62 0.20 0.04 0.817216 1 3 6.63 -11.66 -30.62 0.20 6.55 -11.94 -30.67 0.20 0.04 0.817216 1 3 6.55 -11.94 -30.67 0.20 6.45 -12.22 -30.70 0.20 0.04 0.817216 1 3 6.45 -12.22 -30.70 0.20 6.36 -12.51 -30.73 0.20 0.04 0.817216 1 3 6.36 -12.51 -30.73 0.20 6.26 -12.79 -30.74 0.20 0.04 0.817216 1 3 6.26 -12.79 -30.74 0.20 6.16 -13.08 -30.75 0.20 0.04 0.817216 1 3 6.16 -13.08 -30.75 0.20 6.05 -13.37 -30.75 0.20 0.04 0.817216 1 3 6.05 -13.37 -30.75 0.20 5.94 -13.65 -30.73 0.20 0.04 0.817216 1 3 5.94 -13.65 -30.73 0.20 5.83 -13.94 -30.71 0.20 0.04 0.817216 1 3 5.83 -13.94 -30.71 0.20 5.70 -14.22 -30.66 0.20 0.04 0.817216 1 3 5.70 -14.22 -30.66 0.20 5.57 -14.50 -30.58 0.20 0.04 0.817216 1 3 5.57 -14.50 -30.58 0.20 5.43 -14.78 -30.48 0.20 0.04 0.817216 1 3 5.43 -14.78 -30.48 0.20 5.28 -15.06 -30.36 0.20 0.04 0.817216 1 3 5.28 -15.06 -30.36 0.20 5.13 -15.35 -30.24 0.20 0.04 0.817216 1 3 5.13 -15.35 -30.24 0.20 4.98 -15.63 -30.12 0.20 0.04 0.817216 1 3 4.98 -15.63 -30.12 0.20 4.84 -15.91 -30.03 0.20 0.04 0.817216 1 3 4.84 -15.91 -30.03 0.20 4.71 -16.21 -29.96 0.20 0.04 0.817216 1 3 4.71 -16.21 -29.96 0.20 4.59 -16.50 -29.94 0.20 0.04 0.817216 1 3 4.59 -16.50 -29.94 0.20 4.49 -16.80 -29.96 0.20 0.04 0.817216 1 1 3.74 -16.48 -30.62 5.46 -17.16 -29.86 3.62 -16.81 -30.65 0.04 0.817216 1 7 0.377 -0.068 -0.924 0.377 -0.068 -0.924 0.354 -0.110 -0.923 1 5.46 -17.16 -29.86 3.62 -16.81 -30.65 5.35 -17.48 -29.91 0.04 0.817216 1 7 0.377 -0.068 -0.924 0.354 -0.110 -0.923 0.354 -0.110 -0.923 1 3.62 -16.81 -30.65 5.35 -17.48 -29.91 3.47 -17.26 -30.71 0.04 0.817216 1 7 0.354 -0.110 -0.923 0.354 -0.110 -0.923 0.331 -0.151 -0.922 1 5.35 -17.48 -29.91 3.47 -17.26 -30.71 5.21 -17.92 -29.98 0.04 0.817216 1 7 0.354 -0.110 -0.923 0.331 -0.151 -0.922 0.331 -0.151 -0.922 1 3.47 -17.26 -30.71 5.21 -17.92 -29.98 3.29 -17.78 -30.78 0.04 0.817216 1 7 0.331 -0.151 -0.922 0.331 -0.151 -0.922 0.307 -0.193 -0.921 1 5.21 -17.92 -29.98 3.29 -17.78 -30.78 5.03 -18.44 -30.06 0.04 0.817216 1 7 0.331 -0.151 -0.922 0.307 -0.193 -0.921 0.307 -0.193 -0.921 1 3.29 -17.78 -30.78 5.03 -18.44 -30.06 3.09 -18.33 -30.83 0.04 0.817216 1 7 0.307 -0.193 -0.921 0.307 -0.193 -0.921 0.284 -0.234 -0.920 1 5.03 -18.44 -30.06 3.09 -18.33 -30.83 4.84 -18.99 -30.12 0.04 0.817216 1 7 0.307 -0.193 -0.921 0.284 -0.234 -0.920 0.284 -0.234 -0.920 1 3.09 -18.33 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1.98 0.05 1 1 1 3 4.77 -4.51 1.98 0.05 4.85 -4.49 1.98 0.05 1 1 1 3 4.85 -4.49 1.98 0.05 4.93 -4.49 1.98 0.05 1 1 1 3 4.93 -4.49 1.98 0.05 5.01 -4.51 1.98 0.05 1 1 1 3 5.01 -4.51 1.98 0.05 5.07 -4.57 1.98 0.05 1 1 1 3 5.07 -4.57 1.98 0.05 5.10 -4.65 1.98 0.05 1 1 1 3 5.10 -4.65 1.98 0.05 5.10 -4.71 1.98 0.05 1 1 1 3 5.10 -4.71 1.98 0.05 5.07 -4.79 1.98 0.05 1 1 1 3 5.07 -4.79 1.98 0.05 5.01 -4.84 1.98 0.05 1 1 1 3 5.01 -4.84 1.98 0.05 4.93 -4.87 1.98 0.05 1 1 1 3 4.93 -4.87 1.98 0.05 4.85 -4.87 1.98 0.05 1 1 1 3 4.85 -4.87 1.98 0.05 4.77 -4.84 1.98 0.05 1 1 1 3 4.77 -4.84 1.98 0.05 4.74 -4.82 1.98 0.05 1 1 1 3 4.74 -4.82 1.98 0.05 4.71 -4.76 1.98 0.05 1 1 1 3 5.61 -4.29 1.98 0.05 5.33 -4.87 1.98 0.05 1 1 1 3 5.22 -4.29 1.98 0.05 5.61 -4.29 1.98 0.05 1 1 1 Raster3D_3.0-2/./examples/example5.r3d0000664000471100047110000000025111327673235017300 0ustar merrittmerritt@example3.r3d # # Reset orientation matrix for grasp surface @ex5_matrix.r3d # # Transparent surface @transparent # # auto-uncompression of surface file @gal_srf.r3d.gz Raster3D_3.0-2/./qinp.f0000664000471100047110000002020411334377140014440 0ustar merrittmerritt************************************************************************ * Support routines for quadric surfaces * ************************************************************************ * EAM Jun 1997 - initial version, supports version 2.4(alpha) of render * EAM May 1998 - additional error checking to go with Parvati/rastep * EAM Jan 1999 - version 2.4i * EAM Mar 2008 - Gfortran optimization breaks the object accounting. * No solution yet. Break qinp.f into separate file ************************************************************************ * * Quadric surfaces include spheres, cones, ellipsoids, paraboloids, and * hyperboloids. The motivation for this code was to allow rendering * thermal ellipsoids for atoms, so the other shapes have not been * extensively tested. * A quadric surface is described by 10 parameters (A ... J). * For efficiency during rendering it is also useful to know the center and * a bounding sphere. So a QUADRIC descriptor to render has 17 parameters: * 14 (object type QUADRIC) * X Y Z RADLIM RED GRN BLU * A B C D E F G H I J * * The surface itself is the set of points for which Q(x,y,z) = 0 * where * Q(x,y,z) = A*x^2 + B*y^2 + C*z^2 * + 2D*x*y + 2E*y*z + 2F*z*x * + 2G*x + 2H*y + 2I*z * + J * * It is convenient to store this information in a matrix QQ * | QA QD QF QG | QA = A QB = B QC = C * QQ = | QD QB QE QH | QD = D QE = E QF = F * | QF QE QC QI | QG = G QH = H QI = I * | QG QH QI QJ | QJ = J * * Then Q(x,y,x) = XT*QQ*X where X = (x,y,z,1) * The point of this is that a 4x4 homogeneous transformation T can be * applied to QQ by matrix multiplication: QQ' = TinvT * QQ * Tinv * * The surface normal is easily found by taking the partial derivatives * of Q(x,y,z) at the point of interest. ************************************************************************ * TO DO: * - can we distinguish an ellipsoid from other quadrics? Do we care? * - fix optimization problems with qinp ************************************************************************ CCC Process single object descriptor during input phase CC C function qinp( buf, detail, shadow, sdtail ) * Use MODULE LISTS not COMMON /LISTS/ for dynamic allocation USE LISTS * IMPLICIT NONE logical qinp real buf(100) real detail(17), sdtail(14) logical shadow * real QQ(4,4), QP(4,4), QT(4,4) real xq, yq, zq, radlim, red, grn, blu real xc, yc, zc, rc real xr, yr, zr, xs, ys, zs, rs real pfac * integer ix,iy,ixlo,ixhi,iylo,iyhi c VOLATILE ix,iy,ixlo,ixhi,iylo,iyhi * * Array sizes INCLUDE 'parameters.incl' * EXTERNAL PERSP REAL PERSP * COMMON /RASTER/ NTX,NTY,NPX,NPY INTEGER NTX,NTY,NPX,NPY * COMMON /MATRICES/ XCENT, YCENT, SCALE, EYEPOS, SXCENT, SYCENT, & TMAT, TINV, TINVT, SROT, SRTINV, SRTINVT & ,RAFTER, TAFTER REAL XCENT, YCENT, SCALE, EYEPOS, SXCENT, SYCENT REAL TMAT(4,4), TINV(4,4), TINVT(4,4) REAL SROT(4,4), SRTINV(4,4), SRTINVT(4,4) REAL RAFTER(4,4), TAFTER(3) * C Replace COMMON with MODULE C COMMON /LISTS/ KOUNT, MOUNT, TTRANS, ISTRANS C INTEGER KOUNT(MAXNTX,MAXNTY), MOUNT(NSX,NSY) C INTEGER TTRANS(MAXNTX,MAXNTY), ISTRANS * COMMON /NICETIES/ TRULIM, ZLIM, FRONTCLIP, BACKCLIP & , ISOLATION REAL TRULIM(3,2), ZLIM(2), FRONTCLIP, BACKCLIP LOGICAL ISOLATION * * Assume this is legitimate qinp = .TRUE. * * Update limits (have to trust the center coords) * xq = buf(1) yq = buf(2) zq = buf(3) radlim = buf(4) call assert(radlim.ge.0,'limiting radius < 0 in quadric') if (radlim.gt.0) then trulim(1,1) = MIN( trulim(1,1), xq) trulim(1,2) = MAX( trulim(1,2), xq) trulim(2,1) = MIN( trulim(2,1), yq) trulim(2,2) = MAX( trulim(2,2), yq) trulim(3,1) = MIN( trulim(3,1), zq) trulim(3,2) = MAX( trulim(3,2), zq) endif * * Standard color checks * red = buf(5) grn = buf(6) blu = buf(7) call assert(red.ge.0,'red < 0 in quadric') call assert(red.le.1,'red > 1 in quadric') call assert(grn.ge.0,'grn < 0 in quadric') call assert(grn.le.1,'grn > 1 in quadric') call assert(blu.ge.0,'blu < 0 in quadric') call assert(blu.le.1,'blu > 1 in quadric') * * Transform center before saving * (But can we deal with perspective????) * call transf (xq, yq, zq) radlim = radlim / TMAT(4,4) if (eyepos.gt.0) then c pfac = 1./(1.-zq/eyepos) pfac = persp(zq) xq = xq * pfac yq = yq * pfac zq = zq * pfac radlim = radlim * pfac endif xc = xq * scale + xcent yc = yq * scale + ycent zc = zq * scale rc = radlim * scale * save transformed Z limits zlim(1) = min( zlim(1), zc ) zlim(2) = max( zlim(2), zc ) * * check for Z-clipping if (zc.gt.FRONTCLIP .or. zc.lt.BACKCLIP) then qinp = .FALSE. return endif * detail(1) = xc detail(2) = yc detail(3) = zc detail(4) = rc detail(5) = red detail(6) = grn detail(7) = blu * * This is a terrible kludge, but necessary if called from normal3d -size BIGxBIG * Thes test should really be if we are called from normal3d but no flag for that if (ntx.gt.size(kount,1) .or. nty.gt.size(kount,2)) goto 101 * * Tally for tiles the object might impinge on * Again we are relying on the correctness of the center coordinates * ixlo = (xc-rc) / npx + 1 ixhi = (xc+rc) / npx + 1 iylo = (yc-rc) / npy + 1 iyhi = (yc+rc) / npy + 1 if (ixlo.lt.1) ixlo = 1 if (ixlo.gt.NTX) goto 101 if (ixhi.lt.1) goto 101 if (ixhi.gt.NTX) ixhi = NTX if (iylo.lt.1) iylo = 1 if (iylo.gt.NTY) goto 101 if (iyhi.lt.1) goto 101 if (iyhi.gt.NTY) iyhi = NTY do iy = iylo,iyhi do ix = ixlo,ixhi KOUNT(ix,iy) = KOUNT(ix,iy) + 1 TTRANS(ix,iy) = TTRANS(ix,iy) + istrans enddo enddo 101 continue * * build matrix from coeffients describing quadric surface in standard form * qq(1,1) = buf(8) qq(2,2) = buf(9) qq(3,3) = buf(10) qq(1,2) = buf(11) qq(2,1) = buf(11) qq(2,3) = buf(12) qq(3,2) = buf(12) qq(1,3) = buf(13) qq(3,1) = buf(13) qq(1,4) = buf(14) qq(4,1) = buf(14) qq(2,4) = buf(15) qq(4,2) = buf(15) qq(3,4) = buf(16) qq(4,3) = buf(16) qq(4,4) = buf(17) * * Transformed matrix QP = TINV(Transpose) * QQ * TINV * where TINV is the inverse of TMAT * call tmul4( qt, qq, tinv ) call tmul4( qp, tinvt, qt ) CD noise = 0 CD write (noise,191) 'QT ',((QT(i,j),j=1,4),i=1,4) CD 191 format(a,4(/,4f8.4)) CD write (noise,191) 'QP ',((QP(i,j),j=1,4),i=1,4) * * Save components of quadric surface built from transformed matrix * for use during rendering * detail(8) = qp(1,1) detail(9) = qp(2,2) detail(10) = qp(3,3) detail(11) = qp(1,2) detail(12) = qp(2,3) detail(13) = qp(1,3) detail(14) = qp(1,4) detail(15) = qp(2,4) detail(16) = qp(3,4) detail(17) = qp(4,4) * * Do it all over again for the shadow buffers NOT TESTED YET! * (since I'm a little confused about what transformation * I need to apply to the QQ matrix in shadow space) * if (.not.shadow) return * first transform center and limiting sphere xr = srot(1,1)*xq + srot(1,2)*yq + srot(1,3)*zq yr = srot(2,1)*xq + srot(2,2)*yq + srot(2,3)*zq zr = srot(3,1)*xq + srot(3,2)*yq + srot(3,3)*zq xs = xr * scale + sxcent ys = yr * scale + sycent zs = zr * scale rs = radlim * scale sdtail(1) = xs sdtail(2) = ys sdtail(3) = zs sdtail(4) = rs * tally shadow tiles the object might impinge on ixlo = (xs-rs) / npx + 1 ixhi = (xs+rs) / npx + 1 iylo = (ys-rs) / npy + 1 iyhi = (ys+rs) / npy + 1 if (ixlo.lt.1) ixlo = 1 if (ixlo.gt.NSX) goto 209 if (ixhi.lt.1) goto 209 if (ixhi.gt.NSX) ixhi = NSX if (iylo.lt.1) iylo = 1 if (iylo.gt.NSY) goto 209 if (iyhi.lt.1) goto 209 if (iyhi.gt.NSY) iyhi = NSY do iy = iylo,iyhi do ix = ixlo,ixhi MOUNT(ix,iy) = MOUNT(ix,iy) + 1 enddo enddo * transform QQ into shadow space as well call tmul4( qt, qp, srtinv ) call tmul4( qp, srtinvt, qt ) sdtail(5) = qp(1,1) sdtail(6) = qp(2,2) sdtail(7) = qp(3,3) sdtail(8) = qp(1,2) sdtail(9) = qp(2,3) sdtail(10) = qp(1,3) sdtail(11) = qp(1,4) sdtail(12) = qp(2,4) sdtail(13) = qp(3,4) sdtail(14) = qp(4,4) * 209 continue * * Done with input * return end Raster3D_3.0-2/./materials/0000775000471100047110000000000011522570626015310 5ustar merrittmerrittRaster3D_3.0-2/./materials/lightblue.r3d0000664000471100047110000000013611327673235017704 0ustar merrittmerritt# light blue plastic 8 35. -1.0 1.0 1.0 1.0 0.0 0 0 0 1 SOLID 0.460 0.718 0.814 Raster3D_3.0-2/./materials/2-sided.r3d0000664000471100047110000000031711327673235017155 0ustar merrittmerritt# Here is an example of specifying a double-sided material # The front is solid red, the back is solid blue matte 8 20. -1. 1.0 1.0 1.0 0.0 0 0 0 2 SOLID 1.0 0.0 0.0 BACKFACE 0.0 0.5 1.0 0 0 Raster3D_3.0-2/./materials/cyan.r3d0000664000471100047110000000013211327673235016653 0ustar merrittmerritt# cyan plastic 8 35. -1.0 1.0 1.0 1.0 0.0 0 0 0 1 SOLID 0.000 0.700 0.700 Raster3D_3.0-2/./materials/transparent0.r3d0000664000471100047110000000014611327673235020347 0ustar merrittmerritt# Material description for 80% transparent surface 8 17. 0.6 1.0 1.0 1.0 0.8 0 0 0 0 Raster3D_3.0-2/./materials/lightgreen.r3d0000664000471100047110000000013711327673235020056 0ustar merrittmerritt# light green plastic 8 35. -1.0 1.0 1.0 1.0 0.0 0 0 0 1 SOLID 0.355 0.969 0.355 Raster3D_3.0-2/./materials/silver.r3d0000664000471100047110000000011011327673235017221 0ustar merrittmerritt# silver 8 8. 0.4 1.0 1.0 0.3 0.0 0 0 0 1 SOLID 0.45 0.45 0.5 Raster3D_3.0-2/./materials/translucent_30.r3d0000664000471100047110000000036111327673235020571 0ustar merrittmerritt# Material description for coloured translucent surface. # # The -1.0 values mean that specular highlights will get the base color # of the object. # # The material will be 30% transparent. 8 17. 0.6 -1.0 -1.0 -1.0 0.30 0 0 0 0 Raster3D_3.0-2/./materials/residue.colours0000664000471100047110000000536611327673235020375 0ustar merrittmerrittCOLOUR#######CU############### 0.250 0.000 0.500 2.40 COLOUR#######FE############### 0.500 0.000 0.250 2.40 COLOUR#######CA2############## 0.159 0.0 0.159 2.00 COLOUR#######CA2## ########## 0.159 0.0 0.159 2.00 COLOUR###########GLY########## 1.000 1.000 1.000 2.00 COLOUR###########G ########## 1.000 1.000 1.000 2.00 COLOUR###########PRO########## 0.100 0.100 0.100 2.00 COLOUR###########P ########## 0.100 0.100 0.100 2.00 COLOUR###########CPR########## 0.100 0.100 0.100 2.00 COLOUR###########ALA########## 0.398 1.000 0.398 2.00 COLOUR###########A ########## 0.398 1.000 0.398 2.00 COLOUR###########VAL########## 0.100 0.398 0.100 2.00 COLOUR###########V ########## 0.100 0.398 0.100 2.00 COLOUR###########LEU########## 0.025 0.159 0.025 2.00 COLOUR###########L ########## 0.025 0.159 0.025 2.00 COLOUR###########ILE########## 0.0 0.063 0.0 2.00 COLOUR###########I ########## 0.0 0.063 0.0 2.00 COLOUR###########ASN########## 1.000 0.316 0.251 2.00 COLOUR###########N ########## 1.000 0.316 0.251 2.00 COLOUR###########GLN########## 1.000 0.063 0.063 2.00 COLOUR###########Q ########## 1.000 0.063 0.063 2.00 COLOUR###########ASP########## 0.501 0.0 0.013 2.00 COLOUR###########D ########## 0.501 0.0 0.013 2.00 COLOUR###########GLU########## 0.200 0.0 0.0 2.00 COLOUR###########E ########## 0.200 0.0 0.0 2.00 COLOUR###########HIS########## 0.251 0.251 1.000 2.00 COLOUR###########H ########## 0.251 0.251 1.000 2.00 COLOUR###########LYS########## 0.040 0.040 0.631 2.00 COLOUR###########K ########## 0.040 0.040 0.631 2.00 COLOUR###########ARG########## 0.0 0.0 0.316 2.00 COLOUR###########R ########## 0.0 0.0 0.316 2.00 COLOUR###########CYS########## 1.000 1.000 0.251 2.00 COLOUR###########C ########## 1.000 1.000 0.251 2.00 COLOUR###########MET########## 0.631 0.501 0.013 2.00 COLOUR###########M ########## 0.631 0.501 0.013 2.00 COLOUR###########SER########## 1.000 0.251 0.013 2.00 COLOUR###########S ########## 1.000 0.251 0.013 2.00 COLOUR###########THR########## 0.631 0.063 0.0 2.00 COLOUR###########T ########## 0.631 0.063 0.0 2.00 COLOUR###########TYR########## 0.398 0.251 0.063 2.00 COLOUR###########Y ########## 0.398 0.251 0.063 2.00 COLOUR###########PHE########## 0.100 0.063 0.013 2.00 COLOUR###########F ########## 0.100 0.063 0.013 2.00 COLOUR###########TRP########## 0.079 0.031 0.0 2.00 COLOUR###########W ########## 0.079 0.031 0.0 2.00 COLOUR######################## 0.777 0.000 0.777 1.00 Raster3D_3.0-2/./materials/blue.r3d0000664000471100047110000000013211327673235016650 0ustar merrittmerritt# blue plastic 8 35. -1.0 1.0 1.0 1.0 0.0 0 0 0 1 SOLID 0.100 0.100 0.900 Raster3D_3.0-2/./materials/matte.r3d0000664000471100047110000000005311327673235017035 0ustar merrittmerritt8 1. 0.0 1.0 1.0 1.0 0.0 0 0 0 0 Raster3D_3.0-2/./materials/transparent1.r3d0000664000471100047110000000031511327673235020346 0ustar merrittmerritt# Material description for fancier (expensive) coloured transparent surface. # MOPT=1 means that only the "top" surface of the material will be rendered. 8 17. 0.6 -1.0 -1.0 -1.0 0.9 1 0 0 0 Raster3D_3.0-2/./materials/floor.r3d0000664000471100047110000000035311327673235017047 0ustar merrittmerritt# floor.r3d # # Plane running underneath the center of the scene, # in transformation-free coordinates so that it can be mixed with # most existing scene descriptions. # 15 6 -1.0 0.0 -1.0 0.0 -3.0 3.0 1.0 0.0 -1.0 0.0 0.1 1.0 9 Raster3D_3.0-2/./materials/backdrop_3.r3d0000664000471100047110000000036511327673235017740 0ustar merrittmerritt9 19 1 -0.60 0.60 -0.75 0.60 0.60 -0.75 -0.60 -0.60 -0.75 0 0 0 17 0.77 0.77 0.5 0.77 0.77 0.5 0.0 0.0 0.2 1 -0.60 -0.60 -0.75 0.60 0.60 -0.751 0.60 -0.60 -0.75 0 0 0 17 0.0 0.0 0.2 0.77 0.77 0.5 0.0 0.0 0.2 9 Raster3D_3.0-2/./materials/backface.r3d0000664000471100047110000000060311327673235017443 0ustar merrittmerritt# Here is an example of specifying a double-sided material # The front uses default header values for IPHONG, SPECULAR, etc # and takes its color (in this case) from the individual objects. # The back side is colored (in this case) greenish-grey, and again # uses the default header values for IPHONG, SPECULAR. 8 -1. -1. 1.0 1.0 1.0 0.0 0 0 0 1 BACKFACE 0.4 0.4 0.6 -1 -1 Raster3D_3.0-2/./materials/translucent_60.r3d0000664000471100047110000000036111327673235020574 0ustar merrittmerritt# Material description for coloured translucent surface. # # The -1.0 values mean that specular highlights will get the base color # of the object. # # The material will be 60% transparent. 8 17. 0.6 -1.0 -1.0 -1.0 0.60 0 0 0 0 Raster3D_3.0-2/./materials/darkblue.r3d0000664000471100047110000000013511327673235017515 0ustar merrittmerritt# dark blue plastic 8 35. -1.0 1.0 1.0 1.0 0.0 0 0 0 1 SOLID 0.000 0.000 0.297 Raster3D_3.0-2/./materials/translucent.r3d0000664000471100047110000000036111327673235020267 0ustar merrittmerritt# Material description for coloured translucent surface. # # The -1.0 values mean that specular highlights will get the base color # of the object. # # The material will be 40% transparent. 8 17. 0.6 -1.0 -1.0 -1.0 0.4 0 0 0 0 Raster3D_3.0-2/./materials/black.r3d0000664000471100047110000000013111327673235016774 0ustar merrittmerritt# black matte 8 35. -1.0 0.2 0.2 0.2 0.0 0 0 0 1 SOLID 0.000 0.000 0.000 Raster3D_3.0-2/./materials/forestgreen.r3d0000664000471100047110000000013311327673235020245 0ustar merrittmerritt# green plastic 8 35. -1.0 1.0 1.0 1.0 0.0 0 0 0 1 SOLID 0.018 0.297 0.018 Raster3D_3.0-2/./materials/orange.r3d0000664000471100047110000000013411327673235017176 0ustar merrittmerritt# orange plastic 8 35. -1.0 1.0 1.0 1.0 0.0 0 0 0 1 SOLID 0.871 0.214 0.000 Raster3D_3.0-2/./materials/lightyellow.r3d0000664000471100047110000000014411327673235020267 0ustar merrittmerritt# light yellow plastic 8 35. -1.0 1.0 1.0 1.0 0.0 0 0 0 1 SOLID 0.871 0.842 0.394 Raster3D_3.0-2/./materials/yellow.r3d0000664000471100047110000000013411327673235017236 0ustar merrittmerritt# yellow plastic 8 35. -1.0 1.0 1.0 1.0 0.0 0 0 0 1 SOLID 1.000 1.000 0.000 Raster3D_3.0-2/./materials/translucent_90.r3d0000664000471100047110000000036111327673235020577 0ustar merrittmerritt# Material description for coloured translucent surface. # # The -1.0 values mean that specular highlights will get the base color # of the object. # # The material will be 90% transparent. 8 17. 0.6 -1.0 -1.0 -1.0 0.90 0 0 0 0 Raster3D_3.0-2/./materials/lilac.r3d0000664000471100047110000000013311327673235017006 0ustar merrittmerritt# lilac plastic 8 35. -1.0 1.0 1.0 1.0 0.0 0 0 0 1 SOLID 0.700 0.300 0.900 Raster3D_3.0-2/./materials/bronze.r3d0000664000471100047110000000017711327673235017231 0ustar merrittmerritt# Bronze # This material should look metallic (yellow highlights) 8 5. 0.6 1.0 1.0 0.0 0.0 0 0 0 1 SOLID 0.9 0.2 0.1 Raster3D_3.0-2/./materials/backdrop_1.r3d0000664000471100047110000000036311327673235017734 0ustar merrittmerritt9 19 1 -0.60 0.60 -0.75 0.60 0.60 -0.75 -0.60 -0.60 -0.75 0 0 0 17 0.5 0.77 0.77 0.5 0.77 0.77 0.2 0.0 0.0 1 -0.60 -0.60 -0.75 0.60 0.60 -0.751 0.60 -0.60 -0.75 0 0 0 17 0.2 0.0 0.0 0.5 0.77 0.77 0.2 0.0 0.0 9 Raster3D_3.0-2/./materials/lightgrey.r3d0000664000471100047110000000013611327673235017723 0ustar merrittmerritt# light grey plastic 8 35. -1.0 1.0 1.0 1.0 0.0 0 0 0 1 SOLID 0.685 0.685 0.685 Raster3D_3.0-2/./materials/purple.r3d0000664000471100047110000000013411327673235017232 0ustar merrittmerritt# Purple plastic 8 35. -1.0 1.0 1.0 1.0 0.0 0 0 0 1 SOLID 0.700 0.000 0.700 Raster3D_3.0-2/./materials/shapely.colours0000664000471100047110000004636711327673235020410 0ustar merrittmerrittCOLOUR#######CU############### 0.250 0.000 0.500 2.40 COLOUR#######FE############### 0.500 0.000 0.250 2.40 COLOUR#######CA2############## 0.159 0.0 0.159 2.00 COLOUR#######CA2## ########## 0.159 0.0 0.159 2.00 COLOUR#######CA ############## 0.631 0.631 0.631 1.70 COLOUR#######CA ## ########## 0.631 0.631 0.631 1.70 COLOUR#######C' ############## 0.631 0.631 0.631 1.70 COLOUR#######C' ## ########## 0.631 0.631 0.631 1.70 COLOUR#######C ############## 0.631 0.631 0.631 1.70 COLOUR#######C ## ########## 0.631 0.631 0.631 1.70 COLOUR#######N ############## 0.631 0.631 0.631 1.60 COLOUR#######N ## ########## 0.631 0.631 0.631 1.60 COLOUR#######O ############## 0.631 0.631 0.631 1.50 COLOUR#######O ## ########## 0.631 0.631 0.631 1.50 COLOUR#######OT ############## 0.631 0.631 0.631 1.50 COLOUR#######OT ## ########## 0.631 0.631 0.631 1.50 COLOUR#######S ############## 0.631 0.631 0.631 1.85 COLOUR#######S ## ########## 0.631 0.631 0.631 1.85 COLOUR#######HA ############## 0.631 0.631 0.631 1.20 COLOUR#######HA ## ########## 0.631 0.631 0.631 1.20 COLOUR#######H ############## 0.631 0.631 0.631 1.20 COLOUR#######H ## ########## 0.631 0.631 0.631 1.20 COLOUR#######P ############## 0.631 0.631 0.631 1.80 COLOUR#######P ## ########## 0.631 0.631 0.631 1.80 COLOUR#######C###GLY########## 1.000 1.000 1.000 1.70 COLOUR#######C###G ########## 1.000 1.000 1.000 1.70 COLOUR#######N###GLY########## 1.000 1.000 1.000 1.60 COLOUR#######N###G ########## 1.000 1.000 1.000 1.60 COLOUR#######O###GLY########## 1.000 1.000 1.000 1.50 COLOUR#######O###G ########## 1.000 1.000 1.000 1.50 COLOUR#######S###GLY########## 1.000 1.000 1.000 1.85 COLOUR#######S###G ########## 1.000 1.000 1.000 1.85 COLOUR#######H###GLY########## 1.000 1.000 1.000 1.20 COLOUR#######H###G ########## 1.000 1.000 1.000 1.20 COLOUR#######P###GLY########## 1.000 1.000 1.000 1.80 COLOUR#######P###G ########## 1.000 1.000 1.000 1.80 COLOUR###########GLY########## 1.000 1.000 1.000 2.00 COLOUR###########G ########## 1.000 1.000 1.000 2.00 COLOUR#######C###PRO########## 0.100 0.100 0.100 1.70 COLOUR#######C###P ########## 0.100 0.100 0.100 1.70 COLOUR#######N###PRO########## 0.100 0.100 0.100 1.60 COLOUR#######N###P ########## 0.100 0.100 0.100 1.60 COLOUR#######O###PRO########## 0.100 0.100 0.100 1.50 COLOUR#######O###P ########## 0.100 0.100 0.100 1.50 COLOUR#######S###PRO########## 0.100 0.100 0.100 1.85 COLOUR#######S###P ########## 0.100 0.100 0.100 1.85 COLOUR#######H###PRO########## 0.100 0.100 0.100 1.20 COLOUR#######H###P ########## 0.100 0.100 0.100 1.20 COLOUR#######P###PRO########## 0.100 0.100 0.100 1.80 COLOUR#######P###P ########## 0.100 0.100 0.100 1.80 COLOUR###########PRO########## 0.100 0.100 0.100 2.00 COLOUR###########P ########## 0.100 0.100 0.100 2.00 COLOUR#######C###CPR########## 0.100 0.100 0.100 1.70 COLOUR#######N###CPR########## 0.100 0.100 0.100 1.60 COLOUR#######O###CPR########## 0.100 0.100 0.100 1.50 COLOUR#######S###CPR########## 0.100 0.100 0.100 1.85 COLOUR#######H###CPR########## 0.100 0.100 0.100 1.20 COLOUR#######P###CPR########## 0.100 0.100 0.100 1.80 COLOUR###########CPR########## 0.100 0.100 0.100 2.00 COLOUR#######C###ALA########## 0.398 1.000 0.398 1.70 COLOUR#######C###A ########## 0.398 1.000 0.398 1.70 COLOUR#######N###ALA########## 0.398 1.000 0.398 1.60 COLOUR#######N###A ########## 0.398 1.000 0.398 1.60 COLOUR#######O###ALA########## 0.398 1.000 0.398 1.50 COLOUR#######O###A ########## 0.398 1.000 0.398 1.50 COLOUR#######S###ALA########## 0.398 1.000 0.398 1.85 COLOUR#######S###A ########## 0.398 1.000 0.398 1.85 COLOUR#######H###ALA########## 0.398 1.000 0.398 1.20 COLOUR#######H###A ########## 0.398 1.000 0.398 1.20 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COLOUR#######O#### ########## 1.000 0.0 1.000 1.50 COLOUR#######S################ 1.000 0.0 1.000 1.85 COLOUR#######S#### ########## 1.000 0.0 1.000 1.85 COLOUR#######H################ 1.000 0.0 1.000 1.20 COLOUR#######H#### ########## 1.000 0.0 1.000 1.20 COLOUR#######P################ 1.000 0.0 1.000 1.80 COLOUR#######P#### ########## 1.000 0.0 1.000 1.80 Raster3D_3.0-2/./materials/white.r3d0000664000471100047110000000013311327673235017042 0ustar merrittmerritt# White plastic 8 35. -1.0 1.0 1.0 1.0 0.0 0 0 0 1 SOLID 0.920 0.920 0.920 Raster3D_3.0-2/./materials/darkgreen.r3d0000664000471100047110000000014011327673235017662 0ustar merrittmerritt# dark green plastic 8 35. -1.0 1.0 1.0 1.0 0.0 0 0 0 1 SOLID 0.000 0.500 0.000 Raster3D_3.0-2/./materials/pearl.r3d0000664000471100047110000000012311327673235017024 0ustar merrittmerritt# pearl 8 7. 0.6 0.5 0.7 1.0 0.0 0 0 0 1 SOLID 0.800 0.800 0.700 Raster3D_3.0-2/./materials/transparent.r3d0000664000471100047110000000030511327673235020264 0ustar merrittmerritt# Material description for coloured transparent surface. # The -1.0 values mean that specular highlights will get the base color # of the object. 8 17. 0.6 -1.0 -1.0 -1.0 0.8 0 0 0 0 Raster3D_3.0-2/./materials/gold.r3d0000664000471100047110000000015211327673235016650 0ustar merrittmerritt# Gold (reddish base with yellow highlights) 8 5. 0.5 1.0 1.0 0.0 0.0 0 0 0 1 SOLID 0.7 0.3 0.1 Raster3D_3.0-2/./materials/end_material.r3d0000664000471100047110000000000211327673235020341 0ustar merrittmerritt9 Raster3D_3.0-2/./materials/mycolors.pdb0000664000471100047110000004665611327673235017672 0ustar merrittmerrittCOLOUR#######FE############### 0.500 0.000 0.250 2.40 COLOUR#######CA2############## 0.159 0.0 0.159 2.00 COLOUR#######CA2## ########## 0.159 0.0 0.159 2.00 COLOUR#######CA ############## 0.631 0.631 0.631 1.70 COLOUR#######CA ## ########## 0.631 0.631 0.631 1.70 COLOUR#######C' ############## 0.631 0.631 0.631 1.70 COLOUR#######C' ## ########## 0.631 0.631 0.631 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1.000 0.101 0.101 2.00 COLOUR#######C### C########## 1.000 0.398 0.063 1.70 COLOUR#######N### C########## 1.000 0.398 0.063 1.60 COLOUR#######O### C########## 1.000 0.398 0.063 1.50 COLOUR#######S### C########## 1.000 0.398 0.063 1.85 COLOUR#######H### C########## 1.000 0.398 0.063 1.20 COLOUR#######P### C########## 1.000 0.398 0.063 1.80 COLOUR########### C########## 1.000 0.398 0.063 2.00 COLOUR#######C### A########## 0.501 0.501 1.000 1.70 COLOUR#######N### A########## 0.501 0.501 1.000 1.60 COLOUR#######O### A########## 0.501 0.501 1.000 1.50 COLOUR#######S### A########## 0.501 0.501 1.000 1.85 COLOUR#######H### A########## 0.501 0.501 1.000 1.20 COLOUR#######P### A########## 0.501 0.501 1.000 1.80 COLOUR########### A########## 0.501 0.501 1.000 2.00 COLOUR#######C### T########## 0.501 1.000 0.501 1.70 COLOUR#######N### T########## 0.501 1.000 0.501 1.60 COLOUR#######O### T########## 0.501 1.000 0.501 1.50 COLOUR#######S### T########## 0.501 1.000 0.501 1.85 COLOUR#######H### T########## 0.501 1.000 0.501 1.20 COLOUR#######P### T########## 0.501 1.000 0.501 1.80 COLOUR#######C### +G########## 1.000 0.101 0.101 1.70 COLOUR#######N### +G########## 1.000 0.101 0.101 1.60 COLOUR#######O### +G########## 1.000 0.101 0.101 1.50 COLOUR#######S### +G########## 1.000 0.101 0.101 1.85 COLOUR#######H### +G########## 1.000 0.101 0.101 1.20 COLOUR#######P### +G########## 1.000 0.101 0.101 1.80 COLOUR########### +G########## 1.000 0.101 0.101 2.00 COLOUR#######C### +C########## 1.000 0.398 0.063 1.70 COLOUR#######N### +C########## 1.000 0.398 0.063 1.60 COLOUR#######O### +C########## 1.000 0.398 0.063 1.50 COLOUR#######S### +C########## 1.000 0.398 0.063 1.85 COLOUR#######H### +C########## 1.000 0.398 0.063 1.20 COLOUR#######P### +C########## 1.000 0.398 0.063 1.80 COLOUR########### +C########## 1.000 0.398 0.063 2.00 COLOUR#######C### +A########## 0.501 0.501 1.000 1.70 COLOUR#######N### +A########## 0.501 0.501 1.000 1.60 COLOUR#######O### +A########## 0.501 0.501 1.000 1.50 COLOUR#######S### +A########## 0.501 0.501 1.000 1.85 COLOUR#######H### +A########## 0.501 0.501 1.000 1.20 COLOUR#######P### +A########## 0.501 0.501 1.000 1.80 COLOUR########### +A########## 0.501 0.501 1.000 2.00 COLOUR#######C### +T########## 0.501 1.000 0.501 1.70 COLOUR#######N### +T########## 0.501 1.000 0.501 1.60 COLOUR#######O### +T########## 0.501 1.000 0.501 1.50 COLOUR#######S### +T########## 0.501 1.000 0.501 1.85 COLOUR#######H### +T########## 0.501 1.000 0.501 1.20 COLOUR#######P### +T########## 0.501 1.000 0.501 1.80 COLOUR########### +T########## 0.501 1.000 0.501 2.00 COLOUR#######H################ 1.000 0.0 1.000 1.20 COLOUR######################## 1.000 0.0 1.000 2.00 Raster3D_3.0-2/./materials/basement.r3d0000664000471100047110000000044311327673235017524 0ustar merrittmerritt# basement.r3d (same as floor.r3d except that y coords are lower) # # Plane running underneath the center of the scene, # in transformation-free coordinates so that it can be mixed with # most existing scene descriptions. # 15 6 -1.0 -0.1 -1.0 0.0 -4.0 3.0 1.0 -0.1 -1.0 0.0 0.1 1.0 9 Raster3D_3.0-2/./materials/darkred.r3d0000664000471100047110000000013411327673235017337 0ustar merrittmerritt# dark red plastic 8 35. -1.0 1.0 1.0 1.0 0.0 0 0 0 1 SOLID 0.297 0.000 0.000 Raster3D_3.0-2/./materials/fog.r3d0000664000471100047110000000021211327673235016473 0ustar merrittmerritt# Default values for FOG give simplest form of depth-cueing. # Current default is linear fadeout from front object to back object. 16 FOG Raster3D_3.0-2/./materials/red.r3d0000664000471100047110000000013011327673235016471 0ustar merrittmerritt# red plastic 8 35. -1.0 1.0 1.0 1.0 0.0 0 0 0 1 SOLID 0.900 0.000 0.000 Raster3D_3.0-2/./materials/grey.r3d0000664000471100047110000000013211327673235016667 0ustar merrittmerritt# grey plastic 8 35. -1.0 1.0 1.0 1.0 0.0 0 0 0 1 SOLID 0.500 0.600 0.600 Raster3D_3.0-2/./materials/orchid.r3d0000664000471100047110000000013211327673235017171 0ustar merrittmerritt# orchid plastic 8 35. -1.0 1.0 1.0 1.0 0.0 0 0 0 1 SOLID 0.731 0.193 0.704 Raster3D_3.0-2/./materials/pink.r3d0000664000471100047110000000013111327673235016661 0ustar merrittmerritt# pink plastic 8 35. -1.0 1.0 1.0 1.0 0.0 0 0 0 1 SOLID 1.000 0.567 0.634 Raster3D_3.0-2/./materials/green.r3d0000664000471100047110000000013311327673235017022 0ustar merrittmerritt# green plastic 8 35. -1.0 1.0 1.0 1.0 0.0 0 0 0 1 SOLID 0.000 0.800 0.100 Raster3D_3.0-2/./materials/lightorange.r3d0000664000471100047110000000014211327673235020225 0ustar merrittmerritt# light orange plastic 8 35. -1.0 1.0 1.0 1.0 0.0 0 0 0 1 SOLID 0.950 0.400 0.050 Raster3D_3.0-2/./materials/backdrop_2.r3d0000664000471100047110000000036511327673235017737 0ustar merrittmerritt9 19 1 -0.60 0.60 -0.75 0.60 0.60 -0.75 -0.60 -0.60 -0.75 0 0 0 17 0.4 0.67 0.77 0.4 0.67 0.77 0.0 0.2 0.0 1 -0.60 -0.60 -0.75 0.60 0.60 -0.751 0.60 -0.60 -0.75 0 0 0 17 0.0 0.2 0.0 0.4 0.67 0.77 0.0 0.2 0.00 9 Raster3D_3.0-2/./Makefile.incl0000664000471100047110000000000011522570711015674 0ustar merrittmerrittRaster3D_3.0-2/./modsubs.f0000664000471100047110000000455011327673235015161 0ustar merrittmerritt SUBROUTINE CROSS(B,C,A) C ======================= C C DIMENSION A(3),B(3),C(3) A(1)=B(2)*C(3)-C(2)*B(3) A(2)=B(3)*C(1)-C(3)*B(1) A(3)=B(1)*C(2)-C(1)*B(2) RETURN END C FUNCTION DOT(A,B) C ================ C C DOT PRODUCT OF TWO VECTORS C DIMENSION A(3),B(3) DOT=A(1)*B(1)+A(2)*B(2)+A(3)*B(3) RETURN END SUBROUTINE MATMUL(A,B,C) C ======================== C C MULTIPLY 2 3X3 MATRICES C C A=BC C REAL A(3,3),B(3,3),C(3,3) DO 1 I=1,3 DO 2 J=1,3 S=0 DO 3 K=1,3 3 S=S+B(I,K)*C(K,J) 2 A(I,J)=S 1 CONTINUE RETURN END SUBROUTINE MATVEC(V,A,B) C ======================== C C POST-MULTIPLY A 3X3 MATRIX BY A VECTOR C C V=AB C REAL A(3,3),B(3),V(3) DO 1 I=1,3 S=0 DO 2 J=1,3 2 S=S+A(I,J)*B(J) 1 V(I)=S RETURN END SUBROUTINE MINV(A,B,D) C ====================== C C INVERT A GENERAL 3X3 MATRIX AND RETURN DETERMINANT IN D C C A=(B)-1 C REAL A(3,3),B(3,3),C(3,3) CALL CROSS(B(1,2),B(1,3),C(1,1)) CALL CROSS(B(1,3),B(1,1),C(1,2)) CALL CROSS(B(1,1),B(1,2),C(1,3)) D=DOT(B(1,1),C(1,1)) C C TEST DETERMINANT C IF(ABS(D).GT.1.E-30)GO TO 10 D=0.0 RETURN C C DETERMINANT IS NON-ZERO C 10 DO 20 I=1,3 DO 20 J=1,3 20 A(I,J)=C(J,I)/D RETURN END C SUBROUTINE SCALEV(A,X,B) C ======================== C C SCALE A VECTOR B WITH SCALAR X AND PUT RESULT IN A C DIMENSION A(3),B(3) DO 10 I=1,3 A(I)=B(I)*X 10 CONTINUE RETURN END SUBROUTINE TRANSP(A,B) C ====================== C C TRANSPOSE A 3X3 MATRIX C C A=BT C REAL A(3,3),B(3,3) DO 1 I=1,3 DO 1 J=1,3 1 A(I,J)=B(J,I) RETURN END SUBROUTINE UNIT(V) C ================= C C REAL V(3) C****VECTOR V REDUCED TO UNIT VECTOR VMOD=V(1)**2+V(2)**2+V(3)**2 VMOD=SQRT(VMOD) DO 1 I=1,3 1 V(I)=V(I)/VMOD RETURN END SUBROUTINE VDIF(A,B,C) C ===================== C C C SUBTRACT TWO VECTORS C DIMENSION A(3),B(3),C(3) DO 10 I=1,3 A(I)=B(I)-C(I) 10 CONTINUE RETURN END SUBROUTINE VSET(A,B) C ==================== C C C MOVE A VECTOR FROM B TO A C DIMENSION A(3),B(3) DO 10 I=1,3 10 A(I)=B(I) RETURN END SUBROUTINE VSUM(A,B,C) C ====================== C C C ADD TWO VECTORS C DIMENSION A(3),B(3),C(3) DO 10 I=1,3 A(I)=B(I)+C(I) 10 CONTINUE RETURN END Raster3D_3.0-2/./Makefile.package0000664000471100047110000000237511522570035016362 0ustar merrittmerritt# # These commands for maintaining the distribution package # cause great difficulties with some versions of make. # Preparation for release of subversion N # make sure that VERSION contains "3.0-N" # copy raster3d-3.0.spec to raster3d-3.0-N.spec # copy raster3d-static-3.0.spec to raster3d-static-3.0-N.spec # make sure that the new spec files have the right version internally # ln -s `pwd` ../Raster3D_3.0-N # To actually build the tar file, you need to do something like # # make distclean; cp Makefile.package Makefile.incl; make tar # # After that (tar file is needed first!) to make the RPM files # # make linux; make rpm # # To build the static version or x86_64 variants # edit Makefile.package (this file) to use the right spec file # include VERSION TARFILE := $(shell echo Raster3D_$(VERSION).tar.gz) tar: ../$(TARFILE) ../$(TARFILE): rm Makefile.incl touch Makefile.incl @echo making ../$(TARFILE) cd `pwd` (cd ..; gtar -czvf $(TARFILE) Raster3D_$(VERSION)/.) # # Build an RPM package # rpm: ../$(TARFILE) rpm_build rpm_build: cp ../Raster3D_$(VERSION).tar.gz ~/rpmbuild/SOURCES/ rpmbuild -ba --target i586 raster3d-$(VERSION).spec # rpmbuild -ba --target x86_64 raster3d-$(VERSION).spec # rpmbuild -ba --target x86_64 raster3d-static-$(VERSION).spec Raster3D_3.0-2/./doc/0000775000471100047110000000000011522570626014074 5ustar merrittmerrittRaster3D_3.0-2/./doc/r3dtops.l0000664000471100047110000000042711502002030015623 0ustar merrittmerritt.ad l .nh .TH R3DTOPS 1 " 8 May 1999" "Raster3D" .SH NAME r3dtops - Raster3D to PostScript label conversion .SH SYNOPSIS This program is now obsolete. .PP Use render -labels instead. .SH SEE ALSO r3d_objects(l), render(l), raster3d(l) .PP .SH AUTHORS Ethan A Merritt. 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!"#$%&'()*+,-./0123456789:;<=>?@ABCDEFGHIJKLMNOPQRSTUVWXYZ[\]^_`abcdefghijklmnopqrstuvwxyz{|}~€‚ƒ„…†‡ˆ‰Š‹ŒŽ‘’“”•–—˜™š›œžŸ ¡¢£¤¥¦§¨©ª«¬­®¯°±²³´µ¶·¸¹º»¼½¾¿ÀÁÂÃÄÅÆÇÈÉÊËÌÍÎÏÐÑÒÓÔÕÖ×ØÙÚÛÜÝÞßàáâãäåæçèéêëìíîïðñòóôõö÷øùúûüýþÿ­ö endstream endobj 990 0 obj <>stream xœÿþ  !"#$%&'()*+,-./0123456789:;<=>?@ABCDEFGHIJKLMNOPQRSTUVWXYZ[\]^_`abcdefghijklmnopqrstuvwxyz{|}~€‚ƒ„…†‡ˆ‰Š‹ŒŽ‘’“”•–—˜™š›œžŸ ¡¢£¤¥¦§¨©ª«¬­®¯°±²³´µ¶·¸¹º»¼½¾¿ÀÁÂÃÄÅÆÇÈÉÊËÌÍÎÏÐÑÒÓÔÕÖ×ØÙÚÛÜÝÞßàáâãäåæçèéêëìíîïðñòóôõö÷øùúûüýþÿ­ö endstream endobj 989 0 obj <>stream xœÿþ  !"#$%&'()*+,-./0123456789:;<=>?@ABCDEFGHIJKLMNOPQRSTUVWXYZ[\]^_`abcdefghijklmnopqrstuvwxyz{|}~€‚ƒ„…†‡ˆ‰Š‹ŒŽ‘’“”•–—˜™š›œžŸ ¡¢£¤¥¦§¨©ª«¬­®¯°±²³´µ¶·¸¹º»¼½¾¿ÀÁÂÃÄÅÆÇÈÉÊËÌÍÎÏÐÑÒÓÔÕÖ×ØÙÚÛÜÝÞßàáâãäåæçèéêëìíîïðñòóôõö÷øùúûüýþÿ­ö endstream endobj 988 0 obj <>stream xœÿþ  !"#$%&'()*+,-./0123456789:;<=>?@ABCDEFGHIJKLMNOPQRSTUVWXYZ[\]^_`abcdefghijklmnopqrstuvwxyz{|}~€‚ƒ„…†‡ˆ‰Š‹ŒŽ‘’“”•–—˜™š›œžŸ ¡¢£¤¥¦§¨©ª«¬­®¯°±²³´µ¶·¸¹º»¼½¾¿ÀÁÂÃÄÅÆÇÈÉÊËÌÍÎÏÐÑÒÓÔÕÖ×ØÙÚÛÜÝÞßàáâãäåæçèéêëìíîïðñòóôõö÷øùúûüýþÿ­ö endstream endobj 987 0 obj <>stream xœÿþ  !"#$%&'()*+,-./0123456789:;<=>?@ABCDEFGHIJKLMNOPQRSTUVWXYZ[\]^_`abcdefghijklmnopqrstuvwxyz{|}~€‚ƒ„…†‡ˆ‰Š‹ŒŽ‘’“”•–—˜™š›œžŸ ¡¢£¤¥¦§¨©ª«¬­®¯°±²³´µ¶·¸¹º»¼½¾¿ÀÁÂÃÄÅÆÇÈÉÊËÌÍÎÏÐÑÒÓÔÕÖ×ØÙÚÛÜÝÞßàáâãäåæçèéêëìíîïðñòóôõö÷øùúûüýþÿ­ö endstream endobj 982 0 obj <>stream xœÿþ  !"#$%&'()*+,-./0123456789:;<=>?@ABCDEFGHIJKLMNOPQRSTUVWXYZ[\]^_`abcdefghijklmnopqrstuvwxyz{|}~€‚ƒ„…†‡ˆ‰Š‹ŒŽ‘’“”•–—˜™š›œžŸ ¡¢£¤¥¦§¨©ª«¬­®¯°±²³´µ¶·¸¹º»¼½¾¿ÀÁÂÃÄÅÆÇÈÉÊËÌÍÎÏÐÑÒÓÔÕÖ×ØÙÚÛÜÝÞßàáâãäåæçèéêëìíîïðñòóôõö÷øùúûüýþÿ­ö endstream endobj 981 0 obj <>stream xœÿþ  !"#$%&'()*+,-./0123456789:;<=>?@ABCDEFGHIJKLMNOPQRSTUVWXYZ[\]^_`abcdefghijklmnopqrstuvwxyz{|}~€‚ƒ„…†‡ˆ‰Š‹ŒŽ‘’“”•–—˜™š›œžŸ ¡¢£¤¥¦§¨©ª«¬­®¯°±²³´µ¶·¸¹º»¼½¾¿ÀÁÂÃÄÅÆÇÈÉÊËÌÍÎÏÐÑÒÓÔÕÖ×ØÙÚÛÜÝÞßàáâãäåæçèéêëìíîïðñòóôõö÷øùúûüýþÿ­ö endstream endobj 980 0 obj <>stream xœÿþ  !"#$%&'()*+,-./0123456789:;<=>?@ABCDEFGHIJKLMNOPQRSTUVWXYZ[\]^_`abcdefghijklmnopqrstuvwxyz{|}~€‚ƒ„…†‡ˆ‰Š‹ŒŽ‘’“”•–—˜™š›œžŸ ¡¢£¤¥¦§¨©ª«¬­®¯°±²³´µ¶·¸¹º»¼½¾¿ÀÁÂÃÄÅÆÇÈÉÊËÌÍÎÏÐÑÒÓÔÕÖ×ØÙÚÛÜÝÞßàáâãäåæçèéêëìíîïðñòóôõö÷øùúûüýþÿ­ö endstream endobj 979 0 obj <>stream xœÿþ  !"#$%&'()*+,-./0123456789:;<=>?@ABCDEFGHIJKLMNOPQRSTUVWXYZ[\]^_`abcdefghijklmnopqrstuvwxyz{|}~€‚ƒ„…†‡ˆ‰Š‹ŒŽ‘’“”•–—˜™š›œžŸ ¡¢£¤¥¦§¨©ª«¬­®¯°±²³´µ¶·¸¹º»¼½¾¿ÀÁÂÃÄÅÆÇÈÉÊËÌÍÎÏÐÑÒÓÔÕÖ×ØÙÚÛÜÝÞßàáâãäåæçèéêëìíîïðñòóôõö÷øùúûüýþÿ­ö endstream endobj 1005 0 obj <> endobj 1013 0 obj <> endobj 1002 0 obj <> endobj 1022 0 obj <> endobj 1023 0 obj <> endobj 1012 0 obj <>stream xœÿþ  !"#$%&'()*+,-./0123456789:;<=>?@ABCDEFGHIJKLMNOPQRSTUVWXYZ[\]^_`abcdefghijklmnopqrstuvwxyz{|}~€‚ƒ„…†‡ˆ‰Š‹ŒŽ‘’“”•–—˜™š›œžŸ ¡¢£¤¥¦§¨©ª«¬­®¯°±²³´µ¶·¸¹º»¼½¾¿ÀÁÂÃÄÅÆÇÈÉÊËÌÍÎÏÐÑÒÓÔÕÖ×ØÙÚÛÜÝÞßàáâãäåæçèéêëìíîïðñòóôõö÷øùúûüýþÿ­ö endstream endobj 1011 0 obj <>stream xœÿþ  !"#$%&'()*+,-./0123456789:;<=>?@ABCDEFGHIJKLMNOPQRSTUVWXYZ[\]^_`abcdefghijklmnopqrstuvwxyz{|}~€‚ƒ„…†‡ˆ‰Š‹ŒŽ‘’“”•–—˜™š›œžŸ ¡¢£¤¥¦§¨©ª«¬­®¯°±²³´µ¶·¸¹º»¼½¾¿ÀÁÂÃÄÅÆÇÈÉÊËÌÍÎÏÐÑÒÓÔÕÖ×ØÙÚÛÜÝÞßàáâãäåæçèéêëìíîïðñòóôõö÷øùúûüýþÿ­ö endstream endobj 1010 0 obj <>stream xœÿþ  !"#$%&'()*+,-./0123456789:;<=>?@ABCDEFGHIJKLMNOPQRSTUVWXYZ[\]^_`abcdefghijklmnopqrstuvwxyz{|}~€‚ƒ„…†‡ˆ‰Š‹ŒŽ‘’“”•–—˜™š›œžŸ ¡¢£¤¥¦§¨©ª«¬­®¯°±²³´µ¶·¸¹º»¼½¾¿ÀÁÂÃÄÅÆÇÈÉÊËÌÍÎÏÐÑÒÓÔÕÖ×ØÙÚÛÜÝÞßàáâãäåæçèéêëìíîïðñòóôõö÷øùúûüýþÿ­ö endstream endobj 1009 0 obj <>stream xœÿþ  !"#$%&'()*+,-./0123456789:;<=>?@ABCDEFGHIJKLMNOPQRSTUVWXYZ[\]^_`abcdefghijklmnopqrstuvwxyz{|}~€‚ƒ„…†‡ˆ‰Š‹ŒŽ‘’“”•–—˜™š›œžŸ ¡¢£¤¥¦§¨©ª«¬­®¯°±²³´µ¶·¸¹º»¼½¾¿ÀÁÂÃÄÅÆÇÈÉÊËÌÍÎÏÐÑÒÓÔÕÖ×ØÙÚÛÜÝÞßàáâãäåæçèéêëìíîïðñòóôõö÷øùúûüýþÿ­ö endstream endobj 1024 0 obj <> endobj 1032 0 obj <> endobj 1040 0 obj <> endobj 1045 0 obj <> endobj 1021 0 obj <> endobj 1055 0 obj << /Title(SYNOPSIS) /Dest [5 0 R /XYZ null 827 null] /Parent 1054 0 R /Next 1056 0 R >> endobj 1056 0 obj << /Title(EXAMPLES) /Dest [5 0 R /XYZ null 455 null] /Parent 1054 0 R /Prev 1055 0 R /Next 1057 0 R >> endobj 1057 0 obj << /Title(Make a simple ribbon figure of an Fe-containing me...) /Dest [5 0 R /XYZ null 389 null] /Parent 1054 0 R /Prev 1056 0 R /Next 1058 0 R >> endobj 1058 0 obj << /Title(Use Molscript to compose a figure for Raster3D ren...) /Dest [58 0 R /XYZ null 840 null] /Parent 1054 0 R /Prev 1057 0 R /Next 1059 0 R >> endobj 1059 0 obj << /Title(A shell script to combine a Molscript ribbon drawi...) /Dest [58 0 R /XYZ null 738 null] /Parent 1054 0 R /Prev 1058 0 R /Next 1060 0 R >> endobj 1060 0 obj << /Title(SUGGESTIONS FOR BETTER PICTURES) /Dest [58 0 R /XYZ null 508 null] /Parent 1054 0 R /Prev 1059 0 R /Next 1061 0 R >> endobj 1061 0 obj << /Title(NOTES ON TRANSPARENT SURFACES) /Dest [153 0 R /XYZ null 333 null] /Parent 1054 0 R /Prev 1060 0 R /Next 1062 0 R >> endobj 1062 0 obj << /Title(NOTES ON CLIPPING PLANES) /Dest [192 0 R /XYZ null 572 null] /Parent 1054 0 R /Prev 1061 0 R /Next 1063 0 R >> endobj 1063 0 obj << /Title(NOTES ON BOUNDING PLANES) /Dest [211 0 R /XYZ null 862 null] /Parent 1054 0 R /Prev 1062 0 R /Next 1064 0 R >> endobj 1064 0 obj << /Title(HISTORY) /Dest [211 0 R /XYZ null 412 null] /Parent 1054 0 R /Prev 1063 0 R /Next 1065 0 R >> endobj 1066 0 obj << /Title(contact:) /Dest [231 0 R /XYZ null 358 null] /Parent 1065 0 R >> endobj 1065 0 obj << /Title(Raster3D web site) /Dest [231 0 R /XYZ null 394 null] /Count -1 /Parent 1054 0 R /Prev 1064 0 R /Next 1067 0 R /First 1066 0 R /Last 1066 0 R >> endobj 1068 0 obj << /Title(Conscript) /Dest [250 0 R /XYZ null 502 null] /Parent 1067 0 R /Next 1069 0 R >> endobj 1069 0 obj << /Title(Molscript) /Dest [250 0 R /XYZ null 458 null] /Parent 1067 0 R /Prev 1068 0 R /Next 1070 0 R >> endobj 1070 0 obj << /Title(ORTEX) /Dest [250 0 R /XYZ null 426 null] /Parent 1067 0 R /Prev 1069 0 R /Next 1071 0 R >> endobj 1071 0 obj << /Title(Xfit/XtalView) /Dest [250 0 R /XYZ null 382 null] /Parent 1067 0 R /Prev 1070 0 R /Next 1072 0 R >> endobj 1072 0 obj << /Title(VMD) /Dest [250 0 R /XYZ null 338 null] /Parent 1067 0 R /Prev 1071 0 R >> endobj 1067 0 obj << /Title(RELATED PROGRAMS AND GRAPHICS LIBRARIES) /Dest [250 0 R /XYZ null 862 null] /Count -5 /Parent 1054 0 R /Prev 1065 0 R /Next 1073 0 R /First 1068 0 R /Last 1072 0 R >> endobj 1073 0 obj << /Title(Raster3D AUTHORS) /Dest [250 0 R /XYZ null 288 null] /Parent 1054 0 R /Prev 1067 0 R /Next 1074 0 R >> endobj 1074 0 obj << /Title(CITING THE PROGRAMS) /Dest [269 0 R /XYZ null 862 null] /Parent 1054 0 R /Prev 1073 0 R /Next 1075 0 R >> endobj 1075 0 obj << /Title(REFERENCES) /Dest [269 0 R /XYZ null 808 null] /Parent 1054 0 R /Prev 1074 0 R >> endobj 1054 0 obj << /Title(Raster3D) /Dest [5 0 R /XYZ null 862 null] /Count -15 /Parent 1053 0 R /Next 1076 0 R /First 1055 0 R /Last 1075 0 R >> endobj 1077 0 obj << /Title(SYNOPSIS) /Dest [289 0 R /XYZ null 827 null] /Parent 1076 0 R /Next 1078 0 R >> endobj 1078 0 obj << /Title(EXAMPLES) /Dest [289 0 R /XYZ null 679 null] /Parent 1076 0 R /Prev 1077 0 R /Next 1079 0 R >> endobj 1080 0 obj << /Title(-b) /Dest [289 0 R /XYZ null 581 null] /Parent 1079 0 R /Next 1081 0 R >> endobj 1081 0 obj << /Title(-dpi xxx) /Dest [289 0 R /XYZ null 537 null] /Parent 1079 0 R /Prev 1080 0 R >> endobj 1079 0 obj << /Title(OPTIONS) /Dest [289 0 R /XYZ null 599 null] /Count -2 /Parent 1076 0 R /Prev 1078 0 R /Next 1082 0 R /First 1080 0 R /Last 1081 0 R >> endobj 1082 0 obj << /Title(AUTHORS) /Dest [289 0 R /XYZ null 451 null] /Parent 1076 0 R /Prev 1079 0 R >> endobj 1076 0 obj << /Title(AVS2PS) /Dest [289 0 R /XYZ null 862 null] /Count -4 /Parent 1053 0 R /Prev 1054 0 R /Next 1083 0 R /First 1077 0 R /Last 1082 0 R >> endobj 1084 0 obj << /Title(SYNOPSIS) /Dest [334 0 R /XYZ null 827 null] /Parent 1083 0 R /Next 1085 0 R >> endobj 1085 0 obj << /Title(EXAMPLES) /Dest [334 0 R /XYZ null 721 null] /Parent 1083 0 R /Prev 1084 0 R /Next 1086 0 R >> endobj 1087 0 obj << /Title(-h) /Dest [334 0 R /XYZ null 575 null] /Parent 1086 0 R >> endobj 1086 0 obj << /Title(OPTIONS) /Dest [334 0 R /XYZ null 593 null] /Count -1 /Parent 1083 0 R /Prev 1085 0 R /Next 1088 0 R /First 1087 0 R /Last 1087 0 R >> endobj 1088 0 obj << /Title(DESCRIPTION) /Dest [334 0 R /XYZ null 489 null] /Parent 1083 0 R /Prev 1086 0 R /Next 1089 0 R >> endobj 1089 0 obj << /Title(ENVIRONMENT) /Dest [364 0 R /XYZ null 640 null] /Parent 1083 0 R /Prev 1088 0 R /Next 1090 0 R >> endobj 1090 0 obj << /Title(AUTHORS) /Dest [364 0 R /XYZ null 598 null] /Parent 1083 0 R /Prev 1089 0 R >> endobj 1083 0 obj << /Title(BALLS) /Dest [334 0 R /XYZ null 862 null] /Count -6 /Parent 1053 0 R /Prev 1076 0 R /Next 1091 0 R /First 1084 0 R /Last 1090 0 R >> endobj 1092 0 obj << /Title(SYNOPSIS) /Dest [382 0 R /XYZ null 827 null] /Parent 1091 0 R /Next 1093 0 R >> endobj 1093 0 obj << /Title(DESCRIPTION) /Dest [382 0 R /XYZ null 687 null] /Parent 1091 0 R /Prev 1092 0 R /Next 1094 0 R >> endobj 1094 0 obj << /Title(ENVIRONMENT) /Dest [382 0 R /XYZ null 567 null] /Parent 1091 0 R /Prev 1093 0 R /Next 1095 0 R >> endobj 1095 0 obj << /Title(BUGS) /Dest [382 0 R /XYZ null 477 null] /Parent 1091 0 R /Prev 1094 0 R /Next 1096 0 R >> endobj 1096 0 obj << /Title(AUTHOR) /Dest [382 0 R /XYZ null 345 null] /Parent 1091 0 R /Prev 1095 0 R >> endobj 1091 0 obj << /Title(LABEL3D) /Dest [382 0 R /XYZ null 862 null] /Count -5 /Parent 1053 0 R /Prev 1083 0 R /Next 1097 0 R /First 1092 0 R /Last 1096 0 R >> endobj 1098 0 obj << /Title(SYNOPSIS) /Dest [428 0 R /XYZ null 827 null] /Parent 1097 0 R /Next 1099 0 R >> endobj 1099 0 obj << /Title(EXAMPLES) /Dest [428 0 R /XYZ null 601 null] /Parent 1097 0 R /Prev 1098 0 R /Next 1100 0 R >> endobj 1101 0 obj << /Title(-ang AA) /Dest [428 0 R /XYZ null 313 null] /Parent 1100 0 R /Next 1102 0 R >> endobj 1102 0 obj << /Title(-h) /Dest [458 0 R /XYZ null 862 null] /Parent 1100 0 R /Prev 1101 0 R /Next 1103 0 R >> endobj 1103 0 obj << /Title(-expand) /Dest [458 0 R /XYZ null 818 null] /Parent 1100 0 R /Prev 1102 0 R /Next 1104 0 R >> endobj 1104 0 obj << /Title(-size HHHxVVV) /Dest [458 0 R /XYZ null 786 null] /Parent 1100 0 R /Prev 1103 0 R /Next 1105 0 R >> endobj 1105 0 obj << /Title(-stereo [SCR]) /Dest [458 0 R /XYZ null 742 null] /Parent 1100 0 R /Prev 1104 0 R >> endobj 1100 0 obj << /Title(OPTIONS) /Dest [428 0 R /XYZ null 331 null] /Count -5 /Parent 1097 0 R /Prev 1099 0 R /Next 1106 0 R /First 1101 0 R /Last 1105 0 R >> endobj 1106 0 obj << /Title(AUTHORS) /Dest [458 0 R /XYZ null 642 null] /Parent 1097 0 R /Prev 1100 0 R >> endobj 1097 0 obj << /Title(NORMAL3D) /Dest [428 0 R /XYZ null 862 null] /Count -4 /Parent 1053 0 R /Prev 1091 0 R /Next 1107 0 R /First 1098 0 R /Last 1106 0 R >> endobj 1108 0 obj << /Title(SYNOPSIS) /Dest [477 0 R /XYZ null 827 null] /Parent 1107 0 R /Next 1109 0 R >> endobj 1110 0 obj << /Title(-fontscale xx) /Dest [477 0 R /XYZ null 731 null] /Parent 1109 0 R /Next 1111 0 R >> endobj 1111 0 obj << /Title(-labels [filename]) /Dest [477 0 R /XYZ null 627 null] /Parent 1109 0 R /Prev 1110 0 R >> endobj 1109 0 obj << /Title(OPTIONS \(to the render program\)) /Dest [477 0 R /XYZ null 749 null] /Count -2 /Parent 1107 0 R /Prev 1108 0 R /Next 1112 0 R /First 1110 0 R /Last 1111 0 R >> endobj 1113 0 obj << /Title(Object type 10) /Dest [477 0 R /XYZ null 547 null] /Parent 1112 0 R /Next 1114 0 R >> endobj 1114 0 obj << /Title(Object type 11) /Dest [477 0 R /XYZ null 447 null] /Parent 1112 0 R /Prev 1113 0 R /Next 1115 0 R >> endobj 1115 0 obj << /Title(Object type 12) /Dest [477 0 R /XYZ null 401 null] /Parent 1112 0 R /Prev 1114 0 R >> endobj 1112 0 obj << /Title(OBJECT DESCRIPTORS RECOGNIZED) /Dest [477 0 R /XYZ null 565 null] /Count -3 /Parent 1107 0 R /Prev 1109 0 R /Next 1116 0 R /First 1113 0 R /Last 1115 0 R >> endobj 1116 0 obj << /Title(SPECIAL CHARACTERS) /Dest [477 0 R /XYZ null 363 null] /Parent 1107 0 R /Prev 1112 0 R /Next 1117 0 R >> endobj 1117 0 obj << /Title(TEX-LIKE SYNTAX) /Dest [506 0 R /XYZ null 862 null] /Parent 1107 0 R /Prev 1116 0 R /Next 1118 0 R >> endobj 1118 0 obj << /Title(EXAMPLES) /Dest [506 0 R /XYZ null 784 null] /Parent 1107 0 R /Prev 1117 0 R /Next 1119 0 R >> endobj 1119 0 obj << /Title(BUGS) /Dest [506 0 R /XYZ null 355 null] /Parent 1107 0 R /Prev 1118 0 R /Next 1120 0 R >> endobj 1120 0 obj << /Title(AUTHOR) /Dest [506 0 R /XYZ null 271 null] /Parent 1107 0 R /Prev 1119 0 R >> endobj 1107 0 obj << /Title(R3DTOPS \(Raster3D to PostScript label conversion\)) /Dest [477 0 R /XYZ null 862 null] /Count -8 /Parent 1053 0 R /Prev 1097 0 R /Next 1121 0 R /First 1108 0 R /Last 1120 0 R >> endobj 1122 0 obj << /Title(SYNOPSIS) /Dest [539 0 R /XYZ null 827 null] /Parent 1121 0 R /Next 1123 0 R >> endobj 1123 0 obj << /Title(EXAMPLES) /Dest [539 0 R /XYZ null 639 null] /Parent 1121 0 R /Prev 1122 0 R /Next 1124 0 R >> endobj 1125 0 obj << /Title(-auto) /Dest [569 0 R /XYZ null 822 null] /Parent 1124 0 R /Next 1126 0 R >> endobj 1126 0 obj << /Title(-Bcolor Bmin Bmax) /Dest [569 0 R /XYZ null 790 null] /Parent 1124 0 R /Prev 1125 0 R /Next 1127 0 R >> endobj 1127 0 obj << /Title(-fancy[0-6]) /Dest [569 0 R /XYZ null 722 null] /Parent 1124 0 R /Prev 1126 0 R /Next 1128 0 R >> endobj 1128 0 obj << /Title(-h) /Dest [569 0 R /XYZ null 445 null] /Parent 1124 0 R /Prev 1127 0 R /Next 1129 0 R >> endobj 1129 0 obj << /Title(-iso) /Dest [569 0 R /XYZ null 377 null] /Parent 1124 0 R /Prev 1128 0 R /Next 1130 0 R >> endobj 1130 0 obj << /Title(-mini) /Dest [569 0 R /XYZ null 309 null] /Parent 1124 0 R /Prev 1129 0 R /Next 1131 0 R >> endobj 1131 0 obj << /Title(-nohydrogens) /Dest [569 0 R /XYZ null 277 null] /Parent 1124 0 R /Prev 1130 0 R /Next 1132 0 R >> endobj 1132 0 obj << /Title(-prob Plevel) /Dest [599 0 R /XYZ null 862 null] /Parent 1124 0 R /Prev 1131 0 R /Next 1133 0 R >> endobj 1133 0 obj << /Title(-radius R) /Dest [599 0 R /XYZ null 794 null] /Parent 1124 0 R /Prev 1132 0 R >> endobj 1124 0 obj << /Title(OPTIONS) /Dest [569 0 R /XYZ null 840 null] /Count -9 /Parent 1121 0 R /Prev 1123 0 R /Next 1134 0 R /First 1125 0 R /Last 1133 0 R >> endobj 1135 0 obj << /Title(-tabulate [tabfile]) /Dest [599 0 R /XYZ null 700 null] /Parent 1134 0 R /Next 1136 0 R >> endobj 1136 0 obj << /Title(-by_atomtype) /Dest [599 0 R /XYZ null 632 null] /Parent 1134 0 R /Prev 1135 0 R /Next 1137 0 R >> endobj 1137 0 obj << /Title(-com [comtabfile]) /Dest [599 0 R /XYZ null 588 null] /Parent 1134 0 R /Prev 1136 0 R >> endobj 1134 0 obj << /Title(OPTIONS FOR STATISTICAL ANALYSIS) /Dest [599 0 R /XYZ null 718 null] /Count -3 /Parent 1121 0 R /Prev 1124 0 R /Next 1138 0 R /First 1135 0 R /Last 1137 0 R >> endobj 1138 0 obj << /Title(NOTES) /Dest [599 0 R /XYZ null 524 null] /Parent 1121 0 R /Prev 1134 0 R /Next 1139 0 R >> endobj 1139 0 obj << /Title(AUTHOR) /Dest [599 0 R /XYZ null 328 null] /Parent 1121 0 R /Prev 1138 0 R >> endobj 1121 0 obj << /Title(RASTEP \(Raster3D Thermal Ellipsoid Program\)) /Dest [539 0 R /XYZ null 862 null] /Count -6 /Parent 1053 0 R /Prev 1107 0 R /Next 1140 0 R /First 1122 0 R /Last 1139 0 R >> endobj 1141 0 obj << /Title(SYNOPSIS) /Dest [637 0 R /XYZ null 827 null] /Parent 1140 0 R /Next 1142 0 R >> endobj 1142 0 obj << /Title(EXAMPLES) /Dest [637 0 R /XYZ null 521 null] /Parent 1140 0 R /Prev 1141 0 R /Next 1143 0 R >> endobj 1144 0 obj << /Title(-aa) /Dest [637 0 R /XYZ null 261 null] /Parent 1143 0 R /Next 1145 0 R >> endobj 1145 0 obj << /Title(-avs) /Dest [668 0 R /XYZ null 862 null] /Parent 1143 0 R /Prev 1144 0 R /Next 1146 0 R >> endobj 1146 0 obj << /Title(-alpha) /Dest [668 0 R /XYZ null 818 null] /Parent 1143 0 R /Prev 1145 0 R /Next 1147 0 R >> endobj 1147 0 obj << /Title(-bg white|black|#RRGGBB) /Dest [668 0 R /XYZ null 750 null] /Parent 1143 0 R /Prev 1146 0 R /Next 1148 0 R >> endobj 1148 0 obj << /Title(-draft) /Dest [668 0 R /XYZ null 706 null] /Parent 1143 0 R /Prev 1147 0 R /Next 1149 0 R >> endobj 1149 0 obj << /Title(-fontscale XX) /Dest [668 0 R /XYZ null 674 null] /Parent 1143 0 R /Prev 1148 0 R /Next 1150 0 R >> endobj 1150 0 obj << /Title(-gamma GG) /Dest [668 0 R /XYZ null 606 null] /Parent 1143 0 R /Prev 1149 0 R /Next 1151 0 R >> endobj 1151 0 obj << /Title(-help) /Dest [668 0 R /XYZ null 562 null] /Parent 1143 0 R /Prev 1150 0 R /Next 1152 0 R >> endobj 1152 0 obj << /Title(-invert) /Dest [668 0 R /XYZ null 530 null] /Parent 1143 0 R /Prev 1151 0 R /Next 1153 0 R >> endobj 1153 0 obj << /Title(-jpeg [outfile.jpeg]) /Dest [668 0 R /XYZ null 498 null] /Parent 1143 0 R /Prev 1152 0 R /Next 1154 0 R >> endobj 1154 0 obj << /Title(-labels [outfile.ps]) /Dest [668 0 R /XYZ null 430 null] /Parent 1143 0 R /Prev 1153 0 R /Next 1155 0 R >> endobj 1155 0 obj << /Title(-out filename.xxx) /Dest [668 0 R /XYZ null 374 null] /Parent 1143 0 R /Prev 1154 0 R /Next 1156 0 R >> endobj 1156 0 obj << /Title(-png [outfile.png]) /Dest [668 0 R /XYZ null 318 null] /Parent 1143 0 R /Prev 1155 0 R /Next 1157 0 R >> endobj 1157 0 obj << /Title(-quality NN) /Dest [686 0 R /XYZ null 862 null] /Parent 1143 0 R /Prev 1156 0 R /Next 1158 0 R >> endobj 1158 0 obj << /Title(-shadow / -noshadow) /Dest [686 0 R /XYZ null 806 null] /Parent 1143 0 R /Prev 1157 0 R /Next 1159 0 R >> endobj 1159 0 obj << /Title(-size HHHxVVV) /Dest [686 0 R /XYZ null 774 null] /Parent 1143 0 R /Prev 1158 0 R /Next 1160 0 R >> endobj 1160 0 obj << /Title(-sgi [filename.rgb]) /Dest [686 0 R /XYZ null 730 null] /Parent 1143 0 R /Prev 1159 0 R /Next 1161 0 R >> endobj 1161 0 obj << /Title(-tiff [filename.tiff]) /Dest [686 0 R /XYZ null 674 null] /Parent 1143 0 R /Prev 1160 0 R /Next 1162 0 R >> endobj 1162 0 obj << /Title(-transparent) /Dest [686 0 R /XYZ null 630 null] /Parent 1143 0 R /Prev 1161 0 R /Next 1163 0 R >> endobj 1163 0 obj << /Title(-zoom ZZ[%]) /Dest [686 0 R /XYZ null 598 null] /Parent 1143 0 R /Prev 1162 0 R >> endobj 1143 0 obj << /Title(OPTIONS) /Dest [637 0 R /XYZ null 279 null] /Count -20 /Parent 1140 0 R /Prev 1142 0 R /Next 1164 0 R /First 1144 0 R /Last 1163 0 R >> endobj 1165 0 obj << /Title(TITLE) /Dest [686 0 R /XYZ null 440 null] /Parent 1164 0 R /Next 1166 0 R >> endobj 1166 0 obj << /Title(NTX,NTY) /Dest [686 0 R /XYZ null 408 null] /Parent 1164 0 R /Prev 1165 0 R /Next 1167 0 R >> endobj 1167 0 obj << /Title(NPX,NPY) /Dest [686 0 R /XYZ null 340 null] /Parent 1164 0 R /Prev 1166 0 R /Next 1168 0 R >> endobj 1168 0 obj << /Title(SCHEME) /Dest [705 0 R /XYZ null 862 null] /Parent 1164 0 R /Prev 1167 0 R /Next 1169 0 R >> endobj 1169 0 obj << /Title(BKGND) /Dest [705 0 R /XYZ null 660 null] /Parent 1164 0 R /Prev 1168 0 R /Next 1170 0 R >> endobj 1170 0 obj << /Title(SHADOW) /Dest [705 0 R /XYZ null 628 null] /Parent 1164 0 R /Prev 1169 0 R /Next 1171 0 R >> endobj 1171 0 obj << /Title(IPHONG) /Dest [705 0 R /XYZ null 596 null] /Parent 1164 0 R /Prev 1170 0 R /Next 1172 0 R >> endobj 1172 0 obj << /Title(STRAIT) /Dest [705 0 R /XYZ null 550 null] /Parent 1164 0 R /Prev 1171 0 R /Next 1173 0 R >> endobj 1173 0 obj << /Title(AMBIEN) /Dest [705 0 R /XYZ null 506 null] /Parent 1164 0 R /Prev 1172 0 R /Next 1174 0 R >> endobj 1174 0 obj << /Title(SPECLR) /Dest [705 0 R /XYZ null 462 null] /Parent 1164 0 R /Prev 1173 0 R /Next 1175 0 R >> endobj 1175 0 obj << /Title(EYEPOS) /Dest [705 0 R /XYZ null 392 null] /Parent 1164 0 R /Prev 1174 0 R /Next 1176 0 R >> endobj 1176 0 obj << /Title(SOURCE) /Dest [705 0 R /XYZ null 324 null] /Parent 1164 0 R /Prev 1175 0 R /Next 1177 0 R >> endobj 1177 0 obj << /Title(TMAT) /Dest [705 0 R /XYZ null 268 null] /Parent 1164 0 R /Prev 1176 0 R /Next 1178 0 R >> endobj 1178 0 obj << /Title(INMODE) /Dest [723 0 R /XYZ null 784 null] /Parent 1164 0 R /Prev 1177 0 R /Next 1179 0 R >> endobj 1179 0 obj << /Title(INFMT or INFMTS) /Dest [723 0 R /XYZ null 728 null] /Parent 1164 0 R /Prev 1178 0 R >> endobj 1164 0 obj << /Title(HEADER RECORDS) /Dest [686 0 R /XYZ null 500 null] /Count -15 /Parent 1140 0 R /Prev 1143 0 R /Next 1180 0 R /First 1165 0 R /Last 1179 0 R >> endobj 1180 0 obj << /Title(SAMPLE HEADERS) /Dest [723 0 R /XYZ null 642 null] /Parent 1140 0 R /Prev 1164 0 R /Next 1181 0 R >> endobj 1182 0 obj << /Title(Object type 1 triangle) /Dest [744 0 R /XYZ null 776 null] /Parent 1181 0 R /Next 1183 0 R >> endobj 1183 0 obj << /Title(Object type 2 sphere) /Dest [744 0 R /XYZ null 734 null] /Parent 1181 0 R /Prev 1182 0 R /Next 1184 0 R >> endobj 1184 0 obj << /Title(Object type 3 round-ended cylinder) /Dest [744 0 R /XYZ null 692 null] /Parent 1181 0 R /Prev 1183 0 R /Next 1185 0 R >> endobj 1185 0 obj << /Title(Object type 4 not used) /Dest [744 0 R /XYZ null 636 null] /Parent 1181 0 R /Prev 1184 0 R /Next 1186 0 R >> endobj 1186 0 obj << /Title(Object type 5 flat-ended cylinder) /Dest [744 0 R /XYZ null 612 null] /Parent 1181 0 R /Prev 1185 0 R /Next 1187 0 R >> endobj 1187 0 obj << /Title(Object type 6 plane) /Dest [744 0 R /XYZ null 556 null] /Parent 1181 0 R /Prev 1186 0 R /Next 1188 0 R >> endobj 1188 0 obj << /Title(Object type 7 explicit surface normals at vertices...) /Dest [744 0 R /XYZ null 514 null] /Parent 1181 0 R /Prev 1187 0 R /Next 1189 0 R >> endobj 1189 0 obj << /Title(Object type 8 material properties) /Dest [744 0 R /XYZ null 434 null] /Parent 1181 0 R /Prev 1188 0 R /Next 1190 0 R >> endobj 1190 0 obj << /Title(Object type 9 terminate special properties) /Dest [762 0 R /XYZ null 422 null] /Parent 1181 0 R /Prev 1189 0 R /Next 1191 0 R >> endobj 1191 0 obj << /Title(Label descriptors \(object types 10-12\)) /Dest [762 0 R /XYZ null 368 null] /Parent 1181 0 R /Prev 1190 0 R /Next 1192 0 R >> endobj 1192 0 obj << /Title(Object type 10) /Dest [782 0 R /XYZ null 732 null] /Parent 1181 0 R /Prev 1191 0 R /Next 1193 0 R >> endobj 1193 0 obj << /Title(Object type 11) /Dest [782 0 R /XYZ null 626 null] /Parent 1181 0 R /Prev 1192 0 R /Next 1194 0 R >> endobj 1194 0 obj << /Title(Object type 12) /Dest [782 0 R /XYZ null 570 null] /Parent 1181 0 R /Prev 1193 0 R /Next 1195 0 R >> endobj 1195 0 obj << /Title(Object type 13 Glow light source.) /Dest [782 0 R /XYZ null 528 null] /Parent 1181 0 R /Prev 1194 0 R /Next 1196 0 R >> endobj 1196 0 obj << /Title(Object type 14 Quadric surface) /Dest [782 0 R /XYZ null 364 null] /Parent 1181 0 R /Prev 1195 0 R /Next 1197 0 R >> endobj 1197 0 obj << /Title(Object type 15 begin isolation from TMAT transform...) /Dest [802 0 R /XYZ null 814 null] /Parent 1181 0 R /Prev 1196 0 R /Next 1198 0 R >> endobj 1198 0 obj << /Title(Object type 16 Global properties) /Dest [802 0 R /XYZ null 517 null] /Parent 1181 0 R /Prev 1197 0 R /Next 1199 0 R >> endobj 1199 0 obj << /Title(Object type 17 explicit coloring for vertices of p...) /Dest [825 0 R /XYZ null 672 null] /Parent 1181 0 R /Prev 1198 0 R /Next 1200 0 R >> endobj 1200 0 obj << /Title(Object type 18 explicit transparency at vertices o...) /Dest [825 0 R /XYZ null 530 null] /Parent 1181 0 R /Prev 1199 0 R /Next 1201 0 R >> endobj 1201 0 obj << /Title(Object type 19 begin isolation from TMAT transform...) /Dest [825 0 R /XYZ null 438 null] /Parent 1181 0 R /Prev 1200 0 R /Next 1202 0 R >> endobj 1202 0 obj << /Title(Object type 0 force end of input stream \(optional\)...) /Dest [825 0 R /XYZ null 396 null] /Parent 1181 0 R /Prev 1201 0 R /Next 1203 0 R >> endobj 1203 0 obj << /Title(Comments) /Dest [825 0 R /XYZ null 354 null] /Parent 1181 0 R /Prev 1202 0 R >> endobj 1181 0 obj << /Title(OBJECT TYPES) /Dest [744 0 R /XYZ null 800 null] /Count -22 /Parent 1140 0 R /Prev 1180 0 R /Next 1204 0 R /First 1182 0 R /Last 1203 0 R >> endobj 1204 0 obj << /Title(FILE INDIRECTION) /Dest [825 0 R /XYZ null 276 null] /Parent 1140 0 R /Prev 1181 0 R /Next 1205 0 R >> endobj 1205 0 obj << /Title(SAMPLE INPUT DATA FOLLOWING HEADER) /Dest [843 0 R /XYZ null 686 null] /Parent 1140 0 R /Prev 1204 0 R /Next 1206 0 R >> endobj 1207 0 obj << /Title(Tiling failure) /Dest [843 0 R /XYZ null 534 null] /Parent 1206 0 R /Next 1208 0 R >> endobj 1208 0 obj << /Title(Transparency processing truncated at MAXTRANSP=xxx...) /Dest [843 0 R /XYZ null 454 null] /Parent 1206 0 R /Prev 1207 0 R /Next 1209 0 R >> endobj 1209 0 obj << /Title(Possible shadowing error NSXMAX = xxx) /Dest [843 0 R /XYZ null 374 null] /Parent 1206 0 R /Prev 1208 0 R >> endobj 1206 0 obj << /Title(ERROR MESSAGES) /Dest [843 0 R /XYZ null 552 null] /Count -3 /Parent 1140 0 R /Prev 1205 0 R /Next 1210 0 R /First 1207 0 R /Last 1209 0 R >> endobj 1210 0 obj << /Title(INCREASING THE ARRAY SIZES IN RENDER) /Dest [843 0 R /XYZ null 300 null] /Parent 1140 0 R /Prev 1206 0 R /Next 1211 0 R >> endobj 1211 0 obj << /Title(AUTHORS) /Dest [863 0 R /XYZ null 676 null] /Parent 1140 0 R /Prev 1210 0 R >> endobj 1140 0 obj << /Title(RENDER) /Dest [637 0 R /XYZ null 862 null] /Count -11 /Parent 1053 0 R /Prev 1121 0 R /Next 1212 0 R /First 1141 0 R /Last 1211 0 R >> endobj 1213 0 obj << /Title(SYNOPSIS) /Dest [883 0 R /XYZ null 827 null] /Parent 1212 0 R /Next 1214 0 R >> endobj 1214 0 obj << /Title(EXAMPLES) /Dest [883 0 R /XYZ null 717 null] /Parent 1212 0 R /Prev 1213 0 R /Next 1215 0 R >> endobj 1216 0 obj << /Title(-h) /Dest [883 0 R /XYZ null 607 null] /Parent 1215 0 R /Next 1217 0 R >> endobj 1217 0 obj << /Title(-d[0123456]) /Dest [883 0 R /XYZ null 527 null] /Parent 1215 0 R /Prev 1216 0 R >> endobj 1215 0 obj << /Title(OPTIONS) /Dest [883 0 R /XYZ null 625 null] /Count -2 /Parent 1212 0 R /Prev 1214 0 R /Next 1218 0 R /First 1216 0 R /Last 1217 0 R >> endobj 1218 0 obj << /Title(DESCRIPTION) /Dest [883 0 R /XYZ null 339 null] /Parent 1212 0 R /Prev 1215 0 R /Next 1219 0 R >> endobj 1219 0 obj << /Title(ENVIRONMENT) /Dest [913 0 R /XYZ null 826 null] /Parent 1212 0 R /Prev 1218 0 R /Next 1220 0 R >> endobj 1220 0 obj << /Title(AUTHORS) /Dest [913 0 R /XYZ null 784 null] /Parent 1212 0 R /Prev 1219 0 R >> endobj 1212 0 obj << /Title(RIBBON) /Dest [883 0 R /XYZ null 862 null] /Count -6 /Parent 1053 0 R /Prev 1140 0 R /Next 1221 0 R /First 1213 0 R /Last 1220 0 R >> endobj 1222 0 obj << /Title(EXAMPLES) /Dest [931 0 R /XYZ null 737 null] /Parent 1221 0 R /Next 1223 0 R >> endobj 1224 0 obj << /Title(-bases) /Dest [931 0 R /XYZ null 647 null] /Parent 1223 0 R /Next 1225 0 R >> endobj 1225 0 obj << /Title(-protein) /Dest [931 0 R /XYZ null 615 null] /Parent 1223 0 R /Prev 1224 0 R /Next 1226 0 R >> endobj 1226 0 obj << /Title(-sugars) /Dest [931 0 R /XYZ null 583 null] /Parent 1223 0 R /Prev 1225 0 R >> endobj 1223 0 obj << /Title(OPTIONS) /Dest [931 0 R /XYZ null 665 null] /Count -3 /Parent 1221 0 R /Prev 1222 0 R /Next 1227 0 R /First 1224 0 R /Last 1226 0 R >> endobj 1227 0 obj << /Title(BUGS) /Dest [931 0 R /XYZ null 545 null] /Parent 1221 0 R /Prev 1223 0 R /Next 1228 0 R >> endobj 1228 0 obj << /Title(AUTHORS) /Dest [931 0 R /XYZ null 449 null] /Parent 1221 0 R /Prev 1227 0 R >> endobj 1221 0 obj << /Title(RINGS3D) /Dest [931 0 R /XYZ null 862 null] /Count -4 /Parent 1053 0 R /Prev 1212 0 R /Next 1229 0 R /First 1222 0 R /Last 1228 0 R >> endobj 1230 0 obj << /Title(EXAMPLES) /Dest [976 0 R /XYZ null 737 null] /Parent 1229 0 R /Next 1231 0 R >> endobj 1232 0 obj << /Title(-h) /Dest [976 0 R /XYZ null 639 null] /Parent 1231 0 R /Next 1233 0 R >> endobj 1233 0 obj << /Title(-b) /Dest [976 0 R /XYZ null 559 null] /Parent 1231 0 R /Prev 1232 0 R /Next 1234 0 R >> endobj 1234 0 obj << /Title(-radius R) /Dest [976 0 R /XYZ null 515 null] /Parent 1231 0 R /Prev 1233 0 R /Next 1235 0 R >> endobj 1235 0 obj << /Title(-Bcolor Bmin Bmax) /Dest [976 0 R /XYZ null 471 null] /Parent 1231 0 R /Prev 1234 0 R >> endobj 1231 0 obj << /Title(OPTIONS) /Dest [976 0 R /XYZ null 657 null] /Count -4 /Parent 1229 0 R /Prev 1230 0 R /Next 1236 0 R /First 1232 0 R /Last 1235 0 R >> endobj 1236 0 obj << /Title(DESCRIPTION) /Dest [976 0 R /XYZ null 409 null] /Parent 1229 0 R /Prev 1231 0 R /Next 1237 0 R >> endobj 1237 0 obj << /Title(ENVIRONMENT) /Dest [1006 0 R /XYZ null 528 null] /Parent 1229 0 R /Prev 1236 0 R /Next 1238 0 R >> endobj 1238 0 obj << /Title(AUTHORS) /Dest [1006 0 R /XYZ null 486 null] /Parent 1229 0 R /Prev 1237 0 R >> endobj 1229 0 obj << /Title(RODS) /Dest [976 0 R /XYZ null 862 null] /Count -5 /Parent 1053 0 R /Prev 1221 0 R /Next 1239 0 R /First 1230 0 R /Last 1238 0 R >> endobj 1240 0 obj << /Title(DESCRIPTION) /Dest [1025 0 R /XYZ null 703 null] /Parent 1239 0 R /Next 1241 0 R >> endobj 1242 0 obj << /Title(-angsep) /Dest [1025 0 R /XYZ null 607 null] /Parent 1241 0 R /Next 1243 0 R >> endobj 1243 0 obj << /Title(-border) /Dest [1025 0 R /XYZ null 551 null] /Parent 1241 0 R /Prev 1242 0 R /Next 1244 0 R >> endobj 1244 0 obj << /Title(-size HHHxVVV) /Dest [1025 0 R /XYZ null 491 null] /Parent 1241 0 R /Prev 1243 0 R >> endobj 1241 0 obj << /Title(OPTIONS) /Dest [1025 0 R /XYZ null 625 null] /Count -3 /Parent 1239 0 R /Prev 1240 0 R /Next 1245 0 R /First 1242 0 R /Last 1244 0 R >> endobj 1245 0 obj << /Title(ENVIRONMENT) /Dest [1025 0 R /XYZ null 429 null] /Parent 1239 0 R /Prev 1241 0 R /Next 1246 0 R >> endobj 1246 0 obj << /Title(BUGS) /Dest [1025 0 R /XYZ null 345 null] /Parent 1239 0 R /Prev 1245 0 R /Next 1247 0 R >> endobj 1247 0 obj << /Title(AUTHORS) /Dest [1025 0 R /XYZ null 273 null] /Parent 1239 0 R /Prev 1246 0 R >> endobj 1248 0 obj <> endobj 1249 0 obj <> endobj 1044 0 obj <>stream xœÿþ  !"#$%&'()*+,-./0123456789:;<=>?@ABCDEFGHIJKLMNOPQRSTUVWXYZ[\]^_`abcdefghijklmnopqrstuvwxyz{|}~€‚ƒ„…†‡ˆ‰Š‹ŒŽ‘’“”•–—˜™š›œžŸ ¡¢£¤¥¦§¨©ª«¬­®¯°±²³´µ¶·¸¹º»¼½¾¿ÀÁÂÃÄÅÆÇÈÉÊËÌÍÎÏÐÑÒÓÔÕÖ×ØÙÚÛÜÝÞßàáâãäåæçèéêëìíîïðñòóôõö÷øùúûüýþÿ­ö endstream endobj 1043 0 obj <>stream xœÿþ  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molecular graphics package ribbon-drawer .SH SYNOPSIS "ribbon" [\fI-h\fP] [\fI-d[0123456]\fP] pdbfile or "ribbon" [\fI-h\fP] \fI-d[0123456]\fP - (to take PDB records from stdin) .PP \fIRibbon\fP reads a PDB coordinate file and produces a file on stdout containing Raster3D descriptor records for a ribbon representation constructed from a triangular mesh. The file produced by \fIribbon\fP may be fed directly to \fIrender\fP or it may be combined with descriptor files produced by other Raster3D utilities. .PP .SH EXAMPLES .PP To describe a the entire protein chain as a single ribbon colored smoothly from blue at the N-terminus to red at the C-terminus: .PP ribbon -d2 protein.pdb | render > chain_picture.png .PP To color a multi-chain protein with specified colors for each chain: .PP cat chaincolors.pdb protein.pdb | ribbon -d5 - > chains.r3d .SH OPTIONS .B "-h" .PP Suppress header records in output. By default \fIribbon\fP will produce an output file which starts with header records containing a default set of scaling and processing options. The \fI-h\fP flag will suppress these header records so that the output file contains only triangle descriptors. This option is useful for producing files which describe only part of a scene, and which are to be later combined with descriptor files produced by other programs. .B "-d[0123456]" .PP By default \fIribbon\fP requires interactive input to select ribbon parameters and coloring information. Five default coloring schemes are implemented, however, and these may be selected as a command line option to bypass any interactive input. .TP 5 -d or -d0 same as -d2 below .TP 5 -d1 solid color ribbon (defaults to blue) .TP 5 -d2 shade from blue at N-terminus to red at C-terminus .TP 5 -d3 one surface of ribbon is blue, other surface is grey .TP 5 -d4 shade front surface from blue to red, back surface is grey .TP 5 -d5 color separate chains using successive color cards from input stream. Note that pattern matching on the color records is _not_ done; colors are simply taken sequentially as new chains are encountered. .TP 5 -d6 Color by nearest CA atom as taken from the COLOUR records at the head of the input file .SH DESCRIPTION .PP The input to \fIribbon\fP consists of a single text file containing colour information [optional] and atomic coordinates in PDB data bank format. Only CA and carbonyl O atom records are required; all other input atoms are ignored. Ribbon parameters and colouring specified interactively when the program is run. Keyboard interaction may be bypassed by selecting one of the default colouring schemes using the -d flag. A triangular mesh ribbon is output as Raster3D descriptor records. By default the output file contains a set of header records as required by the \fIrender\fP program. The header is constructed to include a TMAT matrix corresponding to the transformation matrix contained in file \fIsetup.matrix\fP (if it exists), or to the Eulerian angles contained in file \fIsetup.angles\fP (if it exists). \fIRibbon\fP produces a continuous smooth trace of the protein backbone. For more complicated representations of protein secondary structure it is better to use a different program, e.g. MOLSCRIPT, rather than \fIribbon\fP. .SH ENVIRONMENT .PP The files setup.matrix and setup.angles, if they exist, affect the header records produced by \fIribbon\fP. .SH SOURCE .B anonymous ftp site: ftp.bmsc.washington.edu .B web URL: http://www.bmsc.washington.edu/raster3d/raster3d.html .B contact: Ethan A Merritt University of Washington, Seattle WA 98195 merritt@u.washington.edu .SH SEE ALSO MOLSCRIPT(l), render(l), rods(l), balls(l) .PP .SH AUTHORS Original ribbon code written by Phil Evans for the CCP4 version of FRODO. Modification to describe solid ribbons as triangular mesh for Phong shading in Raster3D package by Ethan A Merritt. Raster3D_3.0-2/./doc/normal3d.l0000644000471100047110000000461311503455326015770 0ustar merrittmerritt.ad l .nh .TH NORMAL3D 1 "12 Dec 2010" "Raster3D" .SH NAME normal3d - apply transformation matrix in Raster3D input file .SH SYNOPSIS normal3d [options] < infile.r3d > normalized.r3d .SH DESCRIPTION .PP \fInormal3d\fP reads a Raster3D input file from stdin, applies any coordinate manipulations specified in the header, and writes the modified file to stdout. .PP The output file from normal3d describes exactly the same image as the original input file. Header records are left unchanged except for the transfomation matrix (which becomes the identity matrix) and the format specifiers (which are set to *). The -h flag suppresses all header records in the output file. All objects in the input file are also in the output file, but their coordinate descriptions have been normalized (i.e. the original transformation matrix has been applied). .SH OPTIONS .B "-ang AA" .PP Only relevant for generating stereo pairs. By default stereo separation is created using a shear operator. The -ang option instead introduces an angular separation by rotating the left and right eye images by +/- AA degrees with respect to the original view angle. .B "-expand" .PP In-line and normalize all instances of file indirection in the input stream. This results in a single input file containing no file indirection. The default is to simply copy file indirection lines (those begining with @) to the new input file without opening them or normalizing their contents. .B "-h" .PP Suppress header records in output. This option is useful for producing files which describe only part of a scene, and which are to be later combined with descriptor files .B "-size HHHxVVV" .PP Force the image size to HHH pixels horizontal and VVV pixels vertical. .B "-stereo [scratch]" .PP This option causes the program to produce two additional files, left.r3d and right.r3d, that contain header records suitable for rendering the normalized object desctiption file as a side-by-side stereo pair. This option always suppresses header records in the primary output file. If a scratch directory name is given, it is prepended to give output files {scratch}_left.r3d and {scratch}_right.r3d .SH SOURCE .B web URL: http://www.bmsc.washington.edu/raster3d/raster3d.html .B contact: Ethan A Merritt University of Washington, Seattle WA 98195 merritt@u.washington.edu .SH SEE ALSO render(l), raster3d(l), stereo3d(l) .PP .SH AUTHORS Ethan A Merritt. Raster3D_3.0-2/./doc/r3d_objects.l0000644000471100047110000001700511520065635016450 0ustar merrittmerritt.l .nh .TH R3D_OBJECTS 1 " 8 May 1999" "Raster3D" .SH NAME Object types used by the Raster3D package These are the object descriptor types, and the required parameters, recognized by the \fBrender\fP program and other components of the Raster3D package. .SH Object type 1 - triangle x1, y1, z1, x2, y2, z2, x3, y3, z3, red, green, blue; .SH Object type 2 - sphere x, y, z, radius, red, green, blue; .SH Object type 3 - cylinder with round ends x1, y1, z1, R1, x2, y2, z2, R2, red, green, blue. (R1 is the cylinder radius, R2 is currently ignored). .SH Object type 4 - not used .SH Object type 5 - cylinder with flat ends x1, y1, z1, R1, x2, y2, z2, R2, red, green, blue. (R1 is the cylinder radius, R2 is currently ignored). .SH Object type 6 - plane x1, y1, z1, x2, y2, z2, x3, y3, z3, red, green, blue; The plane is defined by any three points. It's color fades from full intensity in the foreground to half-intensity at the back. .SH Object type 7 - Vertex normals Explicit vertex normals for preceding triangle object. This object must directly follow the triangle object, and uses the same format. .SH Object type 8 - Material properties. These values override the specification of lighting and specular highlighting in the header records, allowing some objects to have different surface properties from the rest. The specified values will apply to all subsequent objects until an object of type 9 is encountered. The parameters are read as free format floating point numbers from the next line of the input stream: 8 MPHONG MSPEC SR SG SB CLRITY OPT1 OPT2 OPT3 OPT4 .TP 5 .B MPHONG value >=0 overrides the global Phong power for specular highlighting .TP 5 .B MSPEC value >=0 overrides the global specular scattering contribution .TP 5 .B SR,SG,SB RGB triple specifying color of reflected light (by default all specular highlights are white) A negative value for any component will default to the base colour component of the object being rendered. .TP 5 .B CLRITY The degree of transparency for this material, with 0.0 indicating an opaque surface and 1.0 a purely transparent one. .TP 5 .B OPT1 Affects processing of transparent objects which belong to the same material, but occlude each other (for instance the front and back surfaces of a transparent molecular surface). OPT1 = 0 will render all outward-facing transparent surfaces OPT1 = 1 will render only the topmost outward-facing surface OPT1 = 2 will render both the outward- and inward- facing surfaces of transparent spheres and cylinders .TP 5 .B OPT2 Selects from several variant treatments of transparency as a function of alpha and the Z component ZN of the surface normal. OPT2 = 0 T(ZN) = 0.25(1+cos(pi*alpha*ZN)^2 OPT2 = 1 T(ZN) = (1-abs(alpha*ZN))^2 OPT2 = 2 T(ZN) = 1 - alpha ^ (cos(pi/4) / abs(ZN)) OPT2 = 3 T(ZN) = 1 - alpha Option 0 is an empirical function that I think looks good. .TP 5 .B OPT3 Not used .TP 5 .B OPT4 Non-zero to indicate that additional modifier records follow immediately. Each modifier must constitute a single line, and OPT4 tells how many of these lines there will be. Here is a complete list of modifiers currently available, and their parameters SOLID RED GREEN BLUE BACKFACE RED GREEN BLUE MPHONG MSPEC FRONTCLIP ZFRONT BACKCLIP ZBACK BOUNDING_COLOR RED GREEN BLUE BOUNDING_PLANE BPTYPE X Y Z Xnorm Ynorm Znorm ORTEP_LIKE used to create fancy ellipsoids (see rastep documentation) .SH Object type 9 - End_material Terminates application of all previously defined special material properties (object type 8) or isolation from TMAT transformation (object type 15). .SH Object types 10,11,12 - Label descriptors These object types are used as label descriptors. The current version of render ignores them unless the -labels option is selected on the command line. .TP 0 .B Object type 10 - "font_name" size "alignment" Legal values subject to details of font processing implementation. \fBfont_name\fP is any font name recognized by libgd \fBsize\fP is the font size in points, but is modified by render's -fontscale option \fBalignment\fP is "Left", "Right", "Center", or "Offset". .TP 0 .B Object type 11 - Label text X Y Z R G B (On one line) label position and color Label text (On 2nd line) .SH Object type 13 - Glow light source. This is a colored, non-shadowing, light source with finite [x y z] coordinates and a limited range of illumination. Control parameters are read in free format from a single line of input following the line specifying the object type. 13 GLOWSRC(3) GLOWRAD GLOW GOPT GPHONG GLOWCOL(3) .TP 5 .B GLOWSRC(3) [x y z] coordinates of light source .TP 5 .B GLOWRAD limiting radius of light source (see GOPT) .TP 5 .B GLOW fractional contribution (0.0 - 1.0) of glow light to total lighting model .TP 5 .B GOPT (integer 0/1/2/3/...) - controls functional form in which limiting radius is applied [under development] .TP 5 .B GPHONG Phong parameter controlling specular highlights from glow light .TP 5 .B GLOWCOL(3) RGB triple specifying color of glow light source .SH Object type 14 - Quadric surface x, y, z, limiting_radius, red, green, blue, A, B, C, D, E, F, G, H, I, J Quadric surfaces include spheres, cones, ellipsoids, paraboloids, and hyperboloids. The motivation for this code was to allow rendering thermal ellipsoids for atoms, so the other shapes have not been extensively tested. A quadric surface is described by 10 parameters (A...J). Although these parameters are sufficient to describe a quadric surface located anywhere, for efficiency during rendering it is also useful to know the center and a bounding sphere. So by convention we require that (A...J) describe a surface centered at the origin, and add additional parameters x, y, z to add a translation component. Therefore a QUADRIC descriptor to render has the 17 parameters listed above. The surface is the set of points for which Q(x,y,z) = 0 where Q(x,y,z) = Ax2 + By2 + Cz2 + 2Dxy + 2Eyz + 2Fzx + 2Gx + 2Hy + 2Iz + J Points further from the origin (prior to translation!) than the limiting radius are not rendered. .SH Object type 15 - TMAT Isolation Objects following this descriptor are interpreted as being in an absolute coordinate system centered at the origin and having unit extent in X, Y, and Z. If the image is rectangular, coordinates run from -0.5 to +0.5 along both X and Y. If the image is rectangular, coordinates run from -0.5 to +0.5 along the shorter dimension. The rotation and translation described by the TMAT matrix is not applied. This isolation from TMAT applies to subsequent objects until an object of type 9 is encountered. .SH Object type 16 - Global property Object type 16 is always followed by a single record that affects the rendering of the entire scene. Currently the options are FOG, FRONTCLIP, and BACKCLIP. There are also options ROTATION and TRANSLATION that affect only objects following their appearance in the input stream. .SH Object type 17 - Vertex colours Explicit vertex colours for preceding triangle or cylinder object. R1 G1 B1 R2 G2 B2 R3 G3 B3 .SH Object type 18 - Vertex transparency Explicit transparency at vertices of preceding object. All three values are required, though only the first two are used for cylinders, and only the first one for spheres. Trans1 Trans2 Trans3 .SH Object type 19 - TMAT Isolation Similar to object type 15, except the the x and y scales are the same only in the case of a square image. Both the x and y axes run from -0.5 to +0.5 regardless of the aspect ratio of the rendered image. .SH SEE ALSO PostScript and HTML documentation render(l) Raster3D_3.0-2/./doc/balls.l0000644000471100047110000001111711503454731015342 0ustar merrittmerritt.ad l .nh .TH BALLS 1 "8 May 1999" "Raster3D" .SH NAME balls - preprocessor for space-filling models in Raster3D molecular graphics package .SH SYNOPSIS .PP .B "balls" [\fI-h\fP] .PP \fIBalls\fP reads a file describing atom colours and/or a PDB coordinate file and produces a file containing Raster3D descriptor records for each atom in the input file. The file produced by \fIballs\fP may be fed directly to \fIrender\fP or it may be combined with descriptor files produced by other Raster3D utilities. .PP .SH EXAMPLES .PP To describe a simple space-filling model coloured by residue type: .PP cat mycolours.pdb protein.pdb | balls | render > mypicture.png .PP To include a pre-selected view matrix with the same model: .PP cp view1.matrix setup.matrix cat mycolours.pdb protein.pdb | balls | render > mypicture.png .PP To prepend header records describing a pre-selected scale and view: .PP cat mycolours.pdb protein.pdb | balls -h > balls.r3d cat header.r3d balls.r3d | render > mypicture.png .SH OPTIONS .B "-h" .PP Suppress header records in output. By default \fIballs\fP will produce an output file which starts with header records containing a default set of scaling and processing options. The \fI-h\fP flag will suppress these header records so that the output file contains only sphere descriptors. This option is useful for producing files which describe only part of a scene, and which are to be later combined with descriptor files produced by other programs. .SH DESCRIPTION .PP The input to \fIballs\fP consists of a single text file containing colour information and atomic coordinates in PDB data bank format. Coordinates are output as Raster3D descriptor records with colours and sphere radii assigned according to the COLO records described below. By default atoms are assigned CPK colours. By default the output file contains a set of header records as required by the \fIrender\fP program. The header is constructed to include a TMAT matrix corresponding to the transformation matrix contained in file \fIsetup.matrix\fP (if it exists), or to the Eulerian angles contained in file \fIsetup.angles\fP (if it exists). .PP Colours are assigned to atoms using a matching process, using COLOUR records prepended to the input PDB file. Raster3D uses a pseudo-PDB record type with with COLO in the first 4 columns: Columns 1 - 4 COLO 7 - 30 Mask (described below) 31 - 38 Red component 39 - 46 Green component 47 - 54 Blue component 55 - 60 van der Waals radius in Angstroms 61 - 80 Comments Note that the Red, Green, and Blue components are in the same positions as the X, Y, and Z components of an ATOM or HETA record, and the van der Waals radius goes in place of the Occupancy. The Red, Green, and Blue components must all be in the range 0 to 1. The Mask field is used in the matching process as follows. First the program reads in and stores all the ATOM, HETA, and COLOUR records in input order. Then it goes through each stored ATOM/HETA record in turn, and searches for a COLOUR record that matches the ATOM/HETA record in all of columns 7 through 30. The first such COLOUR record to be found determines the colour and radius of the atom. In order that one COLOUR record can provide colour and radius specifications for more than one atom (e.g., based on residue or atom type, or any other criterion for which labels can be given somewhere in columns 7 through 30), the "#" symbol is used as a wildcard. I.e. a # in a COLOUR record matches any character in the corresponding column in an ATOM or HETA record. All other characters must match literally to count as a match. Note that the very last COLO record in the input should have # symbols in all of columns 7 through 30 in order to provide a colour for any atom whose ATOM/HETA record fails to match any previous COLOUR record. This idea of matching masks for colour specifications is due to Colin Broughton. Several files of COLOUR records, including one based on Bob Fletterick's "Shapely Models" and another mimicking CPK model parts, are provided as samples. .SH ENVIRONMENT .TP 5 The files setup.matrix and setup.angles, if they exist, affect the header records produced by \fIballs\fP. .SH SOURCE .B anonymous ftp site: ftp.bmsc.washington.edu .B web URL: http://www.bmsc.washington.edu/raster3d/raster3d.html .B contact: Ethan A Merritt University of Washington, Seattle WA 98195 merritt@u.washington.edu .SH SEE ALSO render(l), rods(l), ribbon(l) .PP .SH AUTHORS Originally written by David J Bacon and Wayne F Anderson. Extensions and revisions by Ethan A Merritt. Raster3D_3.0-2/./doc/raster3d.l0000664000471100047110000000670511502002030015761 0ustar merrittmerritt.ad l .nh .TH Raster3D 1 "14 December 2010" "Raster3D V3.0" .SH NAME .PP Raster3D molecular graphics package .SH SYNOPSIS .PP The \fIRaster3D\fP molecular graphics package consists of a core program \fIrender\fP and a number of ancillary programs (\fIballs\fP, \fIrastep\fP, \fIrods\fP) which produce input files for rendering from PDB (Protein Data Bank) files of atomic coordinates. \fIRaster3D\fP can also render images composed using other programs such as \fIMOLSCRIPT\fP [Per Kraulis (1991), J. Appl. Cryst. 24, 946-950]. \fIRaster3D\fP is freely available. If you use the package to prepare figures for publication, please give proper credit to the authors. The proper citation for the current version is Merritt & Bacon (1997). Bacon & Anderson (1988) J. Molec. Graphics 6, 219-220. Merritt & Murphy (1994) Acta Cryst. D50, 869-873. Merritt & Bacon (1997) Meth. Enzymol. 277, 505-524. .SH DESCRIPTION .PP \fIRaster3D\fP uses a fast Z-buffer algorithm to produce high quality pixel images featuring one shadowing light source, additional non-shadowing light sources, specular highlighting, transparency, and Phong shaded surfaces. Output is in the form of a pixel image with 24 bits of color information per pixel. \fIRaster3D\fP does not depend on graphics hardware. The following image output formats are supported: AVS, JPEG, PNG, TIFF, and SGI libimage. To actually view or manipulate the images produced, you must also have installed an image viewing package (e.g. John Cristy's ImageMagick or the SGI libimage utilities). A filter utility \fIavs2ps\fP is included in the package which can convert an AVS format output stream directly to a dithered monochrome PostScript image. Although Raster3D is not intended as a general purpose ray-tracing package, nothing in the rendering process is specific to molecular graphics. .SH EXAMPLES Using only programs included in the Raster3D distribution one can create and render space-filling models, ball-and-stick models, ribbon models, and figures composed of any combination of these. The following set of commands would produce a composite figure of an Fe-containing metalloprotein with a smoothly shaded ribbon representation of the protein and spheres drawn for the Fe atoms: # # Draw smooth ribbon with default color scheme 2, # save description (with header records) in ribbon.r3d # cat protein.pdb | ribbon -d2 > ribbon.r3d # # Extract Fe atoms only, and draw as spheres. # Color info is taken from colorfile. # Save description (with no header records) in irons.r3d # grep "FE" protein.pdb | cat colorfile - | balls -h > irons.r3d # # combine the two descriptions and render to a PNG image # cat ribbon.r3d irons.r3d | render > picture.png Integrated use of MOLSCRIPT/Raster3D/ImageMagick allows one to describe, render, and view 3D representations of existing MOLSCRIPT figures: molscript -r infile.dat | render | display png:- .SH SOURCE .B web URL: http://www.bmsc.washington.edu/raster3d/raster3d.html .B contact: Ethan A Merritt University of Washington, Seattle WA 98195 merritt@u.washington.edu .SH SEE ALSO render(l), rastep(l), rods(l), ribbon(l), balls(l), avs2ps(l), stereo3d(l) .PP .SH AUTHORS Originally written by David J Bacon and Wayne F Anderson. Ancillary programs by Mark Israel, Stephen Samuel, Michael Murphy, Albert Berghuis, and Ethan A Merritt. Extensions, revisions, and modifications by Ethan A Merritt. Raster3D_3.0-2/./doc/render.l0000644000471100047110000002634611503456410015532 0ustar merrittmerritt.l .nh .TH RENDER 1 "14 December 2010" "Raster3D V3.0" .SH NAME render - Raster3D molecular graphics package rendering program .SH SYNOPSIS .B "render" < infile.r3d > outfile.png .B "render" -png < infile.r3d > outfile.png .B "render" -avs < infile.r3d > outfile.avs .B "render" [\fI-quality NN\fP] -jpeg < infile.r3d > outfile.jpeg .B "render" -tiff outfile.tiff < infile.r3d .B "render" -sgi "[outfile.rgb]" < infile.r3d .PP \fIRender\fP reads an ascii file consisting of several header lines followed by individual object descriptors. The objects are rendered using a fast Z-buffer algorithm to produce a high quality pixel image which contains one light source, additional non-shadowing light sources, specular highlighting, transparency, and Phong shaded surfaces. Output is to stdout [or optional file] in the form of a pixel image with 24 bits of color information per pixel. The default output format is PNG. .SH OPTIONS .TP 5 .B "-aa" Force anti-aliasing (SCHEME 4) .TP 5 .B "-alpha" Force output of transparency information (SCHEME 0). This only works if the output image format supports an alpha channel (AVS, TIFF, but not JPEG). Note that this turns off anti-aliasing. .TP 5 .B "-avs [outfile.avs]" By default \fIrender\fP will produce an PNG image on stdout. The -avs flag will cause it to output an AVS image file instead, or stream the output to stdout if no file is specified. .TP 5 .B "-bg white|black|#RRGGBB" Set background color. #RRGGBB is a hexadecimal number representing the red, green and blue components. .TP 5 .B "-draft" Turn off anti-aliasing (SCHEME 1) to increase rendering speed. .TP 5 .B "-fontscale" Only meaningful in conjunction with the -labels option. Modifies the interpretation of font sizes during label processing. Defaults to -fontscale 3.0, which will generate images whose labels are at the correct nominal font size when printed at 300 dpi. For images to be viewed on the screen, you probably want to set -fontscale 1. .TP 5 .B "-gamma GG" Apply gamma correction to output image. .TP 5 .B "-help" Prints a short summary of command line options. .TP 5 .B "-invert" Invert image top-to-bottom. This may be necessary if you are using some odd viewing program. .TP 5 .B "-jpeg [outfile.jpeg]" By default \fIrender\fP will produce an PNG image on stdout. The -jpeg flag will cause it to output a JPEG image file instead, or stream the output to stdout if no file is specified. .TP 5 .B "-labels" Process labels (object types 10, 11, 12) and include them in the rendered image. .TP 5 .B "-png [outfile.png]" This is now the default output format. The -png flag will stream the output to stdout if no file is specified. .TP 5 .B "-quality" Only meaningful in conjunction with -jpeg option; sets the quality (compression level) of the output image. Allowable values 1 - 100 (default 90). .TP 5 .B "-[no]shadow" Turn shadowing on or off. .TP 5 .B "-size HHHxVVV" Override the image size parameters (NTX,NTY,NPX,NPY) in file header and produce an output image that is exactly HHH pixels in the horizontal and VVV pixels in the vertical. .TP 5 .B "-sgi [filename.rgb]" Only if compiled with -DLIBIMAGE_SUPPORT. The -sgi flag will cause render to output an SGI libimage style *.rgb file instead of writing to stdout. The filename defaults to render.rgb, but specifying a file on the command line will override this default. .TP 5 .B "-tiff filename" Only if compiled with -DTIFF_SUPPORT. The -tiff flag will cause render to output a TIFF image to the specified file instead of writing to stdout. .TP 5 .B "-transparent" (same as -alpha). Force output of transparency information (SCHEME 0). This only works if the output image format supports an alpha channel (AVS, TIFF, but not JPEG). Note that this turns off anti-aliasing. .TP 5 .B "-zoom ZZ[%] Rescale image by factor ZZ (ZZ% if the % sign is present). .SH HEADER RECORDS .TP 5 .B TITLE Anything you like, up to 80 characters. .TP 5 .B NTX,NTY Number of "tiles" in each direction. (The image is rendered piecemeal by dividing it into an array of equal size rectangular tiles.) The width of the output image in pixels is NTX*NPX by NTY*NPY. The speed of the program is sensitive to the number of tiles. However, as a convenience you can set NPX and NPY to zero and use NTX, NTY to provide the net size of the output image in pixels. In this case the program will choose the number of tiles itself so that you don't have to worry about it. .TP 5 .B NPX,NPY Number of computing pixels per tile in each direction. Maximum = 36 (MAXNPX, MAXNPY in render.f). If you set NPX and NPY to zero, the program will use NTX and NTY as the net size of the image in pixels. .TP 5 .B SCHEME Pixel averaging (anti-aliasing) scheme. Anti-aliasing reduces the jaggedness of edges at the cost of additional computation. 0 no anti-aliasing, include alpha blend (matte) channel 1 no anti-alaising, no matte channel 2 anti-alias by averaging 2x2 block of computed pixels for each output pixel. Resulting image dimensions are 1/2 of the nominal requested size. 3 anti-alias by averaging 3x3 block of computed pixels for each 2x2 block of output pixels. Resulting image dimensions are 2/3 of the nominal requested size. (obsolete - use scheme 4 instead) 4 anti-alias as in scheme 3, but output image dimensions are exactly as requested. I.e. schemes 0, 1, and 4 produce a NTX*NPX by NTY*NPY pixel image; scheme 3 produces a (2/3)NTX*NPX by (2/3)NTY*NPY image. Scheme 3 requires NPX and NPY to be divisible by 3. Schemes 2 and 4 require NPX and NPY to be divisible by 2. .TP 5 .B BKGND Background colour (red, green, and blue components, each in the range 0 to 1). .TP 5 .B SHADOW T to calculate shadowing within the scene, F to omit shadows .TP 5 .B IPHONG Phong power (e.g., 25) for specular reflections. A smaller value results in a larger spot. .TP 5 .B STRAIT Straight-on (secondary) light source contribution (e.g., 0.15). The primary light source contribution (see also SOURCE below) is given by PRIMAR = 1 - STRAIT. .TP 5 .B AMBIEN Ambient reflection quantity (e.g., 0.05). .TP 5 .B SPECLR Specular reflection quantity (e.g., 0.25). The diffuse reflection quantity is given by DIFFUS = 1 - (AMBIEN+SPECLR). Ambient and diffuse reflections are chromatic, taking on the specified colour of each object, whereas specular reflections are white. .TP 5 .B EYEPOS You can think of the image produced by Raster3D as corresponding to a photograph taken by a camera placed a certain distance away from the objects making up the scene. This distance is controlled by the EYEPOS parameter. EYEPOS = 4 describes a perspective corresponding to a viewing distance 4 times the narrow dimension of the described scene. EYEPOS = 0 disables perspective. .TP 5 .B SOURCE Primary light source position (e.g., 1 1 1). This is a white light point source at infinite distance in the direction of this vector (see note on co-ordinate convention below). The secondary light source is always haed-on. Only the primary light source casts shadows. .TP 5 .B TMAT Homogeneous global transformation for input objects, given as a 4x4 matrix on 4 lines just as you would write it if you intended it to be a postfix (suffix) operator. The upper left 3x3 submatrix expresses a pure rotation, the lower left 1x3 submatrix gives a translation, the upper right 3x1 submatrix should be zero (otherwise extra perspective is introduced), and the lower right scalar produces global scaling. Coordinate vectors [x y z] are extended with a 1 to make them homogeneous, and then postmultiplied by the entire matrix; i.e., if [x' y' z' h'] = [x y z 1][TMAT], then the ultimate co-ordinates are [x" y" z"] = (1/h')[x' y' z']. .TP 5 .B INMODE Object input mode (1, 2, or 3), where mode 1 means that all objects are triangles, mode 2 means that all objects are spheres, and mode 3 means that each object will be preceded by a record containing a single number indicating its type. The Raster3D programs always use mode INMODE 3. type 1 = triangle type 2 = sphere type 3 = round-ended cylinder type 4 (not used) type 5 = flat-ended cylinder type 6 = plane (triangle with infinite extent) type 7 = normals at vertices of previous triangle type 8 = material properties for subsequent objects type 9 = terminate previous material properties type 10/11/12 = reserved for label processing type 13 = glow light source type 14 = quadric surface type 15 = do not apply TMAT to subsequent objects type 16 = global rendering properties type 17 = colors for vertices of preceding triangle or cylinder type 0 = end of input file .TP 5 .B INFMT or INFMTS Object input format specifier(s). Normally * for free-format input. .TP 1 .B SAMPLE HEADER Title (This is a 1280x1024 pixel anti-aliased image) 80 64 tiles in x,y 24 24 pixels (x,y) per tile 3 anti-aliasing level 3; 3x3->2x2 0 0 0 black background F no shadows cast 25 Phong power 0.25 secondary light contribution 0.05 ambient light contribution 0.25 specular reflection component 4.0 eye position 1 1 1 main light source (from over right shoulder) 1 0 0 0 TMAT matrix describing 0 1 0 0 input coordinate transformation 0 0 1 0 0 0 0 0.6 enlarge by 40% (smaller scalar -> bigger objects) 3 mixed objects * (free format triangle descriptors) * (free format sphere descriptors) * (free format cylinder descriptors) .PP .SH FILE INDIRECTION .PP At any point in the input stream to render where an object descriptor would be legal, it is also legal to insert a line beginning with `@'. In this case the remainder of the line is interpreted as the name of a file from which further input is taken. This mechanism makes it possible to re-use standard objects in multiple rendered scenes, e.g. a set of bounding planes or standard definitions of material properties. When input from this level of file indirection is terminated by encountering an object descriptor of type 0, control returns to the previous input stream. Multiple levels of file indirection are possible. Files are first searched for in the current directory. If this search fails, they are sought relative to the library directory specified by the environmental variable R3D_LIB. .SH RASTER3D OBJECT TYPES .PP For Raster3D object types and object descriptor formats, see the man page for \fBr3d_objects\fP. .SH ERROR MESSAGES .PP Some error messages may be safely ignored. .PP Possible shadowing error NSXMAX= xxx .PP This is most usually caused by an object which projects far out of the field of view, for example a plane surface. In most cases the shadowing "error" refers to a shadow which lies outside of the image entirely. However, if your image does in fact contain missing or truncated shadows you can overcome this problem by re-compiling the render program with larger values of NSX and NSY as indicated by the error message. .SH SOURCE .B web URL: http://www.bmsc.washington.edu/raster3d/raster3d.html .B contact: Ethan A Merritt University of Washington, Seattle WA 98195 merritt@u.washington.edu .SH SEE ALSO HTML and PostScript documentation r3d_objects(l), avs2ps(l), rastep(l), rods(l), ribbon(l), balls(l), stereo3d(l) .PP .SH AUTHORS Originally written by David J. Bacon. Extensions, revisions, and modifications by Ethan A Merritt. Raster3D_3.0-2/./doc/avs2ps.l0000664000471100047110000000417411502002030015446 0ustar merrittmerritt.ad l .nh .TH AVS2PS 1 " 8 May 1999" "Raster3D" .SH NAME avs2ps - convert AVS image input on stdin to monochrome PostScript on stdout .SH SYNOPSIS avs2ps [-b] [-dpi xxx] < infile.avs > outfile.ps .PP \fIavs2ps\fP converts a 24-bit color image file in AVS format into a dithered monochrome PostScript image with the same number of pixels as the input file. \fIavs2ps\fP may be used as a filter for the output of the \fIrender\fP program to produce a PostScript file directly. \fIavs2ps\fP is machine independent, and does not impose restrictions on the tile size in the original image. It supersedes the programs \fImolras3d\fP and \fIhdither\fP in the viewtools package. .PP .SH EXAMPLES .PP Produce an unbordered black & white image suitable for printing on a 300 dpi PostScript printer. .PP render < infile.r3d | avs2ps > image.ps .PP Add a border, and prepare image for a 400dpi printer .PP render < infile.r3d | avs2ps -b -dpi 400 > image.ps .SH OPTIONS .B "-b" .PP Draw a border around the figure. By default \fIavs2ps\fP will produce a borderless image 0.5 inch in from the bottom left of the page. .B "-dpi xxx" .PP By default \fIavs2ps\fP writes header records into the PostScript output file which are correct for a 300dpi printer (e.g. an HP IIIsi). If there is a mis-match between the header records and the actual resolution of the printer the image quality is substantially degraded. This option allows one to specify a different printer resolution (e.g. -dpi 400 for a Next printer, or -dpi 95 for GhostScript on a 1280x1024 workstation screen). .SH DESCRIPTION .PP \fIavs2ps\fP converts the input stream to a grey scale image and then applies an empirical algorithm for dithering and error propagation to produce a monochrome output image. .SH SOURCE .B anonymous ftp site: ftp.bmsc.washington.edu .B web URL: http://www.bmsc.washington.edu/raster3d/raster3d.html .B contact: Ethan A Merritt University of Washington, Seattle WA 98195 merritt@u.washington.edu .SH SEE ALSO render(l), raster3d(l), avs .PP .SH AUTHORS Ethan A Merritt. Dithering algorithm derived from code by Randy Read and Albert Berghuis. Raster3D_3.0-2/./doc/rods.l0000664000471100047110000001201111503456436015214 0ustar merrittmerritt.ad l .nh .TH RODS 1 " 8 May 1999" "Raster3D" .SH NAME rods - Raster3D preprocessor for ball-and-stick models .SH SYNOPSIS .HB rods [\fI-h\fP] [\fI-b\fP] [\fI-radius R\fP] \fI[-Bcolor Bmin Bmax\fP] .PP \fIRods\fP reads a file describing atom colours and/or a PDB coordinate file and produces a file containing Raster3D descriptor records. The file produced by \fIrods\fP may be fed directly to \fIrender\fP or it may be combined with descriptor files produced by other Raster3D utilities. .PP .SH EXAMPLES .PP To describe a simple bonds-only model coloured by residue type: .PP cat mycolours.pdb protein.pdb | rods | render > mypicture.png .PP To render the same molecule as ball-and-stick: .PP cat mycolours.pdb protein.pdb | rods -b | render > mypicture.png .SH OPTIONS .B "-h" .PP Suppress header records in output. By default \fIrods\fP will produce an output file which starts with header records containing a default set of scaling and processing options. The \fI-h\fP flag will suppress these header records so that the output file contains only object descriptors. This option is useful for producing files which describe only part of a scene, and which are to be later combined with descriptor files produced by other programs. .B "-b" .PP By default \fIrods\fP will describe bonds only; the -b flag will cause it to include spheres at the atom positions also, yielding a ball-and-stick representation. .B "-radius R" .PP By default \fIrods\fP will draw bonds as cylinders with a 0.2A radius. The radius option allows you to change this cylindrical radius. .B "-Bcolor Bmin Bmax" .PP Assign colors based on B values rather than from atom or residue types. Atoms with B <= Bmin will be colored dark blue; atoms with B >= Bmax will be colored light red; atoms with Bmin < B < Bmax will be assigned colors shading smoothly through the spectrum from blue to red. .SH DESCRIPTION .PP The input to \fIrods\fP consists of a single text file containing colour information and atomic coordinates in PDB data bank format. Coordinates are output as Raster3D descriptor records with colours and sphere radii assigned according to the COLO records described below. Ball-and-stick figures have atoms drawn at 0.2 * VanderWaals radius, connected by rods with a default 0.2A cylindrical radius. Bonds are drawn for atoms which lie closer to each other than 0.6 * (sum of VanderWaals radii). By default the output file contains a set of header records as required by the \fIrender\fP program. The header is constructed to include a TMAT matrix corresponding to the transformation matrix contained in file \fIsetup.matrix\fP (if it exists), or to the Eulerian angles contained in file \fIsetup.angles\fP (if it exists). .PP Colours are assigned to atoms using a matching process, using COLOUR records prepended to the input PDB file. If no COLOUR records are present in the input file, atoms will receive default CPK colors (C=grey, O=red, N=blue, S=yellow, P=green, other=magenta). Raster3D uses a pseudo-PDB record type with the same basic layout as the above but with COLO in the first 4 columns: Columns 1 - 4 COLO 7 - 30 Mask (described below) 31 - 38 Red component 39 - 46 Green component 47 - 54 Blue component 55 - 60 van der Waals radius in Angstroms 61 - 80 Comments Note that the Red, Green, and Blue components are in the same positions as the X, Y, and Z components of an ATOM or HETA record, and the van der Waals radius goes in place of the Occupancy. The Red, Green, and Blue components must all be in the range 0 to 1. The Mask field is used in the matching process as follows. First the program reads in and stores all the ATOM, HETA, and COLO records in input order. Then it goes through each stored ATOM/HETA record in turn, and searches for a COLO record that matches the ATOM/HETA record in all of columns 7 through 30. The first such COLO record to be found determines the colour and radius of the atom. In order that one COLO record can provide colour and radius specifications for more than one atom (e.g., based on residue or atom type, or any other criterion for which labels can be given somewhere in columns 7 through 30), the "#" symbol is used as a wildcard. I.e. a # in a COLO record matches any character in the corresponding column in an ATOM or HETA record. All other characters must match literally to count as a match. Note that the very last COLO record in the input should have # symbols in all of columns 7 through 30 in order to provide a colour for any atom whose ATOM/HETA record fails to match any previous COLO record. This idea of matching masks for colour specifications is due to Colin Broughton. .SH ENVIRONMENT The files setup.matrix and setup.angles, if they exist, affect the header records produced by \fIrods\fP. .SH SOURCE .B web URL: http://www.bmsc.washington.edu/raster3d/raster3d.html .B contact: Ethan A Merritt University of Washington, Seattle WA 98195 merritt@u.washington.edu .SH SEE ALSO render(l), ribbon(l), balls(l) .PP .SH AUTHORS Ethan A Merritt Raster3D_3.0-2/./doc/rastep.l0000644000471100047110000001377611502007725015554 0ustar merrittmerritt.ad l .nh .TH RASTEP 1 " 14 Dec 2010" "Raster3D" .SH NAME rastep - (Raster3D Thermal Ellipsoid Program) .SH SYNOPSIS .PP .B "rastep" [\fI-h\fP] [\fI-iso\fP] [\fI-Bcolor Bmin Bmax\fP] .B [\fI-prob Plevel\fP] [\fI-fancy[0-3]\fP] [\fI-radius R\fP] .B < infile.pdb > ellipsoids.r3d .PP .B "rastep" \fI-tabulate [tabfile]\fP [\fI-by_atomtype\fP] .B [\fI-com [comtabfile]\fP] < infile.pdb > statistics.text .PP \fIRastep\fP reads a PDB coordinate file. This file must contain ANISOU records describing atoms refined anisotropically. \fIRastep\fP can either create an input file for the Raster3D render program or perform a statistical analysis of the atomic anisotropy for various classes of input atoms. By default the program creates an ellipsoid+stick scene description in which each atom is represented by an ellipsoid enclosing an isosurface of the probability density function. These are commonly known as thermal ellipsoids. .PP The program can be run in an alternate mode, controlled by the -tabulate option, in which the primary output to stdout is a list of the Eigenvalues of the Uij matrix, followed by the corresponding atomic anisotropy and isotropic Ueq, for each atom in the input file with both an ATOM record and a matching ANISOU record. This mode is used by the validation tools Parvati and Skittls. .PP .SH EXAMPLES .PP To describe thermal ellipsoids at the 50% probability level, with default CPK colors, and send it for immediate rendering into a PNG file .PP rastep < infile.pdb | render -png picture.png .PP To describe the same ellipsoids colored by Biso, omiting header records so that the resulting input file can be merged with other scene components .PP rastep -h -Bcolor 10. 30. < infile.pdb > ellipsoids.r3d cat header.r3d ellipsoids.r3d otherstuff.r3d | render > picture.png .SH OPTIONS .B "-auto" .PP Auto-selection of viewing angle, chosen to minimize the spread of the atoms along the view direction. .B "-Bcolor Bmin Bmax" .PP Assign colors based on B values rather than mathcing ATOM records against input or default COLOUR records. Atoms with B <= Bmin will be colored dark blue; atoms with B >= Bmax will be colored light red; atoms with Bmin < B < Bmax will be assigned colors shading smoothly through the spectrum from blue to red. .B "-fancy[0-6]" .PP The \fI-fancy\fP option selects increasingly complex representations of the rendered ellipsoids. -fancy0 [default] = solid surface -fancy1 = principal axes of ellipsoid, with transparent bounding surface -fancy2 = colored equatorial planes of the ellipsoid -fancy3 = colored equatorial planes with transparent bounding surface -fancy4 = transparent bounding surface containing longest principle axis -fancy5 = for ORTEP lovers, a solid ellipsoid with one octant missing -fancy6 = for ORTEP lovers who want the missing octant in a separate color .B "-h" .PP Suppress header records in output. By default \fIrastep\fP will produce an output file which starts with header records containing a default set of scaling and processing options. The \fI-h\fP flag will suppress these header records. This option is useful for producing files which describe only part of a scene, and which are to be later combined with descriptor files produced by other programs. .B "-iso" .PP Force isotropic probability surfaces (spheres). By default rastep will look for ANISOU records in the PDB file and use these to generate ellipsoids. If no ANISOU record is present for a given atom, the B value given in the ATOM/HETATM record will be used to generate a sphere instead. Selecting the \fI-iso\fP option will force the program to use the B value in the ATOM record even if an ANISOU record is also present. .B "-mini" .PP Auto-orientation (as in -auto) and small size plot (176x208). .B "-nohydrogens" .PP Do not plot hydrogens, even if present in PDB file. .B "-prob Plevel" .PP By default, isosurfaces are drawn to enclose the 50% probability level in the density function described by the Uij values in the ANISOU record. The \fI-prob\fP option allows you to select a different probability level instead. If 0 < Plevel < 1 this value is interpreted as a fraction; if Plevel > 1 this value is interpreted as a percent. .B "-radius R" .PP By default, rastep draws bonds with radius 0.10A between neighboring atoms using the same algorithm as rods. This option allows you to change the radius of the bonds. If the radius is set to 0 no bonds are drawn. .B "-tabulate [tabfile]" .PP The -tabulate option requests that the program accumulate and print statistics on the distribution of anisotropy among atoms in the input file rather than producing an input file for render. The principle axes and anisotropy of each atom are written to stdout. An overall statistical summary is written to tabfile if specified, otherwise to stdout. .B "-by_atomtype" .PP The -by_atomtype option is a modifier to -tabulate. It causes a further subdivision of atoms by atom type in the preparation of statistical summaries. Atom types are taken from columns 77:78 of the PDB ATOM records. .B "-com [comtabfile]" .PP Tabulate distribution of anisotropy in shells by distance from center-of-mass. Output to comtabfile if specified, otherwise to stdout. .SH NOTES .PP There is little, if any, consistency in format among the various programs which write out anisotropic displacement parameters. This program interprets the Uij values in the order specified for ANISOU records in PDB format. That is, columns 29-70 of the PDB record are interpreted as integers representing 10000 * Uij, in the order U11 U22 U33 U12 U13 U23. Note in particular that the order of the cross-terms is not the same as that used by ORTEP or shelx, neither of which use PDB format anyway. However, the program shelxpro will produce correctly formatted PDB records from a shelx coordinate file. .SH SOURCE .B web URL: http://www.bmsc.washington.edu/raster3d/raster3d.html .B contact: Ethan A Merritt University of Washington, Seattle WA 98195 merritt@u.washington.edu .SH SEE ALSO raster3d(l), render(l) .PP .SH AUTHORS Ethan A Merritt. Raster3D_3.0-2/./doc/README.doc0000664000471100047110000000072511502002030015475 0ustar merrittmerrittThe *.l files are standard unix man pages to be filtered through nroff. Install these files by moving them to the appropriate system directory, probably either /usr/local/man/manl or /usr/man/man1. In the latter case you may have to rename them so that the suffix is "1" (number) rather than "l" (lower case L). R3D_manual.pdf is a complete set of Raster3D documentation pages packaged into a PDF file. >>>> HTML documentation files have been moved to ../html <<<< Raster3D_3.0-2/./doc/stereo3d.l0000644000471100047110000000401511503456662016001 0ustar merrittmerritt.ad l .nh .TH STEREO3D 1 "19 Dec 2010" "Raster3D" .SH NAME stereo3d - render a Raster3D scene as a side-by-side stereo pair .SH SYNOPSIS stereo3d [options] [-png [outfile.png ]] < infile.r3d > outfile.png stereo3d [options] -tiff [outfile.tiff] < infile.r3d > outfile.tiff .PP \fIstereo3d\fP is a shell script that renders a single Raster3D input file as a side-by-side stereo pair. stereo3d uses the Raster3D utilities \fInormal3d\fP and \fIrender\fP, and the ImageMagick image processing package. Intermediate scratch files are created in directory TMPDIR, if defined, otherwise in /usr/tmp. The right eye and left eye views are separately rendered, optionally given black borders, and merged to form a single side-by-side stereo pair. .PP Input is from stdin, output is to stdout unless a filename is given as an argument to the -png or -tiff options. .PP .SH EXAMPLES If the following line would render a single image: render -tiff single.tiff < input.r3d then the following line would render the same scene as a stereo pair instead: stereo3d -tiff stereo.tiff < input.r3d .PP .SH OPTIONS The options below are specific to stereo3d. All other options, e.g. -labels or -gamma 1.2 are passed through to the render program. .B "-angsep" .PP By default the stereo effect is generated by a shear operation. The \fI-angsep\fP option creates stereo by using angular separation instead. Neither option is perfect: the default handles shadows badly, and the -angsep option blurs specular highlights. .B "-border" .PP By default the left and right images are placed next to each other with no intervening space and no frame around them. The \fI-border\fP option requests a 4 pixel wide black border separating and surrounding the component images. .SH SOURCE .B web URL: http://www.bmsc.washington.edu/raster3d/raster3d.html .B contact: Ethan A Merritt University of Washington, Seattle WA 98195 merritt@u.washington.edu .SH SEE ALSO normal3d(l), render(l), raster3d(l) .PP .SH AUTHORS Ethan A Merritt. Raster3D_3.0-2/./doc/label3d.l0000664000471100047110000000042511502002030015531 0ustar merrittmerritt.ad l .nh .TH LABEL3D 1 "12 Dec 2010" "Raster3D" .SH NAME label3d - process a Raster3D scene containing labels .SH SYNOPSIS This script is obsolete as of Raster3D version 3.0 .PP Use render -labels instead. .SH SEE ALSO render(l), r3dtops(l), raster3d(l), stereo3d(l) Raster3D_3.0-2/./parse.f0000644000471100047110000001272611503300713014601 0ustar merrittmerritt subroutine parse c Version 2.7c c COMMON /OPTIONS/ FONTSCALE, GAMMA, ZOOM, NSCHEME, SHADOWFLAG, XBG, & NAX, NAY, OTMODE, QUALITY, INVERT, LFLAG REAL FONTSCALE, GAMMA, ZOOM INTEGER NSCHEME, SHADOWFLAG, XBG INTEGER*4 NAX, NAY, OTMODE, QUALITY LOGICAL*2 INVERT, LFLAG c common /asscom/ assout, verbose integer assout logical verbose c character*132 args(4), option, labelfile save args c integer INVERTFLAG parameter (INVERTFLAG=8) c do larg = 1,4 args(larg) = ' ' end do larg = 0 verbose = .false. nax = -1 nay = -1 nscheme = -1 shadowflag = -1 xbg = 0 quality = 90 lflag = .false. zoom = 0. gamma = 1.0 c c Default font scale is 3.0 (appropriate for 300 dpi printers) c This is superseded by the environmental variable FONTSCALE c or a specific command line options -fontscale XX call getenv('FONTSCALE',option) read (option,*,err=8,end=8) fontscale goto 9 8 fontscale = 3.0 9 continue c iarg = 1 nargs = iargc() 10 continue if (iarg .gt. nargs) goto 11 call getarg( iarg, option ) if (option(1:6).eq.'-debug') then verbose = .true. else if (option(1:3).eq.'-aa') then if (option(4:4).eq.'0') then nscheme = 0 else if (option(4:4).eq.'1') then nscheme = 1 else nscheme = 4 end if else if (option(1:6).eq.'-draft') then nscheme = 1 else if (option(1:6).eq.'-alpha') then nscheme = 0 else if (option(1:7).eq.'-transp') then nscheme = 0 else if (option(1:5).eq.'-qual') then iarg = iarg + 1 call getarg( iarg, option ) read (option,*,err=10,end=10) quality if (quality.le.0 .or. quality.gt.100) quality = 95 else if (option(1:5).eq.'-size') then iarg = iarg + 1 call getarg( iarg, option ) kbrk = 2 do k = 15,2,-1 if (option(k:k).eq.'x') kbrk = k if (option(k:k).eq.'X') kbrk = k end do read (option(1:kbrk-1),*,err=10,end=10) nax read (option(kbrk+1:15),*,err=10,end=10) nay if (nscheme.lt.0) nscheme = -4 else if (option(1:6).eq.'-label') then lflag = .true. call getarg( iarg+1, option ) if (iarg.lt.nargs .and. option(1:1).ne.'-') then labelfile = option iarg = iarg + 1 else labelfile = 'label3d.ps' end if else if (option(1:10).eq.'-fontscale') then iarg = iarg + 1 call getarg( iarg, option ) read (option,*,err=10,end=10) fontscale if (fontscale.le.0) fontscale = 3.0 else if (option(1:10).eq.'-gamma') then iarg = iarg + 1 call getarg( iarg, option ) read (option,*,err=10,end=10) gamma if (gamma.le.0) gamma = 1.0 else if (option(1:5).eq.'-zoom') then iarg = iarg + 1 call getarg( iarg, option ) kbrk = 15 do k = 15,2,-1 if (option(k:k).eq.'%') kbrk = k end do read (option(1:kbrk-1),*,err=10,end=10) zoom if (zoom.le.0.) zoom = 0. if (option(kbrk:kbrk).eq.'%') zoom = -zoom else if (option(1:7).eq.'-shadow') then shadowflag = 1 else if (option(1:9).eq.'-noshadow') then shadowflag = 0 else if (option(1:3).eq.'-bg') then iarg = iarg + 1 call getarg( iarg, option ) if (option(1:5).eq.'white') xbg = X'FFFFFF' if (option(1:5).eq.'black') xbg = X'000000' if (option(1:1).eq.'#') then read (option(2:7),'(1Z6)') xbg if (verbose) then write (0,'(1Z12)') xbg endif endif else larg = larg + 1 args(larg) = option end if iarg = iarg + 1 goto 10 11 continue c if (lflag) call lopen(labelfile) c otmode = local(0, args(1), args(2), args(3), args(4)) c if (iand(otmode,invertflag).ne.0) then invert = .false. else invert = .true. end if c end ccc cc c subroutine autotile( nax, nay, modulus ) c implicit NONE c include 'parameters.incl' c common /raster/ ntx,nty,npx,npy integer ntx,nty,npx,npy c common /asscom/ assout, verbose integer assout logical verbose c integer*4 nax, nay c c Anti-aliasing requires that NPY is a multiple of modulus integer modulus c if (nax .gt. 0) then npx = modulus ntx = (nax+npx-1) / npx 21 continue if (mod(ntx,2).eq.0) then ntx = ntx / 2 npx = npx * 2 else if (mod(ntx,3).eq.0) then ntx = ntx / 3 npx = npx * 3 else if (mod(ntx,5).eq.0) then ntx = ntx / 5 npx = npx * 5 else ntx = ntx + 1 end if if (ntx.gt.MAXNTX) goto 21 if (npx.lt.6 .and. ( mod(ntx,2).eq.0 & .or. mod(ntx,3).eq.0 .or. mod(ntx,5).eq.0)) & goto 21 if (npx.gt.MAXNPX) then npx = (MAXNPX/modulus) * modulus ntx = (nax + npx - 1) / npx endif endif if (nay .gt. 0) then npy = modulus nty = (nay+npy-1) / npy 31 continue if (mod(nty,2).eq.0) then nty = nty / 2 npy = npy * 2 else if (mod(nty,3).eq.0) then nty = nty / 3 npy = npy * 3 else if (mod(nty,5).eq.0) then nty = nty / 5 npy = npy * 5 else nty = nty + 1 end if if (nty.gt.MAXNTY) goto 31 if (npy.lt.6 .and. ( mod(nty,2).eq.0 & .or. mod(nty,3).eq.0 .or. mod(nty,5).eq.0)) & goto 31 if (npy.gt.MAXNPY) then npy = (MAXNPY/modulus) * modulus nty = (nay + npy - 1) / npy endif endif if (verbose .and. (nax.gt.0 .or. nay.gt.0)) then write(0,32) 'X',ntx,npx,ntx*npx,nax write(0,32) 'Y',nty,npy,nty*npy,nay 32 format('Autotiling on ',A1,': ',i5,' x ',i5,' = ',i7, & ' >= ',i7) end if c end Raster3D_3.0-2/./BUGS0000644000471100047110000000270511502760164014010 0ustar merrittmerrittAll platforms ============= ==> ImageMagick keeps on changing their option syntax and delegates file format. You may have to tweak the calls to ImageMagick utilities in the stereo3d and label3d scripts to match your local version of ImageMagick. ==> Stereo pairs can be generated by using either a shear operation or by using an angular offset. Both have problems. The shear distorts bounding surfaces. The angular offset displaces specular highlights and totally breaks Z-clipping. - ISOLATE (object code 15) not yet implemented for quadric surfaces - Z-clipped objects cast un-clipped shadows. - The mixed Fortran/C calls to local() generate an interesting variety of compiler warnings because of inadequte type-casting on the Fortran side. - General quadric surfaces (other than ellipsoids) may cast spurious shadows, and always fail to shadow themselves. - Explicit vertex colors take precedence over material colors; (That's a feature, not a bug) - Labels with TeX-like escape sequences are always treated as Left-Align. - ribbon coloring scheme 6 doesn't work AIX === File indirection in render doesn't work, because opening Fortran LUN 6 clobbers C I/O in local.c Work-around : Patch file render_patch.aix modifies render to use LUNs 5,4,3,2,1 for file indirection rather than 6,7,... dispose='delete' not permitted in open statement Work-around : None; temp files accumulate until deleted Raster3D_3.0-2/./VERSION.incl0000664000471100047110000000006611334374765015334 0ustar merrittmerritt CHARACTER*8 VERSION PARAMETER (VERSION='V3.0.0 ') Raster3D_3.0-2/./ungz.c0000664000471100047110000000103711327673235014462 0ustar merrittmerritt/* * Uncompress a raster3d input file into a temporary file */ #include #include #include #ifdef __hpux #define ungz_ ungz #endif int ungz_( origname, tempname ) char *origname, *tempname; { char command[128]; char *t; int ierr; #ifdef GUNZIP t = tempnam( NULL, "R3D%%" ); sprintf( command, "gunzip -c %s > %s", origname, t ); ierr = system( command ); strcpy( tempname, t ); #else fprintf(stderr," >> sorry, no decompression support\n"); ierr = -1; #endif return(ierr); } Raster3D_3.0-2/./Raster3D.csh0000775000471100047110000000032611327673235015464 0ustar merrittmerritt# Raster3D_2.6 # user environment initialization for ?csh # Depending on your system's configuration, it may be sufficient to copy this # file to /etc/profile.d # setenv R3D_LIB /usr/local/share/Raster3D/materials Raster3D_3.0-2/./grasp/0000775000471100047110000000000011522570626014443 5ustar merrittmerrittRaster3D_3.0-2/./grasp/README0000664000471100047110000000323111327673235015325 0ustar merrittmerrittungrasp - a filter for importing GRASP surface files into Raster3D Fortran source distributed as part of Raster3D This directory contains a utility program "ungrasp" which will convert a simple GRASP V1.1 surface file into a list of Raster3D objects. Similar conversion routines could of course be written for other surface generation programs. I hope that the new (version 2.2) support in Raster3D for transparent surfaces will encourage the developers of programs such as GRASP to include an option for direct output of Raster3D files, but for now I have to make due with non-ideal conversion utilities like this one. Here is a list of known problems: - You must select the "absolute centering" option when you save the GRASP surface. That is the only way to preserve the original PDB coordinates associated with the stored surface. - ungrasp does not know about all the possible types of information stored in a GRASP surface file. Currently it can only deal with stored potentials and discrete color indexes. - The ungrasp utility must be compiled and run on the same architecture machine as your GRASP executable. I believe that means SGI only, but I could be wrong. GRASP reference: Anthony Nicholls, Kim Sharp and Barry Honig, PROTEINS, Structure, Function and Genetics, Vol. 11, No.4, 1991, pg. 281ff GRASP homepage: http://tincan.bioc.columbia.edu/Lab/grasp/ Ethan A Merritt - 8 Feb 1996 ----------------------------------------------------------------------------- 18 Mar 1998 The ungrasp code has been updated to use per-vertex colors (object type 17) in Raster3D V2.4d 7 May 1998 And now it works for coloring by potential also Raster3D_3.0-2/./grasp/ungrasp.f0000664000471100047110000002334511327673235016303 0ustar merrittmerritt program ungrasp C************************************************************************ C * C UNGRASP - * C * C This program will take the information from a GRASP surface * C file and convert it to a form usable by the render program in * C Raster3D. Note that the 2nd + 3rd records list the file contents, * C but I haven't added code here to interpret all of them. The program * C can currently handle potentials and vertexcolors. * C * C 30 Sep 1994 Ethan A Merritt - initial version * C 24 Jan 1995 EAM - option to output grid rather than surface * C 16 Feb 1996 EAM - fixed scale conversion of potential to color info * C coordinated with Raster3d Version 2.2 * C Recognize GRASP Version 1.2 files (format2) also * C 18 Mar 1998 EAM - updated code to use explicit vertex colors in * C Raster3D V2.4d * C 7 May 1998 EAM - ditto for calculated potentials * C * C************************************************************************ C parameter (MAXPTS = 200000) C real*4 vertex(3,MAXPTS) real*4 normal(3,MAXPTS) real*4 access(3,MAXPTS) real*4 potent(MAXPTS) real*4 curvature(MAXPTS) real*4 distances(MAXPTS) real*4 gprop1(MAXPTS) real*4 gprop2(MAXPTS) real*4 discol(MAXPTS) integer*2 triangl2(3,MAXPTS) integer*4 triangle(3,MAXPTS) C integer i,j,k,ic real*4 xlo,xhi,ylo,yhi,zlo,zhi logical clip logical grid logical pots, potcol logical cols, vercol character*80 line, line3 character*64 infile, outfile integer*4 nvert, ntriangles, gridsize real*4 lattice, center(3) integer filetype C integer indexc(256) real*4 coltab(256,3) real*4 rgb(3,3) C type 1,'Input file: ' 1 format($,a) accept '(a)', infile open (unit=1, file=infile, status='old', form='unformatted') c c Can we read this file? read (1) line type *,'header line 1:',line if (line(1:8).eq."format=1") then filetype = 1 else if (line(1:8).eq."format=2") then filetype = 2 else type *,'Sorry, unrecognized file format' call exit endif c read (1) line type *,'header line 2:',line c read (1) line3 type *,'header line 3:',line3 read (1) line C type *,'header line 4:',line read (line,*) nvert, ntriangles, gridsize, lattice type *, 'vertices, triangles, gridsize, lattice spacing' type *, nvert, ntriangles, gridsize, lattice read (1) line C type *,'header line 5:',line read (line,*) center type *, 'center' type *, center(1), center(2), center(3) C C Interpret line2 to find contents of file C read (1) (vertex(1,i),vertex(2,i),vertex(3,i), i=1,nvert) read (1) (access(1,i),access(2,i),access(3,i), i=1,nvert) read (1) (normal(1,i),normal(2,i),normal(3,i), i=1,nvert) if (filetype.eq.1) then read (1) (triangl2(1,i),triangl2(2,i),triangl2(3,i), & i=1,ntriangles) do i=1,ntriangles triangle(1,i) = triangl2(1,i) triangle(2,i) = triangl2(2,i) triangle(3,i) = triangl2(3,i) enddo endif if (filetype.eq.2) then read (1) (triangle(1,i),triangle(2,i),triangle(3,i), & i=1,ntriangles) endif C C Interpret line3 to find contents of file C pots = .false. cols = .false. l = 1 11 continue if (line3(l:l).eq." ") then goto 12 else if (line3(l:l).eq.",") then l = l+1 else if (line3(l:l+9).eq."potentials") then pots = .true. l = l+10 else if (line3(l:l+10).eq."vertexcolor") then cols = .true. l = l+11 else type *,'Don''t know how to handle ', line3(l:80) goto 12 endif goto 11 12 continue if (pots) then potmin = 999. potmax = -999. type *,'This file contains potentials' read (1) (potent(i), i=1,nvert) do i=1,nvert if (potent(i).gt.potmax) potmax=potent(i) if (potent(i).lt.potmin) potmin=potent(i) enddo type *,'Potential range:',potmin,potmax type 1,'Color by potential? ' accept '(a80)',line if (line(1:1).eq.'y' .or. line(1:1).eq.'Y') then potcol = .true. type 1,'What did GRASP say the max potential was? ' accept *,potxxx potmax = potxxx potmin = -potxxx else potcol = .false. potxxx = 1.0 endif nclip = 0 do i=1,nvert if (potent(i) .gt. potxxx) then potent(i) = potxxx nclip = nclip + 1 endif if (potent(i) .lt. -potxxx) then potent(i) = -potxxx nclip = nclip + 1 endif enddo type *,nclip,' truncated color values' endif if (cols) then type *,'This file contains discrete vertex colors' read (1) (discol(i), i=1,nvert) do j=1,256 indexc(j) = 0 enddo do i=1,nvert j = discol(i) indexc(j) = indexc(j) + 1 enddo type 1,'Use vertex colours? ' accept '(a80)',line if (line(1:1).eq.'y' .or. line(1:1).eq.'Y') then vercol = .true. do i=1,256 if (indexc(i).gt.0) then type '($,a,i4,a)','RGB components for color',i,': ' accept *, coltab(i,1),coltab(i,2),coltab(i,3) endif enddo endif endif C C DEBUG - print out first 10 of each C goto 100 do i=1,10 type 2, i, (vertex(j,i),j=1,3) 2 format(' Vertex',i4,':',t20,3f8.2) enddo do i=1,10 type 4, i, (normal(j,i),j=1,3) 4 format(' Normal',i4,':',t20,3f8.2) enddo do i=1,10 type 6, i, (triangle(j,i),j=1,3) 6 format(' Triangle',i4,':',t20,3i8) enddo C do i=1,10 i1 = triangle(1,i) i2 = triangle(2,i) i3 = triangle(3,i) type 8, i, (vertex(j,i1),j=1,3), (vertex(k,i2),k=1,3), * (vertex(l,i3),l=1,3) 8 format(' Triangle',i4,':',t20,3f8.2,2(/,t20,3f8.2)) enddo C if (cols) type *, 'Vertex colours',(discol(i),i=1,10) 100 continue C C Allow windowing of triangles output, either to select a C specific subset of the original file contents, or to C reduce the processing overhead in Raster3D by omitting C triangles which will be out of the figure anyway. C type 1,'Clipping bounds (xlo,xhi,ylo,yhi,zlo,zhi:' accept '(a80)',line read (line,*,err=101) xlo,xhi,ylo,yhi,zlo,zhi 101 continue if (xhi.gt.xlo .and. yhi.gt.ylo .and. zhi.gt.zlo) then clip = .TRUE. type 102,xlo,xhi,ylo,yhi,zlo,zhi 102 format('Clipping limits will be: ', 6f10.3) else clip = .FALSE. type *,'No clipping limits' end if C C Allow two output modes C 1) Surface made up of triangles with explicit normals C 2) Grid/mesh made up of thin cylinders along edges of the triangles C type 1,'Output grid rather than surface?' accept '(a80)',line if (line(1:1).eq.'y' .or. line(1:1).eq.'Y') then grid = .true. else grid = .false. C C Grasp seems a bit chaotic about the direction of the normal vectors C it puts out. Allow inversion here. C type 1,'Invert normals?' accept '(a80)',line if (line(1:1).eq.'y' .or. line(1:1).eq.'Y') then invert = -1 else invert = 1 end if end if C C Write out a Raster3D format file consisting of triangles C and surface normals (obviously needs a new version of render!) C type 1,'Output file: ' accept '(a)', outfile open (unit=2, file=outfile, form='FORMATTED', * carriagecontrol='LIST', status='UNKNOWN') C C Assume constant colour for surface, unless discrete vertex colors are C in the GRASP file. C red = 0.855 green = 0.855 blue = 0.855 radius = 0.018 do i=1,ntriangles i1 = triangle(1,i) i2 = triangle(2,i) i3 = triangle(3,i) if (clip) then if (vertex(1,i1).lt.xlo .or. vertex(1,i1).gt.xhi) goto 200 if (vertex(2,i1).lt.ylo .or. vertex(2,i1).gt.yhi) goto 200 if (vertex(3,i1).lt.zlo .or. vertex(3,i1).gt.zhi) goto 200 end if if (potcol) then call potrgb( potent(i1), potmin, potmax, rgb(1,1) ) call potrgb( potent(i2), potmin, potmax, rgb(1,2) ) call potrgb( potent(i3), potmin, potmax, rgb(1,3) ) endif if (vercol) then j1 = discol(i1) j2 = discol(i2) j3 = discol(i3) red = (coltab(j1,1) + coltab(j2,1) + coltab(j3,1)) / 3. green = (coltab(j1,2) + coltab(j2,2) + coltab(j3,2)) / 3. blue = (coltab(j1,3) + coltab(j2,3) + coltab(j3,3)) / 3. endif C /* Grid of lines along triangle edges */ if (grid) then write (2,10) (vertex(j,i1),j=1,3), radius, * (vertex(k,i2),k=1,3), radius, * red, green, blue write (2,10) (vertex(k,i2),k=1,3), radius, * (vertex(l,i3),l=1,3), radius, * red, green, blue write (2,10) (vertex(l,i3),l=1,3), radius, * (vertex(j,i1),j=1,3), radius, * red, green, blue 10 format('3',/, 3f8.3, f8.3, 3f8.3, f8.3, 1x, 3f6.2) C /* Surface made up of triangles with explicit normals */ else write (2,14) (vertex(j,i1),j=1,3), * (vertex(k,i2),k=1,3), * (vertex(l,i3),l=1,3), * red, green, blue 14 format('1',/, 3f8.3, 3f8.3, 3f8.3, 1x, 3f6.2) write (2,16) (invert * normal(j,i1),j=1,3), * (invert * normal(k,i2),k=1,3), * (invert * normal(l,i3),l=1,3) 16 format('7',/, 3f8.3, 3f8.3, 3f8.3, 1x, 3f6.2) if (vercol) then write (2,17) (coltab(j1,ic),ic=1,3), * (coltab(j2,ic),ic=1,3), * (coltab(j3,ic),ic=1,3) else if (potcol) then write (2,17) (rgb(k,1),k=1,3), * (rgb(k,2),k=1,3), * (rgb(k,3),k=1,3) endif 17 format('17',/, 3f8.3, 3f8.3, 3f8.3, 1x, 3f6.2) end if 200 continue enddo C end subroutine potrgb( potential, potmin, potmax, rgb ) real*4 potential, potmin, potmax real*4 rgb(3) c if (potential.lt.0) then rgb(1) = 0.8 + 0.1*(potential/potmin) rgb(2) = 0.8 - 0.8*(potential/potmin) rgb(3) = 0.8 - 0.8*(potential/potmin) else rgb(3) = 0.8 + 0.1*(potential/potmin) rgb(2) = 0.8 - 0.8*(potential/potmax) rgb(1) = 0.8 - 0.8*(potential/potmax) endif rgb(1) = rgb(1)*rgb(1) rgb(2) = rgb(2)*rgb(2) rgb(3) = rgb(3)*rgb(3) return end Raster3D_3.0-2/./normal3d.f0000644000471100047110000013042111503336741015211 0ustar merrittmerritt* Not really used by normal3d, but needed in order to link with qinp MODULE LISTS INTEGER, ALLOCATABLE, DIMENSION(:,:) :: KOUNT, MOUNT INTEGER, ALLOCATABLE, DIMENSION(:,:) :: TTRANS INTEGER ISTRANS END MODULE LISTS PROGRAM NORMAL3D * * Version 3.0 (14 Dec 2010) * * EAM Jan 1996 - Initial release as part of version 2.2 * EAM Aug 1996 - Add -expand option to deal with file indirection * EAM Feb 1997 - Handle additional MATERIAL records * -stereo flag to generate left.r3d and right.r3d * EAM Apr 1997 - now handles labels and glowlights * EAM May 1997 - (well, now it does) V2.3c * EAM Jul 1997 - quadric surfaces, ISOLATION * EAM Oct 1997 - fix bug that prevented handling CYLFLAT objects * EAM Nov 1997 - handle VERTEXRGB records, allow # as comment * EAM Jul 1998 - remove Q format from LABEL input; wrong, but fewer complaints * EAM Oct 1998 - check environmental variable R3D_LIB for input file indirection * EAM Feb 1999 - FRONTCLIP, BACKCLIP * EAM Jul 1999 - preliminary work towards a post-hoc rotation option * EAM Jan 2000 - V2.5b general release * EAM Feb 2000 - compatible with new object type VERTRANSP * EAM Sep 2000 - V2.5e uncompress files ending in .Z or .gz * EAM Feb 2001 - BOUNDING_PLANEs * EAM Feb 2002 - [-stereo [TMPNAM]] [-angle AA] * stereo defaults to shear (as before); force EYEPOS = 0 * but specifying -angle AA switches to +/- AA separation instead * You can't win: shear breaks bounding planes, AA breaks Z-clip * EAM Dec 2010 - Dynamic array allocation to match that in render * * This program is part of the Raster3D package. * It is simply a stripped down version of the input section of render. * It reads in a render input file, applies the transformation matrix in * the header, and writes out a modified render input file describing the * same image using a unitary transformation matrix and normalized object * coordinates. All header records are basically passed through without * interpretation except for the transformation matrix (which changes to the * identity matrix) and the format lines (which are set to *). * * Input (line by line except where noted): * * - TITLE anything you like * - NTX,NTY tiles in each direction * - NPX,NPY pixels per tile to compute in each direction * - SCHEME pixel averaging scheme (0, 1, 2, 3 or 4) * - 0 no anti-aliasing, maintain alpha channel * - 1 no anti-aliasing, no alpha channel * - 2 means 2x2 computing pixels for 1 output pixel * - 3 means 3x3 computing pixels for 2x2 output pixels * - 4 like 3, but NTX..NPY specify final rather than initial raster * - BKGND background colour (r,g,b in range 0 to 1) * - SHADOW "shadow mode?" (T or F) * - IPHONG Phong power (e.g., 20) * - STRAIT straight-on (2ndary) light component (e.g., 0.1) * - AMBIEN ambient light component (e.g., 0.05) * - SPECLR specular reflection component (e.g., 0.30) * - EYEPOS eye position (e.g., 4) * - relative to 1=narrow dimension of screen * - used for perspective (0.0 = no perspective) * - don't put it in the transformation matrix yourself * - SOURCE main light source position (x,y,z components) * - vector length ignored, point source is at infinity * - TMAT global transformation on input objects * - postfix 4x4 matrix on 4 lines, as you would write it * - upper left 3x3 must be pure rotation * - lower left 1x3 is translation * - lower right 1x1 is global scaling (reduction) * - upper right 3x1 causes extra perspective (should be 0) * - applies to homogeneous co-ordinates (x,y,z,1) * - radii are only scaled down by global scaling TMAT(4,4) * - INMODE object input mode (1, 2, or 3) * - mode 1: all objects are triangles * - mode 2: all objects are spheres * - mode 3: each object will be preceded by type * - INFMT or INFMTS object input format(s), 1 per line * - one format for modes 1 and 2, or three for mode 3 * - each is fortran format in parentheses, or single * * - for 3 formats, the order of formats and details is: * - triangle: x1,y1,z1,x2,y2,z2,x3,y3,z3,r,g,b * - sphere: x,y,z,radius,r,g,b * - trcone: x1,y1,z1,rad1,x2,y2,z2,rad2,r,g,b * - cylinder: as truncated cone, but 2nd radius ignored * - objects * - modes 1,2: each object starts on a new line * - read according to the single format given * - mode 3: each object is preceded by a line giving type * - type 1: triangle * - type 2: sphere * - type 3: cylinder with rounded ends * - type 4: trcone made of spheres (not implemented) * - type 5: cylinder with flat ends * - type 6: plane (=triangle with infinite extent) * - type 7: normal vectors for previous triangle * - type 8: material definition which applies to subsequent objects * - type 9: end previous material * - type 10: font specifier, we need to note coordinate convention * - type 11: label, we may have to modify coordinates * - type 12: reserved for more labeling options * - type 13: glowlight * - type 14: quadric surface * - type 15: don't apply TMAT to subsequent objects * - type 16: global property on following line * - type 17: vertex colors for previous object * - type 18: vertex transparencies for previous object * - type 19: variant of type 15; forces unitary coordinate sytem * - type 0: no more objects (equivalent to eof) * *----------------------------------------------------------------------------- * * Overkill: IMPLICIT REAL (A-H, O-Z) * INCLUDE 'VERSION.incl' * * I/O units for control input, file indirection, data output, info output INTEGER STDIN, INPUT0, OUTPUT, NOISE PARAMETER (STDIN=5, INPUT0=7, OUTPUT=6, NOISE=0) INTEGER LEFT, RIGHT PARAMETER (LEFT=1, RIGHT=2) * INTEGER ILEVEL * * Codes for triangle, sphere, truncated cone, and string of pearls INTEGER TRIANG, SPHERE, INTERNAL, CYLIND, CYLFLAT INTEGER PLANE, QUADRIC, MXTYPE, FONT, GLOWLIGHT INTEGER NORMS, VERTEXRGB, VERTRANSP PARAMETER (TRIANG = 1) PARAMETER (SPHERE = 2) PARAMETER (CYLIND = 3) PARAMETER (INTERNAL = 4) PARAMETER (CYLFLAT = 5) PARAMETER (PLANE = 6) PARAMETER (NORMS = 7) PARAMETER (MATERIAL = 8) PARAMETER (MATEND = 9) PARAMETER (FONT = 10, LABEL = 11) PARAMETER (GLOWLIGHT= 13) PARAMETER (QUADRIC = 14) PARAMETER (ISOLATE1 = 15) PARAMETER (GPROP = 16) PARAMETER (VERTEXRGB= 17) PARAMETER (VERTRANSP= 18) PARAMETER (ISOLATE2 = 19) PARAMETER (MXTYPE = 19) * * $$$$$$$$$$$$$ ARRAY SIZE LIMITS $$$$$$$$$$$$$$ INCLUDE 'parameters.incl' * * $$$$$$$$$$$$$$$$$ END OF LIMITS $$$$$$$$$$$$$$$$$$$$$$$ * * * Title for run CHARACTER*132 TITLE * * Number of tiles COMMON /RASTER/ NTX, NTY, NPX, NPY INTEGER NTX, NTY, NPX, NPY * * Pixel averaging scheme INTEGER SCHEME * * Background colour REAL BKGND(3) * * "Shadow mode?" LOGICAL SHADOW * * Phong power INTEGER IPHONG * * Straight-on (secondary) light source contribution REAL STRAIT * * Ambient light contribution REAL AMBIEN * * Specular reflection component REAL SPECLR * * Primary light source position REAL SOURCE(3) * * Input transformation COMMON /MATRICES/ XCENT, YCENT, SCALE, EYEPOS, SXCENT, SYCENT, & TMAT, TINV, TINVT, SROT, SRTINV, SRTINVT & ,RAFTER, TAFTER REAL XCENT, YCENT, SCALE, SXCENT, SYCENT * Transformation matrix, inverse, and transposed inverse REAL TMAT(4,4), TINV(4,4), TINVT(4,4) * Shortest rotation from light source to +z axis REAL SROT(4,4), SRTINV(4,4), SRTINVT(4,4) * Post-hoc transformation on top of original TMAT REAL RAFTER(4,4), TAFTER(3) EXTERNAL DET REAL DET * * Distance (in +z) of viewing eye REAL EYEPOS * * Input mode INTEGER INMODE * * Buffer one line of input for decoding CHARACTER*132 LINE * * Input format(s) CHARACTER*80 INFMTS(MXTYPE),INFMT * * Free-format input flag LOGICAL INFLGS(MXTYPE),INFLG * * Allow very long names for file indirection CHARACTER*132 FULLNAME * * Stuff for shading c REAL NL(3),NORMAL(3),LDOTN c REAL RGBCUR(3),RGBSHD(3),RGBFUL(3) c REAL SPECOL(3) * * Support for transparency REAL OPT(4) INTEGER OPT4 * * Support for quadric surfaces EXTERNAL QINP LOGICAL QINP, ISQUAD REAL QTRANS(17) * * Input buffer for details REAL BUF(100) * * Copy of NOISE for ASSERT to see INTEGER ASSOUT LOGICAL VERBOSE COMMON /ASSCOM/ ASSOUT, VERBOSE SAVE /ASSCOM/ * * The number of "details" each object type is supposed to have * : input, object, shadow INTEGER IDET(MXTYPE), SDET(MXTYPE) * c c LOGICAL HFLAG, XFLAG, SFLAG, SKIP CHARACTER*132 FLAGS CHARACTER*132 TMPNAM INTEGER LENTMP * * Stuff for labels CHARACTER*80 FONTNAME, FONTALIGN CHARACTER*128 LABELSTRING REAL FONTSIZE * * Support for a "glow" light source REAL GLOWSRC(3), GLOWCOL(3), GDIST(3), GLOWRAD, GLOW INTEGER GOPT, GPHONG * * Support for decompression on the fly EXTERNAL ungz INTEGER ungz * * Support for BOUNDING_PLANE internal object type REAL BPLANE(3), BPNORM(3) * * Keep track of actual coordinate limits (for information only) COMMON /NICETIES/ TRULIM, ZLIM, FRONTCLIP, BACKCLIP & , ISOLATION REAL TRULIM(3,2), ZLIM(2), FRONTCLIP, BACKCLIP INTEGER ISOLATION * Assume no clipping BACKCLIP = -HUGE FRONTCLIP = HUGE TRULIM (1,1) = HUGE TRULIM (2,1) = HUGE TRULIM (3,1) = HUGE TRULIM (1,2) = -HUGE TRULIM (2,2) = -HUGE TRULIM (3,2) = -HUGE * IDET(TRIANG) = 12 IDET(SPHERE) = 7 IDET(CYLFLAT) = 11 IDET(CYLIND) = 11 IDET(PLANE) = 12 IDET(NORMS ) = 9 IDET(MATERIAL) = 10 IDET(LABEL) = 6 IDET(GLOWLIGHT)= 10 IDET(QUADRIC) = 17 IDET(VERTEXRGB)= 9 IDET(VERTRANSP)= 3 IDET(INTERNAL) = 20 SDET(TRIANG) = 13 SDET(SPHERE) = 4 SDET(CYLIND) = 8 SDET(QUADRIC) = 14 SDET(INTERNAL) = 20 SDET(PLANE) = 1 SDET(NORMS ) = 1 SDET(MATERIAL) = 1 SDET(GLOWLIGHT)= 1 SDET(VERTEXRGB)= 1 SDET(VERTRANSP)= 1 * c c -h option suppresses header records in output c -expand option expands and in-lines all file indirection c (and normalizes the in-lined data) c -noexpand (the default) simply copies file indirection commands c to output file c -stereo will create parallel files left.r3d and right.r3d c -debug requests additional output information c -angle specifies angular offset of left/right views from the original c e.g. -angle 3.0 sets left eye view to +3 degress, right eye to -3 degrees c HFLAG = .FALSE. XFLAG = .FALSE. SFLAG = .FALSE. skip = .false. nax = -1 nay = -1 sepang = 0.0 TMPNAM = '_' c c various tmp variables that gfortran wants to have initialized IALIGN = 0 lentmp = 1 c c i = 1 NARG = IARGC() 10 continue if (i .gt. narg) goto 11 CALL GETARG(I,FLAGS) IF (FLAGS(1:2) .EQ. '-h' .AND. FLAGS(1:5) .NE. '-help') THEN HFLAG = .TRUE. ELSE IF (FLAGS(1:4) .EQ. '-exp') THEN XFLAG = .TRUE. else if (flags(1:5).eq.'-size') then i = i + 1 call getarg( i, flags) kbrk = 2 do k = 15,2,-1 if (flags(k:k).eq.'x') kbrk = k if (flags(k:k).eq.'X') kbrk = k end do read (flags(1:kbrk-1),*,err=10,end=10) nax read (flags(kbrk+1:15),*,err=10,end=10) nay ELSE IF (FLAGS(1:7) .EQ. '-stereo') THEN SFLAG = .TRUE. lentmp =1 IF (I.LT.NARG) THEN CALL GETARG(I+1, FLAGS) IF (FLAGS(1:1).NE.'-') THEN do j=1,len(flags) if (flags(j:j).lt.'!') goto 88 enddo 88 lentmp = j TMPNAM = FLAGS(1:lentmp-1)//'_' skip = .true. ENDIF ENDIF write(0,'(A,A)') 'tmpdir = ',TMPNAM(1:lentmp) ELSE IF (FLAGS(1:6) .EQ. '-debug') THEN VERBOSE = .TRUE. else if (flags(1:4) .eq. '-ang') then if (i.lt.narg) then call getarg(i+1, flags) read(flags,'(1f6.0)',end=89,err=89) sepang skip = .true. endif else if (flags(1:6) .eq. '-label') then continue else if (skip) then skip = .false. ELSE goto 89 ENDIF i = i + 1 goto 10 89 continue WRITE (NOISE,'(/,A,A)') & 'Raster3D Normalization Program ', VERSION WRITE (NOISE,'(A)') 'syntax:' WRITE (NOISE,'(A,A)') & ' normal3d [options] < infile.r3d > outfile.r3d' WRITE (NOISE,'(4X,A,1X,A)') & '-h ', & 'suppress header records in output', & '-expand ', & 'expand and in-line all file indirection', & '-size HHHxVVV ', & 'set output image size', & '-stereo [tmpdir]', & 'create $$_left.r3d and $$_right.r3d in tmpdir' CALL EXIT(-1) c 11 continue c IF (SFLAG) THEN HFLAG = .TRUE. OPEN(UNIT=LEFT,FILE=TMPNAM(1:lentmp)//'left.r3d', & STATUS='UNKNOWN') OPEN(UNIT=RIGHT,FILE=TMPNAM(1:lentmp)//'right.r3d', & STATUS='UNKNOWN') ENDIF * * Copy the info (also error reporting) unit number to common ASSOUT = NOISE WRITE (NOISE,*) '%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%', & '%%%%%%%%%%%%%%%%%%%%%%%%%%' WRITE (NOISE,*) '% Raster3D normalization ', & 'program ',VERSION,' %' WRITE (NOISE,*) '% -----------------------', & '------------- %' WRITE (NOISE,*) '% If you publish figures generated by this ', & 'program please cite %' WRITE (NOISE,*) '% Merritt & Bacon (1997) ', & 'Meth. Enzymol. 277, 505-524.',' %' WRITE (NOISE,*) '% -----------------------', & '------------- %' WRITE (NOISE,*) '% comments & suggestions to: ', & ' merritt@u.washington.edu',' %' WRITE (NOISE,*) '%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%', & '%%%%%%%%%%%%%%%%%%%%%%%%%%' * * Ready for input records ILEVEL = 0 INPUT = STDIN ISOLATION = 0 * * Get title 100 CONTINUE READ (INPUT,1) TITLE 1 FORMAT (A) IF (TITLE(1:1) .EQ. '#') THEN IF (.NOT.HFLAG) WRITE(OUTPUT,1) TITLE GOTO 100 ENDIF * * 2.4h - allow file indirection for header J = 1 K = 132 L = 132 IF (TITLE(1:1) .EQ. '@') THEN DO I=132,2,-1 IF (TITLE(I:I).NE.' ') J = I ENDDO OPEN (UNIT=INPUT0,ERR=101,STATUS='OLD',FILE=TITLE(J:132)) WRITE (NOISE,'(A,A)') ' + Opening input file ',TITLE(J:132) INPUT = INPUT0 ILEVEL = 1 READ (INPUT,'(A)',ERR=101) TITLE IF (TITLE(1:1).EQ.'#') GOTO 100 GOTO 102 101 WRITE (NOISE,'(A,A)') ' >> Cannot open or read file ',TITLE(2:132) CALL EXIT(-1) 102 CONTINUE ENDIF * DO K = 132,1,-1 IF (TITLE(K:K).NE.' ') GOTO 103 ENDDO 103 CONTINUE IF (.NOT.HFLAG) WRITE(OUTPUT,1) TITLE(1:K) IF (SFLAG) WRITE(LEFT,1) TITLE(1:K) IF (SFLAG) WRITE(RIGHT,1) TITLE(1:K) * * Get number of tiles READ (INPUT,1,END=104) LINE READ (LINE,*,ERR=104) NTX,NTY CALL ASSERT (NTX.GT.0, 'ntx.le.0') CALL ASSERT (NTY.GT.0, 'nty.le.0') * Get number of pixels per tile READ (INPUT,1,END=104) LINE READ (LINE,*,ERR=104) NPX,NPY * Get pixel averaging scheme READ (INPUT,1,END=104) LINE READ (LINE,*,ERR=104) SCHEME CALL ASSERT (SCHEME.GE.0 .AND. SCHEME.LE.4, 'bad scheme') GOTO 105 104 CALL ASSERT(.FALSE., & '>>> This doesnt look like a Raster3D input file! <<<') 105 CONTINUE * * Let render autotile it if npx=0 or -size on command line if (nax.gt.0 .or. nay.gt.0) then if (scheme.eq.3) scheme = 4 ntx = nax nty = nay npx = 0 npy = 0 endif * 22 format(2I6) if (.not.hflag) then write (output,22) ntx, nty write (output,22) npx, npy write (output,22) scheme endif if (sflag) then write (left,22) ntx, nty write (left,22) npx, npy write (left,22) scheme write (right,22) ntx, nty write (right,22) npx, npy write (right,22) scheme endif * * Some derived parameters if (npx.eq.0) npx = 1 if (npy.eq.0) npy = 1 XCENT = NTX*NPX/2. YCENT = NTY*NPY/2. SCALE = 2.*MIN(XCENT,YCENT) * * Get background colour READ (INPUT,1) LINE READ (LINE,*) BKGND IF (.NOT.HFLAG) WRITE (OUTPUT,1) LINE IF (SFLAG) WRITE (LEFT,1) LINE IF (SFLAG) WRITE (RIGHT,1) LINE CALL ASSERT (BKGND(1).GE.0., 'bkgnd(1) < 0') CALL ASSERT (BKGND(2).GE.0., 'bkgnd(2) < 0') CALL ASSERT (BKGND(3).GE.0., 'bkgnd(3) < 0') CALL ASSERT (BKGND(1).LE.1., 'bkgnd(1) > 1') CALL ASSERT (BKGND(2).LE.1., 'bkgnd(2) > 1') CALL ASSERT (BKGND(3).LE.1., 'bkgnd(3) > 1') * * Get "shadows" flag READ (INPUT,1) LINE READ (LINE,*) SHADOW IF (.NOT.HFLAG) WRITE (OUTPUT,1) LINE IF (SFLAG) WRITE (LEFT,1) LINE IF (SFLAG) WRITE (RIGHT,1) LINE * * Get Phong power READ (INPUT,1) LINE READ (LINE,*) PHONG IPHONG = PHONG IF (.NOT.HFLAG) WRITE (OUTPUT,1) LINE IF (SFLAG) WRITE (LEFT,1) LINE IF (SFLAG) WRITE (RIGHT,1) LINE CALL ASSERT (IPHONG.GE.0, 'iphong < 0') * * Get contribution of straight-on (secondary) light source READ (INPUT,1) LINE READ (LINE,*) STRAIT IF (.NOT.HFLAG) WRITE (OUTPUT,1) LINE IF (SFLAG) WRITE (LEFT,1) LINE IF (SFLAG) WRITE (RIGHT,1) LINE CALL ASSERT (STRAIT.GE.0., 'strait < 0') CALL ASSERT (STRAIT.LE.1., 'strait > 1') * * Derive contribution of primary light source PRIMAR = 1. - STRAIT * * Get contribution of ambient light READ (INPUT,1) LINE READ (LINE,*) AMBIEN IF (.NOT.HFLAG) WRITE (OUTPUT,1) LINE IF (SFLAG) WRITE (LEFT,1) LINE IF (SFLAG) WRITE (RIGHT,1) LINE CALL ASSERT (AMBIEN.GE.0., 'ambien < 0') CALL ASSERT (AMBIEN.LE.1., 'ambien > 1') * * Get component of specular reflection READ (INPUT,1) LINE READ (LINE,*) SPECLR IF (.NOT.HFLAG) WRITE (OUTPUT,1) LINE IF (SFLAG) WRITE (LEFT,1) LINE IF (SFLAG) WRITE (RIGHT,1) LINE CALL ASSERT (SPECLR.GE.0., 'speclr < 0') CALL ASSERT (SPECLR.LE.1., 'speclr > 1') * * Derive component of diffuse reflection CALL ASSERT (AMBIEN+SPECLR.LE.1., 'ambien+speclr > 1') DIFFUS = 1. - (AMBIEN+SPECLR) * * Note distance of viewing eye, but don't apply it here * Force it to 0 (no perspective) for stereo READ (INPUT,1) LINE READ (LINE,*) EYEPOS IF (.NOT.HFLAG) WRITE (OUTPUT,1) LINE IF (SFLAG) THEN WRITE (LEFT,1) '0.0 Stereo is better with no perspective' WRITE (RIGHT,1) '0.0 Stereo is better with no perspective' ENDIF CALL ASSERT (EYEPOS.GE.0., 'eyepos.lt.0') EYEPOS = 0.0 * * Get position of primary light source READ (INPUT,1) LINE READ (LINE,*) SOURCE IF (.NOT.HFLAG) WRITE (OUTPUT,1) LINE SMAG = SQRT(SOURCE(1)**2 + SOURCE(2)**2 + SOURCE(3)**2) SOURCE(1) = SOURCE(1) / SMAG SOURCE(2) = SOURCE(2) / SMAG SOURCE(3) = SOURCE(3) / SMAG * * Get input transformation IF (VERBOSE) WRITE (NOISE,*) 'tmat (v'' = v * tmat):' DO I=1,4 READ (INPUT,*) (TMAT(I,J),J=1,4) IF (VERBOSE) WRITE (NOISE,*) (TMAT(I,J),J=1,4) END DO IF (.NOT.HFLAG) THEN WRITE (OUTPUT,*) ' 1. 0. 0. 0.' WRITE (OUTPUT,*) ' 0. 1. 0. 0.' WRITE (OUTPUT,*) ' 0. 0. 1. 0.' WRITE (OUTPUT,*) ' 0. 0. 0. 1.' ENDIF IF (SFLAG) THEN c [-angle AA] forces left/right headers with angular offset if (sepang .gt. 0) then write (noise,12) & ' stereo separation angle +/-',sepang,' degrees' 12 format(a,1x,1f6.2,a) cossep = cos(sepang*0.017453293) sinsep = sin(sepang*0.017453293) c Counter-rotate light source so that both views have same illumination x = source(1)*cossep - source(3)*sinsep y = source(2) z = source(1)*sinsep + source(3)*cossep write (right,14) x,y,z,'Primary light source' x = source(1)*cossep + source(3)*sinsep z = -source(1)*sinsep + source(3)*cossep write (left,14) x,y,z,'Primary light source' 13 format(1x,f9.5,1x,f4.1,1x,f9.5,3x,f4.1,5x,a) 14 format(1x,3f8.4,12x,a) write (left,13) cossep, 0., -sinsep, 0., 'left eye view' write (left,13) 0., 1., 0., 0. write (left,13) sinsep, 0., cossep, 0. write (left,13) 0., 0., 0., 1.0 write (right,13) cossep, 0., sinsep, 0., 'right eye view' write (right,13) 0., 1., 0., 0. write (right,13) -sinsep, 0., cossep, 0. write (right,13) 0., 0., 0., 1.0 else c Otherwise left/right headers differ by a shear operation write (LEFT,14)source(1),source(2),source(3),'Primary light' WRITE (LEFT,*) ' 1. 0. 0. 0.' WRITE (LEFT,*) ' 0. 1. 0. 0.' WRITE (LEFT,*) ' 0.03 0. 1. 0. Left eye view' WRITE (LEFT,*) ' 0. 0. 0. 1.' write (RIGHT,14)source(1),source(2),source(3),'Primary light' WRITE (RIGHT,*) ' 1. 0. 0. 0.' WRITE (RIGHT,*) ' 0. 1. 0. 0.' WRITE (RIGHT,*) '-0.03 0. 1. 0. Right eye view' WRITE (RIGHT,*) ' 0. 0. 0. 1.' endif ENDIF * * By popular demand, add a post-hoc rotation/translation option * that uses matrices of the form used by O and molscript * Initialized here to identity matrix; set by GPROP options. DO I = 1,4 DO J = 1,4 RAFTER(I,J) = 0.0 ENDDO RAFTER(I,I) = 1.0 TAFTER(I) = 0.0 ENDDO * * Compute the rotation matrix which takes the light * source to the +z axis (i.e., to the viewpoint). * first make p = source cross z (and normalize p) P1 = SOURCE(2) P2 = -SOURCE(1) * p3 = 0 PLEN = SQRT(P1**2 + P2**2) IF (PLEN .GT. 0.0) P1 = P1 / PLEN IF (PLEN .GT. 0.0) P2 = P2 / PLEN * phi is the angle between source and z (shortest route) COSPHI = SOURCE(3) SINPHI = PLEN SROT(1,1) = P1**2 + (1.-P1**2)*COSPHI SROT(1,2) = P1*P2*(1.-COSPHI) SROT(1,3) = P2*SINPHI SROT(2,1) = SROT(1,2) SROT(2,2) = P2**2 + (1.-P2**2)*COSPHI SROT(2,3) = -P1*SINPHI SROT(3,1) = -SROT(1,3) SROT(3,2) = -SROT(2,3) SROT(3,3) = COSPHI SROT(1,4) = 0.0 SROT(2,4) = 0.0 SROT(3,4) = 0.0 SROT(4,1) = 0.0 SROT(4,2) = 0.0 SROT(4,3) = 0.0 SROT(4,4) = 1.0 * * Quadrics will require the inverse matrix also (and its transpose) CALL QSETUP * * Get input mode READ (INPUT,1) LINE READ (LINE,*) INMODE IF (.NOT.HFLAG) WRITE (OUTPUT,1) LINE IF (SFLAG) WRITE (LEFT,1) LINE IF (SFLAG) WRITE (RIGHT,1) LINE CALL ASSERT (INMODE.GE.1.,'bad inmode') IF (INMODE.GT.3) WRITE (NOISE,*) 'Non-standard INMODE',INMODE * * Get input format(s) IF (INMODE.EQ.1.OR.INMODE.EQ.2) THEN READ (INPUT,'(A)') INFMT IF (.NOT.HFLAG) WRITE (OUTPUT,'(A1)') '*' IF (SFLAG) WRITE (LEFT, '(A1)') '*' IF (SFLAG) WRITE (RIGHT,'(A1)') '*' II = 0 2 CONTINUE IF (INFMT(1:1).EQ.' ') THEN INFMT(1:79) = INFMT(2:80) INFMT(80:80) = ' ' II = II + 1 IF (II.LT.80) GO TO 2 ENDIF IF (INFMT(1:1).EQ.'*') THEN INFLG = .TRUE. ELSE INFLG = .FALSE. ENDIF ELSEIF (INMODE.GE.3) THEN DO 4 I=1,3 READ (INPUT,'(A)') INFMTS(I) IF (.NOT.HFLAG) WRITE (OUTPUT,'(A1)') '*' IF (SFLAG) WRITE (LEFT, '(A1)') '*' IF (SFLAG) WRITE (RIGHT,'(A1)') '*' II = 0 3 CONTINUE IF (INFMTS(I)(1:1).EQ.' ') THEN INFMTS(I)(1:79) = INFMTS(I)(2:80) INFMTS(I)(80:80) = ' ' II = II + 1 IF (II.LT.80) GO TO 3 ENDIF IF (INFMTS(I)(1:1).EQ.'*') THEN INFLGS(I) = .TRUE. ELSE INFLGS(I) = .FALSE. ENDIF 4 CONTINUE INFLGS(PLANE) = INFLGS(TRIANG) INFMTS(PLANE) = INFMTS(TRIANG) INFLGS(NORMS) = INFLGS(TRIANG) INFMTS(NORMS) = INFMTS(TRIANG) INFLGS(VERTEXRGB) = INFLGS(TRIANG) INFMTS(VERTEXRGB) = INFMTS(TRIANG) INFLGS(VERTRANSP) = INFLGS(TRIANG) INFMTS(VERTRANSP) = INFMTS(TRIANG) INFLGS(MATERIAL) = .TRUE. INFLGS(FONT) = .TRUE. INFLGS(LABEL) = .TRUE. INFLGS(GLOWLIGHT) = .TRUE. INFLGS(QUADRIC) = .TRUE. ELSE CALL ASSERT (.FALSE.,'crash 4') ENDIF * IF (SFLAG) CLOSE(LEFT) IF (SFLAG) CLOSE(RIGHT) c c Done with header records c As of V2.5e, keep reading until file ends c >>> This is a change <<< c c IF (INPUT.NE.STDIN) THEN c CLOSE(INPUT) c INPUT = STDIN c ENDIF * * c npropm = 0 ntransp = 0 nsphere = 0 ncylind = 0 nplanes = 0 ntriang = 0 nquads = 0 nlabels = 0 c c Objects in, and count up objects that may impinge on each tile NDET = 0 MDET = 0 N = 0 c c Read in next object 7 CONTINUE IF (INMODE.EQ.1.OR.INMODE.EQ.2) THEN INTYPE = INMODE GOTO 8 ENDIF c Aug 1996 - allow file indirection READ (INPUT,'(A)',END=50) LINE IF (LINE(1:1) .EQ. '#') THEN WRITE (OUTPUT,1) LINE GOTO 7 ELSE IF (LINE(1:1) .NE. '@') THEN READ (LINE,*,END=50) INTYPE ELSE IF (.NOT.XFLAG) THEN WRITE (OUTPUT,1) LINE GOTO 7 ELSE CALL ASSERT(ILEVEL.LT.MAXLEV, & 'Too many levels of indirection') J = 1 K = 132 L = 132 DO I=132,2,-1 IF (LINE(I:I).NE.' ') J = I IF (LINE(I:I).EQ.'#') K = I-1 IF (LINE(I:I).EQ.'!') K = I-1 IF (LINE(I:I).EQ.CHAR(0)) K = I-1 IF (LINE(I:I).EQ.' ') LINE(I:I) = ' ' ENDDO IF (J.EQ.1) GOTO 74 DO I=J,K IF (LINE(I:I).NE.' ') L = I ENDDO K = L IF (LINE(K:K).EQ.'Z' .or. LINE(K-1:K).eq.'gz') THEN cdebug cdebug ungz will uncompress into a temporary file, which ought to be cdebug deleted later. Unfortunately, that's hard to do in g77, since cdebug it doesn't support dispose='DELETE'. line(k+1:k+1) = char(0) if (0 .gt. ungz( line(j:k+1), fullname )) goto 74 j = 1 k = 132 do i=132,2,-1 if (fullname(i:i).eq.' ') k = i-1 if (fullname(i:i).eq.char(0)) k = i-1 enddo if (verbose) & write(noise,*) 'Creating temporary file: ',fullname(j:k) open (unit=input0+ilevel,err=74,status='OLD', & file=fullname(j:k)) fullname = line(2:132) goto 72 cdebug ENDIF 70 CONTINUE OPEN (UNIT=INPUT0+ILEVEL,ERR=71,STATUS='OLD', & FILE=LINE(J:K)) FULLNAME = LINE(J:K) GOTO 72 71 CONTINUE IF (LINE(K-3:K).NE.'.r3d') THEN K = K + 4 LINE(K-3:K) = '.r3d' GOTO 70 ENDIF CALL LIBLOOKUP( LINE(J:K), FULLNAME ) OPEN (UNIT=INPUT0+ILEVEL,ERR=74,STATUS='OLD',FILE=FULLNAME) 72 CONTINUE DO I = 132,2,-1 IF (FULLNAME(I:I).EQ.' ') J = I ENDDO WRITE (NOISE,'(A,A)') ' + Opening input file ',FULLNAME(1:J) INPUT = INPUT0+ILEVEL ILEVEL = ILEVEL + 1 GOTO 7 74 WRITE (NOISE,'(A,A)') ' >> Cannot open file ',LINE(J:K) GOTO 7 ENDIF c IF (INTYPE.EQ.0) GO TO 50 IF (INTYPE .EQ. MATEND) THEN WRITE (OUTPUT,1) LINE ISOLATION = 0 GOTO 7 ELSE WRITE (OUTPUT,'(I2)') INTYPE END IF IF (INTYPE.EQ.CYLFLAT) INTYPE = CYLIND CALL ASSERT (INTYPE.GE.1.AND.INTYPE.LE.MXTYPE,'bad object') CALL ASSERT (INTYPE.NE.INTERNAL,'Object type 4 not supported') c 8 CONTINUE INFMT = INFMTS(INTYPE) INFLG = INFLGS(INTYPE) c c handle non-numerical input elsewhere IF (INTYPE.EQ.FONT) THEN GOTO 9 ELSE IF (INTYPE.EQ.GPROP) THEN GOTO 9 ELSE IF (INTYPE.EQ.ISOLATE1) THEN ISOLATION = 1 GOTO 7 ELSE IF (INTYPE.EQ.ISOLATE2) THEN ISOLATION = 2 GOTO 7 c ELSE IF (INFLG) THEN READ (INPUT,*,END=50) (BUF(I),I=1,IDET(INTYPE)) ELSE READ (INPUT,INFMT,END=50) (BUF(I),I=1,IDET(INTYPE)) ENDIF * Allow an all-zeroes record to terminate input for the * benefit of those of us who might inadvertently supply * a series of blank records after our real input as a * side-effect of tape blocking or sloppiness or ... * 15-Dec-1999 Oops! all zeros is legal input for [at least] LABEL IF (INTYPE.EQ.LABEL) goto 9 DO I=1,IDET(INTYPE) IF (BUF(I).NE.0.) GO TO 9 ENDDO GO TO 50 9 CONTINUE N = N + 1 * From this point on, we'll use the symbolic codes for objects IF (INTYPE.EQ.TRIANG .or. INTYPE.EQ.PLANE) THEN * triangle as read in IF (INTYPE.EQ.TRIANG) NTRIANG = NTRIANG + 1 IF (INTYPE.EQ.PLANE) NPLANE = NPLANE + 1 NDET = NDET + IDET(INTYPE) MDET = MDET + SDET(INTYPE) X1A = BUF(1) Y1A = BUF(2) Z1A = BUF(3) X2A = BUF(4) Y2A = BUF(5) Z2A = BUF(6) X3A = BUF(7) Y3A = BUF(8) Z3A = BUF(9) RED = BUF(10) GRN = BUF(11) BLU = BUF(12) CALL CHKRGB( RED,GRN,BLU,'invalid triangle color') CALL ASSERT (IDET(INTYPE).EQ.12,'idet(1).ne.12') * Isolated objects not transformed by TMAT IF (ISOLATION.EQ.0) THEN * update true coordinate limits TRULIM(1,1) = MIN( TRULIM(1,1), X1A,X2A,X3A) TRULIM(1,2) = MAX( TRULIM(1,2), X1A,X2A,X3A) TRULIM(2,1) = MIN( TRULIM(2,1), Y1A,Y2A,Y3A) TRULIM(2,2) = MAX( TRULIM(2,2), Y1A,Y2A,Y3A) TRULIM(3,1) = MIN( TRULIM(3,1), Z1A,Z2A,Z3A) TRULIM(3,2) = MAX( TRULIM(3,2), Z1A,Z2A,Z3A) * modify the input, so to speak CALL TRANSF (X1A,Y1A,Z1A) CALL TRANSF (X2A,Y2A,Z2A) CALL TRANSF (X3A,Y3A,Z3A) ENDIF * write it back out again WRITE (OUTPUT,91) X1A,Y1A,Z1A, X2A,Y2A,Z2A, X3A,Y3A,Z3A, & RED,GRN,BLU 91 FORMAT( 3F10.5,1X,3F10.5,1X,3F10.5,1X,3F6.3 ) ELSEIF (INTYPE.EQ.SPHERE) THEN * sphere as read in NSPHERE = NSPHERE + 1 NDET = NDET + IDET(INTYPE) MDET = MDET + SDET(INTYPE) XA = BUF(1) YA = BUF(2) ZA = BUF(3) RA = BUF(4) RED = BUF(5) GRN = BUF(6) BLU = BUF(7) CALL CHKRGB( RED,GRN,BLU,'invalid sphere color') CALL ASSERT (IDET(INTYPE).EQ.7,'idet(2).ne.7') * Isolated objects not transformed by TMAT IF (ISOLATION.EQ.0) THEN * update true coordinate limits TRULIM(1,1) = MIN( TRULIM(1,1), XA ) TRULIM(1,2) = MAX( TRULIM(1,2), XA ) TRULIM(2,1) = MIN( TRULIM(2,1), YA ) TRULIM(2,2) = MAX( TRULIM(2,2), YA ) TRULIM(3,1) = MIN( TRULIM(3,1), ZA ) TRULIM(3,2) = MAX( TRULIM(3,2), ZA ) * modify the input, as it were CALL TRANSF (XA,YA,ZA) RA = RA / TMAT(4,4) ENDIF * write it back out again WRITE (OUTPUT,92) XA,YA,ZA, RA, RED,GRN,BLU 92 FORMAT( 3F10.5,1X,F10.5,1X,3F6.3 ) ELSEIF (INTYPE.EQ.CYLIND) THEN NCYLIND = NCYLIND + 1 NDET = NDET + IDET(INTYPE) MDET = MDET + SDET(INTYPE) X1A = BUF(1) Y1A = BUF(2) Z1A = BUF(3) R1A = BUF(4) X2A = BUF(5) Y2A = BUF(6) Z2A = BUF(7) R2A = R1A RED = BUF(9) GRN = BUF(10) BLU = BUF(11) CALL CHKRGB( RED,GRN,BLU,'invalid cylinder color') CALL ASSERT (IDET(INTYPE).EQ.11,'idet(1).ne.11') * Isolated objects not transformed by TMAT IF (ISOLATION.EQ.0) THEN * update true coordinate limits TRULIM(1,1) = MIN( TRULIM(1,1), X1A,X2A) TRULIM(1,2) = MAX( TRULIM(1,2), X1A,X2A) TRULIM(2,1) = MIN( TRULIM(2,1), Y1A,Y2A) TRULIM(2,2) = MAX( TRULIM(2,2), Y1A,Y2A) TRULIM(3,1) = MIN( TRULIM(3,1), Z1A,Z2A) TRULIM(3,2) = MAX( TRULIM(3,2), Z1A,Z2A) * modify the input, so to speak CALL TRANSF (X1A,Y1A,Z1A) CALL TRANSF (X2A,Y2A,Z2A) R1A = R1A / TMAT(4,4) R2A = R2A / TMAT(4,4) ENDIF * write it back out again WRITE (OUTPUT,93) X1A,Y1A,Z1A, R1A, X2A,Y2A,Z2A, R2A, & RED,GRN,BLU 93 FORMAT ( 3F10.5,1X,F10.5,1X,3F10.5,1X,F10.5,1X,3F6.3 ) ELSEIF (INTYPE.EQ.NORMS) THEN * vertex normals as given (these belong to previous triangle) NNORMS = NNORMS + 1 NDET = NDET + IDET(INTYPE) MDET = MDET + SDET(INTYPE) X1A = BUF(1) Y1A = BUF(2) Z1A = BUF(3) X2A = BUF(4) Y2A = BUF(5) Z2A = BUF(6) X3A = BUF(7) Y3A = BUF(8) Z3A = BUF(9) IF (ISOLATION.EQ.0) THEN * Apply rotation matrix, but not translation components X1B = X1A*TMAT(1,1) + Y1A*TMAT(2,1) + Z1A*TMAT(3,1) Y1B = X1A*TMAT(1,2) + Y1A*TMAT(2,2) + Z1A*TMAT(3,2) Z1B = X1A*TMAT(1,3) + Y1A*TMAT(2,3) + Z1A*TMAT(3,3) X2B = X2A*TMAT(1,1) + Y2A*TMAT(2,1) + Z2A*TMAT(3,1) Y2B = X2A*TMAT(1,2) + Y2A*TMAT(2,2) + Z2A*TMAT(3,2) Z2B = X2A*TMAT(1,3) + Y2A*TMAT(2,3) + Z2A*TMAT(3,3) X3B = X3A*TMAT(1,1) + Y3A*TMAT(2,1) + Z3A*TMAT(3,1) Y3B = X3A*TMAT(1,2) + Y3A*TMAT(2,2) + Z3A*TMAT(3,2) Z3B = X3A*TMAT(1,3) + Y3A*TMAT(2,3) + Z3A*TMAT(3,3) * Also apply post-rotation, if any X1A = RAFTER(1,1)*X1B + RAFTER(1,2)*Y1B + RAFTER(1,3)*Z1B Y1A = RAFTER(2,1)*X1B + RAFTER(2,2)*Y1B + RAFTER(2,3)*Z1B Z1A = RAFTER(3,1)*X1B + RAFTER(3,2)*Y1B + RAFTER(3,3)*Z1B X2A = RAFTER(1,1)*X2B + RAFTER(1,2)*Y2B + RAFTER(1,3)*Z2B Y2A = RAFTER(2,1)*X2B + RAFTER(2,2)*Y2B + RAFTER(2,3)*Z2B Z2A = RAFTER(3,1)*X2B + RAFTER(3,2)*Y2B + RAFTER(3,3)*Z2B X3A = RAFTER(1,1)*X3B + RAFTER(1,2)*Y3B + RAFTER(1,3)*Z3B Y3A = RAFTER(2,1)*X3B + RAFTER(2,2)*Y3B + RAFTER(2,3)*Z3B Z3A = RAFTER(3,1)*X3B + RAFTER(3,2)*Y3B + RAFTER(3,3)*Z3B ENDIF * write it back out again WRITE (OUTPUT,91) X1A,Y1A,Z1A, X2A,Y2A,Z2A, X3A,Y3A,Z3A * * Vertex colors for preceding triangle * (no transformation needed) * ELSEIF (INTYPE .EQ. VERTEXRGB) THEN NDET = NDET + IDET(INTYPE) MDET = MDET + SDET(INTYPE) CALL CHKRGB( BUF(1),BUF(2),BUF(3),'invalid vertex color') CALL CHKRGB( BUF(4),BUF(5),BUF(6),'invalid vertex color') CALL CHKRGB( BUF(7),BUF(8),BUF(9),'invalid vertex color') WRITE (OUTPUT,91) BUF(1),BUF(2),BUF(3),BUF(4),BUF(5),BUF(6), & BUF(7),BUF(8),BUF(9) * ELSEIF (INTYPE .EQ. VERTRANSP) THEN NDET = NDET + IDET(INTYPE) MDET = MDET + SDET(INTYPE) WRITE (OUTPUT,91) BUF(1),BUF(2),BUF(3) * * Material properties are saved with no further manipulation * ELSEIF (INTYPE .EQ. MATERIAL) THEN NPROPM = NPROPM + 1 NDET = NDET + IDET(INTYPE) MDET = MDET + SDET(INTYPE) NBOUNDS = 0 SPHONG = BUF(1) SSPEC = BUF(2) SR = BUF(3) SG = BUF(4) SB = BUF(5) CLRITY = BUF(6) OPT(1) = BUF(7) OPT(2) = BUF(8) OPT(3) = BUF(9) OPT(4) = BUF(10) WRITE (OUTPUT,94) SPHONG, SSPEC, SR,SG,SB, CLRITY, & OPT(1),OPT(2),OPT(3),OPT(4) 94 FORMAT (F5.0,1X,F5.2,1X,3F7.3,1X,F6.3,3X,4F6.1) * 24-Feb-1997 OPT(4) signals additional MATERIAL records OPT4 = OPT(4) IF (OPT4.GT.0) THEN L = 1 DO I = 1, OPT4 READ (INPUT,'(A)',END=50) LINE DO J = 132, 1, -1 IF (LINE(J:J).NE.' '.AND.LINE(J:J).NE.' ') L = J ENDDO IF (LINE(L:L+8).EQ.'FRONTCLIP') THEN READ(LINE(L+10:132),*) ZCLIP ZCLIP = ZCLIP / TMAT(4,4) WRITE(OUTPUT,'(A9,1X,F9.3)') 'FRONTCLIP',ZCLIP ELSE IF (LINE(L:L+7).EQ.'BACKCLIP') THEN READ(LINE(L+9:132),*) ZCLIP ZCLIP = ZCLIP / TMAT(4,4) WRITE(OUTPUT,'(A8,2X,F9.3)') 'BACKCLIP',ZCLIP ELSE IF (LINE(L:L+13).EQ.'BOUNDING_PLANE') THEN NBOUNDS = NBOUNDS + 1 READ (LINE(L+15:132),*) IBPTYPE,XB,YB,ZB,xn,yn,zn CALL TRANSF(XB,YB,ZB) xnb = xn*TMAT(1,1) + yn*TMAT(2,1) + zn*TMAT(3,1) ynb = xn*TMAT(1,2) + yn*TMAT(2,2) + zn*TMAT(3,2) znb = xn*TMAT(1,3) + yn*TMAT(2,3) + zn*TMAT(3,3) xn = RAFTER(1,1)*xnb + RAFTER(1,2)*ynb + RAFTER(1,3)*znb yn = RAFTER(2,1)*xnb + RAFTER(2,2)*ynb + RAFTER(2,3)*znb zn = RAFTER(3,1)*xnb + RAFTER(3,2)*ynb + RAFTER(3,3)*znb temp = sqrt(xn*xn + yn*yn + zn*zn) xn = xn/temp yn = yn/temp zn = zn/temp write(output,'(A14,I3,3(1X,F10.5),3F9.5)') & 'BOUNDING_PLANE',ibptype,xb,yb,zb,xn,yn,zn ELSE WRITE(OUTPUT,1) LINE ENDIF ENDDO ENDIF NDET = NDET + NBOUNDS*IDET(INTERNAL) MDET = MDET + NBOUNDS*SDET(INTERNAL) * * Font alignment options: * C - centered, have to transform coords * L - left, "" * R - right, "" * O - offset, leave font offsets alone! ELSEIF (INTYPE .EQ. FONT) THEN READ (INPUT,'(A)',END=50) LINE READ (LINE,*) FONTNAME, FONTSIZE, FONTALIGN IF (FONTALIGN(1:1).EQ.'C') THEN IALIGN=1 ELSE IF (FONTALIGN(1:1).EQ.'R') THEN IALIGN=2 ELSE IF (FONTALIGN(1:1).EQ.'O') THEN IALIGN=3 ELSE IALIGN=0 ENDIF WRITE(OUTPUT,1) LINE GOTO 7 ELSEIF (INTYPE .EQ. LABEL ) THEN READ (INPUT,702,END=50) LABELSTRING 702 FORMAT(A) nlabels = nlabels + 1 XA = BUF(1) YA = BUF(2) ZA = BUF(3) IF (ISOLATION.EQ.0) THEN IF (IALIGN.NE.3) CALL TRANSF (XA,YA,ZA) ENDIF RED = BUF(4) GRN = BUF(5) BLU = BUF(6) CALL CHKRGB( RED,GRN,BLU,'invalid label color') WRITE (OUTPUT,801) XA,YA,ZA, RED,GRN,BLU 801 FORMAT(3f10.4,2x,3f6.3) WRITE (OUTPUT,1) LABELSTRING GOTO 7 ELSEIF (INTYPE .EQ. GLOWLIGHT) THEN GLOWSRC(1) = BUF(1) GLOWSRC(2) = BUF(2) GLOWSRC(3) = BUF(3) GLOWRAD = BUF(4) GLOW = BUF(5) GOPT = BUF(6) GPHONG = BUF(7) * Isolated objects not transformed by TMAT IF (ISOLATION.EQ.0) THEN CALL TRANSF(GLOWSRC(1),GLOWSRC(2),GLOWSRC(3)) GLOWRAD = GLOWRAD/TMAT(4,4) ENDIF RED = BUF(8) GRN = BUF(9) BLU = BUF(10) CALL CHKRGB( RED,GRN,BLU,'invalid glow light color') WRITE (OUTPUT,802) GLOWSRC,GLOWRAD,GLOW,GOPT,GPHONG,RED,GRN,BLU 802 FORMAT(4f10.4,1x,f4.2,1x,i4,1x,i4,2x,3f6.3) GOTO 7 * ELSEIF (INTYPE.EQ.QUADRIC) THEN NQUADS = NQUADS + 1 ISQUAD = QINP( BUF(1), QTRANS(1), .FALSE., BUF(50) ) xa = (qtrans(1) - xcent) / scale ya = (qtrans(2) - ycent) / scale za = qtrans(3) / scale ra = qtrans(4) / scale write (output,803) xa,ya,za,ra, (qtrans(i),i=5,17) 803 format(4f10.4,4x,3f6.3,/,10(1x,f10.4)) * ELSEIF (INTYPE.EQ.GPROP) THEN read (input,702,end=50) line do j = 132, 1, -1 if (line(j:j).ne.' '.and.line(j:j).ne.' ') l = j enddo if (line(l:l+2).eq.'FOG') then write(output,1) line else if (line(l:l+8).EQ.'FRONTCLIP') then read (line(l+10:132),*) zclip zclip = zclip / TMAT(4,4) write(output,'(''FRONTCLIP '',f7.3)') zclip else if (line(l:l+7).EQ.'BACKCLIP') then read (line(10:132),*) zclip zclip = zclip / TMAT(4,4) write(output,'(''BACKCLIP '',f7.3)') zclip else if (line(l:l+7).eq.'ROTATION') then read (line(l+9:132),*,err=771,end=771) & ((RAFTER(i,j),j=1,3),i=1,3) goto 772 771 read (input,*,err=48) ((RAFTER(i,j),j=1,3),i=1,3) 772 continue WRITE (NOISE,775) ((RAFTER(I,J),J=1,3),I=1,3) 775 FORMAT('Post-rotation matrix: ',3(/,3F10.4)) d = det(rafter) IF (ABS(1.0-ABS(D)).GT.0.02) WRITE (NOISE,*) & '>>> Warning: Post-rotation matrix has determinant',D call qsetup write(output,'(''DUMMY ROTATION'')') else if (line(l:l+10).eq.'TRANSLATION') then read (input,*,err=48) (TAFTER(i),i=1,3) write(output,'(''DUMMY TRANSLATION'')') else write(output,1) line endif goto 7 48 continue write(NOISE,'(A,A)') & '>> Unrecognized or incomplete GPROP option ',LINE c ELSEIF (INTYPE.EQ.INTERNAL) THEN CALL ASSERT(.FALSE.,'>>> Object type 4 not supported') ELSE CALL ASSERT(.FALSE.,'crash 50') ENDIF GO TO 7 * * here for end of objects * 50 CONTINUE IF (ILEVEL.GT.0) THEN ILEVEL = ILEVEL - 1 IF (VERBOSE) WRITE (NOISE,*) ' - closing indirect input file' CLOSE(INPUT) IF (ILEVEL.EQ.0) THEN INPUT = STDIN ELSE INPUT = INPUT - 1 ENDIF GOTO 7 ENDIF * WRITE(NOISE,*)'-------------------------------' IF (NPLANES.NE.0) WRITE(NOISE,*) 'planes =',NPLANES IF (NSPHERE.NE.0) WRITE(NOISE,*) 'spheres =',NSPHERE IF (NCYLIND.NE.0) WRITE(NOISE,*) 'cylinders =',NCYLIND IF (NTRIANG.NE.0) WRITE(NOISE,*) 'triangles =',NTRIANG IF (NQUADS .NE.0) WRITE(NOISE,*) 'quadric surfaces =',NQUADS IF (NTRANSP.NE.0) WRITE(NOISE,*) 'transparent objs =',NTRANSP WRITE(NOISE,*)'-------------------------------' IF (NLABELS.NE.0) WRITE(NOISE,*) 'labels =',NLABELS WRITE(NOISE,*)'-------------------------------' * WRITE (NOISE,*) 'Compare these to the array dimensions in render:' IF (NPROPM.NE.0) WRITE(NOISE,*) 'special materials =',NPROPM, & ' (check against MAXMAT)' WRITE(NOISE,*) 'total objects =',N, & ' (check against MAXOBJ)' WRITE (NOISE,*) 'details =',NDET, & ' (check against MAXDET)' WRITE (NOISE,*) 'shadow details =',MDET, & ' (check against MAXSDT)' WRITE(NOISE,*)'-------------------------------' * * * Sort objects, fill in "short lists" as indices into main list * (note that it would lend itself better to "parallel * processing" to form the short lists first and then * WRITE (NOISE,*) 'True center of input coordinates (not used):' XA = (TRULIM(1,1) + TRULIM(1,2)) / 2.0 YA = (TRULIM(2,1) + TRULIM(2,2)) / 2.0 ZA = (TRULIM(3,1) + TRULIM(3,2)) / 2.0 WRITE (NOISE,'(3F10.4)') XA, YA, ZA * call exit(0) end SUBROUTINE ASSERT (LOGIC, DAMMIT) LOGICAL LOGIC CHARACTER*(*) DAMMIT INTEGER ASSOUT LOGICAL VERBOSE COMMON /ASSCOM/ ASSOUT, VERBOSE SAVE /ASSCOM/ IF (LOGIC) RETURN WRITE (ASSOUT,*) 'ERROR >>>>>> ',DAMMIT C STOP 1234 CALL EXIT(-1) END SUBROUTINE TRANSF (X,Y,Z) * Input transformation COMMON /MATRICES/ XCENT, YCENT, SCALE, EYEPOS, SXCENT, SYCENT, & TMAT, TINV, TINVT, SROT, SRTINV, SRTINVT & ,RAFTER, TAFTER REAL XCENT, YCENT, SCALE, EYEPOS, SXCENT, SYCENT * Transformation matrix, inverse of transpose, and transposed inverse REAL TMAT(4,4), TINV(4,4), TINVT(4,4) * Shortest rotation from light source to +z axis REAL SROT(4,4), SRTINV(4,4), SRTINVT(4,4) * Post-hoc transformation on top of original TMAT REAL RAFTER(4,4), TAFTER(3) REAL X,Y,Z REAL G(4),H(4) H(1) = X*TMAT(1,1) + Y*TMAT(2,1) + Z*TMAT(3,1) + TMAT(4,1) H(2) = X*TMAT(1,2) + Y*TMAT(2,2) + Z*TMAT(3,2) + TMAT(4,2) H(3) = X*TMAT(1,3) + Y*TMAT(2,3) + Z*TMAT(3,3) + TMAT(4,3) H(4) = X*TMAT(1,4) + Y*TMAT(2,4) + Z*TMAT(3,4) + TMAT(4,4) * Apply post-hoc rotation and translation also G(1) = RAFTER(1,1)*H(1) + RAFTER(1,2)*H(2) + RAFTER(1,3)*H(3) & + TAFTER(1) G(2) = RAFTER(2,1)*H(1) + RAFTER(2,2)*H(2) + RAFTER(2,3)*H(3) & + TAFTER(2) G(3) = RAFTER(3,1)*H(1) + RAFTER(3,2)*H(2) + RAFTER(3,3)*H(3) & + TAFTER(3) CALL ASSERT (H(4).NE.0.,'infinite vector') X = G(1) / H(4) Y = G(2) / H(4) Z = G(3) / H(4) RETURN END SUBROUTINE CHKRGB( RED, GRN, BLU, MESSAGE ) REAL RED, GRN, BLU CHARACTER*(*) MESSAGE CALL ASSERT (RED.GE.0., MESSAGE) CALL ASSERT (GRN.GE.0., MESSAGE) CALL ASSERT (BLU.GE.0., MESSAGE) CALL ASSERT (RED.LE.1., MESSAGE) CALL ASSERT (GRN.LE.1., MESSAGE) CALL ASSERT (BLU.LE.1., MESSAGE) RETURN END subroutine liblookup( name, fullname ) c character*(*) name character*132 fullname character*132 R3DLIB c call getenv('R3D_LIB',R3DLIB) c fullname = ' ' len = len_trim(R3DLIB) if (len.eq.0) then fullname = name return else fullname(1:len) = R3DLIB(1:len) fullname(len+1:len+1) = '/' j = len+2 endif c len = 0 100 continue len = len + 1 if (name(len:len).ne.' ') goto 100 len = len - 1 c fullname(j:j+len-1) = name(1:len) len = j+len-1 c return end FUNCTION DET( A ) REAL DET, A(4,4) DET = A(1,1)*A(2,2)*A(3,3) + A(1,2)*A(2,3)*A(3,1) & + A(2,1)*A(3,2)*A(1,3) - A(1,1)*A(2,3)*A(3,2) & - A(3,3)*A(1,2)*A(2,1) - A(1,3)*A(2,2)*A(3,1) RETURN END Raster3D_3.0-2/./r3dtops.f0000644000471100047110000004705111503300713015064 0ustar merrittmerritt******************************************************************************* * Support routines for PostScript labels * ******************************************************************************* * Version 3.0 * * EAM Dec 1996 - Initial version (called labels3d, later changed) * EAM May 1999 - Updated to match V 2.4j as stand-alone program * EAM Nov 1999 - V2.5 called from render.f as part of normal processing * EAM Feb 2000 - iso-8859-1 encodings for Å * TeX-like syntax for greek, superscript, subscript * sub- and super- scripts use 0.8 * current font size * EAM Sep 2000 - tweak RED values in work-around for ImageMagick bug * EAM Jun 2001 - Tru64 f90 compiler barfs on '\\' as meaning a single \ * re-work pathway through ghostscript + ImageMagick 5.3.2 * EAM Apr 2006 - Tweak for gfortran compatibility * EAM Dec 2010 - Label support is moving to libgd, with default lflag = TRUE ******************************************************************************* * * These routines are called from render.f to handle object types 10, 11 and 12. * The PostScript file describes a canvas with the same dimension in pixels as * the image created by render. The PostScript canvas can be composited on top * of the rendered image to produce a labeled figure. * * Object types 10 and 11 are used for specifying labels. * Label object types are * - type 10: Font_Name size alignment * - type 11: XYZ RGB on first line * label (ascii characters enclosed in quotes) on second line * Object type 12 is reserved to go with this, as I have a nagging * suspicion more information may turn out to be necessary. * ******************************************************************************* SUBROUTINE LOPEN( FILENAME ) * IMPLICIT NONE REAL PSCALE REAL BKGND(3) CHARACTER*132 FILENAME CHARACTER*80 TITLE * INCLUDE 'VERSION.incl' * INTEGER I, J, LEN, IBEG INTEGER INPUT, INTYPE, KEEP LOGICAL MATCOL REAL RGBMAT(3) CHARACTER*1 BACKSLASH * * Input transformation COMMON /MATRICES/ XCENT, YCENT, SCALE, EYEPOS, SXCENT, SYCENT, & TMAT, TINV, TINVT, SROT, SRTINV, SRTINVT REAL XCENT, YCENT, SCALE, SXCENT, SYCENT * Transformation matrix, inverse, and transposed inverse REAL TMAT(4,4), TINV(4,4), TINVT(4,4) * Shortest rotation from light source to +z axis REAL SROT(4,4), SRTINV(4,4), SRTINVT(4,4) * Distance (in +z) of viewing eye REAL EYEPOS * EXTERNAL PERSP REAL PERSP, PFAC * COMMON /NICETIES/ TRULIM, ZLIM, FRONTCLIP, BACKCLIP & , ISOLATION REAL TRULIM(3,2), ZLIM(2), FRONTCLIP, BACKCLIP INTEGER ISOLATION * * Command line options COMMON /OPTIONS/ FONTSCALE, GAMMA, ZOOM, NSCHEME, SHADOWFLAG, XBG, & NAX, NAY, OTMODE, QUALITY, INVERT, LFLAG REAL FONTSCALE, GAMMA, ZOOM INTEGER NSCHEME, SHADOWFLAG, XBG INTEGER*4 NAX, NAY, OTMODE, QUALITY LOGICAL*2 INVERT, LFLAG * * Stuff for labels COMMON /LABELS/ LB INTEGER LB CHARACTER*80 FONTNAME, FONTALIGN CHARACTER*128 LABELSTRING INTEGER MAXLABLEN PARAMETER (MAXLABLEN = 128) CHARACTER*1 LTEX,TEXSTRING EXTERNAL LTEX INTEGER LEVEL REAL SSSIZE INTEGER IALIGN SAVE IALIGN INTEGER FONT, LABEL PARAMETER (FONT = 10, LABEL = 11) REAL XA, YA, ZA, RED, GRN, BLU REAL FONTSIZE SAVE FONTSIZE REAL PSSCALE SAVE PSSCALE * * Copy of NOISE for ASSERT to see COMMON /ASSCOM/ NOISE, VERBOSE INTEGER NOISE LOGICAL VERBOSE * * Initial entry * Open file for PostScript output * LEN = LEN_TRIM(FILENAME) OPEN( UNIT=LB, FILE=FILENAME(1:LEN), STATUS='UNKNOWN', ERR=99) WRITE (NOISE,*) 'Writing PostScript labels to file ', & FILENAME(1:LEN),' with scale',FONTSCALE RETURN 99 CONTINUE WRITE (NOISE,100) FILENAME(1:LEN) 100 FORMAT('>>> Cannot open ',A,' for writing labels') CALL EXIT(-1) * * Don't write PostScript header until we've read R3D header * ENTRY LSETUP( PSCALE, BKGND, TITLE ) PSSCALE = PSCALE * The libgd-based label code calls lsetup() regardless of LFLAG if (.NOT.LFLAG) RETURN * For some reason ImageMagick messes up image composition if the * background is pure white or pure black. * Work-around is to tweak the background. (Abandoned this idea for 2.6) COLD if (bkgnd(1).eq.1.0) bkgnd(1) = 0.9900 COLD if (bkgnd(1).eq.0.0) bkgnd(1) = 0.0001 RED = sqrt( bkgnd(1) ) GRN = sqrt( bkgnd(2) ) BLU = sqrt( bkgnd(3) ) * c c Write out PostScript prolog records c To be minimally-conforming, there should also be a c %%DocumentFonts: (atend) c record and record-keeping of all fonts used. c 6 FORMAT(A,1X,A) 600 FORMAT(A,1X,A,1X,A) 601 FORMAT(A,I6,A) 602 FORMAT(A,2I6,A) 603 FORMAT(A,F6.3,A) 604 FORMAT(3F6.3,A) 605 FORMAT('/',A,' findfont',F6.2,' FontScale setfont') 606 FORMAT('/CurrentFont /',A,' def /CurrentSize ',F6.2,' def ',A) 607 FORMAT((A)) WRITE(LB,600) '%!PS-Adobe-3.0 EPSF-3.0' WRITE(LB,600) '%%Creator: Raster3D',VERSION,'rendering program' WRITE(LB,600) '%%Title:',TITLE WRITE(LB,600) '%%Pages: 1' WRITE(LB,602) '%%BoundingBox: 0 0',nax,nay WRITE(LB,600) '%%DocumentFonts: (atend)' WRITE(LB,600) '%%EndComments' WRITE(LB,600) '%%BeginProlog' WRITE(LB,600) '% These are the only control parameters' WRITE(LB,603) '/FontSize ',FONTSCALE,' def' WRITE(LB,601) '/UnitHeight ',nay/2,' def' WRITE(LB,601) '/UnitWidth ',nax/2,' def' WRITE(LB,607) '% ', & '% This should be dynamic, but how???', & '/FontHeight 30 def', & '/FontWidth 30 def', & '% ', & '/FontScale { FontSize mul scalefont } bind def', & '/Center {', & ' dup stringwidth exch -2 div exch -2 div rmoveto', & ' } bind def', & '/Right {', & ' dup stringwidth exch -1 mul exch -1 mul rmoveto', & ' } bind def', & '/Skip { stringwidth 1.1 mul rmoveto } bind def', & '/ShrinkFont {', & ' CurrentFont findfont CurrentSize 0.8 mul FontScale setfont', & ' } bind def', & '/RestoreFont {', & ' CurrentFont findfont CurrentSize FontScale setfont', & ' } bind def', & '/XYZmove { pop moveto } bind def', & '/XYZrmove { pop rmoveto } bind def' WRITE(LB,607) '/SetBackground { ' WRITE (LB,604) RED,GRN,BLU,' setrgbcolor' WRITE(LB,607) ' } bind def' c c This is one way to do it c c WRITE(LB,607) c & '%', c & '% Add Angstrom sign to commonly used fonts', c & '% using iso-8859-1 encoding (Å = 197, 305 octal)', c & '%', c & '/reencsmalldict 12 dict def', c & '/ReEncodeSmall', c & ' { reencsmalldict begin', c & ' /newcodesandnames exch def ', c & ' /newfontname exch def', c & ' /basefontname exch def ', c & ' /basefontdict basefontname findfont def', c & ' /newfont basefontdict maxlength dict def', c & ' basefontdict', c & ' { exch dup /FID ne', c & ' { dup /Encoding eq', c & ' { exch dup length array copy newfont 3 1 roll put }', c & ' { exch newfont 3 1 roll put }', c & ' ifelse', c & ' }', c & ' { pop pop }', c & ' ifelse', c & ' } forall', c & ' newfont /FontName newfontname put', c & ' newcodesandnames aload pop', c & ' newcodesandnames length 2 idiv', c & ' { newfont /Encoding get 3 1 roll put }', c & ' repeat', c & ' newfontname newfont definefont pop', c & ' end', c & ' } def', c & '/symbvec [', c & ' 8#305 /Aring', c & ' ] def', c & '/AddSymbs { dup symbvec ReEncodeSmall } def', c & '/Times-Roman AddSymbs', c & '/Times-Bold AddSymbs', c & '/Times-Italic AddSymbs', c & '/Times-BoldItalic AddSymbs', c & '/Helvetica AddSymbs', c & '/Helvetica-Bold AddSymbs', c & '/Helvetica-Narrow AddSymbs', c & '/Helvetica-Narrow-Bold AddSymbs', c & '% End re-encoding' c c This is another way to do it c WRITE(LB,607) & '%', & '% Switch common fonts to iso-8859-1 encoding', & '%', & '/Latin1 {', & ' findfont dup length dict begin', & ' {1 index /FID ne {def} {pop pop} ifelse} forall', & ' /Encoding ISOLatin1Encoding def', & ' currentdict', & ' end', & '} def', & '/Times-Roman dup Latin1 definefont pop', & '/Times-Bold dup Latin1 definefont pop', & '/Times-Italic dup Latin1 definefont pop', & '/Times-BoldItalic dup Latin1 definefont pop', & '/Helvetica dup Latin1 definefont pop', & '/Helvetica-Bold dup Latin1 definefont pop', & '/Helvetica-Narrow dup Latin1 definefont pop', & '/Helvetica-Narrow-Bold dup Latin1 definefont pop', & '/Helvetica-Oblique dup Latin1 definefont pop', & '/Helvetica-BoldOblique dup Latin1 definefont pop', & '% End Re-encoding','%' c c WRITE(LB,600) '%%EndProlog' WRITE(LB,600) '%%BeginSetup' WRITE(LB,600) 'gsave' WRITE(LB,600) 'UnitWidth UnitHeight translate' WRITE(LB,600) 'SetBackground' WRITE(LB,600) & 'UnitWidth -1 mul dup UnitHeight -1 mul newpath moveto' WRITE(LB,600) & 'UnitWidth UnitHeight -1 mul lineto UnitWidth UnitHeight lineto' WRITE(LB,600) 'UnitHeight lineto closepath fill' WRITE(LB,606) 'Times-Bold',10.,'RestoreFont' WRITE(LB,600) '/LabelStart gstate def' WRITE(LB,600) '%%Endsetup' WRITE(LB,600) '%%Page: 1 1' RETURN ENTRY LINP( INPUT, INTYPE, MATCOL, RGBMAT ) c c Read in next object IF (INTYPE .EQ. FONT) THEN READ (INPUT,*,END=50) FONTNAME, FONTSIZE, FONTALIGN IF (FONTALIGN(1:1).EQ.'C') THEN IALIGN=1 ELSE IF (FONTALIGN(1:1).EQ.'R') THEN IALIGN=2 ELSE IF (FONTALIGN(1:1).EQ.'O') THEN IALIGN=3 ELSE IALIGN=0 ENDIF c c Here is where Perl would shine c len = len_trim(fontname) WRITE (LB,606) FONTNAME(1:len), FONTSIZE, 'RestoreFont' ELSE IF (INTYPE .EQ. LABEL ) THEN READ (INPUT,*,END=50) XA, YA, ZA, RED, GRN, BLU IF (MATCOL) THEN RED = RGBMAT(1) GRN = RGBMAT(2) BLU = RGBMAT(3) ENDIF c c Here is where Perl would shine c READ (INPUT,'(A)',END=50) LABELSTRING do j= MAXLABLEN,1,-1 len = j if (LABELSTRING(len:len).ne.' ') goto 702 enddo 702 continue c c Isolated objects not transformed by TMAT, but still subject to inversion. c Then again, PostScript y-axis convention is upside-down from screen coords. IF (ISOLATION.GT.0) THEN IF (.not.INVERT) YA = -YA if (isolation.eq.2) then if (xcent.gt.ycent) xa = xa * xcent / ycent if (xcent.lt.ycent) ya = ya * ycent / xcent endif ELSE c modify the input, as it were IF (IALIGN.NE.3) THEN CALL TRANSF (XA,YA,ZA, TMAT) YA = -YA ENDIF ENDIF c perspective IF (EYEPOS.GT.0) THEN PFAC = PERSP(ZA) ELSE PFAC = 1.0 ENDIF c XA = XA * PFAC * PSSCALE YA = YA * PFAC * PSSCALE ZA = ZA * PFAC * PSSCALE c IF (ZA * (SCALE/PSSCALE) .LT. BACKCLIP & .OR. ZA * (SCALE/PSSCALE) .GT. FRONTCLIP) RETURN c CALL CHKRGB( RED, GRN, BLU, 'invalid label color') RED = SQRT(RED) GRN = SQRT(GRN) BLU = SQRT(BLU) c IF (IALIGN.EQ.3) THEN WRITE (LB,802) RED,GRN,BLU,XA,YA,ZA ELSE WRITE (LB,801) RED,GRN,BLU,XA,YA,ZA ENDIF 801 FORMAT(3f6.3,' setrgbcolor',3(1x,f10.4),' XYZmove') 802 FORMAT(3f6.3,' setrgbcolor',3(1x,f10.4),' XYZrmove') c c At this point I should loop over string looking for c escape sequences, control characters, etc. c WRITE (LB,600) 'LabelStart currentgstate pop' LEVEL = 0 IBEG = 1 81 CONTINUE I = IBEG IF (I.GT.LEN) RETURN 82 CONTINUE c c 27-Feb-2000 c TeX-like escape sequence processing c Unfortunately this is not easily made compatible with anything other c that Left-Align. c Possibly these problems can be fixed by additional PostScript code? c backslash = '\\' if (labelstring(i:i) .eq. backslash) then j = i 83 j = j + 1 if (labelstring(j:j).ge.'A' .and. labelstring(j:j).le.'Z') & goto 83 if (labelstring(j:j).ge.'a' .and. labelstring(j:j).le.'z') & goto 83 if (j.gt.i+2 .and. j.le.len+1) then texstring = ltex( labelstring(i+1:j-1) ) if (texstring.eq.char(0)) goto 90 if (ibeg.lt.i) & write(LB,804) labelstring(ibeg:i-1),'show' sssize = FONTSIZE if (level.ne.0) sssize = sssize * 0.8 write(LB,605) 'Symbol',sssize write(LB,804) texstring,'show RestoreFont' if (level.ne.0) write(LB,600)'ShrinkFont' if (labelstring(j:j).eq.' ') j = j + 1 ibeg = j goto 81 endif endif if (labelstring(i:i) .eq. '_') then if (ibeg.lt.i) & write(LB,804) labelstring(ibeg:i-1),'show' write(LB,600) '0 FontHeight -0.3 mul rmoveto' write(LB,600) 'ShrinkFont' i = i + 1 if (labelstring(i:i) .eq. '{') then level = -1 ibeg = i + 1 goto 81 else if (labelstring(i:i).eq.backslash) labelstring(i:i)='^' write(LB,804) labelstring(i:i),'show' write(LB,600) 'RestoreFont' write(LB,600) '0 FontHeight 0.3 mul rmoveto' ibeg = i + 1 goto 81 endif endif if (labelstring(i:i) .eq. '^') then if (ibeg.lt.i) & write(LB,804) labelstring(ibeg:i-1),'show' write(LB,600) '0 FontHeight 0.3 mul rmoveto' write(LB,600) 'ShrinkFont' i = i + 1 if (labelstring(i:i) .eq. '{') then level = 1 ibeg = i + 1 goto 81 else if (labelstring(i:i).eq.backslash) labelstring(i:i)='^' write(LB,804) labelstring(i:i),'show' write(LB,600) 'RestoreFont' write(LB,600) '0 FontHeight -0.3 mul rmoveto' ibeg = i + 1 goto 81 endif endif if (labelstring(i:i) .eq. '}') then if (ibeg.lt.i) & write(LB,804) labelstring(ibeg:i-1),'show' write(LB,600) 'RestoreFont' write(LB,603) '0 FontHeight ',-0.3*level,' mul rmoveto' level = 0 ibeg = i + 1 goto 81 endif c c End of TeX-like escape processing c 90 CONTINUE IF ( LABELSTRING(I:I) .EQ.backslash & .AND. LABELSTRING(I+1:I+1).EQ.'n') THEN IF (IBEG.LT.I) THEN IF (IALIGN.EQ.1) THEN WRITE (LB,803) LABELSTRING(IBEG:I-1),'Center' ELSE IF (IALIGN.EQ.2) THEN WRITE (LB,803) LABELSTRING(IBEG:I-1),'Right' ELSE WRITE (LB,803) LABELSTRING(IBEG:I-1),' ' ENDIF ENDIF WRITE(LB,600) 'LabelStart setgstate', & '0 FontHeight -1 mul rmoveto', & 'LabelStart currentgstate pop' IBEG = I+2 GOTO 81 ENDIF IF ( LABELSTRING(I:I) .EQ.backslash & .AND. LABELSTRING(I+1:I+1).EQ.'v') THEN IF (IBEG.LT.I) THEN IF (IALIGN.EQ.1) THEN WRITE (LB,803) LABELSTRING(IBEG:I-1),'Center' ELSE IF (IALIGN.EQ.2) THEN WRITE (LB,803) LABELSTRING(IBEG:I-1),'Right' ELSE WRITE (LB,803) LABELSTRING(IBEG:I-1),' ' ENDIF ENDIF WRITE(LB,600) '0 FontHeight 0.5 mul rmoveto' IBEG = I+2 GOTO 81 ENDIF IF ( LABELSTRING(I:I) .EQ.backslash & .AND. LABELSTRING(I+1:I+1).EQ.'b') THEN IF (IBEG.LT.I) THEN IF (IALIGN.EQ.1) THEN WRITE (LB,803) LABELSTRING(IBEG:I-1),'Center' ELSE IF (IALIGN.EQ.2) THEN WRITE (LB,803) LABELSTRING(IBEG:I-1),'Right' ELSE WRITE (LB,803) LABELSTRING(IBEG:I-1),' ' ENDIF ENDIF WRITE(LB,600) 'FontWidth -0.5 mul 0 rmoveto' IBEG = I+2 GOTO 81 ENDIF IF ( LABELSTRING(I:I) .EQ.backslash & .AND. LABELSTRING(I+1:I+1).EQ.'A') THEN LABELSTRING(I+1:I+1) = CHAR(197) ENDIF I = I + 1 IF (I.LE.LEN) GOTO 82 c c End proposed escape interpretation loop c IF (IALIGN.EQ.1) THEN WRITE (LB,803) LABELSTRING(IBEG:LEN),'Center' ELSE IF (IALIGN.EQ.2) THEN WRITE (LB,803) LABELSTRING(IBEG:LEN),'Right' ELSE WRITE (LB,803) LABELSTRING(IBEG:LEN),' ' ENDIF 803 FORMAT('(',A,') ',A6,' show') 804 FORMAT('(',A,') ',A) ENDIF RETURN c c Error handling c 50 WRITE (NOISE,*) '>>> Unrecognized label command' RETURN c c All done, finish off PostScript file and report success c ENTRY LCLOSE( KEEP ) c c Make 100% sure that pixel[0,0] is background color so that c it can be used for auto-definition of matte WRITE (LB,600) '%Force pixel [0,0] to background color' WRITE (LB,600) 'SetBackground' WRITE (LB,600) 'newpath UnitWidth -1 mul UnitHeight moveto' WRITE (LB,600) '1 0 rlineto 0 -1 rlineto -1 0 rlineto', & 'closepath fill' c c Finish off PostScript output WRITE (LB,600) '%' WRITE (LB,600) 'showpage' WRITE (LB,600) '%%Trailer' WRITE (LB,600) '%%DocumentFonts: Times-Bold' WRITE (LB,600) '%%EOF' IF (KEEP.GT.0) THEN CLOSE (UNIT=LB) ELSE CLOSE (UNIT=LB,STATUS='DELETE') ENDIF * end C C Map TeX escape sequences to the corresponding character in the C standard PostScript SYmbol font. C Most greek letters map to their own first letter, so we don't C need to explicitly search for them. C We explicitly map \nu to distinguish it from \n = newline, C and \beta to distinguish it from \b = backspace. C function ltex( symbolstring ) character*1 ltex character*(*) symbolstring ltex = symbolstring(1:1) c if (ltex.eq.'b') ltex = char(0) if (ltex.eq.'n') ltex = char(0) if (ltex.eq.'v') ltex = char(0) c if (symbolstring.eq.'beta') then ltex = 'b' else if (symbolstring.eq.'eta') then ltex = 'h' else if (symbolstring.eq.'nu') then ltex = 'n' else if (symbolstring.eq.'theta') then ltex = 'q' else if (symbolstring.eq.'phi') then ltex = 'j' else if (symbolstring.eq.'psi') then ltex = 'y' else if (symbolstring.eq.'omega') then ltex = 'w' else if (symbolstring.eq.'Eta') then ltex = 'H' else if (symbolstring.eq.'Theta') then ltex = 'Q' else if (symbolstring.eq.'Phi') then ltex = 'F' else if (symbolstring.eq.'Psi') then ltex = 'Y' else if (symbolstring.eq.'Omega') then ltex = 'W' else if (symbolstring.eq.'infty') then ltex = char(165) C ltex = '¥' else if (symbolstring.eq.'nabla') then ltex = char(165) C ltex = 'Ñ' else if (symbolstring.eq.'ellipses') then ltex = char(188) C ltex = '¼' else if (symbolstring.eq.'partial') then ltex = char(182) C ltex = '¶' else if (symbolstring.eq.'degree') then ltex = char(176) C ltex = '°' else if (symbolstring.eq.'func') then ltex = char(166) C ltex = '¦' else if (symbolstring.eq.'sqrt') then ltex = char(214) C ltex = 'Ö' else if (symbolstring.eq.'aleph') then ltex = char(192) C ltex = 'À' endif return end Raster3D_3.0-2/./html/0000775000471100047110000000000011522570626014273 5ustar merrittmerrittRaster3D_3.0-2/./html/r3d_filters.html0000664000471100047110000000606611514154321017400 0ustar merrittmerritt Raster3D import filters

Raster3D import filters

grasp/ungrasp

Grasp (home page) is a molecular visualization tool that to the best of my knowledge is available only for SGI workstations and some older versions of Windows. Grasp itself does not produce Raster3D output, but the molecular surfaces calculated by grasp can be saved to a file and then converted to a Raster3D input description. The filter program that does this conversion is called "ungrasp", and is part of the Raster3D source distribution. The ungrasp source code and notes on using it are in the ./grasp/ subdirectory of the Raster3D source tree.

MSMS

MSMS (original home page) is another program that calculates molecular surfaces, and has a number of advantages over grasp. Although you may still be able to download MSMS itself, it has been replaced by a newer python-based tool PMV (home page). Two filter programs to convert MSMS output files into Raster3D input files are provided in the Raster3D source distribution. One is a perl script. The other is C source code. Both are in the ./examples/msms subdirectory of the source tree, and by default are installed permanently in /usr/local/share/Raster3D/examples/msms/.

A figure composed with MSMS and Raster3D The script that generated this figure
#!/bin/csh
#
# Calculate molecular surface of a pentasaccharide
#
ln -s ../sugarG.pdb protein.pdb
cat protein.pdb | pdb_to_xyzr > surf.dat
msms -if surf.dat -of surf -probe_radius 1.4 -density 5.0
#
# Convert msms output to Raster3D description of the surface
#
./msms2r3d.pl surf.face surf.vert > surf.r3d
#
# Make an auto-centered ball+stick view of the molecule
#
rastep -auto -rad 0.20 -prob 0.10 < protein.pdb > protein.r3d
#
# Combine the ball+stick figure with a transparent material 
# description from the Raster3D library 
# applied to the molecular surface generated in MSMS
# Save the combined picture as a PNG file
#
render -size 300x400 -zoom 85% -png picture.png << EOF
@protein.r3d
@translucent_60
@surf.r3d
EOF
#
rm -f protein.pdb msms_surf.dat.log
rm -f surf.dat surf.face surf.vert
rm -f surf.r3d protein.r3d

Back to top Raster3D homepage Raster3D_3.0-2/./html/r3dtops.html0000664000471100047110000000123511502003264016543 0ustar merrittmerritt r3dtops - Raster3D to PostScript label conversion

Raster3D to PostScript label conversion

SYNOPSIS

The r3dtops program is obsolete as of Raster3D version 3.0.

  • Use the -labels option of render instead.

    AUTHORS

    Ethan A Merritt.
    Back to top Raster3D homepage Raster3D_3.0-2/./html/r3d_example6.gif0000664000471100047110000001143311327673235017260 0ustar merrittmerrittGIF89a¢À÷ý=<<&AFIJOLKPRTWZX\^XB*D+F,F-G-K/H-H.L0N1O2O2Q3R3S4U5V6V6X7[9Y8\:^;_<K:-M<0]!!badb>d?f n""i!!p##r$$t%%w&&y&&}''((VG=WH>fAiBmEoFqGsHvJzM}OxKPP eQQfRReRRgTTjWWiVV}sl~tnƒ))€((‡++„**‰++Š++‹,,--Ž--’..•//–//—00š11™00œ11ž22¡33¢33£44§55¤44§88©55ª66¬66¯77¬::°77³99±88µ99¶::´>>¸::»;;¼;;¾<<»>>Q „S!†T!‰V"‹X#ŒX#Z#Z$‹\3‘[$’\$–^%ša&b'žd'Ÿd(¢f(¤g)¦i)¤h,©j*«l+­m+®n+¯n,ªl/«n2¯q6°o,³q,²p-µr-¶s-µr.·t.¹u.½w/¾w/¾x/³s3µv9»w3¿x0½y6ºz=¾{:½{<ŸWWžUUŸYY“gD’fC”hE¡[[ \\²@@¼AAÁ==Â>>Ç??Ä>>È??Â{1Áy0Æ}1Æ}2Æ~6Ã{3É2È6À{9ÇAAÁBBÊ@@ÍAAÎAAÎBBÍEEÍJJÍKKÒCCÑBBÒEEÕCC×DD×GGÑNNÖJJÓJJØFFØJJÓRR×\\ÚQQÛVVÚ^^Ü[[Þeeággâmmçuu¯ˆm¯‰nË€2Ì3΂3΂4Ê€6Ï„:̓<Ѓ4Ó…5Ò…6Õ†5Ö†6Ô†9׈6Ö‰=؈8ÔŠEÙŒCÖKÜ’NÖRÝ•Uß›câš]åŸfâŸhã jè¥pÿÿÿ½½½!ùþ,¢Àþý H° Áƒ*\È°¡Ã‡#JœH±¢Å‹3jÜȱ£Ç CŠI²¤É“(Sª\ɲ¥Ë—0cÊœI³¦Í›8sêÜÉS㱞@M JT$¢H=®IÊT#˜¦P-N‰JUâ‹ZU³6\@L«×„”}mJ¦«B9ÎÚŒmº K³ÛL“s ÊÚ¨ ¸àé:fZ îfuðÁÀ‚«:CÐÅ8‰e.&øÂâ°È1ü8@G3gΚcüðf˜šŽ30ƒ[ê`eèìôËÔ #tF7·l»”°Ù_7†È(›Mp©ð– 6€ËÐF›aÎfÏz}óê‰4Öþ SË}å‚;·W0åõ™âåKV†çxEÇÐÓ,~I xGQ þµtÀ0U-ñÀD'0øÒ³dÜCAHXZ—DL*ªlaF-×\˜Ð{hHR-[pÁ…µTsM3©Ôhã[¬AFBŽ¨È‘l cã[1Ì*H&¹ÊOTŠ9PkÈ1Ë-ÄÌ2ä–LÖ¢¤]T”"°…–[Þ¸…—CYÐ;dŽ´ÀšiÞØFmœÆST6оÄIÒ\ÔRg*"Dˆ }@ÎVB£3¦â\B˜0zÑ B´`Äq¥Bºhºi©e0È&œÑá@þžSN¦¦Z4.}#È 9¼Xr„@Öj+®Q$:ø&›kŸtÑ ¸`!ÒZ¤Ë˜ø²Î:€ªA?t[Ñ:à´;H!Œà‚CX[О0ªF€Òî¿î"«½í+è–»Ðèâ :ãÎë9W<È“'dÎ#¿Ì#Nœ@È‹FDH+(&ºTlñ'¤"”ï@'2Š>«8È£‘ŒÂ@ DÚ­.<ÈÌ \9mÂ}ôØÂk}ð¹zñó@›Ð*P˜]´»œ „qAH+´ÁÀP}Ð:DDvÂ'1ÄG)ÜÆœþØcâÈ:´HÚ1]®"ó„cÐ:}Tµ×-³àQ‡X)É& £Œ2ÒDãùƒ!”2v»â| ‡"žèqŸ€B5áÅ`Š<¡SˆãâàOiH3ÀŸŒ‡’«¼Ò¢f…à/À„bÈè(íOþÔ½A"âøb8EüÁ y¥Þ@wäNÐc ãO©Œ„jI¾"ÿ+°À²ÅX}€K;ì,É&'ÐC0!ŽpøB¸À$>‹÷e„È@ºˆ.˜¥È ðCpAžš@j¡ŒaÌo~õ«_‹ê°(B^ì œ@*° AØð†‚àáˆZþPiÀê@Ѐ@™"Ð1ŒYÈ¡ \ÀÑuN˜Â®b|a3Ì"ƒ?ôŸÀá ù0ŠlˆP‘ƒ€Tƒ(¤øZUH†ZȯŠIjÒC6€‚=(âë@‡ ÑAžEdHãfú¤;…dÀ#‡ïXÅ-taõ#^æ("€¸adkL™Âƒj³ „ëc+©Œ8ÄAj¬Ãˆ^‘h]„P!kFˆ …H”Q„8‚± eœP~u¸”A^†Z<È$ bŠsƒþ$¢øÚütAÈÀ†2`A9… €n %I¸•Y`)å<&q”£ þ˜Á.¢­“è1)²ðÎ@‚8Bž<Èð”Ä3)nÍAô°‰ð%„üŠ‰šÒ…,`à Šxă{ðä- Æ°@ )ÖCP¨“(WC4w'‹ñÉô!'àENjR ŒÁ.ICm*PˆŒ 8)*Op……Ta#àE>pŠš´a RÝÉeF€À…Û 2@˜|õ 7(€?v„”• “‚?ðà˜ ðáë€N°¸Êõ|a͉îê=Pb g@â³F`FØò¢çZ J²Ï ,v[AóÇx@PŽ€Œìún³Ñ‚p¥(`þDAq»£]àÆ@š*Püá·–Ø„'>·Ë®ð1Hg{‚q@,b)a0péÌâ2#|áŠîz׬`úà‡ª© ÙìE²q@"[ Þ` 3(÷õñ‰ï‚7¼fEdh°)d¹ÉJ‚# ·-H0`äØ„w `qèA!WÃîTD‹ÐU!kCð€žÔ Ä»k±?jA ¤„â( /|Q‹a4² Hä°†id1Ø>ðax˜£dÄr€Ì@UX)AåÐÆ"D™ù‚zà€lá rÀþ€ƒ.´á/¨ÃºñO’|bŒˆä PƒTæHþðaØ ù@ ±‰);¤7xÁ†X‹c\ƒu¸Ã[œå "¤FÈ ÒðàžI¿La 9È¢ ‚s„¶"8A¤G,À°ÁVÚblî¡QŸDê ’O„B«1B¬2e]äÃñE k&›";mÉÎ ÒÜvøbÖQq@,¢!›>œfÉ­ƒP[¯€ ÈÈBEÐÚ–Hb @P‚©úÍêU¯ÐšâµKh¬QÌ$7ÕceqSÕû%œê–ÂW²Cšªª]Éöþ4å PÐD¨¦ÚÄÆ[‚ SI"³ke ˜#ò“»0‚`† ;)ÂÌÙQ1‚×’s—Ð Þ ézÕ ô¢Á?ûí Rtƒ|ˆI‹,x C0v0t#Íp÷EᎠôº Ru\ÝÀ$ × ‚w°Xt°pͳ1‰a ‘ B­Š£ˆ”A„Ÿ$³\˜1à»ç$[ÈÂ@N)¡=s 'Fˆ—B€pÁ×ÀÀ²@ŒÏ4=!FØ:6Á{Nx‚]!B`0*ƒœ íþè‚&Á ÄÃà&Éò ¸ÙËèó-3Œ¸þá ±Øw!«WH•M€\AÔ(=C*L`ÁN°gL #³)j^Kta à·R8(Á?æ~²æGJ ‘jQ®~ìç=Px= €eSדGUÐ6@x&Ááx+XB° °8ƒPS±V³°JçÚ4†`.÷Djv ` è2` 1¸D_![Pä'› #(שgЂ)‘#PôÇg@@ VHC0QÖä ‰d¡öq@†'!… 1I {è0uÑ—Q þYw§§[ÄÀ‡61em°k]ŠXÊ&u µ@H/ô;Ј E=aËa uPU5’‡ 5ž #Y¡Š=±6¦AÀ21}0/ €\ ÉÅÔÅL¥r|kð [ ŒHq)¨p!w/Tã*þpÖ˜ Ófœ MUË @Qqu eTɱw9¡PC7Ÿ@…á 0 cp{:ᤥ·Àx1,á ˜ðyAsåÌÖH73 ¸U*VÒ@F+›€ ~€d' РLjjGþ­’ Yð8‰“ *5Fà…@‹Aä³ð’EhF1qà k•R•“V‰“°O`  Q”þ°HIÞ pqAvc·l¹UP p•9Y—B…à•¡ W€„Qcö@à~ІÙ@éÈOr™“70 q)—{èŽp;ÐV‘S]ãà 1ç`+0š,Pš,5€ ûðWZz˜/UÙ˜9©‘ù € ày]ÍAgà ³~9‘‹ š… P£Iš¦™k–p Qð'p+ã ´þ™“0vÚˆ°Á  ìF³£–1 ”l‰ð Ê9öyŸ°V°R@QðŸ@èp›ÙOÁ43 é)5x •±r€6! ©Ã”(€ù"NX#¥ˆ ¼gò€ПýùŸ,* x@ Vi ‰ q `Ö@caÂwüØE1`¨@ˆ‘7Š†¡Yp1Àˆ )ª¢þÙ¢èÐg° c×\Ú÷æ†@£ñ“QPp°#P7‘§'ùõÐw°A@¥UúŸÒæ0`“þiª-… |ðɦ*p~ íð‰XHÀŒ°§TÊ¢ÿ HJ©¡¾ÀA° ‘—{VJƒð Ç9A_ÄÒá@À§šzð™Ó3ˆ º W‡ ¥ §ê`ƒ“z/ø‡²J«šºyŠ@¢Ñ)›ø€ €?¬ññtº º€*­ŠõâðÎ  ±%€DЈ}«–°ª§AY¬±¨ |êŸ@‘‘­Á[þ‘¬±¬ À2°¢Õ©.{„«þ°rµˆJ`àû ëÃp6fd\«sw>qàm‘þôz²à6› …ð†¶ˆ/û±¸P›P }`°‚vñ&w² ‘I €!v¯ôŽ {²h‰àXûk€J刴!¦xX‹µMp¶MÐqð‘`*cP´W@3€¶x‹¶ÄÁ¶mË#𶢕›€¶j y›·p|Û·‘!p¸ce¸‡‹¶/l/P6°‘`ûƒq¹•»gЕÛʸ ‘ á‘{¸@ÃFkÐ¥  º  AuோºQ~pX¸«­¶Ðtp»Ç+€ë à¹Ï‹üþÊQ½A q8 ÏKº4 @½} ³Ð 冱sÀ^Ú{>c°¾à›'¶ ó‹¥vY0Uâü{bò»¿±sQ¥& š )0eÀA9U0 ‹+ÿt‡¼;~çZcp f LÐKéÑÁñ‹üDv¼`€À{…Â1}ာ½-Uª‰Ï‹ŠQPkÁ2ü”ƒ3àv¥[C<ΠG<¼] ã»Äa}`Y+ÄTL8Kj[Ì7üÅñÁb åXÆчÆÁ‹lüaüÆ QÁr¼#XÇxœÇz¼Ç|ÜÇ~üǀȂ\;Raster3D_3.0-2/./html/README0000664000471100047110000000277211327673235015166 0ustar merrittmerrittHTML documentation for Raster3D package Version 2.5 =================================================== Files avs2ps.html r3d_animation.html r3dtops.html rods.html balls.html r3d_examples.html rastep.html stereo3d.html label3d.html r3d_hints.html raster3d.html normal3d.html r3d_labels.html render.html pdb_anisou.html r3d_transparent.html ribbon.html These are hypertext versions of the PostScript documentation. I do not know of any truly general conventions for where to install them, but /usr/local/share/Raster3D/html is the default I use in Makefile.template. Files r3d_docbkg.jpg r3d_docstyle.css These are files to support a cascading-stylesheet format for the html documentation files. They should go in the same directory as the other files (I think, but it's possible you need to put them somewhere else on your web server). Files example1.jpeg example7.jpeg r3d_colorpicker.gif example2.jpeg example8.jpeg r3d_icon.gif example5.jpeg example9.jpeg rastep_options.gif example6.jpeg index_button.gif These are images refered to by the hypertext documenation. They need to go into the same directory as the html files. Files r3d_colorpicker.html rgbtext.html r3d_colors.html rgb_black.jpeg rgbmap_black.html rgb_white.jpeg rgbmap_white.html These files constitute an interactive HTML tool for selecting colors in Raster3D images. 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    Raster3D V3.0


    The Raster3D molecular graphics package consists of a core program render and a number of ancillary programs that read atomic coordinates from PDB (Protein Data Bank) files to produce scene descriptions for input to render. Raster3D can also render images composed using other programs such as Molscript, Xfit, and coot.
    Index  
    Programs in the Raster3D package Filters
    • Import molecular surface descriptions from Grasp or MSMS
    		Hints for composing pictures

    SYNOPSIS

    Raster3D uses a fast Z-buffer algorithm to produce high quality pixel images featuring one shadowing light source, additional non-shadowing light sources, specular highlighting, transparency, and Phong shaded surfaces. Output is in the form of a pixel image with 24 bits of color information per pixel plus one matte channel.

    Raster3D does not depend on graphics hardware. The rendering program currently supports output to files in AVS, JPEG, TIFF, PNG and SGI libimage format. To actually view or manipulate the images produced, you must also have installed an image viewing package (e.g. John Cristy's ImageMagick or the SGI libimage utilities). The Raster3D rendering program can be integrated with ImageMagick to expand the flexibility of output formats and interactive use.

    Ancillary programs are provided for the generation of object descriptions based on atomic coordinates stored in PDB format. Although Raster3D is not intended as a general purpose ray-tracing package, nothing in the rendering process is specific to molecular graphics. Some of the algorithms used have been chosen for speed rather than generality, however. They work well for molecular graphics images, but possibly would produce odd results if used for very different types of image.

    Raster3D currently supports rendering six object types: spheres, triangles, planes, smooth-ended cylinders, round-ended cylinders, and quadric surfaces. It also supports the definition of material properties (transparency, bounding planes, color, reflectivity) that apply to groups of objects within the rendered scene.

    New in version 3.0: Dynamic array allocation, direct rendering of labels.

    EXAMPLES

    Using only programs included in the Raster3D distribution one can create and render space-filling models, ball-and-stick models, ribbon models, and figures composed of any combination of these. The following set of commands would produce a composite figure of an Fe-containing metalloprotein with a smoothly shaded ribbon representation of the protein and spheres drawn for the Fe atoms: 
    # 
# Draw smooth ribbon with default color scheme 2, 
# save description (with header records) in ribbon.r3d 
# 
cat protein.pdb | ribbon -d2 > ribbon.r3d
# 
# Extract Fe atoms only, and draw as spheres. 
# Color info is taken from colorfile. 
# Save description (with no header records) in irons.r3d 
# 
grep ``FE'' protein.pdb | cat colorfile - | balls -h > irons.r3d 
# 
# combine the two descriptions and render as AVS image file 
# 
cat ribbon.r3d irons.r3d | render > picture.x
    One can alternatively use Molscript to produce a Raster3D input file by using the -r switch. Integrated use of Molscript/Raster3D/ImageMagick allows one to describe, render, and view 3D representations of existing Molscript figures. 
    molscript -r < infile.dat | render | display png:-
    A similar example using xv as an image viewer, and assuming that TIFF support has been built into the render program: 
    molscript -r < infile.dat | render -tiff image.tif 
xv image.tif
    The same image rendered as a side-by-side stereo pair: 
    molscript -r < infile.dat | stereo3d -border -png stereo_pair.png
    The Raster3D distribution also includes a filter utility which will convert the 24-bit color AVS output stream from render into a dithered black & white PostScript image: 
    render -avs < description.r3d | avs2ps > picture.ps

    SOURCE

    via WWW:
    http://www.bmsc.washington.edu/raster3d/raster3d.html
    contact:
    Ethan A Merritt
    Biomolecular Structure Center
    University of Washington
    merritt@u.washington.edu

    RELATED PROGRAMS

    Required for full installation:
    libgd
    Generation of PNG and JPEG images, as well as label processing, requires prior installation of the gd graphics library. libgd itself requires other libraries, but if you have libd itself installed then you should be all set.
    TIFF
    In order to build in support for the direct output of TIFF image files, you must separately obtain and install a copy of the TIFF library (libtiff). However, you can only render text labels for PNG or JPEG output, so you may be better off generating PNG images and then converting them to TIFF afterward.
    ImageMagick
    For full functionality you should also obtain and install a copy of ImageMagick
    Some other programs with direct Raster3D output modes:
    Coot
    The contents of the current view window in a Coot session may be rendered in Raster3D using the <F8> hotkey. More complicated scripting from Coot is also possible. Coot web page: http://www.biop.ox.ac.uk/coot/
    Molscript
    Figures composed in Molscript can be rendered in Raster3D rather than being printed as PostScript images. The Molscript web page is http://www.avatar.se/molscript.
    ORTEP and the small molecule world
    ORTEX V7 (an interactive descendent of Carroll Johnson's ORTEP program) now supports Raster3D as an output mode. ORTEX runs under DOS/Windows, and is available from http://www.nuigalway.ie/cryst/ortex.html. Another small molecule package running under Windows and incorporating Raster3D rendering options is WinGX, available from http://www.chem.gla.ac.uk/~louis/software.
    VMD
    Biomolecular visualization tool from the Theoretical Biophysics group at the University of Illinois, http://www.ks.uiuc.edu/Research/vmd/
    X3DNA
    Figure generation and analysis tool for RNA and DNA structures. X3DNA Web site: http://rutchem.rutgers.edu/~xiangjun/3DNA/.
    Xfit/XtalView
    General crystallographic model building, map fitting, and analysis program by Duncan McRee, available in both academic and commercial versions, http://www.sdsc.edu/CCMS/Packages/XTALVIEW/

    AUTHORS

    Originally written by David J. Bacon and Wayne F. Anderson. Ancillary programs by Mark Israel, Stephen Samuel, Michael Murphy, Albert Berghuis, and Ethan A Merritt. Extensions, revisions, and modifications by Ethan A Merritt.

    CITING THE PROGRAM

    If you use the package to prepare figures for publication, please give proper credit to the authors; the proper citation for the most recent version of the package is Merritt & Bacon (1997) as given below.

    REFERENCES

    Bacon, D.J., & Anderson, W.F. (1988) ``A Fast Algorithm for Rendering Space-Filling Molecule Pictures''. (abstract of paper presented at the Seventh Annual Meeting of the Molecular Graphics Society). J. Molec. Graphics 6, 219-220.
    Kraulis, P.J. (1991) ``MOLSCRIPT: a program to produce both detailed and schematic plots of protein structures''. J. Appl. Cryst. 24, 946-950.
    Merritt, E.A. & Murphy, M.E.P. (1994) ``Raster3D Version 2.0 - A Program for Photorealistic Molecular Graphics''. Acta Cryst. D50, 869-873.
    Merritt, E.A. & Bacon, D.J. (1997) ``Raster3D Photorealistic Molecular Graphics''. Methods in Enzymology 277, 505-524.
    Back to top Raster3D homepage Raster3D_3.0-2/./html/r3d_transparent.html0000664000471100047110000001175611502541520020271 0ustar merrittmerritt Transparent surfaces in Raster3D

    Transparent surfaces in Raster3D

    Transparency

    MATERIAL descriptions (object type 8) now include a parameter related to transparency. Material descriptions apply to subsequent objects in the render input file until an termination record (object type 9) is encountered. This means that an entire surface representation, for instance one generated by the program GRASP, can be rendered as transparent by inserting one record in front of it and another at the end. This is illustrated in example 6 of the Raster3D distribution kit.

    Nothing is free, of course, and this includes transparency. I tried very hard to leave normal bread-and-butter operation of the rendering program unaffected by support for transparency. If you are actually rendering an image which contains transparent objects, however, the program may slow down by as much as a factor of 3. If your machine seems to do much worse than this, you can try the fix described at the end of this section.

    Here is an example of a MATERIAL description which specifies a transparent surface: 

        8
    17.0    0.6     -1.0 -1.0 -1.0     0.9        0 0 0 0

    ^       ^       ^    ^    ^        ^          ^
    |       |       |    |    |        |          |
    MPHONG  MSPEC   SR   SG   SB       CLRITY     OPTS
    The first record specifies a MATERIAL description (object type 8). The following record contains a set of parameters which apply to this material.
    MPHONG
    overrides the global Phong parameter in the header; a lower value (<20.) smears out specular highlights over a larger area, which is probably a good idea for transparent surfaces.
    MSPEC
    overrides the global SPECLR parameter in the header; controls what fraction of the total shading is due to specular reflection. This probably should be >0.5 for a transparent object.
    SR/SG/SB
    red, green, and blue components of the specular highlights. Remember that each object has an associated RGB triple that determines its colour. But the "colour" of a transparent object is somewhat problematic, so you have the option of passing the object's basic colour through to appear also in the specular highlighting. This is indicated by setting SR, SG, SB negative as in the example above.
    CLRITY
    This is a value between 0.0 and 1.0 indicating the degree of clarity of the material. 0 indicates a completely opaque surface, while 1 indicates a completely transparent surface. Values in the range of 0.8 to 1.0 are probably appropriate.
    OPTS
    These four parameters are reserved for future expansion of the MATERIAL specification. OPTS[1] controls how overlapping transparent objects are treated.
    OPTS[1] = 0
    All transparent objects will be rendered, subject to the limit that at a depth of three overlapping transparent objects the third is effectively opaque
    OPTS[1] = 1
    Only the topmost surface of any given transparent material will be rendered at all. This will, for example, cause internal cavities to disappear from a molecular surface covering an entire protein. It also allows rendering only the outside surface of a transparent CPK model.
    OPTS[1] = 2
    The rear-facing portions of transparent spheres, cylinders, and tesselated surfaces will be rendered (normally only the front surfaces are rendered).
    OPTS[2] controls which algorithm is used to vary transparency as a function of alpha (=CLRITY) and the Z component of the surface normal. OPTS[2] = 2 is theoretically more correct, but in my opinion comes out looking less transparent than it should. OPTS[2] = 0 is an empirical function that looks better to me.
    OPTS[2] = 0
    T(ZN) = 0.25 * (1 + cos(pi*alpha*ZN))^2
    OPTS[2] = 1
    T(ZN) = (1 - abs(alpha*ZN))^2
    OPTS[2] = 2
    T(ZN) = 1 - alpha ^ (sqrt(pi/4) / abs(ZN))
    OPTS[2] = 3
    T(ZN) = 1 - alpha
    Back to top Raster3D homepage
    Ethan A Merritt / merritt@u.washington.edu / Biomolecular Structure Center at UW
    Raster3D_3.0-2/./html/normal3d.html0000664000471100047110000000503511502003737016673 0ustar merrittmerritt normal3d - Raster3D package

    NORMAL3D

    SYNOPSIS

    normal3d reads a Raster3D input file from stdin, applies any coordinate manipulations specified in the header, and writes the modified file to stdout. 
    normal3d [options] < infile.r3d > normalized.r3d
    The output file from normal3d describes exactly the same image as the original input file. Header records are left unchanged except for the transformation matrix (which becomes the identity matrix) and the format specifiers (which are set to *).

    OPTIONS

    -ang AA
    Only meaningful in conjunction with the -stereo option. Normally stereo separation is introduced by adding a shear operator to the left and right images. The -ang option instead creates stereo separation by rotation the left and right images +/-AA° from the original view angle.
    -expand
    The -expand flag causes the program to In-line and normalize all instances of file indirection in the input stream. This results in a single render input file containing no file indirection. The default is to simply copy file indirection lines (those begining with @) to the new input file without opening them or normalizing their contents.
    -h
    The -h flag suppresses all header records in the output file. All objects in the input file are also in the output file, but their coordinate descriptions have been normalized (i.e. the original transformation matrix has been applied).
    -size HHHxVVV
    Force the output image size to HHH pixels horizontal and VVV pixels vertical.
    -stereo [scratch]
    The -stereo flag causes the program to produce two additional files, left.r3d and right.r3d, containing header records suitable for rendering the normalized object description file as a side-by-side stereo pair (see stereo3d). If a scratch directory string is given, it is prepended to the filenames {scratch}_left.r3d and {scratch}_right.r3d

    AUTHORS

    Ethan A Merritt.
    Back to top Raster3D homepage Raster3D_3.0-2/./html/r3d_example8.jpeg0000664000471100047110000006114111327673235017443 0ustar merrittmerrittÿØÿàJFIFÿþ) Imported from TIFF image: stereo.tiffÿÛC    $.' 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    Suggestions for better pictures

    Topics covered

    Shadowing

    The primary purpose of shadowing is to convey a feeling of depth in the rendered image. This can be particularly effective when there are a relatively small number of elements in the scene, or when there is a grouping of foreground objects which cast shadows onto a separate grouping of background objects. However if there are a large number of elements in the scene, e.g. a ribbon and arrow representation of a large molecular assembly, the use of shadows may actually complicate the visual impact and make the image less satisfactory. In this case you may wish to try rendering the image both with and without shadows, or you might experiment with the location of the primary light source (the SOURCE parameter in the 12th header record input to render). Finally, you can de-emphasize the shadows by increasing the secondary (straight-on) light source contribution parameter STRAIT.

    Tailoring your image to the output device

    The quality of pictures generated by Raster3D is ultimately limited by the output device. Although you will probably compose and preview your figures on a workstation screen, you will probably want to re-render the final version with a larger number of pixels before sending it to a film recorder or high performance color printer. For example, a typical film recorder can produce slides with a resolution of roughly 4000x3000 pixels (much larger than can be displayed on a workstation screen). The number of pixels in your rendered image is controlled by the parameters (NTX,NTY) and (NPX,NPY) in the 2nd and 3rd header records input to the render program, or by the -size command line option to render. If you need to convert your image to PostScript so that you can send it to a PostScript printer (the only time you should ever convert to PostScript!) then read the section on PostScript conversion below. You should also be aware that color balance and particularly the appropriate ``gamma correction'' varies from one device to another. The Raster3D render program can apply a gamma correction or you can apply one afterwards to the generated image files using a general purpose image processing program (e.g. the ImageMagick "mogrify" command). If you will be using a particular output device regularly, it is worth an initial round of experimentation to determine the best gamma value for future runs. The appropriate gamma correction can then be applied to each rendered picture before sending it for printing.

    Making your pictures modular

    So long as you stick to a consistent coordinate system, you can build up a complex Raster3D scene from bits and pieces created by various different tools and programs. For example, you could create a scene that is defined by a viewpoint selected interactively in Xfit, and that contains a protein molecule drawn by Molscript, a molecular surface drawn by GRASP, and a "floor" or bounding box from the Raster3D library of pre-described objects. This scene can conveniently be described to the render program by using file indirection in the input stream, which might look something like this: 

    	#
	# Header records written from inside Xfit
	@viewpoint.r3d
	#
	# Molscript V2.0 output file
	@secondary-structure.r3d
	#
	# Make the molecular surface (from GRASP via ungrasp)
	# transparent by using a material definition
	# from the Raster3D library $R3D_LIB 
	@transparent.r3d
	@surface.r3d
	@end_material.r3d
	#
	# Add a few extra goodies
	@red.r3d
	@floor.r3d
    This makes it very easy to experiment with your composition without having to edit huge input files. You could, for example, change the color of the floor by substituting the library file blue.r3d for the file red.r3d. Or you could render the same scene from a different viewpoint by changing the view matrix in viewpoint.r3d. Even better, you could select from a number of pre-defined views described by header records in files view1.r3d, view2.r3d, view2.r3d, and so on just by making viewpoint.r3d be a symbolic link to the particular view you want to render. That way you needn't edit any input files at all to shift the scene. This approach is particularly useful for producing animation.

    Side-by-side figures and stereo pairs

    The EYEPOS parameter input to the render program specifies a viewing distance for the resulting image. You may think of this as equivalent to the distance between a camera and the object being photographed. EYEPOS = 4 means that the distance from the camera to the center of the object is four times the width of the field of view. Generally the sense of depth conveyed by the rendered image is slightly increased by positioning the virtual camera reasonably close to the object. However, if you are composing a figure containing two or more similar objects which are next to each other, e.g. a comparison of two variants of the same protein structure, then the resulting parallax may be more of a hindrance than a help. Since the virtual camera is centered, it will ``see'' the right hand object slightly from the left, and the left hand object slightly from the right. This results in different effective viewpoints for paired objects which would otherwise be identical. To overcome this effect you may wish to set EYEPOS to 0.0, which disables all perspective and parallax. The same considerations apply for the production of stereo pairs.

    Stereo pairs and Molscript

    All Raster3D objects emitted by a Molscript run are placed into a single scene description. That is, the pairs of ``plot'' and ``end plot'' statements in a Molscript input file have no effect in Raster3D mode. Therefore a Molscript file which describes a stereo pair as two separate plots will not work correctly when fed through to render. You should instead use Molscript to produce a single [mono] scene description for Raster3D, and run it through the stereo3d script to produce a stereo pair. Here is an example: 

    #
# Use molscript to generate a Raster3D input file
#
molscript -r < image.mol > image.r3d
#
# Render image once to check that it's what we want
#
render -tiff mono.tiff < image.r3d
#
# Render it again, this time as a stereo pair
#
stereo3d -tiff stereo.tiff < image.r3d

    Clipping planes

    A clipping plane restricts the contents of the rendered image based on the Z coordinate of individual objects. There is both a front clipping plane and a rear clipping plane. Objects closer to the viewer than the front plane are not rendered, and objects further from the viewer than the rear plane are not rendered. The Z-coordinate of the clipping plane must specified in the same units as coordinates of your input objects, so if you are working in PDB coordinates you should specify the clipping planes in Ångstroms. Raster3D allows two different methods of setting clipping planes with slightly different effects. Clipping planes specified as a global property apply to all objects in the image. An object is discarded on input if all of its vertices lie outside the clipping plane; a clipped object is entirely omitted, an unclipped object is entirely rendered even if part of it extends beyond the clipping plane. An example of specifying global clipping planes is given below: 

    # set global clipping planes
16
FRONTCLIP 2.
16
BACKCLIP 10.
    The other option is to assign clipping planes as part of defining a set of special material properties. In this case the clipping planes are applied only to objects within the begin/end scope of the special material. In this case the clipping is done on a pixel-by-pixel basis, which means that individual objects may be rendered in part only. The portion of the object that extends beyond the clipping plane is omitted from the rendered image. An example of a material specification that includes a front clipping plane is given below: 
    # Opaque material with specular properties inherited from header
# Extra record present to specify clipping plane
8
-1.0 -1.0  1.0 1.0 1.0   0.0   0 0 0 1
FRONTCLIP 2.

    Bounding planes

    Bounding planes are a more general case of Z-clipping planes. They differ from Z-clipping planes as follows:

    • A bounding plane is specified by giving the coordinates of some point in the plane and the normal to the plane. The front Z-clipping plane is effectively a bounding plane defined by some point with Z coordinate FRONTCLIP and whose normal is given by [0,0,1].
    • Bounding planes rotate, translate, and scale with the bounded objects. Z-clipping planes do not.
    • Bounding planes are specified as part of a special material definition, and apply only to objects within that material.
    • When an object is intersected by a Z-clipping plane, the clipped portion of the object is not rendered at all. The default treatment of a bounding plane, however, is to truncate the object by rendering a flat bounding surface. Therefore if an opaque object or surface is Z-clipped, you will be able to see into the interior of the object. On the other hand, if an opaque object or surface is cut by a bounding plane, you will see the flat surface resulting from this `slice'.

    The current implementation allows two slightly different variations in how multiple bounding planes interact with each other. One variant is used to draw ortep-like thermal ellipsoids in which one octant is cut away. In this case a given volume is excluded from rendering only if it is `above' all bounding planes associated with its material definition; exclusion requires a logical AND of three bounding planes. Here is the specification for one such ortep-like ellipsoid. Note that all three bounding planes pass through the center of the ellipsoid, and a single color specification is given for all three bounding surfaces (-fancy6 option to rastep). If no BOUNDING_COLOR is specified, then the exposed surface is rendered using the base color of the materiall; if you like, you can specify a new BOUNDING_COLOR for each plane. 

    # Thermal ellipsoids from Rastep Version V2.6d   
# Probability level 0.50
 8
 -1.0 -1.0  -1.0 -1.0 -1.0  0.0  0 0 0 5
ORTEP_LIKE
BOUNDING_COLOR  0.500 0.500 0.500
BOUNDING_PLANE  0   24.274 47.792 19.835   0.8259  0.5467  0.1376
BOUNDING_PLANE  0   24.274 47.792 19.835  -0.4475  0.7843 -0.4297
BOUNDING_PLANE  0   24.274 47.792 19.835  -0.3428  0.2934  0.8924
14
  24.274  47.792 19.835     0.893   0.7 0.7 0.7
      8.6581 6.0432 5.0725 2.9042 0.8405 0.3715 0.0 0.0 0.0 -2.3661

    In the absence of the ORTEP_LIKE restriction, multiple bounding planes are combined using a logical OR. A given volume is exluded from rendering if it is clipped by one or more of the associated bounding planes. This could be used, for example, to render a central slice from an extended structure or a single wedge from a sphere.

    Creating your own colour descriptions

    The Raster3D distribution contains a number of pre-defined colouring schemes (e.g. the shapely.colours file, cpk.colours, and mycolors.pdb). If you choose to modify these, or create your own, then you should be aware that render works internally with the square root of the specified colour values (yes it's a very strange concept!). To convert a normal RGB colour triple into a Raster3D color specification it is therefore necessary to square each component. For example, to specify a half-intensity yellow you would square the components of the pure RGB triplet (0.5, 0.5, 0.0) to yield (0.25, 0.25, 0.0) in the COLOUR record input to render. The Raster3D output option to Molscript performs this conversion automatically, so you should not have to alter the colour specifications to switch between PostScript and Raster3D modes. The HTML tool r3d_colorpicker provides an interactive colour previewer.

    Composing figures in other programs

    Suppose you are already working in some interactive graphics program, and want to reproduce the current viewpoint/orientation for a Raster3D picture. If the program will dump the current view matrix then you will probably be able to use it as a view matrix for Raster3D also. However many programs (including Molscript) dump a matrix which is the transpose of the matrix used by Raster3D.

    Users of Alwyn Jones' program O should obtain a copy of the program o2mol from the O ftp site. Once you have composed your view in O you can convert to a Molscript/Raster3D viewpoint description by dumping the O datablock named .GS_REAL 

    O> write_form .gs_real omatrix.dat
Heap> Format: <cr>
    followed by a shell command 
    o2mol < omatrix.dat > o2mol.out
    The file o2mol.out will now contain instructions for reproducing the O viewpoint in Molscript. Also, the 3x3 matrix which o2mol gives as ``for coordinate transforms'' is in the correct form to use directly as a Raster3D matrix if you aren't processing with Molscript first.

    Coot (home page) can create Raster3D input files or images directly from the current screen view.

    Duncan McRee's XtalView program ( http://www.sdsc.edu/CCMS/Packages/XTALVIEW/) is another crystalloghic modeling tool that can create Raster3D input files or images directly from the current screen view, including atoms, bonds, view objects, electron density, etc. Many Raster3D rendering options can be varied using control widgets in the Xfit pop-up plotting menus. Xfit can also be used simply to create a set of Raster3D header records describing the current view.

    Another interactive tool you might be interested in is the VMD program from the Theoretical Biophysics group at the University of Illinois. VMD provides a wide variety of methods for interactively rendering and coloring a molecule, and can generate a Raster3D input file which will very nearly duplicate the view composed on your workstation screen. A more complete description of VMD is available via the VMD WWW home page.

    Coordinate systems:

    When Molscript runs it normalizes the coordinates of objects in the figure so that they are described by an identity transformation matrix. The 3x3 matrix printed out by Molscript to the terminal is the transpose of that needed by Raster3D programs. Swap the entries about the diagonal from upper left to lower right before copying it into the TMAT header records for render or normal3d.

    To normalize other Raster3D input files describing objects still in the original PDB coordinate space (so that they can be merged with your Molscript output), replace the four TMAT records in the header with a new matrix built as below and then feed the resulting file through normal3d.

    TMAT (4x4 matrix) in Raster3D header
    Transpose of 3x3 Molscript matrix
    a11 a12 a13 0.
    a21 a22 a23 0.
    a31 a32 a33 0.
    Translation components Scale
    T1 T2 T3 S
    NB: The value of S (scaling) comes from the "window" parameter in Molscript. The column values above it are always zero.

    How can I keep the Molscript labels in my Raster3D picture?

    This used to be a pain to do. Now there is an easy answer: get Molscript version 2. The old, laborious, procedure may still be informative as an example of mixing PostScript and Raster3D, however. Here is a summary of how to do it if you really want to.

    Black & White figures

    It is possible to use a general image processing program (e.g. ImageMagick) to convert a color figure to a monochrome figure. In general a straight conversion will produce an image which is much too dark. In order to improve the result you can try breaking the conversion up into several steps: first convert from full 24-bit color to a smaller number of colors (say 256), next apply a substantial gamma correction (e.g. gamma    2.0) to lighten the image, and finally convert the color image to monochrome being sure to select a dithering option if it is available. Some experimentation with this process can produce acceptable, although not ideal, monochrome images suitable for printing on a standard laser printer. You may have to repeat the color reduction and gamma correction steps before finally converting to monochrome. Better results can be obtained by using the auxiliary program avs2ps as a filter. This utility will convert any AVS-format image, including the default output stream from render, directly into a dithered black & white PostScript image. As of this writing the avs2ps program is included with the Raster3D distribution.

    Conversion to PostScript

    Do not convert your raster image to PostScript unless you really, really have to. This should only happen if you want to send the image to a printer that understands nothing but PostScript. The raster image consists of a certain number of pixels on X and on Y, and the size of each dot depends entirely on the physical resolution of the device the image is displayed on. To produce a Raster3D figure of a given size on a PostScript printer, you must know the physical resolution of the printer. A true PostScript figure would be scalable and device-independent; this will not be true for a raster image forced into a PostScript file. Here are the required steps:

    1. Calculate the required number of pixels in your Raster3D image. For example, if you want to end up with a figure that is 4" by 3" when printed on a 300 dpi (dots-per-inch) PostScript printer, then your raster image must be 1200x900 pixels. Render it using the command render -size 1200x900 to force it to be this exact size.
    2. Confirm that the rendered image is the correct size. The ImageMagick utility identify will do this for you.
    3. Convert the rendered image to a PostScript file using the ImageMagick convert utility. You must explicitly specify
      • the physical resolution of the printer (e.g. -density 300)
      • the input image size
      • the PostScript "page" size (exactly equal to the image size)
      • an offset to the page size if you don't want the image to appear at the extreme lower left of the printed page (+50+50 in the example below).
      Here is a suitable command for this example: 
          convert -density 300 -geometry 1200x900 -page 1200x900+50+50 image.tiff image.ps
    4. Send the converted image to your PostScript printer. If it does not come out the size you expected, then probably the printer has a different resolution than you thought. You will have to go back to the beginning and try again.

    Back to top Raster3D homepage
    Ethan A Merritt / merritt@u.washington.edu / Biomolecular Structure Center at UW
    Raster3D_3.0-2/./html/avs2ps.html0000664000471100047110000000474211327673235016411 0ustar merrittmerritt avs2ps - Raster3D package

    AVS2PS

    SYNOPSIS

    avs2ps is distributed as part of the Raster3D molecular graphics package.
    avs2ps converts an AVS image input on stdin to monochrome PostScript on stdout. 
    avs2ps [-b] [-dpi xxx] < infile.avs > outfile.ps
    avs2ps converts a 24-bit color image file in AVS format into a dithered monochrome PostScript image with the same number of pixels as the input file. avs2ps may be used as a filter for the output of the render program to produce a PostScript file directly. The code is machine independent, and does not impose restrictions on the tile size in the original image. It supersedes less general programs in the viewtools package.

    avs2ps converts the input stream to a greyscale image and then applies an empirical algorithm for contrast enhancement, dithering, and error diffusion to produce a monochrome output image. The basic approach is a variant of Floyd-Steinberg error diffusion.

    EXAMPLES

    Produce an unbordered black & white image suitable for printing on a 300 dpi PostScript printer: 
     render < description.r3d | avs2ps > image.ps
    Add a border, and prepare image for a 400 dpi printer: 
     render < description.r3d | avs2ps -b -dpi 400 > image.ps

    OPTIONS

    -b
    Draw a border around the figure. By default avs2ps will produce a borderless image 0.5 inch in from the bottom left of the page.
    -dpi xxx
    By default avs2ps writes header records into the PostScript output file which are correct for a 300 dpi printer (e.g. an HP Laserjet IIIsi). If there is a mis-match between the header records and the actual resolution of the printer the image quality is substantially degraded. This option allows one to specify a different printer resolution (e.g. -dpi 400 for a Next printer, or -dpi 95 for Display PostScript on a 19'' 1280x1024 workstation screen).

    AUTHORS

    Ethan A Merritt. Dithering algorithm derived from code by Randy Read and Albert Berghuis.
    Back to top Raster3D homepage Raster3D_3.0-2/./html/ribbon.html0000644000471100047110000001016711503257734016440 0ustar merrittmerritt ribbon - Raster3D package

    RIBBON

    SYNOPSIS

    ribbon is a preprocessor which prepares a simple ribbon representation of a protein backbone for the Raster3D molecular graphics package.

    ribbon [-h] [-d[0123456]] pdbfile
    or (to take PDB records from stdin) 
    ribbon [-h] -d[0123456] -
    Ribbon reads a PDB coordinate file and produces a stream of Raster3D object descriptor records on stdout describing a ribbon constructed from a triangular mesh. The file produced by ribbon may be fed directly to render or it may be combined with descriptor files produced by other Raster3D utilities.

    EXAMPLES

    To describe a the entire protein chain as a single ribbon colored smoothly from blue at the N-terminus to red at the C-terminus: 
    ribbon -d2 protein.pdb | render > chain_picture.png
    To color a multi-chain protein with specified colors for each chain: 
    cat chaincolors.pdb protein.pdb | ribbon -d5 - > chains.r3d

    OPTIONS

    -h
    Suppress header records in output. By default ribbon will produce an output file which starts with header records containing a default set of scaling and processing options. The -h flag will suppress these header records so that the output file contains only triangle descriptors. This option is useful for producing files which describe only part of a scene, and which are to be later combined with descriptor files produced by other programs.
    -d[0123456]
    By default ribbon requires interactive input to select ribbon parameters and coloring information. Five default coloring schemes are implemented, however, and these may be selected as a command line option to bypass any interactive input.
    -d or -d0 same as -d2 below
    -d1 solid color ribbon (defaults to blue)
    -d2 shade from blue at N-terminus to red at C-terminus
    -d3 one surface of ribbon is blue, other surface is grey
    -d4 shade front surface from blue to red, back surface is grey
    -d5 color separate chains using successive color cards from input stream. Note that pattern matching on the color records is not done; colors are simply taken sequentially as new chains are encountered.
    -d6 Take color from nearest CA atom using color match templates from the COLOUR records at the head of the input file.

    DESCRIPTION

    The input to ribbon consists of a single text file containing colour information [optional] and atomic coordinates in PDB data bank format. Only CA and carbonyl O atom records are required; all other input atoms are ignored. Ribbon parameters and colouring specified interactively when the program is run. Keyboard interaction may be bypassed by selecting one of the default colouring schemes using the -d flag. A triangular mesh ribbon is output as Raster3D descriptor records. By default the output file contains a set of header records as required by the render program. The header is constructed to include a TMAT matrix corresponding to the transformation matrix contained in file setup.matrix (if it exists), or to the Eulerian angles contained in file setup.angles (if it exists). Ribbon produces a continuous smooth trace of the protein backbone. For more complicated representations of protein secondary structure it is better to use a different program, e.g. Molscript, rather than ribbon.

    ENVIRONMENT

    The files setup.matrix and setup.angles, if they exist, affect the header records produced by ribbon.

    AUTHORS

    Original ribbon code written by Phil Evans for the CCP4 version of FRODO. Modification to describe solid ribbons as triangular mesh for Phong shading in Raster3D package by Ethan A Merritt.
    Back to top Raster3D homepage Raster3D_3.0-2/./html/r3d_stereo7.jpeg0000664000471100047110000006630111327673235017313 0ustar merrittmerrittÿØÿàJFIF,,ÿÛC     ÿÛC   ÿÀ"ÿÄ ÿÄB!1"AQR‘2aq#Bb$3¡± CÑðS¢ÁÂ%4‚’ñÿÄÿÄ9!1AQaq‘"¡Ñð2R±ÁBáñb#$3r‚¢ÿÚ ?ð)\ Iôf¼bùúç[®9'`rNÏ9 šõ¬®‰1ÒL¿¢Ø$L+Æ}›5éqº]¢"cZ’÷Æa……µð!.ZN‡)Ø;U“©§.ö¶ê /¨²·ìóŒ&MªäÍÎÝúc ²Ïa¦™Yo}Õ¾žHm Ù¸Vãp÷ù-öáoG;}ùs_ÎWrî¨N]¦ªÚ‡Qn/¸c!ï+K\¯ßŽ·ûîºu¨V‰Ñ)SXÖ~ÌEÈÙ-.©¶Crá5qY+Lhí‚Vë‡Ñ)zŸàlø¨ZQJ;¥(ëZŽ—3ìÏ™•ÚaÀ’ÌX*ºH¸´.‹„“£%17Ü-¥9q"_×.Ë‹G–ÜâAâ°÷ žjÑLà nb4Yµ)J©R”¥4Gʈ”¦ˆùP þôD¥i÷B/]:龚Ün¶9vÌ©O s6Ù¾ðê’ÒR\Rôž)â¥öÈäT#çY½IÍ-4TÜ×0Ó‚R”¨¨%*õÑ~ŽÞúíÅÄqÉæo§EÊWa.„ùXIây('’ø¾(WÓUS¾ÚŽùq¶™ K0ä»Ȳۥ )ä€xll¢*YMfä¦XàÜÕ¢èÒ´ŽŠô"û×[ÚŠuª#¶¨ŠŸ)7 mB:+q)JV ¾kHùÖl<€G¡- v(XàˆÐ®iR¸¦8þ]’[,±¤Ä‡&á!šz{Ý–µ'šôx‚Hש;Õî•Ýz-Ÿ\0ûä˜R/ô2eˆ—Zin6—;|ŠFÔ°†·½L¦³rLŽËž´TÚUǤÝ&Ⱥՙ1Œc Gzæã.É&\”°Óm69-jZ½MŸÚª6uh K*)惴«GÔ~Ô¢òX- f#EóJR¢¢”¥pN'Ð š"ç[®9'`rNÏ9 šõ¬®‰1ÒL¿¢Ø$L+Æ}›5éqº]¢"cZ’÷Æa……µð!.ZN‡)Ø;U“©§.ö¶ê /¨²·ìóŒ&MªäÍÎÝúc ²Ïa¦™Yo}Õ¾žHm 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    Converting Molscript labels to Raster3D

    The most frequent question I get about Raster3D is "How can I get the labels from Molscript into my Raster3D picture?". There is now a very easy answer - "Install Molscript Version 2!" The newer Molscript version (available via the web from     http://www.avatar.se/molscript draws labels in such a way that they will simply appear in your Raster3D image along with everything else.

    The rest of this information is therefore now obsolete, at least with regard to Molscript. It may, however, be useful as an example of how to mix PostScript and Raster3D processing. Generally this requires more effort than the result is worth. I recommend simply labelling your Raster3D output image using an interactive annotation tool on a workstation screen (e.g. the annotate mode of ImageMagick's display program). However, for anyone bound and determined to use Molscript for labelling I will describe how it can be done.

    1. The first thing to do is to establish the size of your eventual image in pixels. Let us say that you want a 3-inch by 2-inch print to be produced on a 300 dpi dye sublimation printer. 300 dpi (dots per inch) times the desired size gives 900x600 pixels for the image size. Construct a header file for the render program which describes this image size; e.g. 
      	My new picture with no anti-aliasing
	 45 30     NTX,NTY number of tiles in x, y
	 20 20     NPX,NPY number of pixels per tile
	     1     anti-aliasing scheme 1 (none) or 4 (smoothed)
	 0 0 0     black background
	(etc...)
      Pay particular attention to the fact (yes, it's confusing) that if you use anti-aliasing schemes 2 or 3 then the eventual number of pixels is not simply the product NTX*NPX,NTY*NPY. This is explained in the render manual.
    2. Now make sure that your Molscript input file is actually drawing in a box of the shape you have just described. To use the procedure I describe below, you must use the "area" command of Molscript to force the lower left corner to (0,0) and the upper right corner to (900,600). Furthermore there must be no bordering frame drawn around the image. So your Molscript input file will begin: 
      	plot
	noframe
	area 0. 0. 900. 600. ;
	background black ;
    3. Run Molscript with the -raster3d option to produce an input file to render which uses the header you constructed in step 1. 
      	molscript -r < picture.mol | render | convert avs:- picture.ppm
    4. Edit the molscript file to remove or comment out all drawing commands except for the labels. Run molscript again, this time in PostScript mode, to produce a PostScript file containing only the labels. 
      	molscript < picture_labels.mol > labels.ps
    5. Use ghostscript to convert the PostScript file into a raster image exactly the same size as your Raster3D image. 
      	gs -sDEVICE=ppm -sOutputFile=labels.ppm -g900x600 labels.ps
      At this point you have two images: 
      	picture.ppm	900x600 Raster3D image from original Molscript file
	labels.ppm	900x600 image containing only the labels
    6. Use the combine program from ImageMagick to draw the labels on top of the Raster3D image. 
      	combine -compose atop labels.ppm picture.ppm pic+labels.ppm
    7. I used the ppm raster file format throughout this example just because it works in both ImageMagick and ghostscript. This may be installation dependent, however. I'll now convert it back to a TIFF file. 
      	convert pic+labels.ppm beautiful.tiff
      As you see, this is a rather lengthy procedure. Furthermore, the label positioning will be slightly off compared to the pure PostScript version because Raster3D and Molscript treat perspective differently. As I say, I prefer to just type in the labels interactively so that I can see where they are going.
    Back to top Raster3D homepage
    Ethan A Merritt / merritt@u.washington.edu / Biomolecular Structure Center at UW
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    Using Raster3D for Animation

    Example

    The basic idea here is to repeatedly render a scene with small shifts in the contents between renderings. Here is an example of animating a 360 degree rotation of a scene described by Molscript and rendered in Raster3D.

    1. Create a Molscript description file for your scene, and make sure it works. Run it through Molscript once and note down the "window" and "slab" parameters reported to the terminal output. Add these to the top of your Molscript file so that they will be the same for all the rendered images. Also add a single line "@frame_rotation.mol" at the end of the coordinate transformation section of the Molscript input, as in the following example: 
          !
    ! File  "animate.mol"
    ! MOLSCRIPT V1.4 description file for an animation
    !
    plot
        window 100. ;
        slab   100. ;
    !
    ! Read in protein coordinates, center and rotate to desired viewpoint
    !
    read PROTEIN   "protein.pdb";
    transform atom *
	by centre position atom *
 	by rotation z    5.0
	by rotation x   33.0
        @frame_rotation.mol
	;
    !
    ! Secondary structure 
    !
        set planecolour  hsb 0.52 0.8 1.0 ;
        set plane2colour hsb 0.52 0.9 0.6 ;
        set linecolour   hsb 0.52 1.0 0.9 ;

	strand from A4   to A9   ;	turn from A9   to A13  ;
	helix  from A13  to A19  ;	coil from A19  to A41  ;
	
    [and so on and so forth]

    2. Remember to create a file "header.r3d" that contains the header records passed by Molscript to the Raster3D rendering program. Molscript will use its own header records by default if this file does not exist, but the defaults are not appropriate for your animated image.

      Your picture may look very beautiful when it fills the whole screen, but remember that most people looking at your animation will be using a machine+viewer combination that is very slow. It is best not to make your animated image large than, say, 256x256 pixels. Size is somewhat less of a problem for MPEG animations than for animated GIF images.

    3. Now you want to run this input file through both Molscript and Raster3D repeatedly, with a different rotation in the file rotation.mol each time. Here is a perl script that does a complete 360 degree rotation in increments of 3 degrees. 
          #!/usr/local/bin/perl
    #
    #
	open (STDERR, ">animate.log");
    #
    Frame: for ($i = 0.0; $i < 360.0; $i += 3.0)
	{
	open(ROTATION, "> frame_rotation.mol");
	printf ROTATION "by rotation y %6.1f \n", $i;
	close(ROTATION);

	$outfile = sprintf( "frame_%3.3d.jpeg", $i ) ;
	$molscript = '/usr/local/bin/molscript -r' ;
	$render = '/usr/local/bin/render -jpeg' ;

	$command = "$molscript < animate.mol | $render > $outfile" ;
	system '/bin/echo', $command ;
	system "/bin/csh", "-c", "$command" ;

	}

    4. You now should have a series of rendered frames called frame_000.jpeg, frame_003.jpeg, etc, where the rotation angle is coded into the file name.

    5. You can convert the entire series of frames into an animated GIF file using the ImageMagick convert command: 
           convert -delay 15 -loop 0 frame_*.jpeg movie.gif
      The -delay parameter sets a minimum display time per frame in 0.01 seconds. The -loop 0 sets a flag requesting a display program to loop over the frames repeatedly.

    6. Alternatively, you can convert the series of frames into an MPEG animation. This process is rather arcane (and I certainly don't understand it very well), but the command will look something like this: 
           mpeg_encode mpeg_encoding.dat
      The mpeg_encode program is available from the Berkeley Multimedia Research Center. The entire process, including input file names, encoding parameters, output file name, etc, etc, is all specified in the *.dat file. Here is one that worked for me, but I don't guarantee that the parameters are at all optimal! 
          #
    # file "mpeg_encoding.dat"
    #
      INPUT_DIR .
      INPUT
      frame_*.jpeg [000-360+3]
      END_INPUT
      OUTPUT movie.mpeg
      BASE_FILE_FORMAT JPEG
      INPUT_CONVERT    *
      PATTERN          IBPBB
      FORCE_ENCODE_LAST_FRAME
      SLICES_PER_FRAME 1
      GOP_SIZE 10
      PIXEL    HALF
      RANGE    2
      IQSCALE  5
      PQSCALE  10
      BQSCALE  15
      REFERENCE_FRAME DECODED
      PSEARCH_ALG     LOGARITHMIC
      BSEARCH_ALG     CROSS2

    7. Depending on which method of animation you chose, the command to play back your new movie is either 
       animate movie.gif
      or 
       mpeg_play -quiet -dither color movie.mpeg
      Netscape is capable of displaying animated GIF files also, but the performance is much slower than the ImageMagick animate command. (Actually the animate command also is slow during the first couple of loops through the movie, but once all the frames are in local cache memory it whips right along. Netscape rereads the file each time, so it never speeds up due to repetition). You can configure Netscape to trigger mpeg_play as a helper application.

    8. That's it!

    Bells & Whistles

    The example above is specific to the use of Molscript, but the same basic idea could be used to animate a figure composed using other tools. In this case you would probably want to write a perl script that, instead of simply writing a single line for Molscript, writes out the full set of Raster3D header records. That would allow a zoom effect through changing the scale parameter in TMAT(4,4), general rotation and translation by changing the full TMAT orientation matrix, and many other special effects.

    This approach works nicely with file indirection in the render input file. One could, for example, fade a surface in or out by gradually changing its degree of transparency. To do this you would describe the surface in the main input file as 

        @transparent.r3d
    @surface.r3d
    9 End transparent
    And successive iterations of the animation script would overwrite the degree of transparency sepecified in "transparent.r3d" in much the same way that the rotation angle was changed in the example listed above.

    Before getting too fancy you might want to look into molecular graphics packages specifically designed for animation, for example the GRAMPS language by TJ O'Donnell and AJ Olson (1981) [Computer Graphics 15:133-142]. The perl+Raster3D combination is probably sufficient for animations simple enough to view via the web, however.

    - Ethan A Merritt, Sept 1997

    Back to top Raster3D homepage Raster3D_3.0-2/./html/rgbtext.html0000664000471100047110000000041511327673235016643 0ustar merrittmerritt Click on a coloured ball to see its X11 and Raster3D RGB values.
    Descriptors for boxed colors at upper left are pre-defined in directory $R3D_LIB. Raster3D_3.0-2/./html/r3d_colors.html0000664000471100047110000021035411327673235017242 0ustar merrittmerritt

    blackX11:   0 0 0 Raster3D:   0.000 0.000 0.000

    whiteX11:   245 245 245 Raster3D:   0.923 0.923 0.923

    blueX11:   81 81 242 Raster3D:   0.101 0.101 0.901

    cyanX11:   0 213 213 Raster3D:   0.000 0.698 0.698

    darkblueX11:   0 0 139 Raster3D:   0.000 0.000 0.297

    dummyX11:   0 0 0 Raster3D:   0.000 0.000 0.000

    AliceBlueX11:   240 248 255 Raster3D:   0.886 0.946 1.000

    AntiqueWhiteX11:   250 235 215 Raster3D:   0.961 0.849 0.711

    AntiqueWhite1X11:   255 239 219 Raster3D:   1.000 0.878 0.738

    AntiqueWhite2X11:   238 223 204 Raster3D:   0.871 0.765 0.640

    AntiqueWhite3X11:   205 192 176 Raster3D:   0.646 0.567 0.476

    AntiqueWhite4X11:   139 131 120 Raster3D:   0.297 0.264 0.221

    BlanchedAlmondX11:   255 235 205 Raster3D:   1.000 0.849 0.646

    BlueVioletX11:   138 43 226 Raster3D:   0.293 0.028 0.785

    CadetBlueX11:   95 158 160 Raster3D:   0.139 0.384 0.394

    CadetBlue1X11:   152 245 255 Raster3D:   0.355 0.923 1.000

    CadetBlue2X11:   142 229 238 Raster3D:   0.310 0.806 0.871

    CadetBlue3X11:   122 197 205 Raster3D:   0.229 0.597 0.646

    CadetBlue4X11:   83 134 139 Raster3D:   0.106 0.276 0.297

    CornflowerBlueX11:   100 149 237 Raster3D:   0.154 0.341 0.864

    darkgreenX11:   0 180 0 Raster3D:   0.000 0.498 0.000

    darkgreyX11:   114 114 114 Raster3D:   0.200 0.200 0.200

    darkredX11:   139 0 0 Raster3D:   0.297 0.000 0.000

    greenX11:   0 228 81 Raster3D:   0.000 0.799 0.101

    greyX11:   180 198 198 Raster3D:   0.498 0.603 0.603

    dummyX11:   0 0 0 Raster3D:   0.000 0.000 0.000

    DarkCyanX11:   0 139 139 Raster3D:   0.000 0.297 0.297

    DarkGrayX11:   169 169 169 Raster3D:   0.439 0.439 0.439

    DarkKhakiX11:   189 183 107 Raster3D:   0.549 0.515 0.176

    DarkMagentaX11:   139 0 139 Raster3D:   0.297 0.000 0.297

    DarkOliveGreenX11:   85 107 47 Raster3D:   0.111 0.176 0.034

    DarkOliveGreen1X11:   202 255 112 Raster3D:   0.628 1.000 0.193

    DarkOliveGreen2X11:   188 238 104 Raster3D:   0.544 0.871 0.166

    DarkOliveGreen3X11:   162 205 90 Raster3D:   0.404 0.646 0.125

    DarkOliveGreen4X11:   110 139 61 Raster3D:   0.186 0.297 0.057

    DarkOrangeX11:   255 140 0 Raster3D:   1.000 0.301 0.000

    DarkOrange1X11:   255 127 0 Raster3D:   1.000 0.248 0.000

    DarkOrange2X11:   238 118 0 Raster3D:   0.871 0.214 0.000

    DarkOrange3X11:   205 102 0 Raster3D:   0.646 0.160 0.000

    DarkOrange4X11:   139 69 0 Raster3D:   0.297 0.073 0.000

    lightblueX11:   173 216 230 Raster3D:   0.460 0.718 0.814

    lightgreenX11:   152 251 152 Raster3D:   0.355 0.969 0.355

    lightgreyX11:   211 211 211 Raster3D:   0.685 0.685 0.685

    lightyellowX11:   238 234 160 Raster3D:   0.871 0.842 0.394

    lilacX11:   213 140 242 Raster3D:   0.698 0.301 0.901

    moccasinX11:   255 228 181 Raster3D:   1.000 0.799 0.504

    DarkSalmonX11:   233 150 122 Raster3D:   0.835 0.346 0.229

    DarkSeaGreenX11:   143 188 143 Raster3D:   0.314 0.544 0.314

    DarkOrchidX11:   153 50 204 Raster3D:   0.360 0.038 0.640

    DarkOrchid1X11:   191 62 255 Raster3D:   0.561 0.059 1.000

    DarkOrchid2X11:   178 58 238 Raster3D:   0.487 0.052 0.871

    DarkOrchid3X11:   154 50 205 Raster3D:   0.365 0.038 0.646

    DarkOrchid4X11:   104 34 139 Raster3D:   0.166 0.018 0.297

    DarkSeaGreen1X11:   193 255 193 Raster3D:   0.573 1.000 0.573

    DarkSeaGreen2X11:   180 238 180 Raster3D:   0.498 0.871 0.498

    DarkSeaGreen3X11:   155 205 155 Raster3D:   0.369 0.646 0.369

    DarkSeaGreen4X11:   105 139 105 Raster3D:   0.170 0.297 0.170

    DarkSlateBlueX11:   72 61 139 Raster3D:   0.080 0.057 0.297

    DarkSlateGreyX11:   47 79 79 Raster3D:   0.034 0.096 0.096

    DarkTurquoiseX11:   0 206 209 Raster3D:   0.000 0.653 0.672

    lightorangeX11:   249 161 57 Raster3D:   0.953 0.399 0.050

    orangeX11:   238 118 0 Raster3D:   0.871 0.214 0.000

    orchidX11:   218 112 214 Raster3D:   0.731 0.193 0.704

    purpleX11:   213 0 213 Raster3D:   0.698 0.000 0.698

    redX11:   242 0 0 Raster3D:   0.901 0.000 0.000

    yellowX11:   255 255 0 Raster3D:   1.000 1.000 0.000

    DarkVioletX11:   148 0 211 Raster3D:   0.337 0.000 0.685

    DeepPinkX11:   255 20 147 Raster3D:   1.000 0.006 0.332

    DeepPink1X11:   255 20 147 Raster3D:   1.000 0.006 0.332

    DeepPink2X11:   238 18 137 Raster3D:   0.871 0.005 0.289

    DeepPink3X11:   205 16 118 Raster3D:   0.646 0.004 0.214

    DeepPink4X11:   139 10 80 Raster3D:   0.297 0.002 0.098

    DeepSkyBlueX11:   0 191 255 Raster3D:   0.000 0.561 1.000

    DeepSkyBlue1X11:   0 191 255 Raster3D:   0.000 0.561 1.000

    DeepSkyBlue2X11:   0 178 238 Raster3D:   0.000 0.487 0.871

    DeepSkyBlue3X11:   0 154 205 Raster3D:   0.000 0.365 0.646

    DeepSkyBlue4X11:   0 104 139 Raster3D:   0.000 0.166 0.297

    DodgerBlueX11:   30 144 255 Raster3D:   0.014 0.319 1.000

    DodgerBlue1X11:   30 144 255 Raster3D:   0.014 0.319 1.000

    DodgerBlue2X11:   28 134 238 Raster3D:   0.012 0.276 0.871

    matteRaster3D: matte.r3d applied to pink

    bronzeRaster3D: metallic

    silverRaster3D: metallic

    goldRaster3D: metallic

    pearlRaster3D: metallic

    transparentX11:  Raster3D: transparent.r3d applied to green

    DodgerBlue3X11:   24 116 205 Raster3D:   0.009 0.207 0.646

    DodgerBlue4X11:   16 78 139 Raster3D:   0.004 0.094 0.297

    FloralWhiteX11:   255 250 240 Raster3D:   1.000 0.961 0.886

    ForestGreenX11:   34 139 34 Raster3D:   0.018 0.297 0.018

    GhostWhiteX11:   248 248 255 Raster3D:   0.946 0.946 1.000

    GreenYellowX11:   173 255 47 Raster3D:   0.460 1.000 0.034

    HotPinkX11:   255 105 180 Raster3D:   1.000 0.170 0.498

    DimGreyX11:   105 105 105 Raster3D:   0.170 0.170 0.170

    HotPink1X11:   255 110 180 Raster3D:   1.000 0.186 0.498

    HotPink2X11:   238 106 167 Raster3D:   0.871 0.173 0.429

    HotPink3X11:   205 96 144 Raster3D:   0.646 0.142 0.319

    HotPink4X11:   139 58 98 Raster3D:   0.297 0.052 0.148

    IndianRedX11:   205 92 92 Raster3D:   0.646 0.130 0.130

    IndianRed1X11:   255 106 106 Raster3D:   1.000 0.173 0.173

    IndianRed2X11:   238 99 99 Raster3D:   0.871 0.151 0.151

    IndianRed3X11:   205 85 85 Raster3D:   0.646 0.111 0.111

    IndianRed4X11:   139 58 58 Raster3D:   0.297 0.052 0.052

    LavenderBlushX11:   255 240 245 Raster3D:   1.000 0.886 0.923

    LawnGreenX11:   124 252 0 Raster3D:   0.236 0.977 0.000

    LemonChiffonX11:   255 250 205 Raster3D:   1.000 0.961 0.646

    LemonChiffon1X11:   255 250 205 Raster3D:   1.000 0.961 0.646

    LemonChiffon2X11:   238 233 191 Raster3D:   0.871 0.835 0.561

    LemonChiffon3X11:   205 201 165 Raster3D:   0.646 0.621 0.419

    LemonChiffon4X11:   139 137 112 Raster3D:   0.297 0.289 0.193

    LightBlue1X11:   191 239 255 Raster3D:   0.561 0.878 1.000

    LightBlue2X11:   178 223 238 Raster3D:   0.487 0.765 0.871

    LightBlue3X11:   154 192 205 Raster3D:   0.365 0.567 0.646

    LightBlue4X11:   104 131 139 Raster3D:   0.166 0.264 0.297

    LightCoralX11:   240 128 128 Raster3D:   0.886 0.252 0.252

    LightGoldenrodX11:   238 221 130 Raster3D:   0.871 0.751 0.260

    LightGoldenrod1X11:   255 236 139 Raster3D:   1.000 0.857 0.297

    LightGoldenrod2X11:   238 220 130 Raster3D:   0.871 0.744 0.260

    LightGoldenrod3X11:   205 190 112 Raster3D:   0.646 0.555 0.193

    LightGoldenrod4X11:   139 129 76 Raster3D:   0.297 0.256 0.089

    LightGoldenrodYellowX11:   250 250 210 Raster3D:   0.961 0.961 0.678

    LightGrayX11:   211 211 211 Raster3D:   0.685 0.685 0.685

    LightSeaGreenX11:   32 178 170 Raster3D:   0.016 0.487 0.444

    LightSlateBlueX11:   132 112 255 Raster3D:   0.268 0.193 1.000

    LightSlateGrayX11:   119 136 153 Raster3D:   0.218 0.284 0.360

    LightSlateGreyX11:   119 136 153 Raster3D:   0.218 0.284 0.360

    LightSteelBlueX11:   176 196 222 Raster3D:   0.476 0.591 0.758

    LightSteelBlue1X11:   202 225 255 Raster3D:   0.628 0.779 1.000

    LightSteelBlue2X11:   188 210 238 Raster3D:   0.544 0.678 0.871

    LightSteelBlue3X11:   162 181 205 Raster3D:   0.404 0.504 0.646

    LightSteelBlue4X11:   110 123 139 Raster3D:   0.186 0.233 0.297

    LimeGreenX11:   50 205 50 Raster3D:   0.038 0.646 0.038

    MediumAquamarineX11:   102 205 170 Raster3D:   0.160 0.646 0.444

    MediumBlueX11:   0 0 205 Raster3D:   0.000 0.000 0.646

    MediumOrchidX11:   186 85 211 Raster3D:   0.532 0.111 0.685

    MediumOrchid1X11:   224 102 255 Raster3D:   0.772 0.160 1.000

    MediumOrchid2X11:   209 95 238 Raster3D:   0.672 0.139 0.871

    MediumOrchid3X11:   180 82 205 Raster3D:   0.498 0.103 0.646

    MediumOrchid4X11:   122 55 139 Raster3D:   0.229 0.047 0.297

    MediumPurpleX11:   147 112 219 Raster3D:   0.332 0.193 0.738

    MediumPurple1X11:   171 130 255 Raster3D:   0.450 0.260 1.000

    MediumPurple2X11:   159 121 238 Raster3D:   0.389 0.225 0.871

    MediumPurple3X11:   137 104 205 Raster3D:   0.289 0.166 0.646

    MediumPurple4X11:   93 71 139 Raster3D:   0.133 0.078 0.297

    MediumSeaGreenX11:   60 179 113 Raster3D:   0.055 0.493 0.196

    MediumSlateBlueX11:   123 104 238 Raster3D:   0.233 0.166 0.871

    MediumSpringGreenX11:   0 250 154 Raster3D:   0.000 0.961 0.365

    MediumTurquoiseX11:   72 209 204 Raster3D:   0.080 0.672 0.640

    MediumVioletRedX11:   199 21 133 Raster3D:   0.609 0.007 0.272

    MidnightBlueX11:   25 25 112 Raster3D:   0.010 0.010 0.193

    MintCreamX11:   245 255 250 Raster3D:   0.923 1.000 0.961

    MistyRoseX11:   255 228 225 Raster3D:   1.000 0.799 0.779

    MistyRose1X11:   255 228 225 Raster3D:   1.000 0.799 0.779

    MistyRose2X11:   238 213 210 Raster3D:   0.871 0.698 0.678

    MistyRose3X11:   205 183 181 Raster3D:   0.646 0.515 0.504

    MistyRose4X11:   139 125 123 Raster3D:   0.297 0.240 0.233

    NavyBlueX11:   0 0 128 Raster3D:   0.000 0.000 0.252

    OldLaceX11:   253 245 230 Raster3D:   0.984 0.923 0.814

    OliveDrabX11:   107 142 35 Raster3D:   0.176 0.310 0.019

    OliveDrab1X11:   192 255 62 Raster3D:   0.567 1.000 0.059

    OliveDrab2X11:   179 238 58 Raster3D:   0.493 0.871 0.052

    OliveDrab3X11:   154 205 50 Raster3D:   0.365 0.646 0.038

    OliveDrab4X11:   105 139 34 Raster3D:   0.170 0.297 0.018

    OrangeRedX11:   255 69 0 Raster3D:   1.000 0.073 0.000

    OrangeRed1X11:   255 69 0 Raster3D:   1.000 0.073 0.000

    OrangeRed2X11:   238 64 0 Raster3D:   0.871 0.063 0.000

    OrangeRed3X11:   205 55 0 Raster3D:   0.646 0.047 0.000

    OrangeRed4X11:   139 37 0 Raster3D:   0.297 0.021 0.000

    PaleGreen1X11:   154 255 154 Raster3D:   0.365 1.000 0.365

    PaleGreen2X11:   144 238 144 Raster3D:   0.319 0.871 0.319

    PaleGreen3X11:   124 205 124 Raster3D:   0.236 0.646 0.236

    PaleGreen4X11:   84 139 84 Raster3D:   0.109 0.297 0.109

    PaleTurquoiseX11:   175 238 238 Raster3D:   0.471 0.871 0.871

    PaleTurquoise1X11:   187 255 255 Raster3D:   0.538 1.000 1.000

    PaleTurquoise2X11:   174 238 238 Raster3D:   0.466 0.871 0.871

    PaleTurquoise3X11:   150 205 205 Raster3D:   0.346 0.646 0.646

    PaleTurquoise4X11:   102 139 139 Raster3D:   0.160 0.297 0.297

    PaleVioletRedX11:   219 112 147 Raster3D:   0.738 0.193 0.332

    PaleVioletRed1X11:   255 130 171 Raster3D:   1.000 0.260 0.450

    PaleVioletRed2X11:   238 121 159 Raster3D:   0.871 0.225 0.389

    PaleVioletRed3X11:   205 104 137 Raster3D:   0.646 0.166 0.289

    PaleVioletRed4X11:   139 71 93 Raster3D:   0.297 0.078 0.133

    PapayaWhipX11:   255 239 213 Raster3D:   1.000 0.878 0.698

    PowderBlueX11:   176 224 230 Raster3D:   0.476 0.772 0.814

    RoyalBlueX11:   65 105 225 Raster3D:   0.065 0.170 0.779

    RoyalBlue1X11:   72 118 255 Raster3D:   0.080 0.214 1.000

    RoyalBlue2X11:   67 110 238 Raster3D:   0.069 0.186 0.871

    RoyalBlue3X11:   58 95 205 Raster3D:   0.052 0.139 0.646

    RoyalBlue4X11:   39 64 139 Raster3D:   0.023 0.063 0.297

    SaddleBrownX11:   139 69 19 Raster3D:   0.297 0.073 0.006

    SandyBrownX11:   244 164 96 Raster3D:   0.916 0.414 0.142

    SeaGreenX11:   46 139 87 Raster3D:   0.033 0.297 0.116

    SeaGreen1X11:   84 255 159 Raster3D:   0.109 1.000 0.389

    SeaGreen2X11:   78 238 148 Raster3D:   0.094 0.871 0.337

    SeaGreen3X11:   67 205 128 Raster3D:   0.069 0.646 0.252

    SeaGreen4X11:   46 139 87 Raster3D:   0.033 0.297 0.116

    SkyBlueX11:   135 206 235 Raster3D:   0.280 0.653 0.849

    SkyBlue1X11:   135 206 255 Raster3D:   0.280 0.653 1.000

    SkyBlue2X11:   126 192 238 Raster3D:   0.244 0.567 0.871

    SkyBlue3X11:   108 166 205 Raster3D:   0.179 0.424 0.646

    SkyBlue4X11:   74 112 139 Raster3D:   0.084 0.193 0.297

    SlateBlueX11:   106 90 205 Raster3D:   0.173 0.125 0.646

    SlateBlue1X11:   131 111 255 Raster3D:   0.264 0.189 1.000

    SlateBlue2X11:   122 103 238 Raster3D:   0.229 0.163 0.871

    SlateBlue3X11:   105 89 205 Raster3D:   0.170 0.122 0.646

    SlateBlue4X11:   71 60 139 Raster3D:   0.078 0.055 0.297

    SlateGrayX11:   112 128 144 Raster3D:   0.193 0.252 0.319

    SlateGray1X11:   198 226 255 Raster3D:   0.603 0.785 1.000

    SlateGray2X11:   185 211 238 Raster3D:   0.526 0.685 0.871

    SlateGray3X11:   159 182 205 Raster3D:   0.389 0.509 0.646

    SlateGray4X11:   108 123 139 Raster3D:   0.179 0.233 0.297

    SlateGreyX11:   112 128 144 Raster3D:   0.193 0.252 0.319

    SpringGreenX11:   0 255 127 Raster3D:   0.000 1.000 0.248

    SpringGreen1X11:   0 255 127 Raster3D:   0.000 1.000 0.248

    SpringGreen2X11:   0 238 118 Raster3D:   0.000 0.871 0.214

    SpringGreen3X11:   0 205 102 Raster3D:   0.000 0.646 0.160

    SpringGreen4X11:   0 139 69 Raster3D:   0.000 0.297 0.073

    SteelBlueX11:   70 130 180 Raster3D:   0.075 0.260 0.498

    SteelBlue1X11:   99 184 255 Raster3D:   0.151 0.521 1.000

    SteelBlue2X11:   92 172 238 Raster3D:   0.130 0.455 0.871

    SteelBlue3X11:   79 148 205 Raster3D:   0.096 0.337 0.646

    SteelBlue4X11:   54 100 139 Raster3D:   0.045 0.154 0.297

    VioletRedX11:   208 32 144 Raster3D:   0.665 0.016 0.319

    VioletRed1X11:   255 62 150 Raster3D:   1.000 0.059 0.346

    VioletRed2X11:   238 58 140 Raster3D:   0.871 0.052 0.301

    VioletRed3X11:   205 50 120 Raster3D:   0.646 0.038 0.221

    VioletRed4X11:   139 34 82 Raster3D:   0.297 0.018 0.103

    WhiteSmokeX11:   245 245 245 Raster3D:   0.923 0.923 0.923

    YellowGreenX11:   154 205 50 Raster3D:   0.365 0.646 0.038

    aquamarineX11:   127 255 212 Raster3D:   0.248 1.000 0.691

    aquamarine1X11:   127 255 212 Raster3D:   0.248 1.000 0.691

    aquamarine2X11:   118 238 198 Raster3D:   0.214 0.871 0.603

    aquamarine3X11:   102 205 170 Raster3D:   0.160 0.646 0.444

    aquamarine4X11:   69 139 116 Raster3D:   0.073 0.297 0.207

    beigeX11:   245 245 220 Raster3D:   0.923 0.923 0.744

    bisqueX11:   255 228 196 Raster3D:   1.000 0.799 0.591

    bisque1X11:   255 228 196 Raster3D:   1.000 0.799 0.591

    bisque2X11:   238 213 183 Raster3D:   0.871 0.698 0.515

    bisque3X11:   205 183 158 Raster3D:   0.646 0.515 0.384

    bisque4X11:   139 125 107 Raster3D:   0.297 0.240 0.176

    blue1X11:   0 0 255 Raster3D:   0.000 0.000 1.000

    blue2X11:   0 0 238 Raster3D:   0.000 0.000 0.871

    blue3X11:   0 0 205 Raster3D:   0.000 0.000 0.646

    blue4X11:   0 0 139 Raster3D:   0.000 0.000 0.297

    brownX11:   165 42 42 Raster3D:   0.419 0.027 0.027

    brown1X11:   255 64 64 Raster3D:   1.000 0.063 0.063

    brown2X11:   238 59 59 Raster3D:   0.871 0.054 0.054

    brown3X11:   205 51 51 Raster3D:   0.646 0.040 0.040

    brown4X11:   139 35 35 Raster3D:   0.297 0.019 0.019

    cornsilkX11:   255 248 220 Raster3D:   1.000 0.946 0.744

    cornsilk1X11:   255 248 220 Raster3D:   1.000 0.946 0.744

    cornsilk2X11:   238 232 205 Raster3D:   0.871 0.828 0.646

    cornsilk3X11:   205 200 177 Raster3D:   0.646 0.615 0.482

    cornsilk4X11:   139 136 120 Raster3D:   0.297 0.284 0.221

    firebrickX11:   178 34 34 Raster3D:   0.487 0.018 0.018

    firebrick1X11:   255 48 48 Raster3D:   1.000 0.035 0.035

    firebrick2X11:   238 44 44 Raster3D:   0.871 0.030 0.030

    firebrick3X11:   205 38 38 Raster3D:   0.646 0.022 0.022

    firebrick4X11:   139 26 26 Raster3D:   0.297 0.010 0.010

    gainsboroX11:   220 220 220 Raster3D:   0.744 0.744 0.744

    goldenrodX11:   218 165 32 Raster3D:   0.731 0.419 0.016

    goldenrod1X11:   255 193 37 Raster3D:   1.000 0.573 0.021

    goldenrod2X11:   238 180 34 Raster3D:   0.871 0.498 0.018

    goldenrod3X11:   205 155 29 Raster3D:   0.646 0.369 0.013

    goldenrod4X11:   139 105 20 Raster3D:   0.297 0.170 0.006

    grayX11:   190 190 190 Raster3D:   0.555 0.555 0.555

    green1X11:   0 255 0 Raster3D:   0.000 1.000 0.000

    green2X11:   0 238 0 Raster3D:   0.000 0.871 0.000

    green3X11:   0 205 0 Raster3D:   0.000 0.646 0.000

    green4X11:   0 139 0 Raster3D:   0.000 0.297 0.000

    honeydewX11:   240 255 240 Raster3D:   0.886 1.000 0.886

    honeydew1X11:   240 255 240 Raster3D:   0.886 1.000 0.886

    honeydew2X11:   224 238 224 Raster3D:   0.772 0.871 0.772

    honeydew3X11:   193 205 193 Raster3D:   0.573 0.646 0.573

    honeydew4X11:   131 139 131 Raster3D:   0.264 0.297 0.264

    ivoryX11:   255 255 240 Raster3D:   1.000 1.000 0.886

    ivory1X11:   255 255 240 Raster3D:   1.000 1.000 0.886

    ivory2X11:   238 238 224 Raster3D:   0.871 0.871 0.772

    ivory3X11:   205 205 193 Raster3D:   0.646 0.646 0.573

    ivory4X11:   139 139 131 Raster3D:   0.297 0.297 0.264

    khakiX11:   240 230 140 Raster3D:   0.886 0.814 0.301

    khaki1X11:   255 246 143 Raster3D:   1.000 0.931 0.314

    khaki2X11:   238 230 133 Raster3D:   0.871 0.814 0.272

    khaki3X11:   205 198 115 Raster3D:   0.646 0.603 0.203

    khaki4X11:   139 134 78 Raster3D:   0.297 0.276 0.094

    lavenderX11:   230 230 250 Raster3D:   0.814 0.814 0.961

    linenX11:   250 240 230 Raster3D:   0.961 0.886 0.814

    magentaX11:   255 0 255 Raster3D:   1.000 0.000 1.000

    magenta1X11:   255 0 255 Raster3D:   1.000 0.000 1.000

    magenta2X11:   238 0 238 Raster3D:   0.871 0.000 0.871

    magenta3X11:   205 0 205 Raster3D:   0.646 0.000 0.646

    magenta4X11:   139 0 139 Raster3D:   0.297 0.000 0.297

    navyX11:   0 0 128 Raster3D:   0.000 0.000 0.252

    orange1X11:   255 165 0 Raster3D:   1.000 0.419 0.000

    orange2X11:   238 154 0 Raster3D:   0.871 0.365 0.000

    orange3X11:   205 133 0 Raster3D:   0.646 0.272 0.000

    orange4X11:   139 90 0 Raster3D:   0.297 0.125 0.000

    orchid1X11:   255 131 250 Raster3D:   1.000 0.264 0.961

    orchid2X11:   238 122 233 Raster3D:   0.871 0.229 0.835

    orchid3X11:   205 105 201 Raster3D:   0.646 0.170 0.621

    orchid4X11:   139 71 137 Raster3D:   0.297 0.078 0.289

    peruX11:   205 133 63 Raster3D:   0.646 0.272 0.061

    pinkX11:   255 192 203 Raster3D:   1.000 0.567 0.634

    pink1X11:   255 181 197 Raster3D:   1.000 0.504 0.597

    pink2X11:   238 169 184 Raster3D:   0.871 0.439 0.521

    pink3X11:   205 145 158 Raster3D:   0.646 0.323 0.384

    pink4X11:   139 99 108 Raster3D:   0.297 0.151 0.179

    plumX11:   221 160 221 Raster3D:   0.751 0.394 0.751

    plum1X11:   255 187 255 Raster3D:   1.000 0.538 1.000

    plum2X11:   238 174 238 Raster3D:   0.871 0.466 0.871

    plum3X11:   205 150 205 Raster3D:   0.646 0.346 0.646

    plum4X11:   139 102 139 Raster3D:   0.297 0.160 0.297

    purple1X11:   155 48 255 Raster3D:   0.369 0.035 1.000

    purple2X11:   145 44 238 Raster3D:   0.323 0.030 0.871

    purple3X11:   125 38 205 Raster3D:   0.240 0.022 0.646

    purple4X11:   85 26 139 Raster3D:   0.111 0.010 0.297

    red1X11:   255 0 0 Raster3D:   1.000 0.000 0.000

    red2X11:   238 0 0 Raster3D:   0.871 0.000 0.000

    red3X11:   205 0 0 Raster3D:   0.646 0.000 0.000

    red4X11:   139 0 0 Raster3D:   0.297 0.000 0.000

    salmonX11:   250 128 114 Raster3D:   0.961 0.252 0.200

    salmon1X11:   255 140 105 Raster3D:   1.000 0.301 0.170

    salmon2X11:   238 130 98 Raster3D:   0.871 0.260 0.148

    salmon3X11:   205 112 84 Raster3D:   0.646 0.193 0.109

    salmon4X11:   139 76 57 Raster3D:   0.297 0.089 0.050

    siennaX11:   160 82 45 Raster3D:   0.394 0.103 0.031

    sienna1X11:   255 130 71 Raster3D:   1.000 0.260 0.078

    sienna2X11:   238 121 66 Raster3D:   0.871 0.225 0.067

    sienna3X11:   205 104 57 Raster3D:   0.646 0.166 0.050

    sienna4X11:   139 71 38 Raster3D:   0.297 0.078 0.022

    tanX11:   210 180 140 Raster3D:   0.678 0.498 0.301

    tan1X11:   255 165 79 Raster3D:   1.000 0.419 0.096

    tan2X11:   238 154 73 Raster3D:   0.871 0.365 0.082

    tan3X11:   205 133 63 Raster3D:   0.646 0.272 0.061

    tan4X11:   139 90 43 Raster3D:   0.297 0.125 0.028

    thistleX11:   216 191 216 Raster3D:   0.718 0.561 0.718

    thistle1X11:   255 225 255 Raster3D:   1.000 0.779 1.000

    thistle2X11:   238 210 238 Raster3D:   0.871 0.678 0.871

    thistle3X11:   205 181 205 Raster3D:   0.646 0.504 0.646

    thistle4X11:   139 123 139 Raster3D:   0.297 0.233 0.297

    tomatoX11:   255 99 71 Raster3D:   1.000 0.151 0.078

    tomato1X11:   255 99 71 Raster3D:   1.000 0.151 0.078

    tomato2X11:   238 92 66 Raster3D:   0.871 0.130 0.067

    tomato3X11:   205 79 57 Raster3D:   0.646 0.096 0.050

    tomato4X11:   139 54 38 Raster3D:   0.297 0.045 0.022

    turquoiseX11:   64 224 208 Raster3D:   0.063 0.772 0.665

    turquoise1X11:   0 245 255 Raster3D:   0.000 0.923 1.000

    turquoise2X11:   0 229 238 Raster3D:   0.000 0.806 0.871

    turquoise3X11:   0 197 205 Raster3D:   0.000 0.597 0.646

    turquoise4X11:   0 134 139 Raster3D:   0.000 0.276 0.297

    violetX11:   238 130 238 Raster3D:   0.871 0.260 0.871

    wheatX11:   245 222 179 Raster3D:   0.923 0.758 0.493

    wheat1X11:   255 231 186 Raster3D:   1.000 0.821 0.532

    wheat2X11:   238 216 174 Raster3D:   0.871 0.718 0.466

    wheat3X11:   205 186 150 Raster3D:   0.646 0.532 0.346

    wheat4X11:   139 126 102 Raster3D:   0.297 0.244 0.160

    yellow1X11:   255 255 0 Raster3D:   1.000 1.000 0.000

    yellow2X11:   238 238 0 Raster3D:   0.871 0.871 0.000

    yellow3X11:   205 205 0 Raster3D:   0.646 0.646 0.000

    yellow4X11:   139 139 0 Raster3D:   0.297 0.297 0.000

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Lc¹,<‹KuÜâàa3ì©lo&=Iòãx Za b¶EânÁ+4íÝ8‰rž Æf§u¬²Ú¢–qRKc¬3¢'ï `R´TEXácd£‘9`©ùâ‰o!d©q£æ–³kMº¥’ãÊ 7´(?HD/Iq6£‘&È0¢`L$]fœ¢ —•–ù¢T´ä¸hNŽé¼@rf6šw ”ïòÍL)$0Â$›ä£0p yžÏͽ‘³p z¤–¬›-„ùN’…€X kû^h4OɤtS–”Ûæ sqýÿÈèµ)1rIß.h÷õ,`½Ñ|й…×+ÙÙB‘`»îiBă#ƒ: 4á6‘ð&(ÜÊåá±A9´|ä©zM¹?ù?†XŸÁ+‰ÔŒî)2£_àdž*ÄC1 í® Ò 0×S>u(Ô;XšáÂ"wY`¨M”3ïâ¢È+û‹m1ÿ†ŒÏšî$šCr¨­uYaÅÈi[ÒƒjEÖ¨ŒL•â)À„Ó0I»£E“a9,‘pÔ±Rô3¸JSú‚å õ:}Ù#-Õ‚‚á éwÁ±Þ±H ®¹ÆÊd‘.0Aº3PßÖªœ2yˆAj|¬Ï#+EžbÅÛGu©C êƒ"}#J1ð‘/#Z+¨®Ä©V/}êBÖN“¢2"d¡),²¤i¤´Ã‘œ€b­0)ä”þ!D•]û#sÚ*_ßÁ—&+LÏg•è/ªQ-CŽ RØÚR}Ÿõ@mÝt4K[.È å1ÓÅ,ölˆ‡0ïIA†Ù|/’Yjœ¦)@› ¼ÍïkkEŠð„¿N“5Ž3±Pø„]Ág–1üFÊyFϲ¬ëÙIÕ0!ØI]ŽÜ­R#vi)²nfdÔ£‡<‹é­Ö<¿Îj5¼¨€a—,Õ€2 @‡s#ê(º]L ö (êÍþªG‰hB%འt€` Yid‘ň¢v3CŠNÍT§µ2@…˜´Gß4>i¸ ÷Ó RASTEP - Raster3D thermal ellipsoid program

    RASTEP

    Raster3D Thermal Ellipsoid Program

    SYNOPSIS

    rastep < infile.pdb > ellipsoids.r3d
rastep -tabulate [tabfile] [-by_atomtype] [-com [comtabfile]] \
       < infile.pdb > statistics.text

    rastep reads a PDB coordinate file. This file must contain ANISOU records describing atoms refined with Anisotropic Displacement Parameters Uij. rastep can either create an input file for the Raster3d render program or perform a statistical analysis of the atomic anisotropy for various classes of input atoms.

    By default the program creates an ellipsoid+stick scene description in which each atom is represented by an ellipsoid enclosing an isosurface of the probability density function. These are commonly known as thermal ellipsoids.

    The program can be run in an alternate mode, controlled by the -tabulate option, in which the primary output to stdout is a list of the Eigenvalues of the Uij matrix, followed by the corresponding atomic anisotropy and isotropic Ueq, for each atom in the input file with both an ATOM record and a matching ANISOU record. This mode is used by the validation tools Parvati and Skittls.

    EXAMPLES

    Describe thermal ellipsoids at the 50% probability level, with default CPK colors, and send it for immediate rendering into a TIFF image file. The angle of view is automatically adjusted to spread atoms out as much as possible in the XY plane of the image:

    rastep -auto < infile.pdb | render > picture.png

    Describe the same ellipsoids colored by Biso, and create an input module with no header records for inclusion in a composite image:

    rastep -h -Bcolor 10. 30. < infile.pdb > ellipsoids.r3d
cat header.r3d ellipsoids.r3d otherstuff.r3d | render -jpeg > picture.jpeg

    List anisotropy of individual atoms to stdout and summarize the distribution of anisotropy to a separate file: 

    rastep -tab summary.out < infile.pdb > anisotropy.out

    OPTIONS

    -auto
    Auto-selection of viewing angle, chosen to minimize the spread of the atoms along the view direction.

    -Bcolor Bmin Bmax
    Assign colors based on B values rather than matching ATOM records against input or default COLOUR records. Atoms with B <= Bmin will be colored dark blue; atoms with B >= Bmax will be colored light red; atoms with Bmin < B < Bmax will be assigned colors shading smoothly through the spectrum from blue to red.


    -fancy[0-6]
    The -fancy option selects increasingly complex representations of the rendered ellipsoids (see figure)
    -fancy0 [default] solid surface
    -fancy1 draw principal axes of ellipsoid with a transparent bounding surface
    -fancy2 draw colored equatorial planes of the ellipsoid
    -fancy3 draw colored equatorial planes with a transparent bounding surface
    -fancy4 draw longest principle axis of ellipsoid
    -fancy5 for ORTEP lovers, draw ellipsoid with octant missing
    -fancy6 for ORTEP lovers who want the missing octant to be a different color
    [figure]

    -h
    Suppress header records in output. By default rastep will produce an output file which starts with header records containing a default set of scaling and processing options. The -h flag will suppress these header records. This option is useful for producing files which describe only part of a scene, and which are to be later combined with descriptor files produced by other programs.

    -iso
    Force isotropic probability surfaces (spheres). By default rastep will look for ANISOU records in the PDB file and use these to generate ellipsoids. If no ANISOU record is present for a given atom, the B value given in the ATOM record will be used to generate a sphere instead. Selecting the -iso option will force the program to use the B value in the ATOM record even if an ANISOU record is also present.

    -mini
    Auto-orientation (as in -auto) and small size plot (176x208).

    -nohydrogens
    Do not plot hydrogens, even if present in PDB file.

    -prob Plevel
    By default, isosurfaces are drawn to enclose the 50% probability level in the probability density function described by the Uij values in the ANISOU record. The -prob option allows you to select a different probability level instead. If 0<Plevel<1 this value is interpreted as a fraction; if Plevel > 1 this value is interpreted as a percent.

    -radius R
    By default, rastep draws bonds with radius 0.10Å between neighboring atoms using the same algorithm as rods. This option allows you to change the radius of the bonds. If the radius is set to 0 no bonds are drawn.

    OPTIONS USED FOR STATISTICAL ANALYSIS

    -tabulate [tabfile]
    The -tabulate option requests that the program accumulate and print statistics on the distribution of anisotropy among atoms in the input file rather than producing an input file for render. The principle axes and anisotropy of each atom are written to stdout. An overall statistical summary is written to tabfile if specified, otherwise to stdout.

    -by_atomtype
    The -by_atomtype option is a modifier to -tabulate. It causes a further subdivision of atoms by atom type (columns 77:78 in the PDB ATOM record) in the preparation of statistical summaries.

    -com [comtabfile]
    Tabulate distribution of anisotropy in shells by distance from center-of-mass. Output to comtabfile if specified, otherwise to stdout

    NOTES

    There is little, if any, consistency in format among the various programs which write out anisotropic displacement parameters. This program interprets the Uij values in the order specified for ANISOU records in PDB format. That is, columns 29-70 of the PDB record are interpreted as integers representing 104 Å2 x Uij , in the order U11, U22, U33, U12, U13, U23. Note in particular that the order of cross-terms is not the same as that used by ORTEP or SHELX, which do not use PDB format. However, the program shelxpro will produce correctly formatted PDB records from a SHELX coordinate file.

    AUTHOR

    Ethan A Merritt

    REFERENCES

    M.N. Burnett & C.K. Johnson (1996). "ORTEP-III: Oak Ridge thermal ellipsoid plot program for crystal structure illustrations". ORNL-6895, Oak Ridge National Laboratory. Table 6.1

    K.N. Trueblood et al (1996). "Atomic Displacement Parameter Nomenclature, report of a subcommittee on atomic displacement parameter nomenclature". Acta Cryst. A52, 770-781.

    E.A. Merritt (1999). "Expanding the Model: Anisotropic Displacement Parameters in Protein Structure Refinement". Acta Cryst. D55, 1109-1117. (Copyright © International Union of Crystallography).

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    STEREO3D

    SYNOPSIS

    stereo3d is a shell script that renders a single Raster3D input file as a side-by-side stereo pair. 
    stereo3d [options] [-png] [outfile.png ]  < infile.r3d > outfile.png
stereo3d [options]  -tiff [outfile.tiff]  < infile.r3d > outfile.tiff
    stereo3d uses the Raster3D utilities normal3d and render, and the ImageMagick image processing package.

    Input is from stdin, output is to stdout unless explicitly given on the command line. Default output format is PNG, but TIFF output can be chosen instead. Intermediate files are created in directory $TMPDIR, if defined, otherwise in /usr/tmp.

    • By default stereo3d generates stereo separation by applying a shear operator to the left and right images. The -angsep option allows you to instead generate stereo separation by rotation rather than shear. Neither method is perfect, so you can't win. Below is a summary of the weak points of the two methods. 
                                    shear           rotation
                                -----           --------
     Bounding planes            always bad      OK
     shadows                    often bad     	OK
     Z-clipping                 OK              serious problem
     specular highlights        OK              minor problem

    EXAMPLES

    If the following line would render single image: 
    	render -png single.png < input.r3d
    then the following line would render the same scene as a stereo pair instead: 
    	stereo3d -png stereo.png < input.r3d

    OPTIONS

    -angsep
    By default the stereo effect is created by applying a shear operator to the left and right views. The -angset option instead creates stereo by offsetting the two views by an angular separation of +/- 2.5° from the original setting.
    -border
    By default the left and right images are placed next to each other with no intervening space and no frame around them. The -border option requests a 4 pixel wide black border separating and surrounding the component images.
    -size HHHxVVV
    Force the size of the left and right images to HHHxVVV pixels, overriding whatever values are given in the input file.

    ENVIRONMENT

    This script requires the ImageMagick image processing package. By default stereo3d invokes render with the option -labels so that labels are processed in stereo also.

    AUTHORS

    Ethan A Merritt.
    Back to top Raster3D homepage Raster3D_3.0-2/./html/rgbmap_white.html0000664000471100047110000010151411327673235017636 0ustar merrittmerritt Raster3D_3.0-2/./html/r3d_docstyle.css0000664000471100047110000000244311327673235017411 0ustar merrittmerritt Raster3D_3.0-2/./html/r3d_colorpicker.html0000664000471100047110000000051711327673235020253 0ustar merrittmerritt Raster3D color picker Raster3D_3.0-2/./html/r3dtops_tex2.gif0000664000471100047110000000103411327673235017323 0ustar merrittmerrittGIF89a`ô"""333DDDUUUfffwwwˆˆˆ™™™ªªª»»»ÌÌÌÝÝÝîîîÿÿÿ"""!ù!þ8 Image generated by Aladdin Ghostscript (device=pnmraw) ,`þ ÄP8Pª®l›–årp»xÍv½¸‹ÃÐØºä °r”P*Æ৬:Д”Š+Tת®Ä"³\ñ˜yN·JE àj6÷²ÌnfÕ9f~ke_M=7o}{+ €U‚)I’ ,4•Œ’šJ¤§l ˆGYˆ†„+‰¢¦‹=ªZ x±4q“ ¢’ tºÈ+˽Žsr¢ η¢µÍ]ÛÑ`‚’.ããĪ0Ù*èÞo©)ÆeÌåɹÝîç±GÒ¸Ùã“/¾P(9(0 ‹'E–h§­I .š8 ÒŒ-”à50^ ø#‹DlA¸T£EtCS‹’)˜$W°¢FЊ–Y§”h¥?óE§Ô‡C`jª¨A|r5u`k8¹PÁб๠7…”(±;Raster3D_3.0-2/./html/balls.html0000644000471100047110000001155611503216230016247 0ustar merrittmerritt balls (a.k.a. setup) - Raster3D package

    BALLS

    SYNOPSIS

    balls is a preprocessor which prepares a description of a space-filling model for the Raster3D molecular graphics package 

    balls [-h]
    balls reads a file describing atom colours and/or a PDB coordinate file and produces a stream of Raster3D object descriptors on stdout, one sphere for each atom in the input file. The file produced by balls may be fed directly to render or it may be combined with descriptor files produced by other Raster3D utilities.

    EXAMPLES

    To describe a simple space-filling model coloured by residue type: 
    cat mycolours.pdb protein.pdb | balls | render > mypicture.png
    To include a pre-selected view matrix with the same model: 
    cp view1.matrix setup.matrix 
cat mycolours.pdb protein.pdb | balls | render > mypicture.png
    To prepend header records describing a pre-selected scale and view: 
    cat mycolours.pdb protein.pdb | balls -h > balls.r3d 
cat header.r3d balls.r3d | render > mypicture.png

    OPTIONS

    -h
    Suppress header records in output. By default balls will produce an output file which starts with header records containing a default set of scaling and processing options. The -h flag will suppress these header records so that the output file contains only sphere descriptors. This option is useful for producing files which describe only part of a scene, and which are to be later combined with descriptor files produced by other programs.

    DESCRIPTION

    The input to balls consists of a single text file containing colour information and atomic coordinates in PDB data bank format. Coordinates are output as Raster3D descriptor records with colours and sphere radii assigned according to the COLOUR records described below. By default atoms are assigned CPK colours.

    By default the output file contains a set of header records as required by the render program. The header is constructed to include a TMAT matrix corresponding to the transformation matrix contained in file setup.matrix (if it exists), or to the Eulerian angles contained in file setup.angles (if it exists).

    Colours are assigned to atoms using a matching process, using COLOUR records prepended to the input PDB file. Raster3D uses a pseudo-PDB record type with COLO in the first 4 columns:

    Columns Contents
    1 - 4 COLO
    7 - 30 Mask (described below)
    31 - 38 Red component
    39 - 46 Green component
    47 - 54 Blue component
    55 - 60 van der Waals radius in Angstroms
    61 - 80 Comments
    Note that the Red, Green, and Blue components are in the same positions as the X, Y, and Z components of a PDB ATOM or HETA record, and the van der Waals radius goes in place of the Occupancy. The Red, Green, and Blue components must all be in the range 0 to 1.

    The Mask field is used in the matching process as follows. First the program reads in and stores all the ATOM, HETA, and COLOUR records in input order. Then it goes through each stored ATOM/HETA record in turn, and searches for a COLOUR record that matches the ATOM/HETA record in all of columns 7 through 30. The first such COLOUR record to be found determines the colour and radius of the atom.

    In order that one COLOUR record can provide colour and radius specifications for more than one atom (e.g., based on residue or atom type, or any other criterion for which labels can be given somewhere in columns 7 through 30), the # symbol is treated as a wildcard. I.e., a # in a COLOUR record matches any character found in the corresponding column in an ATOM or HETA record. All other characters must match exactly. Note that the very last COLOUR record in the input should have # symbols in all of columns 7 through 30 in order to provide a colour for any atom whose ATOM/HETA record fails to match any previous COLOUR record. This idea of matching masks for colour specifications is due to Colin Broughton.

    Several files of COLOUR records, including one based on Bob Fletterick's ``Shapely Models'' and another mimicking CPK model parts, are provided as samples.

    ENVIRONMENT

    The files setup.matrix and setup.angles, if they exist, affect the header records produced by balls.

    AUTHORS

    Originally written by David J. Bacon and Wayne F. Anderson. Extensions and revisions by Ethan A Merritt.

    Back to top Raster3D homepage Raster3D_3.0-2/./html/rgbmap_black.html0000664000471100047110000010151411327673235017572 0ustar merrittmerritt Raster3D_3.0-2/./html/rgb_white.jpeg0000664000471100047110000100435111327673235017123 0ustar merrittmerrittÿØÿàJFIFY,ÿþRRaster3D sample colors for colorpicker ÿÛC     ÿÛC  ÿ¸"ÿÄ ÿÄÿÚ ½¼ÿÍŠZüRMi]ù=R©kóîºHûÌÌØ %»ÅIF™ìļŦ¿¬m椛Žðf¡»Iâ€Kñ›t»e±?o÷õk¬G±Ìij3ÌÌK31,ÌÄ ïbè%'ÎM?Ô¨¿r™&Oª|ù¥DøS¤Ù4’$óü¢¾‰<ËåWzW–f%™˜–fbY™‰ff%™˜–fbY™‰ff%™˜–fbY™‰ff%™˜–fbY™‰ff%™˜–fbY™‰k’nÎ|%>;T¿}ç¹*Ûi5=Òq{E½éEìt’OÅábLµºoë OgïªQ@Mzž=û_2Ñk5IðJÙHˆì\uoÂDßoï,½¯ÈÔÒ¿U¸h®ôu5×hú–(r•=iÑ©vÔ͗ŇZÆk±ÙÏ ÔH%§þì 97y®Húdfͺ±ŠFˆ;?¶ e§ â“ [H™›#>H6m m┹ÄÑz%ù«Aè—ëêWš›â3ôÙ7ª‡|ó)WÉ[ùÄtÈ„V@YÝîE0Hæ^ÛéØö™¯xÀËš“á™5–ó®”bÁ_ E›-l¬Œ³Âõ\å¢z«ÛJÖôKs8¢"F,™kW.Òãìºó38[]Ø„¸úºçd“v¾§£©sçípG©í–T²Zøƒ¬²ÂHràs^& ¾ÛÎó™§ûG@Tý«8þ,o:ò]!g²æI!<ôÚ6©6€™bç¥eŸïhéIÒç‹Òx.µ)õTïÅ÷Ó)P·N’¢ ëNÔ­‰.ÄM&ÌÈ‚Fú‡lÓ‘²‹zjbñ>þêæS]'˜îT“Ã@lÕ;he 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    RENDER

    SYNOPSIS

    Render is the central image-rendering program of the Raster3D molecular graphics package. Render reads an ascii file consisting of several header lines followed by individual object descriptors. The objects are rendered using a fast Z-buffer algorithm. Output is to stdout [or optional file] in the form of a pixel image with 24 bits of color information per pixel. The default output file format is an PNG image sent to stdout. Additional image file types may be optionally included during installation of the Raster3D package.

    Usage: 
       input from stdin; output mode controlled from command line 

     render                        PNG image to stdout
     render -avs  [outfile]        AVS image to outfile (defaults to stdout)
     render -png  [outfile]        PNG image to outfile (defaults to stdout)
     render -jpeg [outfile]        JPEG image to outfile (defaults to stdout)
     render -sgi  [outfile]        output to SGI libimage file (defaults to render.rgb)
     render -tiff [outfile]        output to TIFF file (defaults to render.tif)
    Options: 
       these over-ride contents of input stream header records 

    -aa                   use anti-aliasing (SCHEME 4)
    -alpha                alpha channel in output image (SCHEME 0)
    -bg COLOR             set background, COLOR is black, white or #RRGGBB
    -debug                verbose output while running
    -draft                no anti-aliasing (SCHEME 1)
    -fontscale FF         multiplier for PostScript label fonts
    -gamma GG             apply gamma correction GG to output image
    -invert               invert y axis
    -labels               render embedded labels to the output file as well
    -quality QQ           0 < QQ < 100   jpeg compression parameter (default 90)
    -[no]shadow	          enable or disable shadowing
    -size HHHxVVV         specify size of output image in pixels
    -transparent          same as -alpha (SCHEME 0)
    -zoom ZZ[%]           rescale image by a factor of ZZ

    MORE INFORMATION

    Examples Options Description Header Records
    Sample Header Object Types Comments File Indirection
    Sample Data Stream Error Messages Increasing Array Sizes
    Authors

    EXAMPLES

    Render a simple space-filling model coloured by residue type: 
        cat mycolors.pdb protein.pdb | balls | render > mypicture.png
    Display the same picture on an X-windows display directly using ImageMagick: 
        cat mycolors.pdb protein.pdb | balls | render | display png:-
    Render and display the same picture using the SGI libimage format: 
        cat mycolors.pdb protein.pdb | balls | render -sgi picture.rgb 
    ipaste picture.rgb
    Render a stick-figure model of a cofactor jointly with a ribbon model of a protein. Note that the header records are generated by the ribbon command in this case; the -h flag suppresses generation of a second set of header records in the rods command. The ImageMagick convert command is used to save the resulting image as a TIFF file. 
        ribbon -d4 protein.pdb > ribbon.r3d 
    cat colors.pdb cofactor.pdb | rods -bs -h > cofactor.r3d 
    cat ribbon.r3d cofactor.r3d | render | convert png:- picture.tiff
    If TIFF support has been built directly into Raster3D, then the previous command can be modified to produce a TIFF file without conversion: 
        cat ribbon.r3d cofactor.r3d | render -tiff picture.tiff

    OPTIONS

    -aa
    Force anti-aliasing (SCHEME 4) regardless of the scheme specified in the file header
    -alpha
    Force output of transparency information (SCHEME 0) regardless of the scheme specified in the file header. This only works if the output format supports an alpha channel (AVS, TIFF, but not JPEG). Note that this turns off anti-aliasing. This option can be used to produce an image with a transparent background.
    -bg white|black|#RRGGBB
    Set background color. #RRGGBB is a hexadecimal representation of the color components.
    -draft
    Turn off anti-aliasing to increase rendering speed.
    -fontscale XX
    Only meaningful in conjunction with the -labels option. Modifies the interpretation of font sizes during label processing. If -fontscale is not specified, the program next looks for an environmental variable FONTSCALE. If neither a command line value or an environmental variable is found, the program defaults to -fontscale 3.0, which generates PostScript labels that are approximately the nominal font size when printed at 300 dpi.
    -help
    Print summary of options.
    -gamma GG
    Apply gamma correction to output image. Gamma > 1 makes it lighter; gamma < 1 makes it darker.
    -invert
    Invert the image top-to-bottom. This could be necessary if you are using some odd viewing program.
    -jpeg
    Only if compiled with -DJPEG_SUPPORT. By default render will produce an AVS-compatible image on stdout. The -jpeg flag will cause it to output a JPEG image stream to stdout instead.
    -labels
    Process labels (object types 10,11,12) and embed them in the output image. The text rendering is done via libgd, so this option only works from png or jpeg output.
    -quality NN
    Only meaningful in conjunction with the -jpeg option;
    -size HHHxVVV
    Override the image size parameters (NTX,NTY,NPX,NPY) in the file header and produce an output image that is exactly HHH pixels in the horizontal and VVV pixels in the vertical.
    -sgi [filename.rgb]
    Only if compiled with -DLIBIMAGE_SUPPORT. The -sgi flag will cause render to output an SGI libimage style *.rgb file instead. In this case default output is to the file render.rgb, but specifying a file on the command line will override this default. sets the output image quality parameter. Allowable values range from 1-100 (default = 90).
    -tiff filename.tiff
    Only if compiled with -DTIFF_SUPPORT. The -tiff flag will cause render to output a TIFF image to the specified file.
    -transparent
    (same as -alpha) Force output of transparency information. This only works if the output format supports an alpha channel (AVS, PNG, TIFF, but not JPEG).
    -zoom ZZ[%]
    Modifies the scale factor TMAT(4,4) in the header records. This does not change the overall dimensions of the image, just the size of the objects within the image. ZZ > 1 will make the objects appear larger, ZZ < 1 will shrink them. If the ZZ is is given as a percentage, then ZZ > 100% enlarges and ZZ < 100% shrinks.

    DESCRIPTION

    The input to render consists of a single text file containing everything necessary to prepare the image of a scene consisting of coloured spheres, cylinders and triangles. The header records contain information global to the scene being rendered. The header records are followed by individual object records containing coordinate and color specification for the objects in the scene. The surface shading of primitive objects (spheres, cylinders, and simple triangles) is calculated analytically. Sequential triangles forming a ribbon-like chain are rendered by a more complex algorithm which produces the appearance of a a smoothly-shaded surface rather than a faceted one [ref: Merritt & Murphy].

    HEADER RECORDS

    The required header records of a render input file are described below. Except where noted, each item is on a line by itself in free format. The names are of variables in the program source code.
    TITLE
    Anything you like, up to 80 characters.
    NTX,NTY
    Number of "tiles" in each direction. (The image is rendered piecemeal by dividing it into an array of equal size rectangular tiles.) The width of the output image in pixels is NTX*NPX by NTY*NPY. The speed of the program is sensitive to the number of tiles. However, as a convenience you can set NPX and NPY to zero and use NTX, NTY to provide the net size of the output image in pixels. In this case the program will choose the number of tiles itself so that you don't have to worry about it.
    NPX,NPY
    Number of computing pixels per tile in each direction. Maximum = 36 (MAXNPX, MAXNPY in render.f). If you set NPX and NPY to zero, the program will use NTX and NTY as the net size of the image in pixels.
    SCHEME
    Pixel averaging (anti-aliasing) scheme. Anti-aliasing reduces the jaggedness of edges at the cost of additional computation. If you are going to matte your images against an externally generated background, use scheme 0 (matting and anti-aliasing do not mix well).
    Scheme 0
    no anti-aliasing, include alpha blend channel in output image
    Scheme 1
    no anti-aliasing, no alpha channel
    Scheme 2
    anti-alias by averaging 2x2 computing pixels for each output pixel
    Scheme 3
    anti-alias by averaging 3x3 computing pixels for each 2x2 output pixels (obsolete - use scheme 4 instead)
    Scheme 4
    anti-alias as in scheme 3, but header specifies final raster size rather than computing raster size

    (i.e. schemes 0, 1, and 4 produce a NTX*NPX by NTY*NPY pixel image; scheme 3 produces a (2/3)NTX*NPX by (2/3)NTY*NPY image). Scheme 3 requires that NPX and NPY be divisible by 3. Schemes 2 and 4 require that NPX and NPY be divisible by 2.
    Images can be previewed using scheme 1 for greater speed, and re-rendered with anti-aliasing scheme 4 with no change in the output image size. No changes to NTX, NTY, NPX, NPY are required in this case.
    BKGND
    Background colour (red, green, and blue components, each in the range 0 to 1).
    SHADOW
    T to calculate shadowing within the scene, F to omit shadows
    IPHONG
    Phong power (e.g., 25) for specular highlights. A smaller value results in a larger spot.
    IPHONG = 0 disables specular highlighting and all processing of ribbon triangles
    STRAIT
    Straight-on (secondary) light source contribution (e.g., 0.15). The primary light source contribution (see also SOURCE below) is given by PRIMAR = 1 - STRAIT.
    AMBIEN
    Ambient illumination contribution (e.g., 0.05). Increasing the ambient light will reduce the contrast between shadowed and non-shadowed regions.
    SPECLR
    Specular reflection contribution (e.g., 0.25).
    The diffuse reflection quantity is given by DIFFUS = 1 - (AMBIEN+SPECLR). Ambient and diffuse reflections are chromatic, taking on the specified colour of each object, whereas specular reflections are white.
    EYEPOS
    You can think of the image produced by render as corresponding to a photograph taken by a camera placed a certain distance away from the objects making up the scene. This distance is controlled by the EYEPOS parameter. EYEPOS = 4 describes a perspective corresponding to a viewing distance 4 times the narrow dimension of the described scene. EYEPOS = 0 disables perspective.
    SOURCE
    Primary light source position (e.g., 1 1 1). This is a white light point source at infinite distance in the direction of the vector given (see note on co-ordinate convention below). The secondary light source is always head-on. Only the primary light source casts shadows.
    TMAT
    Homogeneous global transformation for input objects, given as a 4x4 matrix on 4 lines just as you would write it if you intended it to be a postfix (suffix) operator. The upper left 3x3 submatrix expresses a pure rotation, the lower left 1x3 submatrix gives a translation, the upper right 3x1 submatrix should be zero (otherwise extra perspective is introduced), and the lower right scalar (h) produces global scaling. Note that the scale factor h ends up being applied as an inverse; i.e. a larger value of h will result in shrinking the objects in the picture. Input coordinate vectors [x  y  z] are extended with a 1 to make them homogeneous, and then post-multiplied by the entire matrix; i.e. [x' y' z' h'] = [x y z 1][TMAT], then the ultimate co-ordinates are [x" y" z"] = (1/h')[x' y' z'].
    INMODE
    Object input mode (1, 2, or 3), where mode 1 means that all objects are triangles, mode 2 means that all objects are spheres, and mode 3 means that each object will be preceded by a record containing a single number indicating its type. The Raster3D programs use only mode 3.
    INFMT or INFMTS
    Object input format specifier(s). For object input modes 1 and 2, there is just one format specifier INFMT for the corresponding object type, while for mode 3, there are three format specifiers INFMTS on three lines. The first describes the format for a triangle, the second for a sphere, and the third for a cylinder. Each format specifier is either a Fortran format enclosed in parentheses, or a single asterisk to indicate free-format input.

    SAMPLE HEADER 

    My picture. (describes a 1280 x 1024 pixel anti-aliased image) 
80 64 	  tiles in x,y             (or set these to 1280 1024)
16 16     pixels (x,y) per tile    (and set these to 0 0)
4 	  anti-aliasing level 4; 3x3->2x2 
0 0 0 	  black background 
F 	  no shadows cast 
25 	  Phong power 
0.25 	  secondary light contribution 
0.05 	  ambient light contribution 
0.25 	  specular reflection component 
4.0 	  eye position 
1 1 1 	  main light source position (from over right shoulder) 
1 0 0 0   view matrix describing input coordinate transformation 
0 1 0 0 
0 0 1 0 
0 0 0 0.6 no translation; enlarge objects in picture by 66% (1/.6)
3 	  mixed objects 
* 	 (free format triangle and plane descriptors) 
* 	 (free format sphere descriptors) 
* 	 (free format cylinder descriptors)

    OBJECT TYPES

    cylinder (flat) cylinder (round) global properties glow light
    isolation labels material properties plane
    quadric surface sphere surface normals terminate properties
    triangle vertex colors vertex transparency  
    Object type 1
    triangle
    x1, y1, z1, x2, y2, z2, x3, y3, z3, red, green, blue

    Object type 2
    sphere
    x, y, z, radius, red, green, blue

    Object type 3
    round-ended cylinder
    x1, y1, z1, R1, x2, y2, z2, R2, red, green, blue
    (R1 is the cylinder radius, R2 is currently ignored).

    Object type 4
    not used

    Object type 5
    flat-ended cylinder
    x1, y1, z1, R1, x2, y2, z2, R2, red, green, blue
    (R1 is the cylinder radius, R2 is currently ignored).

    Object type 6
    plane
    x1, y1, z1, x2, y2, z2, x3, y3, z3, red, green, blue

    Object type 7
    explicit surface normals at vertices of preceding triangle
    u1, v1, w1, u2, v2, w2, u3, v3, w3
    Explicit vertex normals for preceding triangle object. This object must directly follow the triangle object (see also object type 17). The intended use of this object type is to allow description of arbitrary molecular surfaces in terms of a triangular mesh.

    Object type 8
    material properties
    These values override the specification of lighting and specular highlighting in the header records, allowing some objects to have different surface properties from the rest. The specified values will apply to all subsequent objects until an object of type 9 is encountered. The parameters are read in free format from the next line of the input stream:
    MPHONG
    value >= 0 overrides the global Phong parameter for specular highlighting
    MSPEC
    value >= 0 overrides the global specular scattering contribution
    SR,SG,SB
    RGB triple specifying color of reflected light (by default all reflections are white), a negative value for any component will default to the base colour component of the object being rendered
    CLRITY
    (floating point value between 0.0 and 1.0) The degree of transparency for this material; 0.0 indicates an opaque surface and 1.0 indicates a purely transparent one.
    OPTS(4)
    four additional fields are reserved for future expansion of the material properties list; these must be present. The first two fields control alternative algorithms for rendering transparent objects:
    OPT(1) = 0 render all outward-facing layers of a transparent material, even if they occlude each other
    OPT(1) = 1 render only the "top" outward-facing surface of transparent material
    OPT(1) = 2 render both the outward- and inward-facing surface of transparent spheres and cylinders
    OPT(2) specifies how net transparency varies as a function of surface normal.
    OPT(2) = 0 empirical function that looks best to me
    OPT(2) = 1 faster empirical function
    OPT(2) = 2 exponential function based on theory (slower)
    OPT(2) = 3 ignore surface normal (transparent objects look flat)
    The fourth field is non-zero to signal that additional modifier records will follow immediately. Each modifier record must constitute a single line, and OPT(4) states how many of these there will be. For example
    OPT(4) = 2 means that the next two lines contain additional material modifiers
    Object type 8 modifiers
    Additional modifiers to MATERIAL descriptors (type 8) are now supported. Each modifier record must constitute a single line of input, and the total number of such modifier lines must be specified in the final parameter of the MATERIAL record. Modifiers currently supported include SOLID and BACKFACE records, as shown in the following example of a 2- sided material that is solid red on one side and solid blue on the other side: 
    # Here is an example of specifying a double sided material
# The MATERIAL record itself specifies an opaque material with PHONG
# value to 25 and specular parameters taken from the header records,
# and says that there are two following modifer lines.
# The SOLID modifier gives an RGB color triple that over-rides colors on
# subsequent objects.
# The BACKFACE modifier specifies a separate RGB color for the other side 
# of this material, and sets the Phong control parameter and specular
# component of this surface to zero (i.e. it's a matte blue surface).
8
20. -1.   1. 1. 1.   0.0    0 0 0 2
SOLID     1.0 0.0 0.0
BACKFACE  0.3 0.3 1.0   0 0
    Here is the complete list of modifiers currently available, and their parameters 
        SOLID       	RED GREEN BLUE
    BACKFACE    	RED GREEN BLUE MPHONG MSPEC
    FRONTCLIP   	ZFRONT
    BACKCLIP		ZBACK
    BOUNDING_COLOR	RED GREEN BLUE
    BOUNDING_PLANE	BPTYPE X Y Z Xnorm Ynorm Znorm
    ORTEP_LIKE    	used to create bounding planes of ellipsoids
    See elsewhere for more information on clipping planes and bounding planes.
    Object type 9
    terminate special properties
    Terminates previous set of special material properties (object type 8) or isolation from TMAT transformation (object type 15). The rest of this record is ignored, so object type 9 may also be used as a comment record. It is preferable, however, to begin pure comments with '#' rather than '9'.

    Object types 10-12
    Label descriptors
    Version 3.0 supports rendering labels via the libgd library used to produce png or jpeg output images. Object types 10, 11, and 12 are used to specify labels. Here is an example: 
            # Force the label coordinates to be interpreted as screen coords
        # (obviously you wouldn't do this if you want the label to get the
        # same translation/rotation/scaling as other objects do)
        15
        # Choose a font
        10
        "Times-Italic" 12. "Center-align"
        # specify a label 
        11
        0.0 0.45 0.0    1.0 0.0 0.0
        I am a red title centered at the top of the image
        # Terminate isolation from coordinate transformation
        9
    Object type 10 
    "Font specifier" size  "alignment"

    Legal fonts specifiers are subject to the details of label processing implementation. In the context of processing by libgd,
    fontname is any font name recogized by libgd,
    size is the font size in points (assuming eventual printing at 300 dpi),
    alignment is either "Right-align", "Left-align", "Center-align", or "Offset" (only the first character is checked).
    The default is "Times" 10 "Left-align".

    Object type 11
    [XYZ] [RGB]
    Label text

    (see r3dtops for details of label text processing and special characters.

    Object type 12
    reserved (single line of text)

    (If you are developing a higher-level application that will pass labels to Raster3D for rendering, please contact me so that we can make sure the protocols are compatible -EAM).

    Object type 13
    Glow light source
    This is a colored, non-shadowing, light source with finite [x y z] coordinates and a limited range of illumination. Control parameters are read in free format from a single line of input following the line specifying the object type.
    GLOWSRC(3)
    [x y z] coordinates of light source
    GLOWRAD
    limiting radius of light source (see GOPT)
    GLOW
    fractional contribution (0.0 - 1.0) of glow light to total lighting model
    GOPT
    (integer 0/1/2/3/...) - controls functional form in which limiting radius is applied [under development]
    GPHONG
    Phong parameter controlling specular highlights from glow light source
    GLOWCOL(3)
    RGB triple specifying color of glow light source

    Object type 14
    quadric surface
    x, y, z, limiting_radius, red, green, blue, A, B, C, D, E, F, G, H, I, J
    Quadric surfaces include spheres, cones, ellipsoids, paraboloids, and hyperboloids. The motivation for this code was to allow rendering thermal ellipsoids for atoms, so the other shapes have not been extensively tested. A quadric surface is described by 10 parameters (A ... J). Although these parameters are sufficient to describe a quadric surface located anywhere, for efficiency during rendering it is also useful to know the center and a bounding sphere. So by convention we require that (A...J) describe a surface centered at the origin, and add additional parameters x, y, z to add a translation component. Therefore a quadric surface descriptor to render has the 17 parameters listed above.

    The surface itself is the set of points for which Q(x,y,z) = 0 where

    Q(x,y,z) = Ax2 + By2 + Cz2 + 2Dxy + 2Eyz + 2Fzx + 2Gx + 2Hy + 2Iz + J

    Points further from the origin (prior to translation!) than the limiting radius are not rendered.

    Object type 15
    begin isolation from TMAT transformation
    Objects following this descriptor are interpreted as being in an absolute coordinate system centered at the origin and having unit extent in X, Y, and Z. If the image is square, the coordinates run from -0.5 to +0.5 on both X and Y. If the image is rectangular, coordinates run from -0.5 to +0.5 on the shorter dimension. The rotation and translation described by the TMAT matrix is not applied. This isolation from TMAT applies to subsequent objects until an object of type 9 is encountered.

    The coordinate system used following object type 19 is similar except that the horizontal and vertical scales are treated separately, so the the point [-.5,+.5] is always at the top left corner. In both figures below the blue cross is drawn at coordinates [+0.5,+0.3].
    Coordinate system defined by object 15 Coordinate system defined by object 19

    Object type 16
    Global properties
    Object type 16 is always followed by a single record that affects the rendering of the entire scene. The only global properties supported at the moment are listed below. FOG allows depth-cueing using either a linear or an exponential model of fog density. A record simply consisting of the keyword FOG will produce reasonable depth-cueing (linear decrease in intensity front closest object to farthest object). If you need to control the depth-cueing indepently from the specific rendered objects in a scene (i.e. to keep the depth-cueing consistent between frames of an animation) then you should specify explicit values for fogfront, fogback and fogden. 

    FOG        fogtype fogfront fogback fogden
    fogtype
    0 = linear multiplier = fogden * (fogfront - Z) / (fogfront - fogback)
    1 = exponential multiplier = 1. - exp( -fogden * (fogfront - Z) / (fogfront - fogback) )
    fogfront
    0 = Z coord of front object, else fraction of front clipping plane
    fogback
    0 = Z coord of back object, else fraction of rear clipping plane
    fogden
    (see equations for linear and exponential models controlled by fogtype); fogden=0.0 will default to some reasonable value

    BACKCLIP   zback
    zback
    Z coord of rear clipping plane for all objects; in original units of original coordinate system, but relative to the center of the transformed coordinate system. That means if you are working in PDB coordinates, then everything more than zback Angstroms behind the center is clipped. 
    FRONTCLIP  zfront
    zfront
    Z coord of front clipping plane for all objects; in original units of original coordinate system, but relative to the center of the transformed coordinate system. That means if you are working in PDB coordinates, then everything more than zfront Angstroms in front of the center is clipped. 
    ROTATION	Matrix
    Matrix
    3x3 rotation matrix applied by post-multiplication after the coordinate transformation in TMAT. This is the transpose of the equivalent rotation if it were specified in TMAT. It applies to all following coordinates in the input stream. 
    TRANSLATION	X Y Z
    X Y Z
    3 element translation applied after the coordinate transformation in TMAT. It applies to all following coordinates in the input stream.

    Object type 17
    explicit coloring at vertices of preceding triangle or cylinder
    R1 G1 B1 R2 G2 B2 R3 G3 B3
    Normally a triangle is colored uniformly in the color specified by the RGB triple in the TRIANGLE record itself. Using this additional object, however, you can specify a separate color for each vertex of the triangle. Points in the interior of the triangle are colored by interpolation using the vertex colors. This is commonly used in conjunction with explicit vertex normals (object type 7) to describe a smooth surface in terms of a triangular mesh. In this case the component triangles of the surface are described by three successive objects of types 1, 7, and 17. (The ordering 1, 17, 7 is also acceptable).

    As of version 2.4j this mechanism may also be used to interpolate colors along the length of a cylinder. In this case the third RGB triple is ignored.

    Object type 18
    explicit transparency at vertices of preceding object
    Trans1 Trans2 Trans3
    Normally an object is transparent only if it belongs to a trasparent material. Using this additional object, however, you can specify a separate degree of transparency at each vertex of an object. The transparency at points in the interior of the object are then determined by interpolation. All three values (Trans1 Trans2 Trans3) are required; Trans3 is ignored for a cylinder, Trans2 and Trans3 are both ignored for a sphere.

    Object type 19
    begin isolation from TMAT transformation
    Similar to Object type 15, except that the coordinate scale along both x and y always runs from -0.5 to +0.5, regardless of the aspect ratio of the rendered image.

    Object type 0
    force end of input stream (optional)
    Further records in input file will not be read.

    COMMENTS

     At any point in the input stream to render where an object descriptor would be legal, it is also legal to insert a line beginning with the `#' character. In this case the line is ignored, and may be used as a comment. Earlier versions of the program recommended using object type 9 as a comment delimiter, but this has the potential disadvantage of prematurely terminating the scope of a special material.

    FILE INDIRECTION

     At any point in the input stream to render where an object descriptor would be legal, it is also legal to insert a line beginning with `@'. In this case the remainder of the line is interpreted as the name of a file from which further input is taken. This mechanism makes it possible to re-use standard objects in multiple rendered scenes, e.g. a set of bounding planes or standard definitions of material properties. When input from this level of file indirection is terminated by encountering an object descriptor of type 0, control returns to the previous input stream. Multiple levels of file indirection are possible.

    The requested file is first searched for relative to the current directory. If this search fails, the file is searched for relative to the directory specified by the environmental variable R3D_LIB. Typically this would be set via a command such as 

     
csh/tcsh:    setenv R3D_LIB /usr/local/src/raster3d/materials
sh/ksh:      R3D_LIB=/usr/local/src/raster3d/materials; export R3D_LIB

    SAMPLE INPUT DATA FOLLOWING HEADER

    The following records describe a single red triangle and a single blue sphere. The blue sphere is affected by whatever material descriptor is in the file material1.r3d 
    1
-.1 0. 0.     .1 0. 0.     0. -.2 0.5         1.0 0.0 0.0
@material1.r3d
2
0.3 0.3 0.0         0.1                       0.0 0.0 1.0
9 End material1
0

    ERROR MESSAGES
    Possible shadowing error NSXMAX = xxx
    This is usually caused by an object which extends far out of the field of view, for example a plane surface that extends to infinity. In most cases the shadowing "error" refers to a shadow which lies outside of the image entirely.

    INCREASING THE ARRAY SIZES IN RENDER:

    As of Version 3.0, this should no longer be necessary. Arrays are expanded dynamically.

    AUTHORS

    Originally written by David J. Bacon. Extensions, revisions, and modifications by Ethan A Merritt.
    Back to top Raster3D homepage Raster3D_3.0-2/./html/r3d_obj15.gif0000664000471100047110000000751411327673235016464 0ustar merrittmerrittGIF89aB¾öF<<˜¨À‰u ¬`ÁU'éB->ËÖHXíìÃ-h {€ º_ÀT@h×1ü†½øø¶ó¥>¦}.x ݼHÖ™@†…GaF!ÅÔÓÛã<]=Ûë»öfÎ. $È?Ø`¨W÷¾S[€dY‡|ÚÑuÜ50ž96ø%HXúháqÒv¡R2hNo(x\š#NXpƒˆÈž†-"Àoå¶×hì\·: ¢RŒ$R(60þø@(44 rãî I¥L2  !’fÂKä€Ã9éeŠ*°xål/Ú¶&K&ìÀ €™£ÀpB  œ ç$ž!aÕùæsVÊ X`C:,ÐÈÂ9Xúá“È Í)zX¢žfÆØ™…ìªlmžêÒQMÄŽ‰„Õ¥ªšJk`=.2À­µFׯk½ÆÈ”À²•j±5µŸÈëk{Íše^XÔJ(BX4Dì³0j‹”ÌàmYÇŽ«”È n /d -´ C šû-·nÚUÄê;¾þ&5ÐÀôˆF¼R¹ +Å/=Dܶþ6<ÓÃ+UqÆ-aìž?„CÄÈ0Ç2yœEá²G ‘Ć£<’ÊÏ)aÄ;!tSݽη=±ôÕF@qaÍRoDõgGõÒR<0q€\wÑײM1¶ËT<ý«Ú"±ýYTüÌ´Ua¾t{ ÀÑU[á2Ï._…ßsîµÑ"‘…ÏFh±ÅârCë8GvßÆÅ]ÌlòЛs>8€gŸ“úÖ¤—®Qç·E<äÉ®+{íý¤;?·ï¾^ë¾ÄäÁ'D{ñýôŽ|<º/òÎC|ôö@Oý:Ç_/õÚë÷w÷þûp>FßOÏð„›/A«ßŽøà7ï~Á§ÏüîÃß}ööóXÿë+Ù¡?íáO}èàú 8Ò/} < ù x= Ž‚Ô³ ø0=þ ƒÎÓ`÷è@0 °„çáò<@"O„Úsañ`x=…ý³¡ïhH=¢LÓ+¡w‡Cû w<ŒÞk—Dç-ÑuEœßK×Äåùð‡äkŸ§¸¹(æïX¬"ò¸è81Œó"ÁøC3ïŠm "ÅÔƒF€$lMjtŽ«TGãݱEn$:Ôk6}ì‡r/èçP:R ƒ  2ùP“gþÉ;A|a&€ÀpD¥zC¨BÌÀÀ#«°=vE"ÍçY$"w’§$ @€ 0¨)"H<JЂô M(<1ƒL¡¨Dú€†*‚™á±Ë ¤¹{’IžØ£gH=:M’NL œ 4ó,sÒ¤fÄY½FtsrÙG©ƒ$ 1ø@šÔ¡‚à@¨ëàÁbÀT¸¨c8j|Ò¡þ£~à•“TJÐ oF¢8ðSÇJÖ²šõ¬hM«ZÕU3é ¬k«\çzÖ¶F⦀Á pTLÕªCM‡»ŽÁŽÕ©é€jP±ŠŽ |@~¢t|ª€€!ëÀ @̪C$¨Áj NuäÀCšZõ€!µ«EPwP€eb´`m vËÛÞúö·À ®p‡K\X€¸ÈM®r‹{W¼R@5 2»YŒé³Õ½n:@«ÛҦ㴰UiÀ ] ±šIöÙO°Üö1§YhZ\1â¦"h@°Qõ Ȥ­'€E:ÒyÊv A9áûÍþ‰:øÁ­¨C; á ;X±¨àéÞ³S~É€CüN³Š}šóL/O0P@ÃÜüæsèKrÆx_˜ ÒYùžr—l*É lP‚Ú³ZÆœq2cßÛ¢€!päG}|M ëŸ0A0½ÉØÛÐx'Àh(ƒØÀþEqÔzµ¾s( 9@‰Œóåí ¢%°Ái>z¥HBÅž<0.• Áµ,à^@/)ŒfQYS0^ˆ b åv €ÈÀTà]B_ù ÀÀ(åA婹‚yA¦+ƒ¼à,À„®BÇ%Ÿò ÐAt‚wX&您Gþ³…ÂŒ (`éà%/¨þL¡3 ¨¨@;0ÐUAL·Ô3¶©I4¥Þô(8`¦M4€O˜aAvŠ¨ 'À@´Ò^™@£L€¾¤ 4@ЩLeÃnæµötéMlyd(vZY0ØŽP€ãTà ƒØA§aiëSJ ­j€Xäà,·©/˜h#;0ÐT ûžiÉ ZŸƒëÀpÂ’ƒ4÷Û3EGXttî +X¸Ð -›1çì F z‘™‡›æÿjˆ×Ñöõ) o©5×k~‚!Ý<¨m’y)nšÜþ ™½˜KÆ4qIOÖ{&ùÜÙâõ‡´Ö×Éz±Ÿ¾–@@¸T¬ ŽsL_¹—‡.ìÊñ?zGÔ‹vAâcJ=ªÐúbzųéáh0¦;`Ef§‰Ÿ5"—€> ÁõæÀ¢ÍauÛþ6/€8ý^½üt “×"¤  À‘ÁÉk0PP€D€èµ{>è#:¨û~f°£x3±AÓyÚw³ *ƒfÀ,04  zžæ `¿ár‚Éá%5Ð09‘Ãç:ì7)00;• €)€ ìDyŸqLþ|e‚öò¥cƒópG$Æ­—C¤×?¦´AAh?8¸9:8.Gè8Iè-C8BE8?K8M¨-SH7U-W¨6YØ,OCQè>[Ø5]ˆ,c(5eX,_XCa¨>gH4i,oh3qÈ+kØCmh>sˆ2ux+{È1}H+w¨Dy8>˜1¨*‡h1‰x*ƒèD…?ý÷E‹'…“¸F•(†§†E)‰ûs‰ä‰Š$Š´‰œø@©˜E)†B*‹Ø0¯è)hE¦˜A¤H„™è†¹…»¨‡¨È‰³¨(±¨0ÃI½†¿hˆÁˆEÇø&Å0ψGÉȆË(‰0(„òÔPþÕƒBXxxŸøƒÝƒ`Žð!Àéh. mT‹]ô¹.%ò* ‘UÓ°)ÐÞ…_p-Ä„"r˜EƒLŽã |rb !$ð÷ñ^°‘Í8ÿá_>)PKTf,À_x¤rY‹Á ’§é¨Iö•€B4©½ñÁUØc],Pö$ˆcá™D3#P?A"•†0( ]8!)Ô7i†ð{f Såf` ÙDü±)qDŽ7(˜‘‘iùð!S,0žE&.cÙþ•Q©}ã¦#}é}`ÀZÉá‘ ’v9./°³ +¢—Œ‰ës‰÷)Ž!T–ªâ4 ðVà eTùÒôŠ)“}r­äa’j#pÛá`R8‚œ‡Ê’"+g˜y™JRpzQOùpH&Ò{é†`*@‰šÍ¢0T`tþ±  Q™ÑgN̉D¾I7'°*p {°r) ûU-Ð) Fg™ˆÙ5ú¡&=_Q-ôñÎi1Nâp°F"„àœH¾³à;ŠA9.}Y7ŸÍ™ ö–™´¡õ¶©@<r_ðª¢öƒèá¢ú‰²6(š¢ÓaaB:¤DZ¤F QÐ!±q¤LÚ¤Nú¤ žÅ“`š§(6GpZÊ¥[Ú¥[¦] ¦bú¥f¦eê¥hª¦lº¦i:¦nª¦dz¦pê¦uŠ¦u:§`º§iʦ|ê¥@x:¨gê§}ª§…ú¦‰ª¨kš§qz§Œ:§tj§“J©mZ©’ ¦% L™Ð©žú© ª¢:ª¤Zª;Raster3D_3.0-2/./html/label3d.html0000664000471100047110000000121211502003264016446 0ustar merrittmerritt label3d - Raster3D package

    LABEL3D

    SYNOPSIS

    The label3d script is obsolete as of Raster3D version 3.0.
    • Use the -labels option of render instead.

    AUTHORS

    Ethan A Merritt.
    Back to top Raster3D homepage Raster3D_3.0-2/./html/rings3d.html0000664000471100047110000000375111327673235016543 0ustar merrittmerritt rings3d - Raster3D package

    RINGS3D

    SYNOPSIS

    rings3d searches through a PDB file looking for residues containing 5- or 6-membered rings, then produces a Raster3D output file of ring-filling triangles. 
    rings3d [-bases] [-protein] [-sugars]  < infile.pdb > outfile.r3d
    rings3d matches residue types from an internal list of residue and atom names. It will fail to find residues not in its list, and fail to recognize atoms with non-standard names.

    EXAMPLES

    render a DNA molecule with the bases filled in: 
     cat $R3D_LIB/dna.colours dna.pdb | rods -radius 0.05 > temp.1
 rings3d -bases < dna.pdb > temp.2
 cat temp.1 temp.2 | render -tiff dna.tiff

    OPTIONS

    -bases
    Fills in purine and pyrimidine rings from A C G T U residues.
    -protein
    Fills in sidechain rings of HIS PHE TRP and TYR residues.
    -sugars
    [This is the default] Fills in pyranose rings of GAL GLC NAG NGA MAN SIA residues.

    BUGS

    limited residue types
    The database of residue types should be kept externally, so you don't have to rebuild the program to add a new type.
    There should be an option to search for ring systems in un-recognized residue types.
    crinkled planes
    There should be an option to do a least-squares best plane through supposedly flat rings. Then again, seeing a crease in a "flat" ring may force people to consider whether their planarity restraints are tight enough.

    AUTHORS

    Ethan A Merritt.
    Back to top Raster3D homepage Raster3D_3.0-2/./html/r3d_examples.html0000644000471100047110000000456411502034474017550 0ustar merrittmerritt Raster3D examples

    Raster3D examples included in distribution kit


    Example 1

    Illustrates the use of material definitions to alter object properties, and file indirection via the search path defined in environmental variable R3D_LIB.

    Example 2

    A figure composed using the rods and balls utility programs.

    Examples 3, 4 and 5

    Worked examples of converting and combining Molscript and GRASP output files into a single Raster3D scene.

    Example 6

    Illustrates the use of command line options to render (new in version 2.5), including the use of an alpha channel to get a transparent background. This figure was generated using the command below.

    Example 7

    A labeled figure produced by the label3d script. The example script actually produces a stereo pair that shows labels positioned in three dimensions.

    Example 9

    A figure composed using the rastep utility program for handling thermal ellipsoids.

    render -size 162x192 -alpha -tiff r3d_example6.tiff < example6.r3d



    Example 8

    A stereo pair made by the stereo3d script.

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Ñ[\»œ¼?½ꎠóTùÇkæ¨VŽ{µzZEåÛ¼"¥TÄ}Áw]G]×´O?ýôý_ùÊW>:ŸÏÿ0_oôõvÇ˸Y@à—^zé¾½½½îÈ‘#®ªj]«­}ÁZ®ý½?–’+Xñ¯‚«bÕè‚uÚL­Ùu­cB¨–Ë%ÆÛÝÝÝðøãžúû"Ò›XÝ<˜`7|áÂ…G_~ùåÇ›¦¹ëðáÃ÷h½à|¼*\Ùt_¸^ÇÞe_´ô1ó˜™Û”R›Rjú¾/û¾oqm>ŸË—¿üå¿ò /üG¸Ú³¾ÓM‚ –q³ÁˆXÌf³½ð ¿?N»#GŽür]×:ÅÎ0ô¤²7|©¿Îö/«Óêš÷U  ÉÌ܈H“RªSJE¡EĵBqöìÙǾþõ¯ÿÍ . rods - Raster3D package

    RODS

    SYNOPSIS

    rods is a preprocessor for ball-and-stick figures in the Raster3D molecular graphics package.

    rods [-h] [-b] [-radius R] [-Bcolor Bmin Bmax]
    rods reads a PDB coordinate file, including COLOUR records as described below, and produces a stream of Raster3D descriptor records on stdout. The file produced by rods may be fed directly to render or it may be combined with descriptor files produced by other Raster3D utilities.

    EXAMPLES

    To describe a simple bonds-only model coloured by residue type: 
    cat mycolours.pdb protein.pdb | rods | render > mypicture.png
    To render the same molecule as ball-and-stick: 
    cat mycolours.pdb protein.pdb | rods -b | render > mypicture.png

    OPTIONS

    -h
    Suppress header records in output. By default rods will produce an output file which starts with header records containing a default set of scaling and processing options. The -h flag will suppress these header records so that the output file contains only object descriptors. This option is useful for producing files which describe only part of a scene, and which are to be later combined with descriptor files produced by other programs.
    -b
    By default rods will describe bonds only; the -b flag will cause it to include spheres at the atom positions also, yielding a ball-and-stick representation.
    -radius R
    By default rods will draw bonds with a 0.2 Å cylindrical radius. The radius option allows you to change the cylindrical radius.
    -Bcolor Bmin Bmax
    Assign colors based on B values rather than from atom or residue types. Atoms with B <= Bmin will be colored dark blue; atoms with B >= Bmax will be colored light red; atoms with Bmin < B < Bmax will be assigned colors shading smoothly through the spectrum from blue to red.

    DESCRIPTION

    The input to rods consists of a single text file containing colour information and atomic coordinates in PDB data bank format. Coordinates are output as Raster3D descriptor records with colours and sphere radii assigned according to the COLOUR records described below. Ball-and-stick figures have atoms drawn at 0.2 * Van der Waals radius, connected by rods with a default 0.2 Å cylindrical radius. Atoms are connected if they lie closer to each other than 0.6 * the sum of their Van der Waals radii.

    By default the output file contains a set of header records as required by the render program. The header is constructed to include a TMAT matrix corresponding to the transformation matrix contained in file setup.matrix (if it exists), or to the Eulerian angles contained in file setup.angles (if it exists). Header records may be suppressed using the -h option.

    Colours are assigned to atoms using a matching process, using COLOUR records prepended to the input PDB file. If no COLOUR records are present in the input file, atoms will receive default CPK colors (C=grey, O=red, N=blue, S=yellow, P=green, other=magenta). Raster3D uses a pseudo-PDB record type with COLO in the first 4 columns:

    Columns Contents
    1 - 4 COLO
    7 - 30 Mask (described below)
    31 - 38 Red component
    39 - 46 Green component
    47 - 54 Blue component
    55 - 60 van der Waals radius in Angstroms
    61 - 80 Comments
    Note that the Red, Green, and Blue components are in the same positions as the X, Y, and Z components of an ATOM or HETA record, and the van der Waals radius goes in place of the Occupancy. The Red, Green, and Blue components must all be in the range 0 to 1.

    The Mask field is used in the matching process as follows. First the program reads in and stores all the ATOM, HETA, and COLOUR records in input order. Then it goes through each stored ATOM/HETA record in turn, and searches for a COLOUR record that matches the ATOM/HETA record in all of columns 7 through 30. The first such COLOUR record to be found determines the colour and radius of the atom.

    In order that one COLOUR record can provide colour and radius specifications for more than one atom (e.g., based on residue or atom type, or any other criterion for which labels can be given somewhere in columns 7 through 30), the # symbol is treated as a wildcard. I.e., a # in a COLOUR record matches any character found in the corresponding column in an ATOM or HETA record. All other characters must match exactly. Note that the very last COLOUR record in the input should have # symbols in all of columns 7 through 30 in order to provide a colour for any atom whose ATOM/HETA record fails to match any previous COLOUR record. This idea of matching masks for colour specifications is due to Colin Broughton.

    ENVIRONMENT

    The files setup.matrix and setup.angles, if they exist, affect the header records produced by rods.

    AUTHORS

    Ethan A Merritt
    Back to top Raster3D homepage Raster3D_3.0-2/./html/pdb_anisou.html0000664000471100047110000000705711327673235017320 0ustar merrittmerritt PDB format for ANISOU records

    ANISOU records in PDB standard form

    The ANISOU records present the anisotropic temperature factors.

    Record Format 

    COLUMNS        DATA TYPE       FIELD         DEFINITION                  
----------------------------------------------------------------------
 1 -  6        Record name     "ANISOU"                                  

 7 - 11        Integer         serial        Atom serial number.         

13 - 16        Atom            name          Atom name.                  

17             Character       altLoc        Alternate location indicator.                  

18 - 20        Residue name    resName       Residue name.               

22             Character       chainID       Chain identifier.           

23 - 26        Integer         resSeq        Residue sequence number.    

27             AChar           iCode         Insertion code.             

29 - 35        Integer         u[0][0]       U(1,1)                

36 - 42        Integer         u[1][1]       U(2,2)                

43 - 49        Integer         u[2][2]       U(3,3)                

50 - 56        Integer         u[0][1]       U(1,2)                

57 - 63        Integer         u[0][2]       U(1,3)                

64 - 70        Integer         u[1][2]       U(2,3)                

73 - 76        LString(4)      segID         Segment identifier, left-justified.

77 - 78        LString(2)      element       Element symbol, right-justified.

79 - 80        LString(2)      charge        Charge on the atom.

    Details

    * Columns 7 - 27 and 73 - 80 are identical to the corresponding ATOM/HETATM record.

    * The anisotropic temperature factors (columns 29 - 70) are scaled by a factor of 10**4 (Angstroms**2) and are presented as integers.

    * The anisotropic temperature factors are stored in the same coordinate frame as the atomic coordinate records.

    * ANISOU values are listed only if they have been provided by the depositor.

    Verification/Validation/Value Authority Control

    The depositor provides ANISOU records, PDB verifies their format.

    Relationships to Other Record Types

    The anisotropic temperature factors are related to the corresponding ATOM/HETATM isotropic temperature factors as B(eq), as described in the ATOM and HETATM sections.

    Example 

             1         2         3         4         5         6         7         8
12345678901234567890123456789012345678901234567890123456789012345678901234567890
ATOM    107  N   GLY    13      12.681  37.302 -25.211 1.000 15.56           N
ANISOU  107  N   GLY    13     2406   1892   1614    198    519   -328       N
ATOM    108  CA  GLY    13      11.982  37.996 -26.241 1.000 16.92           C
ANISOU  108  CA  GLY    13     2748   2004   1679    -21    155   -419       C
ATOM    109  C   GLY    13      11.678  39.447 -26.008 1.000 15.73           C
ANISOU  109  C   GLY    13     2555   1955   1468     87    357   -109       C
ATOM    110  O   GLY    13      11.444  40.201 -26.971 1.000 20.93           O
ANISOU  110  O   GLY    13     3837   2505   1611    164   -121    189       O
ATOM    111  N   ASN    14      11.608  39.863 -24.755 1.000 13.68           N
ANISOU  111  N   ASN    14     2059   1674   1462     27    244    -96       N

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0ustar merrittmerritt FUNCTION CCuij(UU,VV) C =============================================================== C Correlation coefficient between two (3x3) anisotropic C displacement matrices Uij and Vij. C See Merritt (1999) Acta Crystallographica D55, 1997-2004. C Return 0 if any of the tensors involved are NPD C =============================================================== REAL CCuij V3VINV REAL UU(3,3), VV(3,3), WW(3,3), UI(3,3), VI(3,3), WI(3,3) REAL DUI, DVI, DWI DUI = 1. / V3INV(UI,UU) DVI = 1. / V3INV(VI,VV) C Sylvester's criterion for NPD tensor IF (DUI.LE.0 .OR. UU(1,1).LE.0 & .OR. (UU(1,1)*UU(2,2)-UU(1,2)*UU(2,1)).LE.0) THEN CCuij = 0 RETURN ENDIF IF (DVI.LE.0 .OR. VV(1,1).LE.0 & .OR. (VV(1,1)*VV(2,2)-VV(1,2)*VV(2,1)).LE.0) THEN CCuij = 0 RETURN ENDIF CALL M3ADD(WI,UI,VI) DWI = V3INV(WW,WI) IF (DWI.LE.0 .OR. WW(1,1).LE.0 & .OR. (WW(1,1)*WW(2,2)-WW(1,2)*WW(2,1)).LE.0) THEN CCuij = 0 RETURN ENDIF CCuij = sqrt(sqrt(DUI*DVI)) & / sqrt(0.125*DWI) RETURN END FUNCTION CCuv(U,V) C =============================================================== C Wrapper for CCuij() C =============================================================== REAL CCuv, CCuij REAL U(6), V(6) REAL UU(3,3), VV(3,3) UU(1,1) = U(1) UU(2,2) = U(2) UU(3,3) = U(3) UU(1,2) = U(4) UU(2,1) = U(4) UU(1,3) = U(5) UU(3,1) = U(5) UU(2,3) = U(6) UU(3,2) = U(6) VV(1,1) = V(1) VV(2,2) = V(2) VV(3,3) = V(3) VV(1,2) = V(4) VV(2,1) = V(4) VV(1,3) = V(5) VV(3,1) = V(5) VV(2,3) = V(6) VV(3,2) = V(6) CCuv = CCuij(UU,VV) RETURN END FUNCTION Suv(U,V) C =============================================================== C Normalized correlation coefficient ("similarity") between two C anisotropic displacement vectors Uij and Vij. C See Merritt (1999) Acta Crystallographica D55, 1997-2004. C =============================================================== REAL Suv, CCuij REAL U(6), V(6) REAL UU(3,3), VV(3,3), Uiso(3,3), Viso(3,3), WW(3,3) REAL Ueq, Veq UU(1,1) = U(1) UU(2,2) = U(2) UU(3,3) = U(3) UU(1,2) = U(4) UU(2,1) = U(4) UU(1,3) = U(5) UU(3,1) = U(5) UU(2,3) = U(6) UU(3,2) = U(6) VV(1,1) = V(1) VV(2,2) = V(2) VV(3,3) = V(3) VV(1,2) = V(4) VV(2,1) = V(4) VV(1,3) = V(5) VV(3,1) = V(5) VV(2,3) = V(6) VV(3,2) = V(6) Ueq = (UU(1,1) + UU(2,2) + UU(3,3)) / 3. Veq = (VV(1,1) + VV(2,2) + VV(3,3)) / 3. DO I = 1,3 DO J = 1,3 WW(I,J) = VV(I,J) * Ueq / Veq Uiso(I,J) = 0 Viso(I,J) = 0 ENDDO ENDDO DO I = 1,3 Uiso(I,I) = Ueq Viso(I,I) = Veq ENDDO Suv_top = CCuij(UU,WW) Suv_bot = (CCuij(UU,Uiso) * CCuij(VV,Viso)) if (Suv_top.eq.0 .or. Suv_bot.eq.0) then Suv = 0 else Suv = Suv_top / Suv_bot endif RETURN END C ======================================================= C The rest of the file is just generic 3x3 matrix algebra C ======================================================= SUBROUTINE V3CROSS(B,C,A) C CROSS PRODUCT OF TWO VECTORS C ======================= REAL A(3),B(3),C(3) A(1)=B(2)*C(3)-C(2)*B(3) A(2)=B(3)*C(1)-C(3)*B(1) A(3)=B(1)*C(2)-C(1)*B(2) RETURN END C FUNCTION V3DOT(A,B) C DOT PRODUCT OF TWO VECTORS C ================ REAL A(3),B(3) V3DOT=A(1)*B(1)+A(2)*B(2)+A(3)*B(3) RETURN END C SUBROUTINE M3ADD(A,B,C) C A=B+C C ======================== REAL A(3,3),B(3,3),C(3,3) DO I=1,3 DO J=1,3 A(I,J) = B(I,J) + C(I,J) ENDDO ENDDO RETURN END C SUBROUTINE M3MUL(A,B,C) C A=B*C C ======================== REAL A(3,3),B(3,3),C(3,3),S DO I=1,3 DO J=1,3 S=0 DO K=1,3 S=S+B(I,K)*C(K,J) ENDDO A(I,J)=S ENDDO ENDDO RETURN END C FUNCTION V3INV(A,B) C INVERT A GENERAL 3X3 MATRIX AND RETURN DETERMINANT C A=(B)-1 C ====================== REAL A(3,3),B(3,3),C(3,3),D CALL V3CROSS(B(1,2),B(1,3),C(1,1)) CALL V3CROSS(B(1,3),B(1,1),C(1,2)) CALL V3CROSS(B(1,1),B(1,2),C(1,3)) D=V3DOT(B(1,1),C(1,1)) IF (ABS(D).LE.1.E-30) THEN V3INV=0.0 RETURN ENDIF DO I=1,3 DO J=1,3 A(I,J)=C(J,I)/D ENDDO ENDDO V3INV=D RETURN END C Raster3D_3.0-2/./rings3d.f0000664000471100047110000002645511327673235015066 0ustar merrittmerritt PROGRAM RINGS3D *------------------------------------------------------------------------------ * Program to set up input for RENDER by filling in 5- and 6-member rings * with triangles. * * EAM May 1999 - initial version * residue types are hard-wired in DATA statements * planes are not smoothed * EAM Nov 2008 - revise for use with TLSMD *------------------------------------------------------------------------------ implicit none c include 'VERSION.incl' c c I/O units and environmental control c integer input, output, noise parameter (input=5, output=6, noise=0) integer narg c integer iargc c external iargc character*64 options logical bflag, pflag, sflag, rflag c c Data arrays c integer MAXATOM, MAXCOL parameter (MAXATOM=10000, MAXCOL=1000) real rgb(3,MAXCOL), vdw(MAXCOL) real x(MAXATOM), y(MAXATOM), z(MAXATOM) integer resno(MAXATOM), color(MAXATOM) character*1 chain(MAXATOM) character*4 resname(MAXATOM), name(MAXATOM) c character*24 mask(MAXCOL),test character*80 card logical match c c General storage c integer i,j,n integer ncol, icol, nrings integer natm, iatm, jatm integer ind(10) integer ringsize real red,grn,blu C C Known residue types containing one or two rings C Each row contains a residue name (type) in the first entry C followed by up to 9 atom names which define the ring[s]. C A blank name terminates the list for this residue type. C C Five-membered rings (e.g. furanose) C connect atoms (1,2,5)(2,3,5)(3,4,5) C => atoms 1 and/or 4 can be out-of-plane, but not 2,3,5 C Six-membered rings (e.g. pyranose) C connect atoms (1,2,6)(2,3,5)(2,5,6)(3,4,5) C => atoms 1 and/or 4 can be out-of-plane, but not 2,3,5,6 C Nine-membered rings are assumed to be a conjugated ring system C C C To add a new residue type: c increase NTYPES by 1 c add row of atom names to type array c adjust start/end indices of protein/base/sugar flags c optional: add default colour record C integer NTYPES parameter (NTYPES=28) character*4 type( 10, NTYPES ) integer nhits( NTYPES ) integer p_start, p_end, b_start, b_end, s_start, s_end C C Default to solid color C integer DEFCOLS parameter (DEFCOLS=6) character*60 defcol(DEFCOLS) data defcol / & 'COLOUR########### A########## 0.501 0.501 1.000 2.00', & 'COLOUR########### C########## 1.000 0.398 0.063 2.00', & 'COLOUR########### G########## 1.000 0.101 0.101 2.00', & 'COLOUR########### T########## 0.501 1.000 0.501 2.00', & 'COLOUR########### U########## 0.501 1.000 0.501 2.00', & 'COLOUR######################## 0.800 0.800 0.800 2.00' & / c data type / & ' HIS',' CG ',' ND1',' CE1',' NE2',' CD2', ' ',' ',' ',' ', & ' PHE',' CG ',' CD1',' CE1',' CZ ',' CE2',' CD2',' ',' ',' ', & ' TYR',' CG ',' CD1',' CE1',' CZ ',' CE2',' CD2',' ',' ',' ', & ' TRP',' CZ2',' CH2',' CZ3',' CE3',' CD2',' CE2', & ' CG ',' CD1',' NE1', & ' GAL',' C1 ',' C2 ',' C3 ',' C4 ',' C5 ',' O5 ',' ',' ',' ', & ' NAG',' C1 ',' C2 ',' C3 ',' C4 ',' C5 ',' O5 ',' ',' ',' ', & ' NGA',' C1 ',' C2 ',' C3 ',' C4 ',' C5 ',' O5 ',' ',' ',' ', & ' GLC',' C1 ',' C2 ',' C3 ',' C4 ',' C5 ',' O5 ',' ',' ',' ', & ' MAN',' C1 ',' C2 ',' C3 ',' C4 ',' C5 ',' O5 ',' ',' ',' ', & ' MNG',' C1 ',' C2 ',' C3 ',' C4 ',' C5 ',' O5 ',' ',' ',' ', & ' SIA',' C2 ',' C3 ',' C4 ',' C5 ',' C6 ',' O6 ',' ',' ',' ', & ' RIP',' O4''',' C4''',' C3''',' C2''',' C1''',' ',' ',' ',' ', & ' +C',' N1 ',' C2 ',' N3 ',' C4 ',' C5 ',' C6 ',' ',' ',' ', & ' +T',' N1 ',' C2 ',' N3 ',' C4 ',' C5 ',' C6 ',' ',' ',' ', & ' +U',' N1 ',' C2 ',' N3 ',' C4 ',' C5 ',' C6 ',' ',' ',' ', & ' +A',' N3 ',' C2 ',' N1 ',' C6 ',' C5 ',' C4 ', & ' N7 ',' C8 ',' N9 ', & ' +G',' N3 ',' C2 ',' N1 ',' C6 ',' C5 ',' C4 ', & ' N7 ',' C8 ',' N9 ', & ' C',' N1 ',' C2 ',' N3 ',' C4 ',' C5 ',' C6 ',' ',' ',' ', & ' T',' N1 ',' C2 ',' N3 ',' C4 ',' C5 ',' C6 ',' ',' ',' ', & ' U',' N1 ',' C2 ',' N3 ',' C4 ',' C5 ',' C6 ',' ',' ',' ', & ' A',' N3 ',' C2 ',' N1 ',' C6 ',' C5 ',' C4 ',' N7 ',' C8 ',' N9 ', & ' G',' N3 ',' C2 ',' N1 ',' C6 ',' C5 ',' C4 ',' N7 ',' C8 ',' N9 ', & ' DC',' N1 ',' C2 ',' N3 ',' C4 ',' C5 ',' C6 ',' ',' ',' ', & ' DT',' N1 ',' C2 ',' N3 ',' C4 ',' C5 ',' C6 ',' ',' ',' ', & ' DU',' N1 ',' C2 ',' N3 ',' C4 ',' C5 ',' C6 ',' ',' ',' ', & ' DA',' N3 ',' C2 ',' N1 ',' C6 ',' C5 ',' C4 ',' N7 ',' C8 ',' N9 ', & ' DG',' N3 ',' C2 ',' N1 ',' C6 ',' C5 ',' C4 ',' N7 ',' C8 ',' N9 ', & ' PDC',' N1 ',' C2 ',' N3 ',' C4 ',' C5 ',' C6 ',' C9 ',' C8 ',' N7 ' & / c data p_start, p_end / 1, 4 / data s_start, s_end / 5, 12 / data b_start, b_end /13, 28 / c do i = 1, NTYPES nhits(i) = 0 enddo c bflag = .FALSE. pflag = .FALSE. sflag = .FALSE. rflag = .FALSE. narg = iargc() i = 0 100 continue i = i + 1 if (i.gt.narg) goto 199 call getarg( i, options ) if (options(1:2) .eq. '-b') then bflag = .true. else if (options(1:2) .eq. '-p') then pflag = .true. else if (options(1:2) .eq. '-s') then sflag = .true. else if (options(1:2) .eq. '-r') then rflag = .true. else goto 101 endif goto 100 c 101 continue write (noise,'(A)') & 'syntax: rings3d [-options] < infile.pdb > outfile.r3d' write (noise,'(A)') & ' -bases A/C/G/T/U DA/+A/etc' write (noise,'(A)') & ' -ribose sugar in A/C/G/T/U DA/+A/etc' write (noise,'(A)') & ' -protein HIS/PHE/TRP/TYR' write (noise,'(A)') & ' -sugars GAL/GLC/MAN/NAG/NGA/SIA' call exit(-1) 199 continue if (.not.bflag .and. .not.pflag .and. .not.rflag) sflag = .true. c write (noise,*) 'Raster3D rings3d program ',VERSION c c Read in colours first c ncol = 0 natm = 0 200 continue read(input,'(a80)',end=250) card if (card(1:4).eq.'COLO') then ncol = ncol + 1 if (ncol.gt.MAXCOL) then write(noise,*) 'Colour table overflow. Increase ', & 'MAXCOL and recompile.' stop 10 endif read(card,'(6x,a24,3f8.3,f6.2)') mask(ncol), & (rgb(i,ncol),i=1,3),vdw(ncol) elseif (card(1:4).eq.'ATOM'.or.card(1:4).eq.'HETA') then * Load default colors after any that were read in if (natm.eq.0.and.ncol.le.MAXCOL-DEFCOLS) then do i = 1,DEFCOLS ncol = ncol + 1 read(defcol(I),'(6x,a24,3f8.3,f6.2)') mask(ncol), & (rgb(j,ncol),j=1,3), vdw(ncol) enddo endif * Now we read in ATOM record natm = natm + 1 if (natm.gt.MAXATOM) then write(noise,*) 'Atom array overflow. Increase ', & 'MAXATOM and recompile.' stop 20 endif test = card(7:30) do icol = 1, ncol if (match(test,mask(icol))) then color(natm) = icol read(card,901) resno(natm),x(natm),y(natm),z(natm) 901 format(22x,i4,4x,3f8.3) name(natm) = card(13:16) resname(natm) = card(17:20) chain(natm) = card(22:22) goto 220 endif enddo 220 continue elseif (card(1:3).eq.'END') then go to 250 endif go to 200 * Come here when EOF or 'END' record is reached 250 continue if (natm.eq.0) then write(noise,*) 'No atoms in input.' stop 30 else write(noise,*) 'Input atoms: ',natm endif c C Here's the real loop. C nrings = 0 jatm = 0 300 continue iatm = jatm + 1 if (iatm.ge.natm) goto 399 c do j = iatm, natm if (resno(j).eq.resno(iatm) & .and.chain(j).eq.chain(iatm)) then jatm = j else goto 301 endif enddo 301 continue if (bflag) then do n = b_start, b_end if (resname(iatm)(2:4).eq.type(1,n)(2:4)) goto 310 enddo endif if (pflag) then do n = p_start, p_end if (resname(iatm)(2:4).eq.type(1,n)(2:4)) goto 310 enddo endif if (sflag) then do n = s_start, s_end if (resname(iatm)(2:4).eq.type(1,n)(2:4)) goto 310 enddo endif c Look for base names, but use sugar ring (ribopyranose) if (rflag) then do n = b_start, b_end if (resname(iatm)(2:4).eq.type(1,n)(2:4)) then goto 309 endif enddo endif goto 300 309 continue c Found a ribose inside a base n = b_start - 1 310 continue ringsize = 9 if (rflag) n = b_start - 1 do i = 2, 10 if (type(i,n).eq.' ') then ringsize = i - 2 goto 320 endif do j = iatm, jatm if (type(i,n).eq.name(j)) then ind(i-1) = j goto 312 endif c Allow for incorrect column if ((type(1,n)(1:1).eq.' ') .and. & (type(i,n)(2:4).eq.name(j)(1:3))) then ind(i-1) = j goto 312 endif enddo write(noise,*) 'Cannot find atom ',type(i,n),' in', & type(1,n), resno(iatm), chain(iatm) goto 300 312 continue enddo 320 continue c c Found one c nrings = nrings + 1 nhits(n) = nhits(n) + 1 red = rgb(1,color(ind(1))) grn = rgb(2,color(ind(1))) blu = rgb(3,color(ind(1))) write(output,321) type(1,n),resno(iatm),chain(iatm) 321 format('# ',a4,2x,i4,a1) 322 format('1',/,3(3f8.2),3f6.3) if (ringsize.eq.5) then write(output,322) & x(ind(1)),y(ind(1)),z(ind(1)), & x(ind(2)),y(ind(2)),z(ind(2)), & x(ind(5)),y(ind(5)),z(ind(5)), & red,grn,blu write(output,322) & x(ind(3)),y(ind(3)),z(ind(3)), & x(ind(4)),y(ind(4)),z(ind(4)), & x(ind(5)),y(ind(5)),z(ind(5)), & red,grn,blu write(output,322) & x(ind(2)),y(ind(2)),z(ind(2)), & x(ind(3)),y(ind(3)),z(ind(3)), & x(ind(5)),y(ind(5)),z(ind(5)), & red,grn,blu endif if (ringsize.ge.6) then write(output,322) & x(ind(2)),y(ind(2)),z(ind(2)), & x(ind(3)),y(ind(3)),z(ind(3)), & x(ind(5)),y(ind(5)),z(ind(5)), & red,grn,blu write(output,322) & x(ind(1)),y(ind(1)),z(ind(1)), & x(ind(2)),y(ind(2)),z(ind(2)), & x(ind(6)),y(ind(6)),z(ind(6)), & red,grn,blu write(output,322) & x(ind(3)),y(ind(3)),z(ind(3)), & x(ind(4)),y(ind(4)),z(ind(4)), & x(ind(5)),y(ind(5)),z(ind(5)), & red,grn,blu write(output,322) & x(ind(2)),y(ind(2)),z(ind(2)), & x(ind(5)),y(ind(5)),z(ind(5)), & x(ind(6)),y(ind(6)),z(ind(6)), & red,grn,blu endif if (ringsize.eq.9) then write(output,322) & x(ind(5)),y(ind(5)),z(ind(5)), & x(ind(7)),y(ind(7)),z(ind(7)), & x(ind(8)),y(ind(8)),z(ind(8)), & red,grn,blu write(output,322) & x(ind(6)),y(ind(6)),z(ind(6)), & x(ind(8)),y(ind(8)),z(ind(8)), & x(ind(9)),y(ind(9)),z(ind(9)), & red,grn,blu write(output,322) & x(ind(5)),y(ind(5)),z(ind(5)), & x(ind(6)),y(ind(6)),z(ind(6)), & x(ind(8)),y(ind(8)),z(ind(8)), & red,grn,blu endif goto 300 399 continue write (noise,*) 'Filled rings for',nrings,' residues' do i = 1,NTYPES if (nhits(i).gt.0) write (noise,*) ' ',type(1,i),nhits(i) enddo c c c end LOGICAL FUNCTION MATCH (SUBJ, MASK) CHARACTER*24 SUBJ,MASK MATCH = .FALSE. DO I = 1, 24 IF (SUBJ(I:I).NE.MASK(I:I) .AND. MASK(I:I).NE.'#') RETURN ENDDO MATCH = .TRUE. RETURN END Raster3D_3.0-2/./worms0000775000471100047110000000151711327673235014433 0ustar merrittmerritt#!/bin/csh # # Wrapper for rods program that splits main/sidechain atoms for # separate treatment. The backbone is drawn as a radius 0.3 worm. # Sidechains are drawn as 0.15A rods # # Save temporary copy of input stream cat > worms.tmp.0 # # Backbone first, with or without header as determined by $1 (-h) # rm -rf worms.tmp.1 if ($1 == "-h") then echo "# Worms version 1.0" > worms.tmp.1 echo "# Backbone atoms" >> worms.tmp.1 else touch worms.tmp.1 endif grep -E -w '(^COLOUR.*)|(N)|(C)|(CA)' worms.tmp.0 | rods $1 -r 0.3 >> worms.tmp.1 # # Now the sidechains (actually everything but the backbone carbonyl bond) # echo "# Worms version 1.0" > worms.tmp.2 echo "# Sidechain atoms" >> worms.tmp.2 grep -E -v ' ((O)|(C)) ' worms.tmp.0 | rods -h -r 0.15 >> worms.tmp.2 # # # cat worms.tmp.1 worms.tmp.2 rm -f worms.tmp.0 worms.tmp.1 worms.tmp.2 Raster3D_3.0-2/./quadric.f0000664000471100047110000003535211327673235015141 0ustar merrittmerritt************************************************************************ * Support routines for quadric surfaces * ************************************************************************ * EAM Jun 1997 - initial version, supports version 2.4(alpha) of render * EAM May 1998 - additional error checking to go with Parvati/rastep * EAM Jan 1999 - version 2.4i * EAM Mar 2008 - Gfortran optimization breaks the object accounting. * No real solution yet. Move qinp.f into separate file ************************************************************************ * * Quadric surfaces include spheres, cones, ellipsoids, paraboloids, and * hyperboloids. The motivation for this code was to allow rendering * thermal ellipsoids for atoms, so the other shapes have not been * extensively tested. * A quadric surface is described by 10 parameters (A ... J). * For efficiency during rendering it is also useful to know the center and * a bounding sphere. So a QUADRIC descriptor to render has 17 parameters: * 14 (object type QUADRIC) * X Y Z RADLIM RED GRN BLU * A B C D E F G H I J * * The surface itself is the set of points for which Q(x,y,z) = 0 * where * Q(x,y,z) = A*x^2 + B*y^2 + C*z^2 * + 2D*x*y + 2E*y*z + 2F*z*x * + 2G*x + 2H*y + 2I*z * + J * * It is convenient to store this information in a matrix QQ * | QA QD QF QG | QA = A QB = B QC = C * QQ = | QD QB QE QH | QD = D QE = E QF = F * | QF QE QC QI | QG = G QH = H QI = I * | QG QH QI QJ | QJ = J * * Then Q(x,y,x) = XT*QQ*X where X = (x,y,z,1) * The point of this is that a 4x4 homogeneous transformation T can be * applied to QQ by matrix multiplication: QQ' = TinvT * QQ * Tinv * * The surface normal is easily found by taking the partial derivatives * of Q(x,y,z) at the point of interest. ************************************************************************ * TO DO: * - can we distinguish an ellipsoid from other quadrics? Do we care? ************************************************************************ CCC Calculate the matrices for quadric transformation CC QQ' = TINVT * QQ * TINV (TINV is inverse of transposed TMAT) C subroutine qsetup * COMMON /MATRICES/ XCENT, YCENT, SCALE, EYEPOS, SXCENT, SYCENT, & TMAT, TINV, TINVT, SROT, SRTINV, SRTINVT & ,RAFTER, TAFTER REAL XCENT, YCENT, SCALE, EYEPOS, SXCENT, SYCENT REAL TMAT(4,4), TINV(4,4), TINVT(4,4) REAL SROT(4,4), SRTINV(4,4), SRTINVT(4,4) REAL RAFTER(4,4), TAFTER(3) * COMMON /ASSCOM/ noise, verbose integer noise logical verbose * real TRAN(4,4), POST(4,4), det * * TMAT is a post-multiplier matrix, but unfortunately the * quadric surface math was worked out for pre-multipliers * So the quadric math uses the transpose of TMAT call trnsp4( TRAN, TMAT ) * * Remove translation component from TMAT. * I had to make a choice whether the X,Y,Z "center" of the quadric * is implicitly coded into the coefficients, or whether it is to be * maintained explicitly. Since all other object types do the latter, * I have chosen to keep all translation components out of the quadric * coefficients tran(1,4) = 0.0 tran(2,4) = 0.0 tran(3,4) = 0.0 * * July 1999 - Allow post-hoc rotation matrix also call tmul4( POST, RAFTER, TRAN ) * det = tinv4( TINV, POST ) / TMAT(4,4) call trnsp4( TINVT, TINV ) * * While we're at it, check for legality of rotation matrix if (abs(1. - abs(det)) .gt. 0.02) then write (noise,901) abs(det) 901 format('>>> Warning: Determinant of rotation matrix =', & F7.3,' <<<') endif if (TMAT(1,4).ne.0.or.TMAT(2,4).ne.0.or.TMAT(3,4).ne.0) then write (noise,902) 902 format('>>> Warning: Non-zero cross terms in 4th column of', & ' TMAT <<<') endif * * Same thing again for shadow rotation matrix call trnsp4( TRAN, SROT ) det = tinv4( SRTINV, TRAN ) call trnsp4( SRTINVT, SRTINV ) if (abs(1. - abs(det)) .gt. 0.02) then write (noise,903) abs(det) 903 format('>>> Warning: Determinant of shadow matrix =', & F7.3,' <<<') endif * return end ************************************************************************ * This routine does the exact test for pixel impingement of a quadric * * in both pixel and shadow space. * * Find Z coordinate of point on quadric surface with given X, Y * * Also return surface normal at that point * ************************************************************************ CCC CC C function qtest( center, coeffs, xp, yp, zp, qnorm, shadowspace, & backside ) IMPLICIT NONE logical qtest, shadowspace logical backside real center(3), coeffs(10), xp, yp, zp, qnorm(3) * COMMON /MATRICES/ XCENT, YCENT, SCALE, EYEPOS, SXCENT, SYCENT, & TMAT, TINV, TINVT, SROT, SRTINV, SRTINVT & ,RAFTER, TAFTER REAL XCENT, YCENT, SCALE, EYEPOS, SXCENT, SYCENT REAL TMAT(4,4), TINV(4,4), TINVT(4,4) REAL SROT(4,4), SRTINV(4,4), SRTINVT(4,4) REAL RAFTER(4,4), TAFTER(3) * real QA,QB,QC,QD,QE,QF,QG,QH,QI,QJ real AA,BB,CC,DD,EE real x,y,z * QA = coeffs(1) QB = coeffs(2) QC = coeffs(3) QD = coeffs(4) QE = coeffs(5) QF = coeffs(6) QG = coeffs(7) QH = coeffs(8) QI = coeffs(9) QJ = coeffs(10) * * xp and yp are in pixel coordinates, rather than in normalized ones * First displace center of quadric surface from the implicit origin * to the point specified by center(3), then convert to pixel coords * x = (xp - center(1)) / scale y = (yp - center(2)) / scale * AA = QC BB = 2.0 * (QF*x + QE*y + QI) CC = QA*x*x + QB*y*y + 2.0*(QD*x*y + QG*x + QH*y) + QJ DD = BB*BB - 4*AA*CC if (DD.LT.0) then qtest = .false. return else qtest = .true. EE = sqrt(DD) endif if (AA .eq. 0.) then CDEBUG Can this happen???? z = 9999. else if (backside) then if (AA .le. 0.) then z = (-BB + EE) / (2*AA) else z = (-BB - EE) / (2*AA) endif else if (AA .gt. 0.) then z = (-BB + EE) / (2*AA) else z = (-BB - EE) / (2*AA) endif endif zp = z * scale zp = zp + center(3) * * Surface normal comes from partial derivatives at this point if (.not. shadowspace) then qnorm(1) = QA*x + QD*y + QF*z + QG qnorm(2) = QB*y + QD*x + QE*z + QH qnorm(3) = QC*z + QF*x + QE*y + QI endif * return end CCC Convert ANISOU description of anisotropic displacement parameters CC into quadric surface enclosing a given probability volume C Returns -1 if the Uij are non-positive definite, 1 otherwise C function anitoquad( ANISOU, PROB, QUADRIC, EIGENS, EVECS) implicit NONE integer anitoquad real ANISOU(6), PROB, QUADRIC(10) real EIGENS(3), EVECS(4,4) c COMMON /ASSCOM/ noise, verbose integer noise logical verbose c real UU(4,4), UINV(4,4) integer i c real tinv4, det c c Save FPU traps later by checking that ANISOU is non-zero do i = 1,3 EIGENS(i) = 0.0 end do if (ANISOU(1).eq.0.and.ANISOU(2).eq.0.and.ANISOU(3).eq.0 .and. & ANISOU(4).eq.0.and.ANISOU(5).eq.0.and.ANISOU(6).eq.0) then anitoquad = -2 return end if c c Build matrix from Uij coefficients and invert it UU(1,1) = ANISOU(1) UU(2,2) = ANISOU(2) UU(3,3) = ANISOU(3) UU(4,4) = -(1/PROB**2) UU(1,2) = ANISOU(4) UU(2,1) = ANISOU(4) UU(2,3) = ANISOU(6) UU(3,2) = ANISOU(6) UU(1,3) = ANISOU(5) UU(3,1) = ANISOU(5) UU(1,4) = 0.0 UU(4,1) = 0.0 UU(2,4) = 0.0 UU(4,2) = 0.0 UU(3,4) = 0.0 UU(4,3) = 0.0 det = tinv4( UINV, UU ) c c and from that we extract the coefficients of the surface QUADRIC(1) = UINV(1,1) QUADRIC(2) = UINV(2,2) QUADRIC(3) = UINV(3,3) QUADRIC(4) = UINV(1,2) QUADRIC(5) = UINV(2,3) QUADRIC(6) = UINV(1,3) QUADRIC(7) = UINV(1,4) QUADRIC(8) = UINV(2,4) QUADRIC(9) = UINV(3,4) QUADRIC(10) = UINV(4,4) c c Find eigenvalues of the ellipsoid call jacobi( UU, 3, 4, EIGENS, EVECS ) c c Units of this matrix are A**2; we want values in A anitoquad = 1 do i = 1,3 if (EIGENS(i).gt.0.) then EIGENS(i) = sqrt(EIGENS(i)) else C write (noise,*) 'Non-positive definite ellipsoid!' EIGENS(i) = 0. anitoquad = -1 endif enddo c return end CCC Matrix manipulation routines for 4x4 homogeneous transformations CC C subroutine tmul4( C, A, B ) real C(4,4), A(4,4), B(4,4) integer i,j do i = 1,4 do j = 1,4 C(i,j) = A(i,1)*B(1,j) + A(i,2)*B(2,j) & + A(i,3)*B(3,j) + A(i,4)*B(4,j) enddo enddo return end subroutine trnsp4( B, A ) real B(4,4), A(4,4) integer i,j do i=1,4 do j=1,4 B(i,j) = A(j,i) enddo enddo return end CCC Matrix inversion for a 4x4 matrix A CC C function tinv4( AI, A ) real tinv4 real AI(4,4), A(4,4) c real TMP(4,4), D integer index(4) c do i=1,4 do j=1,4 TMP(i,j) = A(i,j) AI(i,j) = 0. enddo AI(i,i) = 1. enddo call ludcmp( TMP, 4, index, D ) tinv4 = D * TMP(1,1)*TMP(2,2)*TMP(3,3)*TMP(4,4) do j=1,4 call lubksb( TMP, 4, index, AI(1,j) ) enddo return end ************************************************************************ * Matrix inversion via LU decomposition * * adapted from Numerical Recipes in Fortran (1986) * ************************************************************************ * CCC input NxN matrix A is replaced by its LU decomposition CC output index(N) records row permutation due to pivoting C output D is parity of row permutations c subroutine ludcmp( A, n, index, D ) implicit NONE integer n,index(n) real A(n,n) real D c integer i,imax,j,k real aamax,dum,sum integer NMAX parameter (NMAX=10) real vv(NMAX) c d = 1. do i=1,n aamax = 0. do j=1,n if (abs(A(i,j)).gt.aamax) aamax = abs(A(i,j)) enddo call assert(aamax.ne.0.,'Singular matrix') vv(i) = 1. / aamax enddo c imax = 1 do j=1,n if (j.gt.1) then do i=1,j-1 sum = A(i,j) if (i.gt.1) then do k=1,i-1 sum = sum - A(i,k)*A(k,j) enddo A(i,j) = sum endif enddo endif aamax = 0. do i=j,n sum = A(i,j) if (j.gt.1) then do k=1,j-1 sum = sum - A(i,k)*A(k,j) enddo A(i,j) = sum endif dum = vv(i) * abs(sum) if (dum.ge.aamax) then imax = i aamax = dum endif enddo if (j.ne.imax) then do k=1,n dum = A(imax,k) A(imax,k) = A(j,k) A(j,k) = dum enddo d = -d vv(imax) = vv(j) endif index(j) = imax call assert(A(j,j).ne.0.,'Singular matrix') if (j.ne.n) then dum = 1. / A(j,j) do i=j+1,n A(i,j) = A(i,j) * dum enddo endif enddo return end CCC corresponding back-substitution routine CC C subroutine lubksb( A, N, index, B ) implicit NONE integer n, index(n) real A(n,n), B(n) c integer i,ii,j,ll real sum c ii = 0 do i=1,n ll = index(i) sum = B(ll) B(ll) = B(i) if (ii.ne.0) then do j=ii,i-1 sum = sum - A(i,j)*B(j) enddo else if (sum.ne.0.) then ii = i endif B(i) = sum enddo c do i=n,1,-1 sum = B(i) if (i.lt.n) then do j=i+1,n sum = sum - A(i,j)*B(j) enddo endif B(i) = sum / A(i,i) enddo return end ************************************************************************ * Find eigenvalues and eigenvectors of nxn symmetric matrix using * * cyclic Jacobi method. NP is (Fortran) physical storage dimension. * * On return A is destroyed, D contains eigenvalues,and each column of * * V is a normalized eigenvector * * Adapted from Numerical Recipes in Fortran (1986) * * We only need it for 3x3 symmetric matrices, so it's overkill. * ************************************************************************ CCC CC C subroutine jacobi( A, n, np, D, V ) PARAMETER (NMAX=4) c Machine dependent! (converge when off-diagonal sum is less than this) PARAMETER (TINY = 1.e-37) real A(np,np), D(n), V(np,np) real B(NMAX), Z(NMAX) c call assert(n.le.NMAX,'Matrix too big for eigenvector routine') c c Initialize V to identity matrix, B and D to diagonal of A do ip = 1,n do iq = 1,n V(ip,iq) = 0.0 enddo V(ip,ip) = 1.0 B(ip) = A(ip,ip) D(ip) = B(ip) Z(ip) = 0.0 enddo nrot = 0 c c 50 sweeps is never expected to happen; Press et al (1986) claim c 6 to 10 are typical for moderate matrix sizes c Empirical trials of rastep show 6 sweeps, 8-10 rotations do i = 1,50 sm = 0.0 do ip = 1,n-1 do iq = ip+1,n sm = sm+abs(A(ip,iq)) enddo enddo if (sm .lt. TINY) return c After 4 sweeps skip rotation if the off-diagonal is small if (i .lt. 4) then thresh = 0.2*sm/(n*n) else thresh = 0.0 endif do ip = 1,n-1 do iq = ip+1,n g = 100. * abs(A(ip,iq)) if ((i.gt.4) .and. & (abs(D(ip)) + g .eq. abs(D(ip))) .and. & (abs(D(iq)) + g .eq. abs(D(iq)))) then A(ip,iq) = 0.0 else if (abs(A(ip,iq)).gt.thresh) then h = D(iq) - D(ip) if (abs(h) + g .eq. abs(h)) then t = A(ip,iq) / h else theta = 0.5 * h / A(ip,iq) t = 1. / (abs(theta) + sqrt(1.+theta*theta)) if (theta.lt.0.) t = -t endif c = 1./sqrt(1.+t*t) s = t * c tau = s/(1.+c) h = t * A(ip,iq) Z(ip) = Z(ip) - h Z(iq) = Z(iq) + h D(ip) = D(ip) - h D(iq) = D(iq) + h A(ip,iq) = 0.0 do j = 1,ip-1 g = A(j,ip) h = A(j,iq) A(j,ip) = g - s*(h+g*tau) A(j,iq) = h + s*(g-h*tau) enddo do j = ip+1,iq-1 g = A(ip,j) h = A(j, iq) A(ip,j) = g - s*(h+g*tau) A(j,iq) = h + s*(g-h*tau) enddo do j = iq+1,n g = A(ip,j) h = A(iq,j) A(ip,j) = g - s*(h+g*tau) A(iq,j) = h + s*(g-h*tau) enddo do j = 1,n g = V(j,ip) h = V(j,iq) V(j,ip) = g - s*(h+g*tau) V(j,iq) = h + s*(g-h*tau) enddo nrot = nrot + 1 endif enddo enddo c c Update D with sum and reinitialize Z do ip = 1,n B(ip) = B(ip) + Z(ip) D(ip) = B(ip) Z(ip) = 0.0 enddo enddo c call assert(.false.,'Failed to find eigenvectors') return end c C This one really has nothing to do with quadrics per se, C but since it's invoked by qinp, both render and rastep C need to be able to see it. C Should really be in separate file of support routines C FUNCTION PERSP( Z ) REAL PERSP, Z COMMON /MATRICES/ XCENT, YCENT, SCALE, EYEPOS, SXCENT, SYCENT, & TMAT, TINV, TINVT, SROT, SRTINV, SRTINVT & ,RAFTER, TAFTER REAL XCENT, YCENT, SCALE, EYEPOS, SXCENT, SYCENT REAL TMAT(4,4), TINV(4,4), TINVT(4,4) REAL SROT(4,4), SRTINV(4,4), SRTINVT(4,4) REAL RAFTER(4,4), TAFTER(3) IF (Z/EYEPOS .GT. 0.999) THEN PERSP = 1000. ELSE PERSP = 1. / (1. - Z/EYEPOS) ENDIF RETURN END Raster3D_3.0-2/./VERSION0000664000471100047110000000002211522565132014365 0ustar merrittmerrittVERSION = "3.0-2" Raster3D_3.0-2/./rods.f0000664000471100047110000003525211327673235014457 0ustar merrittmerritt PROGRAM RODS *------------------------------------------------------------------------------ * Program to set up input for RENDER with CYLINDERs drawn between * each pair of atoms lying closer than 0.6 * (sum of VanderWaals radii). * This program is the same as SETUP, except for what is generated. * Input matrix or angles are taken from setup.matrix or setup.angles * (NB: same files as setup) * * Eric Swanson Oct 1991 * Modified to generate cylinders with half bond colors, where needed. * EAM Feb 1997 * -radius XX to set cylinder radius * EAM Sep 1997 * -default colors; option for coloring by B-value * -more generous output formats (FORMATs 130 and 140) * EAM Jun 1999 * -brad XX to set ball radius as fraction of Van der Waals radius * EAM Jul 1999 * don't draw bonds across alternate chain locations * *------------------------------------------------------------------------------ INCLUDE 'VERSION.incl' * * I/O units for colour/co-ordinate input, specs output, user output INTEGER INPUT, OUTPUT, NOISE PARAMETER (INPUT=5, OUTPUT=6, NOISE=0) PARAMETER (MAXCOL=5000, MAXATM=100000) REAL RGB(3,MAXCOL),VDW(MAXCOL) REAL SPAM(6,MAXATM) REAL CEN(3) CHARACTER*24 MASK(MAXCOL),TEST CHARACTER*80 ATOM(MAXATM),CARD LOGICAL MATCH C C flags include C -b (ball and stick) C -h (suppress header records in output) C -radius XX (set cylinder radius) C -brad XX (set ball radius as fraction of VdW) C character*64 options logical bflag, hflag, bcflag, brflag real cylrad, ballrad c c Read in 3x3 view matrix from file setup.matrix. c Matrix is applied before finding translation, center, and scale. c Afterwards the input matrix to RENDER is therefore the identity matrix. C common /matrix/ matrix, coords real matrix(3,3), coords(3) C C Default to CPK colors and VDW radii character*60 defcol(7) data defcol / & 'COLOUR#######C################ 0.625 0.625 0.625 1.70', & 'COLOUR#######N################ 0.125 0.125 1.000 1.60', & 'COLOUR#######O################ 0.750 0.050 0.050 1.50', & 'COLOUR#######S################ 1.000 1.000 0.025 1.85', & 'COLOUR#######H################ 1.000 1.000 1.000 1.20', & 'COLOUR#######P################ 0.400 1.000 0.400 1.80', & 'COLOUR######################## 1.000 0.000 1.000 2.00' & / c 3 format(a,a) c bflag = .FALSE. bcflag = .FALSE. hflag = .FALSE. brflag = .FALSE. cylrad = 0.2 ballrad= 0.2 narg = iargc() i = 1 500 continue call getarg( i, options ) if (options(1:2) .eq. '-h') hflag = .true. if (options(1:5) .eq. '-Bcol') then bcflag = .true. i = i + 1 if (i.gt.narg) goto 701 call getarg( i, options ) read (options,*,err=701) Bmin i = i + 1 if (i.gt.narg) goto 701 call getarg( i, options ) read (options,*,err=701) Bmax endif if (options(1:2) .eq. '-b') bflag = .true. if (options(1:2) .eq. '-r') then i = i + 1 if (i.gt.narg) goto 701 call getarg( i, options ) read (options,*,err=701) cylrad if (cylrad.le.0) stop 'illegal radius value' end if if (options(1:3) .eq. '-br') then i = i + 1 if (i.gt.narg) goto 701 call getarg( i, options ) read (options,*,err=701) ballrad if (ballrad.le.0) stop 'illegal ball radius value' bflag = .true. end if i = i + 1 if (i.le.narg) goto 500 c goto 799 701 write (noise,'(A)') & 'syntax: rods [-h] [-b] [-Bcolor Bmin Bmax] [-radius R]' call exit(-1) 799 continue c write (noise,*) 'Raster3D rods program ',VERSION if (bcflag) then write (noise,*) 'Atom colors will be assigned based on Biso' write (noise,*) ' from dark blue = Bmin =', Bmin write (noise,*) ' to light red = Bmax =', Bmax endif c C do i=1,3 do j=1,3 matrix(i,j)=0. enddo matrix(i,i)=1. enddo call view_matrix c if (.not. hflag) then WRITE(OUTPUT,'(A,A)') 'rods ',VERSION WRITE(OUTPUT,'(A)') '80 64 tiles in x,y' WRITE(OUTPUT,'(A)') ' 8 8 pixels (x,y) per tile' WRITE(OUTPUT,'(A)') '4 anti-aliasing' WRITE(OUTPUT,'(A)') '0 0 0 black background' WRITE(OUTPUT,'(A)') 'F no, shadowed rods look funny' WRITE(OUTPUT,'(A)') '25 Phong power' WRITE(OUTPUT,'(A)') '0.15 secondary light contribution' WRITE(OUTPUT,'(A)') '0.05 ambient light contribution' WRITE(OUTPUT,'(A)') '0.25 specular reflection component' WRITE(OUTPUT,'(A)') '4.0 eye position' WRITE(OUTPUT,'(A)') '1 1 1 main light source position' end if c ASPECT = 1280./1024. NCOL = 0 NATM = 0 10 CONTINUE READ(INPUT,'(A80)',END=50) CARD IF (CARD(1:4).EQ.'COLO') THEN NCOL = NCOL + 1 IF (NCOL.GT.MAXCOL) THEN WRITE(NOISE,*) 'Colour table overflow. Increase ', & 'MAXCOL and recompile.' STOP 10 ENDIF READ(CARD,'(6X,A24,3F8.3,F6.2)',ERR=49) & MASK(NCOL), (RGB(I,NCOL),I=1,3),VDW(NCOL) ELSEIF (CARD(1:4).EQ.'ATOM'.OR.CARD(1:4).EQ.'HETA') THEN NATM = NATM + 1 IF (NATM.GT.MAXATM) THEN WRITE(NOISE,*) 'Atom array overflow. Increase ', & 'MAXATM and recompile.' STOP 20 ENDIF ATOM(NATM) = CARD ELSEIF (CARD(1:3).EQ.'END') THEN GO TO 50 ENDIF GO TO 10 * Problems reading input record 49 continue write(noise,*) 'rods: Cannot parse input record ',CARD call exit(-1) * Come here when EOF or 'END' record is reached 50 CONTINUE IF (NATM.EQ.0) THEN WRITE(NOISE,*) 'No atoms in input.' STOP 30 ENDIF * Load default colors after any that were read in IF (NCOL.LT.MAXCOL-8) THEN DO i = 1,7 NCOL = NCOL + 1 READ(defcol(i),'(6X,A24,3F8.3,F6.2)') MASK(NCOL), & (RGB(J,NCOL),J=1,3), VDW(NCOL) ENDDO ENDIF * IF (NCOL.EQ.0) THEN WRITE(NOISE,*) 'No colours in input.' STOP 40 ENDIF XMAX = -1E20 XMIN = 1E20 YMAX = -1E20 YMIN = 1E20 ZMAX = -1E20 ZMIN = 1E20 DO 100 IATM=1,NATM CARD = ATOM(IATM) TEST = CARD(7:30) DO 80 ICOL=1,NCOL IF (MATCH(TEST,MASK(ICOL))) THEN c READ(CARD,'(30X,3F8.3)',err=49) X,Y,Z c EAM Oct88 READ(CARD,'(30X,3F8.3,6X,F8.2)',err=49) coords, Biso x = coords(1)*matrix(1,1) + coords(2)*matrix(2,1) 1 + coords(3)*matrix(3,1) y = coords(1)*matrix(1,2) + coords(2)*matrix(2,2) 1 + coords(3)*matrix(3,2) z = coords(1)*matrix(1,3) + coords(2)*matrix(2,3) 1 + coords(3)*matrix(3,3) c EAM Oct88 RAD = VDW(ICOL) SPAM(1,IATM) = X SPAM(2,IATM) = Y SPAM(3,IATM) = Z SPAM(4,IATM) = RAD SPAM(5,IATM) = ICOL SPAM(6,IATM) = Biso XMAX = MAX(XMAX,X+RAD) XMIN = MIN(XMIN,X-RAD) YMAX = MAX(YMAX,Y+RAD) YMIN = MIN(YMIN,Y-RAD) ZMAX = MAX(ZMAX,Z+RAD) ZMIN = MIN(ZMIN,Z-RAD) GO TO 100 ENDIF 80 CONTINUE WRITE(NOISE,*) 'No colour table mask matches this atom:' WRITE(NOISE,*) ATOM(IATM) STOP 90 100 CONTINUE XMID = (XMAX+XMIN)/2. YMID = (YMAX+YMIN)/2. ZMID = (ZMAX+ZMIN)/2. TX = -XMID TY = -YMID TZ = -ZMID IF (ASPECT.GE.1.) THEN * The X direction is wider than the Y XROOM = ASPECT YROOM = 1. ZROOM = 2. ELSE XROOM = 1. YROOM = ASPECT ZROOM = 2. ENDIF XSPAN = XMAX-XMIN YSPAN = YMAX-YMIN ZSPAN = ZMAX-ZMIN SCALE = MAX(XSPAN/XROOM,YSPAN/YROOM,ZSPAN/ZROOM) * Leave a little extra room as a border: SCALE = SCALE / 0.90 c if (.not. hflag) then WRITE(OUTPUT,120) TX,TY,TZ,SCALE 120 FORMAT('1 0 0 0 input co-ordinate + radius transformation'/ & '0 1 0 0'/ & '0 0 1 0'/ & 4F10.3) WRITE(OUTPUT,'(A)') '3 mixed object types' WRITE(OUTPUT,'(A)') '*' WRITE(OUTPUT,'(A)') '*' WRITE(OUTPUT,'(A)') '*' end if C C Here's the real loop. C Look for pairs closer to each other than 0.60 times the C sum of the vanderWaals radii. C Draw all cylinders with 0.2A cylindrical radius. C For ball and stick pictures, shrink vanderWaals radius C of balls by 0.20 C If two atoms of different colors are bonded, make half-bond C cylinders with each color. C CLOSE = 1.6 * 1.6 C IF (BFLAG) THEN DO 135 IATM=1,NATM RAD = SPAM(4,IATM) * ballrad ICOL = SPAM(5,IATM) if (bcflag) then call B2RGB( SPAM(6,IATM), Bmin, Bmax, RED, GREEN, BLUE ) RED = RED*RED GREEN = GREEN*GREEN BLUE = BLUE*BLUE else RED = RGB(1,ICOL) GREEN = RGB(2,ICOL) BLUE = RGB(3,ICOL) endif WRITE(OUTPUT,130) 2 SPAM(1,IATM),SPAM(2,IATM),SPAM(3,IATM),RAD, 3 RED,GREEN,BLUE C130 FORMAT(1H2,/,7f8.3) 130 FORMAT(1H2,/,7(1X,F8.3)) 135 CONTINUE ENDIF C DO 160 IATM=1,NATM DO 150 JATM=IATM+1,NATM DX = SPAM(1,IATM) - SPAM(1,JATM) DY = SPAM(2,IATM) - SPAM(2,JATM) DZ = SPAM(3,IATM) - SPAM(3,JATM) DIST = DX*DX + DY*DY + DZ*DZ CLOSE = 0.6 * (SPAM(4,IATM) + SPAM(4,JATM)) CLOSE = CLOSE**2 IF (ATOM(IATM)(17:17).NE.' ' .AND. ATOM(JATM)(17:17).NE.' ' & .AND. ATOM(IATM)(17:17).NE.ATOM(JATM)(17:17)) GOTO 150 c c 4-Feb-2000 also force chain ID's to be the same c IF (ATOM(IATM)(22:22).NE.' ' .AND. ATOM(JATM)(22:22).NE.' ' & .AND. ATOM(IATM)(22:22).NE.ATOM(JATM)(22:22)) GOTO 150 IF (DIST .LE. CLOSE) THEN if (bcflag) then ICOL = 1 JCOL = 2 call B2RGB( SPAM(6,IATM), Bmin, Bmax, RED, GREEN, BLUE ) RGB(1,ICOL) = RED*RED RGB(2,ICOL) = GREEN*GREEN RGB(3,ICOL) = BLUE*BLUE call B2RGB( SPAM(6,JATM), Bmin, Bmax, RED, GREEN, BLUE ) RGB(1,JCOL) = RED*RED RGB(2,JCOL) = GREEN*GREEN RGB(3,JCOL) = BLUE*BLUE else ICOL = SPAM(5,IATM) JCOL = SPAM(5,JATM) endif IF(ICOL.EQ.JCOL) THEN WRITE(OUTPUT,140) 1 SPAM(1,IATM),SPAM(2,IATM),SPAM(3,IATM),CYLRAD, 2 SPAM(1,JATM),SPAM(2,JATM),SPAM(3,JATM),CYLRAD, 3 RGB(1,ICOL),RGB(2,ICOL),RGB(3,ICOL) else if (bcflag) then write(output,140) 1 SPAM(1,IATM),SPAM(2,IATM),SPAM(3,IATM),CYLRAD, 2 SPAM(1,JATM),SPAM(2,JATM),SPAM(3,JATM),CYLRAD, 3 RGB(1,ICOL),RGB(2,ICOL),RGB(3,ICOL) write(output,141) 1 RGB(1,ICOL),RGB(2,ICOL),RGB(3,ICOL), 2 RGB(1,JCOL),RGB(2,JCOL),RGB(3,JCOL), 3 0, 0, 0 ELSE DO 136 K=1,3 136 CEN(K) = (SPAM(K,IATM)+SPAM(K,JATM))/2 WRITE(OUTPUT,140) 1 SPAM(1,IATM),SPAM(2,IATM),SPAM(3,IATM),CYLRAD, 2 CEN(1),CEN(2),CEN(3),CYLRAD, 3 RGB(1,ICOL),RGB(2,ICOL),RGB(3,ICOL) WRITE(OUTPUT,140) 1 CEN(1),CEN(2),CEN(3),CYLRAD, 2 SPAM(1,JATM),SPAM(2,JATM),SPAM(3,JATM),CYLRAD, 3 RGB(1,JCOL),RGB(2,JCOL),RGB(3,JCOL) ENDIF ENDIF C140 FORMAT(1H3,/,11f8.3) 140 FORMAT(1H3,/,2(1X,F8.3,1X,F8.3,1X,F8.3,1X,F7.3),3F7.3) 141 format(2H17,/3(1X,3F6.3)) 150 CONTINUE 160 CONTINUE C C C write (noise,'(/)') write (noise,156) 'X min max:', XMIN, XMAX write (noise,156) 'Y min max:', YMIN, YMAX write (noise,156) 'Z min max:', ZMIN, ZMAX write (noise,156) ' scale:', SCALE 156 format(1x,a,3f8.2) END LOGICAL FUNCTION MATCH (SUBJ, MASK) CHARACTER*24 SUBJ,MASK MATCH = .FALSE. DO 10 I = 1, 24 IF (SUBJ(I:I).NE.MASK(I:I) .AND. MASK(I:I).NE.'#') RETURN 10 CONTINUE MATCH = .TRUE. RETURN END subroutine view_matrix c common /matrix/ matrix, coords real matrix(3,3), coords(3) c real phiX, phiY, phiZ integer noise parameter (noise = 0) parameter (R2D = 180./3.1415927) open (unit=3, file='setup.matrix', status='OLD', err=100) read (3,*) ((matrix(i,j),i=1,3),j=1,3) write (noise,'(1x,3f9.5)') ((matrix(i,j),i=1,3),j=1,3) close (3) det = matrix(1,1) * matrix(2,2) * matrix(3,3) 1 + matrix(1,2) * matrix(2,3) * matrix(3,1) 2 + matrix(2,1) * matrix(3,2) * matrix(1,3) 3 - matrix(1,3) * matrix(2,2) * matrix(3,1) 4 - matrix(1,2) * matrix(2,1) * matrix(3,3) 5 - matrix(1,1) * matrix(2,3) * matrix(3,2) write (noise,'('' determinant ='',f8.3)') det phiX = atan2( -matrix(3,2), matrix(3,3) ) phiY = atan2( matrix(3,1), matrix(3,3) / cos(phiX) ) phiZ = atan2( -matrix(2,1), matrix(1,1) ) write (noise,3) ' View Angles from matrix',' ' write (noise,2) phiZ*R2D, phiY*R2D, phiX*R2D return 100 continue open (unit=3, file='setup.angles', status='OLD', err=200) read (3,*) phiZ, phiY, phiX close (3) write (noise,2) phiZ, phiY, phiX cx = cos(phiX/R2D) sx = sin(phiX/R2D) cy = cos(phiY/R2D) sy = sin(phiY/R2D) cz = cos(phiZ/R2D) sz = sin(phiZ/R2D) matrix(1,1) = cz*cy matrix(1,2) = sz*cx + cz*sy*sx matrix(1,3) = sz*sx - cz*sy*cx matrix(2,1) = -sz*cy matrix(2,2) = cz*cx - sx*sy*sz matrix(2,3) = cz*sx + sz*sy*cx matrix(3,1) = sy matrix(3,2) = -sx*cy matrix(3,3) = cx*cy write (noise,3) ' View Matrix from angles',' ' write (noise,'(1x,3f9.5)') ((matrix(i,j),i=1,3),j=1,3) return 200 continue 2 format(1x,' phiZ =',f8.2,' phiY =',f8.2,' phiX =',f8.2) 3 format(/a,a) write (noise,*) ' No view matrix or angles provided' return end CCC Return RGB triple that runs from dark blue at Bmin CC to light red at Bmax C subroutine B2RGB( Biso, Bmin, Bmax, R, G, B ) real Biso, Bmin, Bmax, R, G, B c real fraction, h, s, v c fraction = (Biso-Bmin) / (Bmax-Bmin) if (fraction.lt.0.) fraction = 0. if (fraction.gt.1.) fraction = 1. h = 240. * (1.-fraction) s = 0.8 v = 0.5 + fraction/2. call hsv2rgb( h, s, v, r, g, b ) return end CCC Color format conversion from Hue/Saturation/Value to Red/Green/Blue CC minimal (i.e. NO) error checking C subroutine hsv2rgb( h, s, v, r, g, b ) real h, s, v, r, g, b c real f, p, q, t integer i c i = h /60. f = h/60. - float(i) p = v * (1. - s) q = v * (1. - s*f) t = v * (1. - s*(1. - f)) if (i.eq.5) then r = v g = p b = q else if (i.eq.4) then r = t g = p b = v else if (i.eq.3) then r = p g = q b = v else if (i.eq.2) then r = p g = v b = t else if (i.eq.1) then r = q g = v b = p else r = v g = t b = p endif return end Raster3D_3.0-2/./stereo3d0000755000471100047110000001166711503276362015015 0ustar merrittmerritt#!/bin/sh # # Raster3D utility script "stereo3d" V3.0 # ======================================= # # Ethan A Merritt - December 2010 # # Renders a single Raster3D scene description as a side-by-side stereo pair. # By default this version of the stereo3d script uses a shear operation to # make the left/right images. The -angsep option causes it to use angular # separation instead. In this case the angular separation is pre-set to # +/- 2.5 degrees. If you want some other value you can edit the script. # Neither shear nor rotation is perfect; relative weak points are shown # in this table: # shear rotation # ----- -------- # Z-clipping OK serious problem # specular highlights OK minor problem # Bounding planes bad OK # shadows bad (fixable?) OK # # # Requires: # ImageMagick utilities identify, mogrify, and montage. # sed (previous versions used awk/nawk). # This script was tested using ImageMagick version 6.6.1 # # Usage: # stereo3d [-angsep] [-border] [-png [out.png]] < infile.r3d > outfile.png # # Temporary files: # Scratch files are put in $TMPDIR, if it exists, else in /tmp # # # Construct base name for scratch files # if [ "$TMPDIR" ]; then tmp=$TMPDIR/$$ elif [ -d /usr/tmp ]; then tmp=/usr/tmp/$$ else tmp=/tmp/$$ fi # echo "DEBUG scratch files to $tmp" 1>&2 # # Parse command line options # unset STEREOBORDER unset outfile unset img mode= previous= render_options= normal_options= for option in $* do if [ "$option" = "-border" ]; then STEREOBORDER=1; elif [ "$option" = "-png" ]; then img=png; elif [ "$option" = "-tiff" ]; then img=tiff; elif [ "$option" = "-angsep" ]; then mode="-ang 2.5"; else if [ "$previous" = "-tiff" ] || [ "$previous" = "-png" ] ; then outfile="$option" if [ `echo "$option" | sed -e 's/\(.\).*/\1/'` != "-" ]; then outfile="$option" fi elif [ "$previous" = "-size" ] ; then normal_options="${normal_options} -size $option" render_options="${render_options} $option" else render_options="${render_options} $option" fi fi previous="$option" done if [ "$img" != "tiff" ]; then img=png fi if [ "$outfile" ]; then echo "stereo3d: $img output to $outfile" 1>&2 else echo "stereo3d: $img output to stdout" 1>&2 fi # # Call normal3d to create left/right pair of input descriptions # Default is to use a shear operation to create stereo effect # -angsep selects angular separation instead if normal3d -stereo ${tmp} -expand $mode ${normal_options} > ${tmp}_stereo3d.tmp then echo "stereo3d: normal3d seems to be OK" 1>&2 else echo "stereo3d: normal3d failed" 1>&2 exit -1 fi echo "@${tmp}_stereo3d.tmp" >> ${tmp}_left.r3d echo "@${tmp}_stereo3d.tmp" >> ${tmp}_right.r3d # # Render left and right panels separately # Old code (without label processing) was # render -tiff left.tiff < left.r3d # render -tiff right.tiff < right.r3d # # echo " normal3d options $normal_options" 1>&2 # echo " render options $render_options" 1>&2 echo "stereo3d: rendering left eye view" 1>&2 render ${render_options} -${img} < ${tmp}_left.r3d > ${tmp}_left.${img} 2> /dev/null \ || mv ${tmp}_render.${img} ${tmp}_left.${img} echo "stereo3d: rendering right eye view" 1>&2 render ${render_options} -${img} < ${tmp}_right.r3d > ${tmp}_right.${img} 2> /dev/null \ || mv ${tmp}_render.${img} ${tmp}_right.${img} # # Find image size IMAGESIZE=`identify ${tmp}_left.${img} | sed -e 's/.* \([0-9]*x[0-9]*\).*/\1/'` WIDTH=`echo $IMAGESIZE | sed -e 's/x.*//'` HEIGHT=`echo $IMAGESIZE | sed -e 's/.*x//'` IMAGESIZE=`echo "$WIDTH x $HEIGHT" | sed -e 's/ //g'` # echo "stereo3d: joining left and right images" 1>&2 if [ "$STEREOBORDER" ]; then montage +frame +label -background black -geometry $IMAGESIZE+2+0! -scenes 0 ${tmp}_left.${img} ${tmp}_right.${img} ${tmp}_stereo3d.${img} else montage +frame +label -background white -geometry $IMAGESIZE+0+0! -scenes 0 ${tmp}_left.${img} ${tmp}_right.${img} ${tmp}_stereo3d.${img} fi # # This next bit is only necessary because ImageMagick _always_ writes a label # field at the bottom of the picture. Even with a font size of 0, you still get # two extra rows of pixels at the bottom. So we crop back to the original height. # if [ "$STEREOBORDER" ]; then echo "stereo3d: adding border" 1>&2 NEWWIDTH=`identify ${tmp}_stereo3d.${img} | sed -e 's/.* \([0-9]*\)x[0-9]*.*/\1/'` IMAGESIZE=`echo "$NEWWIDTH x $HEIGHT" | sed -e 's/ //g'` mogrify -crop $IMAGESIZE+0+0 -bordercolor black -border 2x4 ${tmp}_stereo3d.${img} fi echo "Stereo image size $IMAGESIZE" 1>&2 # # output to explicit file or to stdout # if [ "$outfile" ]; then mv ${tmp}_stereo3d.${img} $outfile else cat ${tmp}_stereo3d.${img} fi # # clean up # rm -f ${tmp}_left.r3d ${tmp}_right.r3d ${tmp}_stereo3d.tmp rm -f ${tmp}_left.${img} ${tmp}_right.${img} ${tmp}_stereo3d.${img} Raster3D_3.0-2/./Raster3D.sh0000775000471100047110000000034211327673235015317 0ustar merrittmerritt# Raster3D_2.6 # user environment initialization for [ba|k]sh # Depending on your system's configuration, it may be sufficient to copy this # file to /etc/profile.d # R3D_LIB=/usr/local/share/Raster3D/materials export R3D_LIB Raster3D_3.0-2/./rastep.f0000664000471100047110000013531511502537364015004 0ustar merrittmerritt PROGRAM RASTEP ******************************************************************************** * * Usage: * rastep [-h] [-iso] [-Bcolor Bmin Bmax] [-prob xx] [-radius r] [-fancy[0-9]] * [-tabulate histogram.file] [-by_atomtype] [-suv_check] [-cn_check] * * * -auto auto-orientation of viewpoint * -h suppresses header records in output * -iso forces isotropic B values (spheres rather than * ellipsoids) even if ANISOU cards present * -aniso converts isotropic B values into Uij terms so that they * can be included in the analysis * -Bcolor Bmin Bmax * color by Biso values; Bmin = dark blue, Bmax = light red * -Acolor color by anisotropy; red < white (A=0.5) < green * -prob xx draws ellipsoids to enclose this * probability level (default = 0.50) * -radius draws bonds with this radius in Angstroms * (default = 0.10) * -fancy[0-9] increasingly complex rendition of ellipsoids * fancy0 [default] solid surface only * fancy1 principle axes + transparent bounding ellipsoid * fancy2 equatorial planes only * fancy3 equatorial planes + transparent ellipsoid * fancy4 longest principle axis only * fancy5 for ORTEP lovers - one octant missing * fancy6 same as fancy5, with missing octant colored grey * *=============================================================================== * The following options are used by parvati scripts * * -tabulate [file]instead of creating a Raster3D input file, * list all atoms with principle axes and anisotropy. * Optionally write a histogram of anisotropy to speficied * output file; otherwise output is to stderr * * output from -tabulate for this version of rastep * ATOM RESNAME RESNUM EIGEN1 EIGEN2 EIGEN3 ANISOTROPY Uiso * * -com [file] find in shells from center of mass * -nohydrogens don't plot hydrogens even if present * -mini small size plot (176x208) with auto-orientation * -suv_check use Suv to validate similarity of bonded ellipsoids * -cn_check use CCuij to check similarity across C-N bonds * ******************************************************************************** * * EAM Jul 97 - initial version * EAM Dec 97 - version 2.4b release * EAM Jan 98 - add tabulation option * EAM May 98 - integrate with PARVATI script * EAM Jun 99 - fix bug (lack of sqrt) in -iso processing, trap read errors * -Acolor flag to color by anisotropy (not yet entirely satisfactory) * EAM Jul 99 - V2.4l -tab output revised slightly, * NPD ellipsoids colored magenta * -nohydro flag to suppress drawing hydrogens * -mini flag to generate smaller pictures * don't draw bonds between atoms with different ALT flags * EAM Aug 99 - V2.4m * work harder at suppressing hydrogens * add auto-orientation (NB: scaling is wrong in this case!) * EAM Dec 99 - V2.5 * clean up output formats a little * EAM Jun 2000 - additional error reporting * EAM Jul 2000 - apply Bcolor to bonds as well as atoms * EAM Sep 2000 - Suv similarity test * EAM Apr 2001 - V2.6 * ORTEP_LIKE ellipsoids (one octant missing) * error count * EAM Feb 2002 - rework ANISOU and Suv processing to gain back some speed * maybe I should have an array of iso/aniso flags to save * time during testing? * the rest of CARD() array can go too? * all the tests on IF ATOM(I)(1:).eq.'ATOM' are now unneeded * EAM May 2003 - expand default color table to allow for off-by-one atom names * EAM Oct 2003 - trap and report 0 values for axial Uij components in input * EAM May 2006 - initial arrays to 0 for gfortran * EAM Feb 2008 - 2.7s initialize even more arrays for gfortran * EAM Aug 2009 - slightly revised output format for -tabulate * EAM Sep 2009 - Explicitly test CCuij for C-N bonds * EAM Oct 2009 - report CCuij = if C or N is NPD * -aniso flag * EAM Mar 2010 - CCuij for phosphate backbone also * * I/O units for colour/co-ordinate input, specs output, user output * INCLUDE 'VERSION.incl' * INTEGER INPUT, OUTPUT, NOISE PARAMETER (INPUT=5, OUTPUT=6, NOISE=0) PARAMETER (MAXCOL=5000, MAXATM=300000) REAL RGB(3,MAXCOL), VDW(MAXCOL) REAL SPAM(5,MAXATM) REAL UIJ(6,MAXATM) real center(3) CHARACTER*24 MASK(MAXCOL),TEST CHARACTER*80 ATOM(MAXATM),CARD character*3 resname character*1 spacer LOGICAL MATCH logical hflag, ellipses, bcflag, tflag, atflag, comflag logical acflag, nohydro, mini, auto, aniflag integer fancy character*132 flags c c Data structures used for auto-orientation real Rr(3,3), U(4,4), Xmom(5) c COMMON /ASSCOM/ assout, verbose integer assout logical verbose c real quadric(10), anisou(6) real eigens(4), evecs(4,4), evecinv(4,4), evecit(4,4) real qq(4,4), qp(4,4), temp(4,4) c external anitoquad integer anitoquad c real problevel(50) c real start(3),end(3) real MARGIN parameter (MARGIN = 1.15) c real Uprin(3), Umean, Usigma, anisotropy, ellipticity integer histogram(20), hislun real anisi(MAXATM), sum_a, sum_a2, anis_mean, anis_sigma real Biso(MAXATM), sum_b, sum_b2, sum_ab integer nanis, niso, nhyd, nonpos logical hwhacky integer nerrors c character*2 atomtype integer natype c real*8 wsum, xsum, ysum, zsum real*8 xcom, ycom, zcom real adist(110) integer hdist(110), comlun, dshells c c Support for validation of similarity of bonded atoms logical suvflag, cnflag integer suvlun, suvbad, cnlun, cnbad, ccuijpair character*1 prevchain character*10 name_i, name_j real anisov(6) real cn_min_ccuij c c Default to CPK colors and VDW radii integer DEFCOLS parameter (DEFCOLS = 17) character*60 defcol(DEFCOLS) data defcol / & 'COLOUR###### CA ############## 0.175 0.175 0.175 1.70', & 'COLOUR###### C ############## 0.175 0.175 0.175 1.70', & 'COLOUR#######C################ 0.625 0.625 0.625 1.70', & 'COLOUR#######N################ 0.125 0.125 1.000 1.60', & 'COLOUR#######O################ 0.750 0.050 0.050 1.50', & 'COLOUR#######S################ 1.000 1.000 0.025 1.85', & 'COLOUR#######H################ 1.000 1.000 1.000 1.20', & 'COLOUR#######P################ 0.050 0.750 0.050 1.80', & 'COLOUR##### CA ############### 0.175 0.175 0.175 1.70', & 'COLOUR##### C ############### 0.175 0.175 0.175 1.70', & 'COLOUR######C################# 0.625 0.625 0.625 1.70', & 'COLOUR######N################# 0.125 0.125 1.000 1.60', & 'COLOUR######O################# 0.750 0.050 0.050 1.50', & 'COLOUR######S################# 1.000 1.000 0.025 1.85', & 'COLOUR######H################# 1.000 1.000 1.000 1.20', & 'COLOUR######P################# 0.050 0.750 0.050 1.80', & 'COLOUR######################## 1.000 0.000 1.000 2.00' & / c c Critical values for probability ellipsoids of a trivariate normal c distribution. From Table 6.1 of ORTEP-III manual (Oak Ridge National c Laboratory Report ORNL-6895, 1996). Tabulated below in increments of c 2% in probability. Default contours enclose a probability level of c 50% (critical value 1.5382). c data problevel / 0.4299, 0.5479, 0.6334, 0.7035, 0.7644, & 0.8192, 0.8694, 0.9162, 0.9605, 1.0026, & 1.0430, 1.0821, 1.1200, 1.1570, 1.1932, & 1.2288, 1.2638, 1.2985, 1.3330, 1.3672, & 1.4013, 1.4354, 1.4695, 1.5037, 1.5382, & 1.5729, 1.6080, 1.6436, 1.6797, 1.7164, & 1.7540, 1.7924, 1.8318, 1.8724, 1.9144, & 1.9580, 2.0034, 2.0510, 2.1012, 2.1544, & 2.2114, 2.2730, 2.3404, 2.4153, 2.5003, & 2.5997, 2.7216, 2.8829, 3.1365, 6.0000 / c c assout = noise verbose = .false. hflag = .false. acflag = .false. bcflag = .false. tflag = .false. atflag = .false. comflag = .false. suvflag = .false. cnflag = .false. ellipses = .true. hwhacky = .false. nohydro = .false. mini = .false. auto = .false. aniflag = .false. fancy = 0 prob = 0.50 radius = 0.10 nerrors = 0 c prevchain = '@' c c Gfortran is nuts wsum = 0 xsum = 0 ysum = 0 zsum = 0 sum_a = 0 sum_b = 0 do i=1,20 histogram(i) = 0 enddo do i=1,110 adist(i) = 0 hdist(i) = 0 enddo do i = 1,3 do j = 1,3 Rr(i,j) = 0 enddo enddo do i = 1,4 eigens(i) = 0 do j = 1,4 evecs(i,j) = 0 evecinv(i,j) = 0 evecit(i,j) = 0 qq(i,j) = 0 qp(i,j) = 0 temp(i,j) = 0 U(i,j) = 0 enddo enddo do i = 1,5 Xmom(i) = 0 enddo c narg = iargc() i = 1 5 continue call getarg( i, flags ) if (flags(1:5) .eq. '-help') goto 701 if (flags(1:6) .eq. '-debug') verbose = .true. if (flags(1:2) .eq. '-h') hflag = .true. if (flags(1:4) .eq. '-iso') ellipses = .false. if (flags(1:6) .eq. '-aniso') aniflag = .true. if (flags(1:4) .eq. '-rad') then i = i + 1 if (i.gt.narg) goto 701 call getarg( i, flags ) read (flags,*,err=701) radius if (radius.lt.0) radius = 0.0 end if if (flags(1:4) .eq. '-pro') then i = i + 1 if (i.gt.narg) goto 701 call getarg( i, flags ) read (flags,*,err=701) prob if (prob.le.0.) stop 'illegal probability level' * If prob > 1 assume they meant it in percent if (prob.gt.1.) prob = prob / 100. end if if (flags(1:5) .eq. '-Acol') then acflag = .true. bcflag = .false. end if if (flags(1:5) .eq. '-Bcol') then bcflag = .true. acflag = .false. i = i + 1 if (i.gt.narg) goto 701 call getarg( i, flags ) read (flags,*,err=701) Bmin i = i + 1 if (i.gt.narg) goto 701 call getarg( i, flags ) read (flags,*,err=701) Bmax endif if (flags(1:6) .eq. '-fancy') then if (flags(7:7).eq.'0') then fancy = 0 else if (flags(7:7).eq.'1') then fancy = 1 else if (flags(7:7).eq.'2') then fancy = 2 else if (flags(7:7).eq.'3') then fancy = 3 else if (flags(7:7).eq.'4') then fancy = 4 else if (flags(7:7).eq.'5') then fancy = 5 else if (flags(7:7).eq.'6') then fancy = 6 else fancy = 1 endif endif if (flags(1:4) .eq. '-tab') then tflag = .true. hflag = .true. acflag = .false. bcflag = .false. fancy = 0 do j=1,MAXATM anisi(j) = 0.0 end do hislun = NOISE if (i.ge.narg) goto 799 call getarg(i+1,flags) if (flags(1:1) .ne. '-') then hislun = 1 open(unit=hislun,file=flags,status='UNKNOWN' & ) i = i + 1 endif endif if (flags(1:4) .eq. '-com') then comflag = .true. comlun = NOISE if (i.ge.narg) goto 799 call getarg(i+1,flags) if (flags(1:1) .ne. '-') then comlun = 2 open(unit=comlun,file=flags,status='UNKNOWN' & ) i = i + 1 endif endif if (flags(1:4) .eq. '-suv') then suvflag = .true. suvlun = NOISE suvlimit = 0.975 if (i.ge.narg) goto 799 call getarg(i+1,flags) if (flags(1:1) .ne. '-') then read (flags,*,err=701) suvlimit i = i + 1 endif endif if (flags(1:9) .eq. '-cn_check') then cnflag = .true. cnlun = NOISE cn_min_ccuij = 0.95 if (i.ge.narg) goto 799 call getarg(i+1,flags) if (flags(1:1) .ne. '-') then cnlun = 3 open(unit=cnlun,file=flags,status='UNKNOWN') i = i + 1 endif endif if (flags(1:8) .eq. '-by_atom') then atflag = .true. endif if (flags(1:8) .eq. '-nohydro') then nohydro = .true. endif if (flags(1:8) .eq. '-mini') then mini = .true. auto = .true. endif if (flags(1:8) .eq. '-auto') then auto = .true. endif c i = i + 1 if (i.le.narg) goto 5 goto 799 701 continue write (noise,*) 'Raster3D Thermal Ellipsoid Program ', & VERSION write (noise,'(/,A)') 'syntax:' write (noise,'(A)') & 'rastep [-h] [-iso] [-Bcolor Bmin Bmax] [-prob Plevel]' write (noise,'(A)') & ' [-fancy[0-6]] [-radius R] [-auto]' write (noise,'(A,A)') & ' [-nohydrogens] [-suv [suv_limit]] [-cn_check [cnfile]]' write (noise,'(A,A)') & ' [-tabulate [tabfile]] [-by_atomtype] [-com [comfile]]' call exit(-1) 799 continue c c Critical values for the radius corresponding to a sphere c enclosing the requested probability level are taken from c Table 6.1 of the ORTEP manual iprob = (prob+0.01)*50. pradius = problevel(iprob) c write (noise,800) write (noise,*) 'Raster3D Thermal Ellipsoid Program ', & VERSION write (noise,*) 'E A Merritt - 11 Mar 2010' write (noise,800) 800 format('************************************************') c if (.not.ellipses) then write (noise,801) float(iprob)/50. 801 format(' Spheres will bound Biso probability level', f5.2) else write (noise,802) float(iprob)/50. 802 format(' Ellipsoids will bound probability level', f5.2) endif write (noise,803) pradius 803 format(' Corresponding critical value ', f7.4) if (aniflag) write (noise,*) & ' Isotropic atoms will be included in the analysis' c if (acflag) then write (noise,*) 'Atoms will be colored based on Anisotropy' endif c if (bcflag) then write (noise,*) 'Atom colors will be assigned based on Biso' write (noise,*) ' from dark blue = Bmin =', Bmin write (noise,*) ' to light red = Bmax =', Bmax Umin = Bmin / (8. * 3.14159*3.14159) Umax = Bmax / (8. * 3.14159*3.14159) Umin = Umin Umax = Umax endif c if (.not. hflag) then WRITE(OUTPUT,'(A,A,I5,A)') & 'Raster3D thermal ellipsoid program ',VERSION, & INT(prob*100.+0.5), '% probability bounds' if (mini) then WRITE(OUTPUT,'(A)') '22 26 tiles in x,y' else WRITE(OUTPUT,'(A)') '80 64 tiles in x,y' endif WRITE(OUTPUT,'(A)') ' 8 8 pixels (x,y) per tile' WRITE(OUTPUT,'(A)') '4 3x3 virtual pixels -> 2x2 pixels' WRITE(OUTPUT,'(A)') '1 1 1 white background' WRITE(OUTPUT,'(A)') 'F no, shadows are dorky' WRITE(OUTPUT,'(A)') '25 Phong power' WRITE(OUTPUT,'(A)') '0.15 secondary light contribution' WRITE(OUTPUT,'(A)') '0.05 ambient light contribution' WRITE(OUTPUT,'(A)') '0.25 specular reflection component' WRITE(OUTPUT,'(A)') '0.0 No perspective' WRITE(OUTPUT,'(A)') '1 1 1 main light source position' end if c if (auto) then ASPECT = 22./26. else ASPECT = 80./64. endif c NCOL = 0 NATM = 0 NANI = 0 nanis = 0 niso = 0 nhyd = 0 nonpos = 0 10 CONTINUE READ(INPUT,'(A80)',END=50) CARD IF (CARD(1:4).EQ.'COLO') THEN NCOL = NCOL + 1 IF (NCOL.GT.MAXCOL) THEN WRITE(NOISE,*) 'Colour table overflow. Increase ', & 'MAXCOL and recompile.' STOP 10 ENDIF READ(CARD,'(6X,A24,3F8.3,F6.2)') MASK(NCOL), & (RGB(I,NCOL),I=1,3), VDW(NCOL) ELSEIF (nohydro .AND. CARD(77:78).EQ.' H') THEN goto 10 ELSEIF (CARD(1:6).EQ.'ANISOU') THEN nani = nani + 1 if (card(13:27).ne.atom(natm)(13:27)) goto 14 read (card(29:70),*,err=12,end=12) (uij(i,natm),i=1,6) do i=1,6 uij(i,natm) = uij(i,natm) * 0.0001 enddo noerr = 1 do i=1,3 if (uij(i,natm).eq.0.0) then uij(i,natm) = 0.0001 noerr = 0 endif enddo if (noerr.eq.0) goto 15 ELSEIF (CARD(1:4).EQ.'ATOM'.OR.CARD(1:4).EQ.'HETA') THEN NATM = NATM + 1 IF (NATM.GT.MAXATM) THEN WRITE(NOISE,*) 'Atom array overflow. Increase ', & 'MAXATM and recompile.' STOP 20 ENDIF ATOM(NATM) = CARD uij(1,natm) = -1.0 ELSEIF (CARD(1:3).EQ.'END') THEN GO TO 50 ENDIF GO TO 10 12 write(noise,*) '*** Format problem - ', card(13:70) nerrors = nerrors + 1 goto 10 14 write(noise,*) '*** ANISOU record out of order - ', card(13:70) nerrors = nerrors + 1 goto 10 15 write(noise,*) '*** Illegal ANISOU values - ', card(13:70) nerrors = nerrors + 1 goto 10 * Come here when EOF or 'END' record is reached 50 CONTINUE IF (NATM.EQ.0) THEN WRITE(NOISE,*) 'No atoms in input.' STOP 30 ENDIF * Load default colors after any that were read in IF (NCOL.LE.MAXCOL-DEFCOLS) THEN DO i = 1,DEFCOLS NCOL = NCOL + 1 READ(defcol(i),'(6X,A24,3F8.3,F6.2)') MASK(NCOL), & (RGB(J,NCOL),J=1,3), VDW(NCOL) ENDDO ENDIF * IF (NCOL.EQ.0) THEN WRITE(NOISE,*) 'No colours in input.' STOP 40 ENDIF XMAX = -1E20 XMIN = 1E20 YMAX = -1E20 YMIN = 1E20 ZMAX = -1E20 ZMIN = 1E20 DO 100 IATM=1,NATM CARD = ATOM(IATM) c c Do a little pre-processing to make later bookkeeping easier c At least screen out non-conformant PDB files that contain c something obviously not an element type in columns 77:78 c Hydrogen naming conventions are totally messed up. c if (atflag) then resname = card(18:20) c if (resname.eq.'MET' .and. card(14:15).eq.'SD') then c atom(iatm)(77:78) = 'SD' c end if if ( resname.eq.'HOH' .or. resname.eq.'H2O' & .or. resname.eq.'WAT') then atom(iatm)(77:78) = 'OW' end if if (atom(iatm)(78:78).ge.'0' .and. atom(iatm)(78:78).le.'9') & atom(iatm)(77:78) = ' ' end if if (nohydro .and. atom(iatm)(77:78).eq.' ') then do 70 i = 13,16 if (atom(iatm)(i:i).eq.' ') goto 70 if (atom(iatm)(i:i).ge.'1' & .and. atom(iatm)(i:i).le.'4') goto 70 if (atom(iatm)(i:i).ne.'H') goto 71 atom(iatm)(77:78) = ' H' 70 continue 71 continue end if c TEST = CARD(7:30) DO 80 ICOL=1,NCOL IF (MATCH(TEST,MASK(ICOL))) THEN READ(CARD,'(30X,3F8.3,6X,F6.2)',end=82,err=82) & X,Y,Z, Biso(IATM) IF (Biso(IATM).LE.0.0) THEN nerrors = nerrors + 1 write(noise,*) '*** Illegal Biso ',Biso(IATM),' - ', & atom(iatm)(13:27) Biso(IATM) = 0.0 ENDIF Uiso = Biso(IATM) / (8. * 3.14159*3.14159) SPAM(1,IATM) = X SPAM(2,IATM) = Y SPAM(3,IATM) = Z SPAM(4,IATM) = Uiso SPAM(5,IATM) = ICOL RAD = sqrt(Uiso) * PRADIUS XMAX = MAX(XMAX,X+RAD) XMIN = MIN(XMIN,X-RAD) YMAX = MAX(YMAX,Y+RAD) YMIN = MIN(YMIN,Y-RAD) ZMAX = MAX(ZMAX,Z+RAD) ZMIN = MIN(ZMIN,Z-RAD) c atomtype = CARD(77:78) c if (atomtype.ne.' ') then c weight = amass(atomtype) c else weight = 13.4 wsum = wsum + weight xsum = xsum + weight * X ysum = ysum + weight * Y zsum = zsum + weight * Z if (uij(1,iatm).lt.0 .and. aniflag) then uij(1,iatm) = Uiso uij(2,iatm) = Uiso uij(3,iatm) = Uiso uij(4,iatm) = 0.0 uij(5,iatm) = 0.0 uij(6,iatm) = 0.0 c write(0,*) 'Setting Uiso for atom ',card endif GO TO 100 ENDIF 80 CONTINUE WRITE(NOISE,*) 'No colour table mask matches this atom:' WRITE(NOISE,*) ATOM(IATM) STOP 90 82 continue write(noise,*) 'Input format problem in record' write(noise,*) CARD STOP 90 100 CONTINUE XMID = (XMAX+XMIN)/2. YMID = (YMAX+YMIN)/2. ZMID = (ZMAX+ZMIN)/2. TX = -XMID TY = -YMID TZ = -ZMID xcom = xsum / wsum ycom = ysum / wsum zcom = zsum / wsum IF (ASPECT.GE.1.) THEN * The X direction is wider than the Y XROOM = ASPECT YROOM = 1. ZROOM = 2. ELSE XROOM = 1. YROOM = ASPECT ZROOM = 2. ENDIF XSPAN = XMAX-XMIN YSPAN = YMAX-YMIN ZSPAN = ZMAX-ZMIN SCALE = MAX(XSPAN/XROOM,YSPAN/YROOM,ZSPAN/ZROOM) * Leave a little extra room as a border: SCALE = SCALE / 0.90 if (mini) then scale = sqrt(xspan**2+yspan**2+zspan**2) * aspect if (scale .lt. 9.) scale = 9. end if * * These are for the center-of-mass table DMAX = MAX( ABS(XMAX-XCOM), ABS(XMIN-XCOM) )**2 & + MAX( ABS(YMAX-YCOM), ABS(YMIN-YCOM) )**2 & + MAX( ABS(ZMAX-ZCOM), ABS(ZMIN-ZCOM) )**2 DMAX = SQRT(DMAX) dshells = 100 * if (.not. hflag) then WRITE(OUTPUT,120) TX,TY,TZ,SCALE 120 FORMAT('1 0 0 0 input co-ordinate + radius transformation'/ & '0 1 0 0'/ & '0 0 1 0'/ & 4F10.3) WRITE(OUTPUT,'(A)') '3 mixed object types' WRITE(OUTPUT,'(A)') '*' WRITE(OUTPUT,'(A)') '*' WRITE(OUTPUT,'(A)') '*' end if c c Auto-orientation c 25-Aug-1999 c Find Eigenvectors of moment of inertia tensor. c Arrange smallest Eigenvalue along Y, largest along Z. c Problems: c - Could emphasize side-chain over backbone by ignoring c atoms O and N, but in practice this doesn't seem to help much. c - Scaling is wrong, because it was done before rotation. c if (auto) then do 125 iatm = 1, natm if (atom(iatm)(1:4).ne.'ATOM' & .and. atom(iatm)(1:4).ne.'HETA') goto 125 C if (atom(iatm)(13:15).eq.' O ') goto 125 C if (atom(iatm)(13:15).eq.' N ') goto 125 if (atom(iatm)(77:78).eq.' H' .and. nohydro) goto 125 x = spam(1,iatm) - xcom y = spam(2,iatm) - ycom z = spam(3,iatm) - zcom Rq = (x*x + y*y + z*z) Rv = sqrt(Rq) Rr(1,1) = Rr(1,1) + x*x Rr(1,2) = Rr(1,2) + x*y Rr(1,3) = Rr(1,3) + x*z Rr(2,1) = Rr(2,1) + y*x Rr(2,2) = Rr(2,2) + y*y Rr(2,3) = Rr(2,3) + y*z Rr(3,1) = Rr(3,1) + z*x Rr(3,2) = Rr(3,2) + z*y Rr(3,3) = Rr(3,3) + z*z Xmom(1) = Xmom(1) + 1. Xmom(2) = Xmom(2) + Rv Xmom(3) = Xmom(3) + Rq Xmom(4) = Xmom(4) + Rv*Rq Xmom(5) = Xmom(5) + Rq*Rq 125 continue if (verbose) then write (NOISE,'(/,A,5G13.5)') ' Radial moments:',Xmom write (NOISE,'(A)') ' Moment of inertia tensor' end if Rg = sqrt(Xmom(3)/Xmom(1)) U(1,1) = Xmom(3) U(2,2) = Xmom(3) U(3,3) = Xmom(3) do k = 1,3 do l = 1,3 U(k,l) = (U(k,l) - Rr(k,l)) / Xmom(1) end do if (verbose) write (NOISE,'(3G13.6)') (U(k,l),l=1,3) end do call jacobi( U, 3, 4, Eigens, Evecs ) c Re-order so that long axis is vertical, short axis towards viewer kmax = 1 if (Eigens(2).gt.Eigens(kmax)) kmax = 2 if (Eigens(3).gt.Eigens(kmax)) kmax = 3 kmin = 1 if (Eigens(2).le.Eigens(kmin)) kmin = 2 if (Eigens(3).le.Eigens(kmin)) kmin = 3 kmid = 6 - (kmin + kmax) if (verbose) then write (NOISE,'(A,/,3F13.5,10X,3i2)') ' Eigenvalues:', & Eigens(kmin),Eigens(kmid),Eigens(kmax) & ,kmin,kmid,kmax write (NOISE,'(A)') ' Eigenvectors:' do k = 1,3 write (NOISE,'(3F13.5)') & Evecs(k,kmin),Evecs(k,kmid),Evecs(k,kmax) enddo end if do k = 1,3 U(k,1) = Evecs(k,kmid) U(k,2) = Evecs(k,kmin) U(k,3) = Evecs(k,kmax) U(k,4) = 0.0 U(4,k) = 0.0 enddo U(4,4) = 1.0 c Beware! may be left-handed at this point! det = tinv4( evecinv, U ) if (det .lt. 0.0) then do k = 1,3 U(k,3) = -U(k,3) enddo endif c OK, now it should be right-handed WRITE(OUTPUT,'(A)') '# Auto-orientation matrix' WRITE(OUTPUT,'(A)') '16' WRITE(OUTPUT,'(A)') 'ROTATION' do k = 1,3 write (OUTPUT,'(3F13.5)') U(1,k),U(2,k),U(3,k) enddo WRITE(OUTPUT,'(A)') '# End auto-orientation' end if c c Label output records c if (.not. tflag) then WRITE(OUTPUT,'(A,A)') & '# Thermal ellipsoids from Rastep Version ',VERSION WRITE(OUTPUT,'(A,F5.2)') '# Probability level',float(iprob)/50. end if c c Write ellipsoids to input file for render c IF (fancy.eq.0 .and. .not.tflag) GOTO 139 c c First, optional pass, to write fancy stuff associated with ellipsoids c IATM = 1 130 CONTINUE IF (ATOM(IATM)(1:4).EQ.'ATOM' .OR. & ATOM(IATM)(1:4).EQ.'HETA') THEN X = SPAM(1,IATM) Y = SPAM(2,IATM) Z = SPAM(3,IATM) ICOL = SPAM(5,IATM) if (bcflag) then call U2RGB( SPAM(4,IATM), Umin, Umax, RED, GREEN, BLUE ) RED = RED*RED GREEN = GREEN*GREEN BLUE = BLUE*BLUE else if (acflag) then call A2RGB( 1.0, RED, GREEN, BLUE ) RED = RED*RED GREEN = GREEN*GREEN BLUE = BLUE*BLUE else RED = RGB(1,ICOL) GREEN = RGB(2,ICOL) BLUE = RGB(3,ICOL) endif IF (ellipses .and. uij(1,iatm).ge.0.) THEN do i=1,6 anisou(i) = uij(i,iatm) enddo if (anitoquad(anisou,pradius,quadric,eigens,evecs).lt.0)then write(noise,*) '*** Non-positive definite ellipsoid - ', & atom(iatm)(13:27) nonpos = nonpos + 1 nerrors = nerrors + 1 Biso(iatm) = 0.0 goto 138 endif goto 132 132 continue radlim = pradius * max( eigens(1),eigens(2),eigens(3) ) radlim = radlim * MARGIN c c Only for debugging ellipsoids if (verbose) then write (noise,901) 'ANISOU ',X,Y,Z,ANISOU write (noise,902) 'QUADRIC',QUADRIC write (noise,903) 'Eigenvalues', (EIGENS(i),i=1,3), & 'prob', prob,'limiting radius', radlim write (noise,904) 'Evecs ',((evecs(i,j),i=1,3),j=1,3) endif 901 format(a,3f8.3,6f8.4) 902 format(a,10f8.3) 903 format(a,3f8.3,4x,a,f8.3,4x,a,f8.3) 904 format(a,9f7.3) c c Tabulate principal axes of ellipsoid for each atom if (tflag) then do i=1,3 Uprin(i) = eigens(i)**2 enddo if (Uprin(2).gt.Uprin(1)) then Umean = Uprin(1) Uprin(1) = Uprin(2) Uprin(2) = Umean endif if (Uprin(3).gt.Uprin(1)) then Umean = Uprin(1) Uprin(1) = Uprin(3) Uprin(3) = Umean endif if (Uprin(3).gt.Uprin(2)) then Umean = Uprin(2) Uprin(2) = Uprin(3) Uprin(3) = Umean endif c c Anisotropy we define as Umin / Umax c as in shelxpro output anisotropy = min(Uprin(1),Uprin(2),Uprin(3)) & / max(Uprin(1),Uprin(2),Uprin(3)) c c But don't count atoms which are perfectly isotropic if (atom(iatm)(77:78).eq.' H') then nhyd = nhyd + 1 if (anisotropy .ne. 1.0) hwhacky = .true. else if (anisotropy .eq. 1.0) then niso = niso + 1 else anisi(iatm) = anisotropy sum_A = sum_A + anisotropy sum_B = sum_B + Biso(iatm) nanis = nanis + 1 end if c c Ellipticity we define as 1 / anisotropy if (anisotropy.eq.0) then ellipticity = 0 else ellipticity = 1. / anisotropy end if c c Longhi et al (1997) JMB 268, 779-799. c proposed another measure A = sigU / meanU Umean = (Uprin(1) + Uprin(2) + Uprin(3)) / 3.0 Usigma = (Uprin(1)-Umean)**2 & + (Uprin(2)-Umean)**2 + (Uprin(3)-Umean)**2 Usigma = sqrt( Usigma ) / 3.0 alonghi = Usigma / Umean c c Might want to check correlation with Uiso Uiso = SPAM(4,iatm) c c Cosmetic changes to atom identifier for the sake of sorting c We will force there to be exactly three entities printed. c PDB format is just a mess: c cols 13:16 atom c col 17 alternate conf c cols 18:20 residue c col 22 chain c cols 23:27 resnum c do i = 16, 13, -1 if (ATOM(iatm)(i:i) .ne. ' ') j = i enddo do i = 13, 17 if (ATOM(iatm)(i:i) .ne. ' ') k = i enddo do i = j, k if (ATOM(iatm)(i:i) .eq. ' ') ATOM(iatm)(i:i) = '_' enddo c if (ATOM(iatm)(17:17) .ne. ' ') then c do i = 18,19 c if (ATOM(iatm)(i:i) .eq. ' ') ATOM(iatm)(i:i) = '_' c enddo c endif spacer = ' ' if (ATOM(iatm)(22:22) .ne. ' ') then spacer = '_' do i = 23,25 if (ATOM(iatm)(i:i) .eq. ' ') ATOM(iatm)(i:i) = '_' enddo endif write (output,905) ATOM(iatm)(13:17), & ATOM(iatm)(18:22),spacer,ATOM(iatm)(23:27), & Uprin(1),Uprin(2),Uprin(3),anisotropy,Uiso 905 format(A5,1X,A5,A1,A5,3F9.4,2X,F9.4,F9.4,F9.4) c c Also make a histogram of anisotropies i = anisotropy * 20. + 1 histogram(i) = histogram(i) + 1 c c And a table of by distance from center of mass if (comflag .and. anisotropy.lt.1.0) then dist = sqrt( (SPAM(1,iatm)-XCOM)**2 & + (SPAM(2,iatm)-YCOM)**2 & + (SPAM(3,iatm)-ZCOM)**2 ) i = (dist/dmax) * float(dshells) + 1 adist(i) = adist(i) + anisotropy hdist(i) = hdist(i) + 1 endif c c End tabulation code endif c c Skip hydrogens if requested if (nohydro .and. ATOM(IATM)(77:78).eq.' H') goto 138 c c Draw principal axes inside bounding ellipsoid if (fancy.eq.1) then do i=1,3 size = eigens(i) * pradius - 0.02 start(1) = x - size*evecs(1,i) start(2) = y - size*evecs(2,i) start(3) = z - size*evecs(3,i) end(1) = x + size*evecs(1,i) end(2) = y + size*evecs(2,i) end(3) = z + size*evecs(3,i) write (output,907) start, end 907 format(' 3',/, & 3f9.3,' 0.02',3f9.3,' 0.02',' 0.5 1.0 0.3') enddo endif c c Draw longest principle axis only c (experimental use only - not supported or documented) if (fancy.eq.4) then imax = 1 if (eigens(2).gt.eigens(imax)) imax = 2 if (eigens(3).gt.eigens(imax)) imax = 3 size = eigens(imax) * pradius imin = 1 if (eigens(2).lt.eigens(imin)) imin = 2 if (eigens(3).lt.eigens(imin)) imin = 3 imed = 6 - (imax+imin) size = size * eigens(imax)/eigens(imed) start(1) = x - size*evecs(1,imax) start(2) = y - size*evecs(2,imax) start(3) = z - size*evecs(3,imax) end(1) = x + size*evecs(1,imax) end(2) = y + size*evecs(2,imax) end(3) = z + size*evecs(3,imax) write (output,907) start, end endif c c Construct 3 quadrics corresponding to the 3 orthogonal planes c through the center of our ellipsoid if (fancy.eq.2 .or. fancy.eq.3) then eigens(4) = 1.0 evecs(4,4)= 1.0 det = tinv4( evecinv, evecs ) call trnsp4( evecit, evecinv ) do k = 1,3 do i = 1,4 do j = 1,4 QQ(i,j) = 0.0 enddo QQ(i,i) = 1. / (eigens(i)*eigens(i)) enddo QQ(k,k) = 1000. QQ(4,4) = -pradius*pradius call tmul4( TEMP, QQ, evecinv ) call tmul4( QP, evecit, TEMP ) if (acflag) then call A2RGB( anisotropy, red, green, blue ) red = red*red green = green*green blue = blue*blue endif write (output,151) 14, X,Y,Z, radlim, red, green, blue write (output,152) QP(1,1),QP(2,2),QP(3,3),QP(1,2),QP(2,3), & QP(1,3),QP(1,4),QP(2,4),QP(3,4),QP(4,4) enddo endif c endif ENDIF 138 continue IATM = IATM + 1 IF (IATM.LE.NATM) GOTO 130 c c Set transparency for enclosing ellipoids if (fancy.eq.1 .or. fancy.eq.3) then write (output,'(A,/,A)') '9 Begin transparent ellipsoids','8 ' write (output,'(A)') ' 15. 0.6 1.0 1.0 1.0 0.6 0 0 0 0' else if (fancy.eq.2 .or. fancy.eq.4) then goto 160 endif c 139 CONTINUE c c If we're just tabulating ellipticity, start making tables c if (tflag) then total = 0 do i = 1,20 total = total + histogram(i) end do if (total.eq.0) then write (noise,*) 'No ANISOU records found' call exit(-1) end if if (nanis.eq.0) then write (noise,*) 'No anisotropic atoms found' call exit(-1) end if if (hwhacky) then write(noise,*) & 'You seem to have anisotropic hydrogens', & ' - is this some kind of joke?' nerrors = nerrors + 1 end if write (hislun,'(A)') '# Anisotropy Fraction Number' write (hislun,'(A)') '# range of atoms of atoms' do i = 1,20 write (hislun,'(2F5.2,3X,F8.3,I10)') & (float(i)-1.)/20., float(i)/20., & float(histogram(i))/total, histogram(i) end do c Calculate mean and sigma of distribution sum_a2 = 0.0 sum_b2 = 0.0 sum_ab = 0.0 anis_mean = sum_A / float(nanis) anis_sigma = 0.0 biso_mean = sum_B / float(nanis) ccoef = 0.0 do i = 1,NATM if (anisi(i).ne.0) then sum_a2 = sum_a2 + (anisi(i) - anis_mean)**2 sum_b2 = sum_b2 + (Biso(i) - biso_mean)**2 sum_ab = sum_ab & + (anisi(i)-anis_mean) * (Biso(i)-biso_mean) end if end do if (nanis.gt.1) then anis_sigma = sqrt( sum_a2 / float(nanis-1) ) ccoef = sum_ab / sqrt(sum_a2 * sum_b2) end if write (hislun,'(A)') '#' write (hislun,'(A,I10)')'# number of ANISOU records:',nani write (hislun,'(A,I10)')'# non-isotropic atoms:',nanis write (hislun,'(A,I10)')'# isotropic atoms:',niso if (nonpos.gt.0) & write (hislun,'(A,I10)')'# nonpositive-definite APDs:',nonpos if (nhyd.gt.0) & write (hislun,'(A,I10)')'# ANISOU hydrogens:',nhyd write (hislun,'(A)') '#' write (hislun,'(A,F7.3)') & '# correlation of anisotropy with B_iso:', ccoef write (hislun,'(A)') '#' write (hislun,'(A)') '# Anisotropy B_iso' write (hislun,'(A)') '# AtomType mean sigma mean number' write (hislun,'(A)') '# --------- ----------- ------ ------' write (hislun,'(A,F7.3,F7.3,F7.2,I8)') & '#| Total',anis_mean,anis_sigma,biso_mean,nanis c c If we're tabulating ellipticity, but not by atom_type, then we're done c if (.not. atflag) goto 145 140 continue c C Find an atom type we haven't done yet, exit if none left c This only works if the PDB file contains the atom type in c columns 77:78 (standard since sometime in 1997, but many c files do not conform to this standard) c do i = 1, NATM if (anisi(i).ne.0.0 .and. atom(i)(77:78).ne.' ') then atomtype = atom(i)(77:78) goto 141 end if end do goto 145 141 continue sum_A = 0.0 sum_B = 0.0 sum_a2 = 0.0 biso_mean = 0.0 natype = 0 c c Loop over atoms looking for the right ones c do i = 1, NATM if (anisi(i).ne.0.0 .and. atomtype.eq.atom(i)(77:78)) then natype = natype + 1 sum_A = sum_A + anisi(i) end if end do anis_mean = sum_A / float(natype) anis_sigma = 0.0 do i = 1, NATM if (anisi(i).ne.0.0 .and. atomtype.eq.atom(i)(77:78)) then sum_a2 = sum_a2 + (anisi(i)-anis_mean)**2 biso_mean = biso_mean + Biso(i) atom(i)(77:78) = ' ' end if end do if (natype.gt.1) anis_sigma = sqrt( sum_a2 / float(natype-1) ) biso_mean = biso_mean / float(natype) write (hislun,'(A,4X,A,F7.3,F7.3,F7.2,I8)') & '#| ',atomtype,anis_mean,anis_sigma,biso_mean,natype goto 140 end if IATM = 1 goto 150 c c Write out plot of mean anisotropy as a function of distance from c.o.m. c The hisclean routine is not strictly necessary; it collapses shells at c the extreme ranges of distance that contain only a few atoms. c 145 continue if (comflag) then write (comlun,'(A/A,A/A/A)') '#', & '# Mean anisotropy as a function of distance', & ' from center of mass', & '#', & '# Distance #atoms' call hisclean( adist, hdist, dshells, nanis ) do i = 1, dshells if (hdist(i).gt.0) then adist(i) = adist(i) / float(hdist(i)) dmid = (dmax/float(dshells))*(float(i)-0.5) write (comlun,146) dmid, adist(i), hdist(i) endif enddo 146 format(F10.3,F10.3,I10) endif if (suvflag.or.cnflag) goto 160 call exit(0) c c Second pass write a single sphere or ellipsoid for each atom c 150 CONTINUE IF (ATOM(IATM)(1:4).EQ.'ATOM' .OR. & ATOM(IATM)(1:4).EQ.'HETA') THEN if (nohydro .and. ATOM(IATM)(77:78).eq.' H') goto 154 X = SPAM(1,IATM) Y = SPAM(2,IATM) Z = SPAM(3,IATM) ICOL = SPAM(5,IATM) if (bcflag) then call U2RGB( SPAM(4,IATM), Umin, Umax, RED, GREEN, BLUE ) RED = RED*RED GREEN = GREEN*GREEN BLUE = BLUE*BLUE else if (acflag) then call A2RGB( 1.0, RED, GREEN, BLUE ) RED = RED*RED GREEN = GREEN*GREEN BLUE = BLUE*BLUE else RED = RGB(1,ICOL) GREEN = RGB(2,ICOL) BLUE = RGB(3,ICOL) endif IF (.not. ellipses) THEN RAD = sqrt(SPAM(4,IATM)) * PRADIUS WRITE(OUTPUT,151) 2, X,Y,Z,RAD,RED,GREEN,BLUE ELSE IF (uij(1,iatm).gt.0.) THEN do i=1,6 anisou(i) = uij(i,iatm) enddo if (anitoquad(anisou,pradius,quadric,eigens,evecs).lt.0)then write(noise,*) '*** Non-positive definite ellipsoid - ', & atom(iatm)(13:26) nerrors = nerrors + 1 Biso(iatm) = 0.0 red = 1.0 green = 0.0 blue = 1.0 endif radlim = pradius * max( eigens(1),eigens(2),eigens(3) ) radlim = radlim * MARGIN if (acflag) then anisotropy = min( eigens(1),eigens(2),eigens(3) ) & / max( eigens(1),eigens(2),eigens(3) ) anisotropy = anisotropy * anisotropy call A2RGB( anisotropy, red, green, blue ) red = red*red green = green*green blue = blue*blue endif if (fancy.eq.5 .or. fancy.eq.6) then write (output,'(I2,/,A,I2,/,A)') 8, & ' -1.0 -1.0 -1.0 -1.0 -1.0 0.0 0 0 0', & fancy-1, 'ORTEP_LIKE' if (fancy.eq.6) write (output,171) 0.5, 0.5, 0.5 write (output,172) 0, x,y,z, (evecs(i,1),i=1,3) write (output,172) 0, x,y,z, (evecs(i,2),i=1,3) write (output,172) 0, x,y,z, (evecs(i,3),i=1,3) 171 format('BOUNDING_COLOR ',3F6.3) 172 format('BOUNDING_PLANE ',I2,6F10.4) endif write (output,151) 14, x,y,z,radlim,red,green,blue write (output,152) (quadric(i),i=1,10) ELSE RAD = sqrt(SPAM(4,IATM)) * PRADIUS WRITE(OUTPUT,151) 2, X,Y,Z,RAD,RED,GREEN,BLUE 151 FORMAT(I2,/,3(1X,F8.3),4F8.3) 152 FORMAT(10F12.4) ENDIF goto 154 ENDIF 154 continue IATM = IATM + 1 IF (IATM.LE.NATM) GOTO 150 IF (fancy.eq.1 .or. fancy.eq.3) then write (output,'(A)') '9 end transparent ellipsoids' endif IF (fancy.eq.5 .or. fancy.eq.6) then write (output,'(A)') '9 end ortep ellipsoids' endif 160 continue c c Write bonds to file also. Atoms are considered bonded if they lie c closer to each other than 0.6 * sum of VDW radii. C If two atoms of different colors are bonded, make half-bond C cylinders with each color. C if (nerrors.eq.0) write(noise,*) & '... no errors found in input file' if (radius.eq.0.0 .and. .not.suvflag .and. .not.cnflag) goto 210 if (suvflag) then write (suvlun,'(A,A,F5.3,A)') & 'Checking for neighboring atoms with dissimilar Uij ', & '(Suv < ',suvlimit,')...' suvbad = 0 endif if (cnflag) then write (NOISE,'(A,F5.3)') & 'Checking for C-N linkages with CCuij < ', cn_min_ccuij cnbad = 0 endif c DO 202 IATM=1,NATM IF (nohydro .AND. ATOM(IATM)(77:78).EQ.' H') GOTO 202 if (suvflag .or. cnflag) then if (Biso(IATM).eq.0.0) goto 202 if (uij(1,IATM).lt.0.) goto 202 endif XI = SPAM(1,IATM) YI = SPAM(2,IATM) ZI = SPAM(3,IATM) ICOL = SPAM(5,IATM) VDWI = VDW(ICOL) DO 201 JATM=IATM+1,NATM CLOSE2 = 4.537 DX2 = (XI - SPAM(1,JATM))**2 if (dx2 .gt. close2) goto 201 DY2 = (YI - SPAM(2,JATM))**2 if (dy2 .gt. close2) goto 201 DZ2 = (ZI - SPAM(3,JATM))**2 DIST2 = DX2 + DY2 + DZ2 c c Checking for bonded atoms with dissimilar Uij if (suvflag .or. cnflag) then IF (DIST2 .GT. CLOSE2) GOTO 201 IF (Biso(JATM).eq.0.0) goto 180 if (uij(1,jatm).lt.0.) goto 180 CDEBUG Version 2.6c used explicit test on 0.6*VdW distance CDEBUG but this is very slow so I have fixed CLOSE2 at the C-S bond length CDEBUG It might be worth doing a first cut using, say, 2.25A (>S-S bond) CDEBUG and then only check the actual VdW distance for pairs making the cut C JCOL = SPAM(5,JATM) C VDWJ = VDW(JCOL) C CLOSE2 = (0.6 * (VDWI + VDWJ)) **2 C IF (DIST2 .GT. CLOSE2) GOTO 201 CDEBUG Add this section back to see if results match V2.6c numbers similarity = Suv( uij(1,iatm), uij(1,jatm) ) if (suvflag .and. (similarity .lt. suvlimit)) then write (suvlun,161) & ATOM(IATM)(13:17),ATOM(IATM)(18:27), & ATOM(JATM)(13:17),ATOM(JATM)(18:27), & similarity suvbad = suvbad + 1 161 format(1X,A5,1X,A10,8X,A5,1X,A10,4X,'Suv = ',F8.4) endif c c Check in particular for C-N links that may be TLS group boundaries 180 continue if (cnflag) then ccuijpair = 0 if ((ATOM(IATM)(13:15) .eq. ' C ') .and. (ATOM(JATM)(13:15) .eq. ' N ')) then ccuijpair = 1 endif if ((ATOM(IATM)(13:15) .eq. ' O3') .and. (ATOM(JATM)(13:15) .eq. ' P ')) then ccuijpair = 2 endif if (ccuijpair.ne.0) then cc = CCuv( uij(1,iatm), uij(1,jatm) ) if (ATOM(IATM)(22:22).ne.prevchain) then prevchain = ATOM(IATM)(22:22) write (cnlun,'(1x)') write (cnlun,'(1x)') endif name_i = ATOM(IATM)(18:27) name_j = ATOM(JATM)(18:27) if (name_i(5:5) .eq. ' ') name_i(5:5) = 'X' if (name_j(5:5) .eq. ' ') name_j(5:5) = 'X' do ichar = 6,9 if (name_i(ichar:ichar).eq.'_') name_i(ichar:ichar) = ' ' if (name_j(ichar:ichar).eq.'_') name_j(ichar:ichar) = ' ' enddo write (cnlun,182) name_i, name_j, cc if (cc .lt. cn_min_ccuij) then if (ccuijpair.eq.1) write (NOISE,183) name_i, name_j, cc if (ccuijpair.eq.2) write (NOISE,184) name_i, name_j, cc cnbad = cnbad + 1 endif 182 format(1X,A10,8X,A10,4X,'CCuij = ',F8.4) 183 format(1X,A15,8X,A15,4X,'C-N CCuij = ',F8.4) 184 format(1X,A15,8X,A15,4X,'O3''-P CCuij = ',F8.4) endif endif if (tflag) goto 201 endif c More stringent distance test when drawing bonds IF (nohydro .AND. ATOM(JATM)(77:78).EQ.' H') GOTO 201 JCOL = SPAM(5,JATM) VDWJ = VDW(JCOL) CLOSE2 = (0.6 * (VDWI + VDWJ)) **2 IF (DIST2 .GT. CLOSE2) GOTO 201 c Don't draw bonds between alternate conformers of same residue IF (ATOM(IATM)(17:17).ne.' '.and.ATOM(JATM)(17:17).ne.' ' & .and. ATOM(IATM)(17:17).ne.ATOM(JATM)(17:17)) goto 201 c c Atoms coloured by B value if (bcflag) then write(output,211) 1 SPAM(1,IATM),SPAM(2,IATM),SPAM(3,IATM),radius, 2 SPAM(1,JATM),SPAM(2,JATM),SPAM(3,JATM),radius, 3 1.0, 1.0, 1.0 call U2RGB( SPAM(4,IATM), Umin, Umax, RED1, GREEN1, BLUE1 ) call U2RGB( SPAM(4,JATM), Umin, Umax, RED2, GREEN2, BLUE2 ) write(output,212) 1 RED1,GREEN1,BLUE1, RED2,GREEN2,BLUE2, 0., 0., 0. c Same color atoms elseif (RGB(1,ICOL) .EQ. RGB(1,JCOL) .AND. 1 RGB(2,ICOL) .EQ. RGB(2,JCOL) .AND. 2 RGB(3,ICOL) .EQ. RGB(3,JCOL)) THEN WRITE(OUTPUT,211) 1 SPAM(1,IATM),SPAM(2,IATM),SPAM(3,IATM),radius, 2 SPAM(1,JATM),SPAM(2,JATM),SPAM(3,JATM),radius, 3 RGB(1,ICOL),RGB(2,ICOL),RGB(3,ICOL) ELSE DO K=1,3 center(K) = (SPAM(K,IATM)+SPAM(K,JATM))/2 ENDDO WRITE(OUTPUT,211) 1 SPAM(1,IATM),SPAM(2,IATM),SPAM(3,IATM),radius, 2 center(1),center(2),center(3),radius, 3 RGB(1,ICOL),RGB(2,ICOL),RGB(3,ICOL) WRITE(OUTPUT,211) 1 center(1),center(2),center(3),radius, 2 SPAM(1,JATM),SPAM(2,JATM),SPAM(3,JATM),radius, 3 RGB(1,JCOL),RGB(2,JCOL),RGB(3,JCOL) ENDIF 201 CONTINUE 202 CONTINUE 210 CONTINUE C211 FORMAT(1H3,/,11(f8.3)) 211 FORMAT(1H3,/,3(1x,f8.3),f7.3,3(1x,f8.3),f7.3,3(f6.3)) 212 FORMAT(2H17,/,9f8.3) c if (suvflag) then if (suvbad.eq.0) write (suvlun,*) '... No Suv outliers' endif if (cnflag) then if (cnbad.eq.0) write (suvlun,*) '... No CCuij outliers' endif if (suvflag .or. cnflag) call exit(0) c write (noise,'(/)') write (noise,156) 'X min max center-of-mass:', XMIN, XMAX, xcom write (noise,156) 'Y min max center-of-mass:', YMIN, YMAX, ycom write (noise,156) 'Z min max center-of-mass:', ZMIN, ZMAX, zcom write (noise,156) ' scale:', SCALE 156 format(1x,a,2f8.2,f10.3) END LOGICAL FUNCTION MATCH (SUBJ, MASK) CHARACTER*24 SUBJ,MASK MATCH = .FALSE. DO 10 I = 1, 24 IF (SUBJ(I:I).NE.MASK(I:I) .AND. MASK(I:I).NE.'#') RETURN 10 CONTINUE MATCH = .TRUE. RETURN END C Dummy routine to make linker happy (called by QINP in quadric.f) SUBROUTINE TRANSF (X,Y,Z) RETURN END SUBROUTINE ASSERT (LOGIC, DAMMIT) LOGICAL LOGIC CHARACTER*(*) DAMMIT COMMON /ASSOUT/ NOISE IF (LOGIC) RETURN WRITE (NOISE,*) 'ERROR >>>>>> ',DAMMIT C STOP 1234 CALL EXIT(-1) END CCC Return RGB triple that runs from dark blue at Bmin CC to light red at Bmax C subroutine U2rgb( Uiso, Umin, Umax, r, g, b ) real Uiso, Umin, Umax, r, g, b c real fraction, h, s, v c fraction = (Uiso-Umin) / (Umax-Umin) if (fraction.lt.0.) fraction = 0. if (fraction.gt.1.) fraction = 1. h = 240. * (1.-fraction) s = 0.95 v = 0.75 + fraction/4. call hsv2rgb( h, s, v, r, g, b ) return end CCC Return RGB triple that runs from CC red for A=0.0 -> white for A=0.5 -> green for A=1.0 C subroutine A2rgb( A, r, g, b ) real A, r, g, b c real fraction, h, s, v c if (A .lt. 0.5) h = 0.0 if (A .ge. 0.5) h = 120. fraction = abs( (A-0.5)*2.0 ) c s = fraction**2 s = fraction v = 1.0 - s/2.0 if (A .le. 0.0) then h = 300. v = 1.0 endif call hsv2rgb( h, s, v, r, g, b ) return end CCC Color format conversion from Hue/Saturation/Value to Red/Green/Blue CC minimal (i.e. NO) error checking C subroutine hsv2rgb( h, s, v, r, g, b ) real h, s, v, r, g, b c real f, p, q, t integer i c i = h /60. f = h/60. - float(i) p = v * (1. - s) q = v * (1. - s*f) t = v * (1. - s*(1. - f)) if (i.eq.5) then r = v g = p b = q else if (i.eq.4) then r = t g = p b = v else if (i.eq.3) then r = p g = q b = v else if (i.eq.2) then r = p g = v b = t else if (i.eq.1) then r = q g = v b = p else r = v g = t b = p endif return end CCC This subroutine is not strictly necessary. CC It smooths the histogram/curve of Anisotropy by C distance from center of mass subroutine hisclean( value, number, shells, nanis ) c integer shells real value(shells) integer number(shells) integer nanis c integer minshell, maxshell, min10, max10 integer nsum real vsum c if (nanis .lt. 1200) then shells = shells / 2 do i = 1, shells number(i) = number(2*i-1) + number(2*i) value(i) = value(2*i-1) + value(2*i) enddo endif c do i = shells, 1, -1 if (number(i).gt.0) minshell = i enddo do i = 1, shells if (number(i).gt.0) maxshell = i enddo nsum = 0 min10 = minshell do i = minshell, shells if (nsum + number(i) .gt. 10) then goto 101 else nsum = nsum + number(i) min10 = i endif enddo 101 continue nsum = 0 max10 = maxshell do i = maxshell, 1, -1 if (nsum + number(i) .gt. 10) then goto 102 else nsum = nsum + number(i) max10 = i endif enddo 102 continue c nsum = 0 vsum = 0.0 do i = minshell, min10 nsum = nsum + number(i) vsum = vsum + value(i) number(i) = 0 value(i) = 0.0 enddo i = (minshell + min10) / 2 number(i) = nsum value(i) = vsum c nsum = 0 vsum = 0.0 do i = maxshell, max10, -1 nsum = nsum + number(i) vsum = vsum + value(i) number(i) = 0 value(i) = 0.0 enddo i = (maxshell + max10) / 2 number(i) = nsum value(i) = vsum c return end Raster3D_3.0-2/./raster3d-3.0.spec0000644000471100047110000001451411522570520016224 0ustar merrittmerrittSummary: Raster3D photorealistic molecular graphics package Name: Raster3D Version: 3.0 Release: 2 %define r3dver %{name}_%{version}-%{release} License: Source freely available, redistribution restricted Source: http://www.bmsc.washington.edu/raster3d/%{name}_%{version}-%{release}.tar.gz URL: http://www.bmsc.washington.edu/raster3d Packager: Ethan A Merritt Group: Graphics BuildRoot:%{_tmppath}/%{name}-%{version}-buildroot BuildRequires: libgd-devel libtiff-devel # # You may or may not want the following definitions %define _prefix /usr/local %define _bindir %{_prefix}/bin %define _mandir %{_prefix}/man %define _datadir %{_prefix}/share %description The Raster3D molecular graphics package consists of a core rendering program and a number of ancillary programs that produce input files for rendering from PDB (Protein Data Bank) files of atomic coordinates. Raster3D can also render images composed using other programs such as Molscript or XtalView. Raster3D uses a fast Z-buffer algorithm to produce high quality pixel images featuring one shadowing light source, additional non-shadowing light sources, specular highlighting, transparency, and Phong shaded surfaces. Output is to a pixel image with 24 bits of color information per pixel. Raster3D does not depend on graphics hardware. This version is dynamically linked. Program reference and requested citation: Merritt & Bacon (1997) Meth. Enzymol. 277, 505-524. %prep %setup -q -n %{r3dver} %build make clean if [ -x $PGI/linux86/bin/pgf77 ]; then make linux-pgf77 make all FFLAGS='-O -Munroll -tp px' PLIBS='/usr/lib/libpng.a' elif [ -x /usr/bin/gfortran ]; then make linux make all FFLAGS="-g -O3 -ffixed-line-length-132 -Wtabs -fno-range-check" CFLAGS="-Dgfortran $RPM_OPT_FLAGS" else make linux make all FFLAGS="$RPM_OPT_FLAGS" CFLAGS="$RPM_OPT_FLAGS" fi # Changing R3D_LIB grep -v R3D_LIB Raster3D.csh > Raster3D.csh.$$ echo "setenv R3D_LIB %{_datadir}/Raster3D/materials" >> Raster3D.csh.$$ mv Raster3D.csh.$$ Raster3D.csh grep -v R3D_LIB Raster3D.sh > Raster3D.sh.$$ echo "export R3D_LIB=%{_datadir}/Raster3D/materials" >> Raster3D.sh.$$ mv Raster3D.sh.$$ Raster3D.sh %install rm -rf $RPM_BUILD_ROOT mkdir -p $RPM_BUILD_ROOT%{_datadir} mkdir -p $RPM_BUILD_ROOT%{_mandir} mkdir -p $RPM_BUILD_ROOT%{_bindir} make install prefix=$RPM_BUILD_ROOT%{_prefix} \ datadir=$RPM_BUILD_ROOT%{_datadir}/Raster3D/materials \ mandir=$RPM_BUILD_ROOT%{_mandir}/manl mkdir -p $RPM_BUILD_ROOT/%{_sysconfdir}/profile.d install -m755 Raster3D.{csh,sh} $RPM_BUILD_ROOT/%{_sysconfdir}/profile.d/ %clean rm -rf $RPM_BUILD_ROOT %files %defattr (-,root,root) %doc README CHANGELOG BUGS doc/R3D_manual.pdf VERSION %{_bindir}/avs2ps %{_bindir}/balls %{_bindir}/worms %{_bindir}/rastep %{_bindir}/render %{_bindir}/ribbon %{_bindir}/rings3d %{_bindir}/rods %{_bindir}/normal3d %{_bindir}/stereo3d %{_mandir}/manl/avs2ps.l %{_mandir}/manl/balls.l %{_mandir}/manl/label3d.l %{_mandir}/manl/normal3d.l %{_mandir}/manl/r3d_objects.l %{_mandir}/manl/r3dtops.l %{_mandir}/manl/rastep.l %{_mandir}/manl/raster3d.l %{_mandir}/manl/render.l %{_mandir}/manl/ribbon.l %{_mandir}/manl/rods.l %{_mandir}/manl/stereo3d.l %{_datadir}/Raster3D %{_sysconfdir}/profile.d/Raster3D.csh %{_sysconfdir}/profile.d/Raster3D.sh %post MGK= if [ -a /usr/lib/ImageMagick/config/delegates.mgk ]; then MGK="/usr/lib/ImageMagick/config/delegates.mgk" elif [ -a /usr/X11R6/share/ImageMagick/delegates.mgk ]; then MGK="/usr/X11R6/share/ImageMagick/delegates.mgk" elif [ -a /usr/lib/ImageMagick/delegates.mgk ]; then MGK="/usr/lib/ImageMagick/delegates.mgk" fi OLD="# Raster3D 2.6 \nr3d=> \nrender -tiff %o < %i" XML=" " if [ -n "$MGK" ]; then if grep -q "xml" $MGK; then if ! grep -q "r3d" $MGK; then cp -f $MGK /tmp/delegates.bak.$$ sed "/<\/delegatemap>/{x;s!^!$XML!;G;}" $MGK > /tmp/delegates.mgk.$$ cp -f /tmp/delegates.mgk.$$ $MGK rm -f /tmp/delegates.mgk.$$ fi else if grep -q "r3d" $MGK; then echo -e $OLD >> $MGK fi fi fi %postun MGK= if [ -a /usr/lib/ImageMagick/config/delegates.mgk ]; then MGK="/usr/lib/ImageMagick/config/delegates.mgk" elif [ -a /usr/X11R6/share/ImageMagick/delegates.mgk ]; then MGK="/usr/X11R6/share/ImageMagick/delegates.mgk" elif [ -a /usr/lib/ImageMagick/delegates.mgk ]; then MGK="/usr/lib/ImageMagick/delegates.mgk" fi if [ -n "$MGK" ]; then grep -v r3d $MGK > /tmp/delegates.mgk.$$ cp -f /tmp/delegates.mgk.$$ $MGK rm -f /tmp/delegates.mgk.$$ fi %changelog * Thu Feb 03 2011 Ethan Merritt - release Raster3D-3.0-2 (dynamic array allocation; libgd support) * Tue Dec 19 2010 Ethan Merritt - released Raster3D-3.0-1 (dynamic array allocation; libgd support) * Tue Mar 16 2010 Christoph Champ - released Raster3D-2.9-2 (dynamic) * Fri Feb 12 2010 Christoph Champ - released Raster3D-2.9-1 (static) * Thu Jan 21 2010 Christoph Champ - changed "mkdirhier" to "mkdir -p" - added "-fno-range-check" to FFLAGS * Fri Mar 7 2008 EAM - More gfortran initialization problems * Wed May 3 2006 EAM - rastep was suffering from gfortran + uninitialized arrays * Tue Apr 12 2006 EAM - Update for 2.7d (gfortran, ImageMagick 6+) * Thu Feb 12 2004 EAM - rastep logical test of noerr fails in g77 * Fri Feb 6 2004 EAM - modify label3d and stereo3d to handle change in ImageMagick output format - built under Mandrake 9.2 against glibc.so.6 * Mon Oct 20 2003 EAM - Add -background option to render; check for Uii=0 in rastep * Thu Jun 19 2003 EAM - Fix TMPDIR bug in normal3d and update docs to say PNG is default output * Wed May 7 2003 EAM - Bump versioning to 2.7a because rpm thinks 2.6g < 2.6.6 (2.6f) - reduce problems with libpng versioning by linking to a static libpng.a * Thu Jan 2 2003 MATSUURA Takanori - prefix was changed to %%{_prefix} - improved, more complete spec file * Thu Nov 7 2002 - modify post-install script for ImageMagick XML delegates file * Wed Nov 6 2002 EAM - update RPM distribution to match newer libs in Mandrake 8.2/9.0 Redhat 7.3/8.0 * Fri May 3 2002 EAM - modify for cross-platform build * Fri Apr 3 2002 Won-kyu Park - make raster3d.spec more compliant with conventions for building rpm Raster3D_3.0-2/./Makefile.template0000664000471100047110000000316511501752755016610 0ustar merrittmerritt# # makefile template for Raster3D distribution 3.0 # # You may want to edit some of the lines below to select # options or directories appropriate to your local installation. # include VERSION # # Where to install the program, data files, and manuals # prefix = /usr/local bindir = $(prefix)/bin datadir = $(prefix)/share/Raster3D/materials mandir = $(prefix)/man/manl htmldir = $(prefix)/share/Raster3D/html examdir = $(prefix)/share/Raster3D/examples INCDIRS = -I/usr/include -I/usr/local/include LIBDIRS = -L/usr/local/lib # # TIFF support (enabled by default) # add -DTIFF_SUPPORT to the DEFINES statement. # add -ltiff to the LIBS definition. # The TIFF_INVERT option is a work-around for broken programs # (e.g. PhotoShop) that don't properly read the TIFF header. # TLIBS = -ltiff TDEFS = -DTIFF_SUPPORT -DTIFF_INVERT # TDEFS = -DTIFF_SUPPORT # # libgd support for PNG and JPEG output (enabled by default) # add -DGD_SUPPORT to the DEFINES statement. # add -lgd to the LIBS definition. GDLIBS = -lgd GDDEFS = -DGD_SUPPORT # # Everybody (I think) needs these # CLIBS = -lm # # Support for on-the-fly decompression of input files using gunzip # (may not work on all systems) GDEFS = -DGUNZIP # # Support for SGI imagetools library (-sgi output option to render) # This probably makes sense only on an Irix workstation, and only # if you have installed the libimage library. # Commented out by default. # SLIBS = -limage # SDEFS = -DLIBIMAGE_SUPPORT # # Any stuff you see below this comment was added by the "make OS" command. # You can edit it if you like, but it will be lost if you "make OS" again. # Raster3D_3.0-2/./render.f0000644000471100047110000052307111503300713014746 0ustar merrittmerritt MODULE LISTS INTEGER, ALLOCATABLE, DIMENSION(:,:) :: KOUNT, MOUNT INTEGER, ALLOCATABLE, DIMENSION(:,:) :: TTRANS INTEGER ISTRANS END MODULE LISTS PROGRAM RENDER USE LISTS * * Version 3.0 (14 Dec 2010) * * EAM May 1990 - add object type CYLIND (cylinder with rounded ends) * and CYLFLAT (cylinder with flat ends) * - use Phong shading on triangles if they are sequentially * adjoining. * EAM Feb 1991 - port to Ultrix (minor changes) and modify output format * to depend on code in separate module "local". * EAM Mar 1993 - fix embarrassingly stupid bug in cylinder shadowing * add object type PLANE (triangle with infinite extent) * EAM Nov 1993 - Version 2.0 (beta test) * fix bug which allowed objects to shadow themselves * Command line options for 3 output modes * EAM Apr 1994 - Version 2.0 release * TIFF output support in local.c * minor changes to fortran source to make IBM xlf compiler happy * EAM Sep 1994 - EXPERIMENTAL VERSION WITH OBJECT TYPES 7, 8, 9 * EAM Jan 1995 - move DATA statement to make linux happy * EAM Mar 1995 - fix bug in routine CYLTEST which took bites out of cylinder ends * EAM May 1995 - fold object types 7/8/9 back into distributed code for V2.1 * EAM Jan 1996 - Version 2.2 * Add code for transparency and faster MATERIAL bookkeeping * Also fix major problems with explicit surface normals * object type 8 expanded to describe transparency * EAM May 1996 - antialiasing scheme 4, file indirection, * minor changes to accommodate HPUX * EAM Oct 1996 - trap and forgive shadowing error due to too small NSX,NSY * EAM Nov 1996 - scheme 0 causes alpha blend channel in output image * per-tile count of transparent objects * EAM Jan 1997 - zero length cylinders treated as spheres * Object types 10 + 11 (fonts and labels) accepted but ignored * Object type 12 reserved for other label information * Material properties can override object colors * - Material OPT(1) = 1 transparency option * OPT(4) = continuation lines for more material properties * EAM Mar 1997 - Make SLOP larger, and dependent on tile size * - GLOW light source specified by object type 13 * EAM May 1997 - V2.3c allow multiple glow lights; make cyltest a function; * V2.3d remove DATA statements; more terse output; * BACKFACE material option; EYEPOS = 0.0 disables perspective * EAM Jul 1997 - add commons LISTS MATRICES NICETIES RASTER * - D_LINES code for quadric surfaces, ISOLATION * EAM Sep 1997 - fix normals of flat cylinder ends (thanks to Takaaki Fukami) * EAM Nov 1997 - add VERTEXRGB object type to extend triangle descriptions, * allow # as comment delimiter in input stream * EAM Dec 1997 - Release V2.4b * EAM Feb 1998 - fixed bug in check against limiting radius of quadrics * EAM Jul 1998 - Object type 16 (GLOBAL PROPERTIES); fog * EAM Aug 1998 - render back side of transparent flat-ended cylinders * by duplicating object with INSIDE flag bit set. * EAM Oct 1998 - check environmental variable R3D_LIB for input file indirection * - V2.4g includes some preliminary code to support Z-clipping * EAM Nov 1998 - more work on Z-clipping * EAM Feb 1999 - re-work output module local.c to support -jpeg and -out * EAM May 1999 - allow explicit vertex colors for cylinders also * EAM Jul 1999 - 2.4l preliminary work towards an after-the-fact rotation option * EAM Sep 1999 - 2.5a command line parsing in separate routine parse() * label processing folded into render; routines in r3dtops.f * EAM Jan 2000 - 2.5b general release * EAM Feb 2000 - 2.5c (bug fixes to 2.5b) * EAM Mar 2000 - object types VTRANSP (18) and ISOLATE2 (19) * EAM Sep 2000 - 2.5e uncompress indirect files ending with .Z or .gz * discard BACKCLIP objects on input, implement BACKCLIP material * EAM Nov 2000 - 2.5f more bug-fixes to rotation of surface normals * EAM Feb 2001 - 2.5g command line shadows * EAM Mar 2001 - V2.6 (alpha test) * bounding planes * revamped transparency code, remove limit of 2 stacked objects * break out shared maximum dimensions to paramters.incl * make back surface HIDING (former INMODE=4) the default for * non-bounded opaque triangles * EAM Jul 2001 - V2.6b first release * EAM Aug 2001 - V2.6c bug-fix for MOPT1 processing * PNG output format ( -DPNG_SUPPORT ) * EAM Feb 2002 - allow a little RIBBONSLOP in testing for ribbon triangles * fix up complicated corner cases in bounded surface algorithm * EAM Apr 2002 - clean up auto-tiling, and allow zero NPX or NPY to trigger it * EAM Apr 2006 - V2.6d gfortran accommodations * - Change AND() to iand() everywhere * - Change OR() to ior() everywhere * EAM Mar 2008 - initialize various static storage areas * FZ Dec 2009 - initialize more static storage areas (valgrind runs) * FZ Feb 2010 - expandable memory allocation * JMK Dec 2010 - Bugfix for JUSTCLIPPED reported by Joe Krahn * JMK Dec 2010 - More transparency algorithms; use OPT[2] to pass choice * EAM Dec 2010 - Read in all header info before initializing output file * * General organization: * * - read in control parameters and initial output image file * - read in list of objects * - count objects that may impinge on each tile * - do this for both pixel and rotated "shadow" space * - sort objects * - go through main object list in sorted order * - fill in short lists of objects * - repeat the sort etc. for the objects in shadow space * - that's it for the "cheap" part * - for each tile: * - for each pixel: * - search objects to find highest point for pixel * - if it's transparent find the next one down as well * - transform resulting (x,y,z) to shadow space * - find closest z' for new x',y' * - this tells you if the pixel is in shadow or not * - shade accordingly * - copy tile to output buffer * * * Easy-to-change constants (kept in file parameters.incl): * * - maximum size of any expandable array MAXMEM * - maximum number of tiles in each direction MAXNTX*, MAXNTY* * - number of shadow tiles in each direction NSX, NSY * - maximum number of pixels in a tile MAXNPX*, MAXNPY* * - maximum number of objects MAXOBJ* * - maximum number of material specifications MAXMAT* * - maximum depth of stack transparent objects MAXTRANSP * * *NOTE: MAXNTX,MAXNTY,MAXNPX,MAXNPY,MAXOBJ and MAXMAT are now * initial array sizes for expandable arrays, rather than limits. * * Input (line by line except where noted): * * - TITLE anything you like * - NTX,NTY tiles in each direction * - NPX,NPY pixels per tile to compute in each direction * - SCHEME pixel averaging scheme (1, 2, or 3) * - 0 no anti-aliasing, use alpha channel * - 1 no anti-aliasing, no alpha channel * - 2 means 2x2 computing pixels for 1 output pixel * - 3 means 3x3 computing pixels for 2x2 output pixels * - 4 same as 3, but NTX,NTY expanded inside program * - BKGND background colour (r,g,b in range 0 to 1) * - SHADOW "shadow mode?" (T or F) * - IPHONG Phong power (e.g., 20) * - STRAIT straight-on (2ndary) light component (e.g., 0.1) * - AMBIEN ambient light component (e.g., 0.05) * - SPECLR specular reflection component (e.g., 0.30) * - EYEPOS eye position along +z coordinate (e.g., 4) * - relative to 1=narrow dimension of screen * - used for perspective, EYEPOS = 0.0 disables perspective * - SOURCE main light source position (x,y,z components) * - vector length ignored, point source is at infinity * - TMAT global transformation on input objects * - postfix 4x4 matrix on 4 lines, as you would write it * - upper left 3x3 must be pure rotation * - lower left 1x3 is translation * - lower right 1x1 is global scaling (reduction) * - upper right 3x1 causes extra perspective (should be 0) * - applies to homogeneous co-ordinates (x,y,z,1) * - radii are only scaled down by global scaling TMAT(4,4) * - INMODE object input mode (1, 2, or 3) * - mode 1: all objects are triangles * - mode 2: all objects are spheres * - mode 3: each object will be preceded by type * - INFMT or INFMTS object input format(s), 1 per line * - one format for modes 1 and 2, or three for mode 3 * - each is fortran format in parentheses, or single * * - for 3 formats, the order of formats and details is: * - triangle: x1,y1,z1,x2,y2,z2,x3,y3,z3,r,g,b * - sphere: x,y,z,radius,r,g,b * - trcone: x1,y1,z1,rad1,x2,y2,z2,rad2,r,g,b * - cylinder: as truncated cone, but 2nd radius ignored * - objects * - modes 1,2: each object starts on a new line * - read according to the single format given * - mode 3: each object is preceded by a line giving type * - type 1: triangle (to be read with 1st format) * - type 2: sphere (to be read with 2nd format) * - type 3: cylinder with rounded ends (3rd format) * - type 4: [not implemented: truncated cone] * - type 5: cylinder with flat ends (3rd format) * - type 6: plane (=triangle with infinite extent) (1st format) * - type 7: normal vectors for previous triangle (1st format) * - type 8: material definition which applies to subsequent objects * - type 9: end previous material * - type 10: font selection (ignored in render) * - type 11: label (ignored other than to count them) * - type 12: (reserved for additional label processing) * - type 13: glow light source * - type 14: quadric surface (usually an ellipsoid) * - type 15: disable coordinate transformation of subsequent objects * - type 16: global properties (e.g. FOG) * - type 17: RGB triple for each vertex of preceding object * - type 18: transparency at each vertex of preceding object * - type 19: variant of type 15; forces unitary coordinate sytem * - type 0: no more objects (equivalent to eof) * *----------------------------------------------------------------------------- * EAM Sep 1994 * * 1) Object type 7 signals an extra record giving explicit vertex normals * for a single triangle. This extra record must directly follow the * corresponding triangle and uses the same format. * * 2) Object type 8 signals an extra record giving extra or more explicit * material properties object. Current (trial) contents of record are: * MPHONG - overrides global Phong power for specular reflections * MSPEC - overrides global specular scattering contribution * SR,SG,SB - red/green/blue components for specular highlighting * (values <0 cause highlights to match object colour) * CLRITY - 0.0 (opaque) => 1.0 (transparent) * CLROPT - [reserved] suboptions for transparency handling * OPT2 - [reserved] suboptions for bounding planes Is it really used? * OPT3 - [reserved] * OPT4 - # of additional modifier records immediately following * These material properties remain in effect for subsequent objects * until object type 9 appears to terminate the effect. * * 3) Object type 9 terminates effect of previous materials property * *----------------------------------------------------------------------------- * Object types 10 and 11 are used for specifying labels. * Label object types are * - type 10: Font_Name size alignment * - type 11: XYZ RGB on first line * label (ascii characters enclosed in quotes) on second line * Object type 12 is reserved to go with this, as I have a nagging * suspicion more information may turn out to be necessary. *----------------------------------------------------------------------------- * Object type 13 specifies a "glow" light source; i.e. a non-shadowing * light source with finite origin GLOWSRC and illumination range GLOWRAD. * Specular highlights for this source specified by GLOWCOL and GPHONG. * 0.0 < GLOW < 1.0 = contribution of glow to total lighting model. * 13 * GLOWSRC(3) GLOWRAD GLOW GOPT GPHONG GLOWCOL(3) *----------------------------------------------------------------------------- * V2.4 * Object type 14 specifies a quadric surface * QQ = Ax^2 + By^2 + Cz^2 + 2Dxy + 2Eyz + 2Fxz + 2Gx + 2Hy + 2Iz + J * centered at XC,YC,ZC and truncated at bounding radius RC. Supporting * code is in file quadric.f * 14 * XC YC ZC RC RED GRN BLU * A B C D E F G H I J * * Object type 15 is a single line signaling that subsequent objects are * not to be transformed by the TMAT matrix in the header. This isolation * from TMAT is terminated by an end material record (object type 9). *----------------------------------------------------------------------------- * V2.6 * Object type 4 is used internally to implement bounding planes. * The BOUNDING_PLANE definition is given in the input stream as * a modifier to a MATERIAL descriptor. At the time it is read in * render creates a new object of type 4 to hold the bounding * plane parameters and modifiers. * DETAIL(K+...) is loaded with the following parameters: * SUBTYPE, BPTYPE, X,Y,Z, XNORM, YNORM, ZNORM, RED, GREEN, BLUE *----------------------------------------------------------------------------- * * Object space convention: * * - this is the space TMAT is supposed to map your data to * - centre of "virtual screen" is (0,0,0) * - x to right, y to top, z towards viewer * - the smaller of the x and y dimensions goes from -.5 to +.5 * - z cuts off at +1 and -1 by default, but is modified by FRONTCLIP, BACKCLIP * - shadow box dimensions determined by NSX/NTX, NSY/NTY * *----------------------------------------------------------------------------- * David Bacon's comments from Version 1.0 * * Bugs: * * - perspective is applied to raw objects, giving wrong lighting * - perspective unity factor is always at z=0 in object space * - shadow box doesn't necessarily enclose entire view prism * - some ASSERT calls are commented out for extra speed * - SLOP parameter is empirical fix to imprecision in shadowing * * Deferred priorities: * * - superior pixel averaging (you should use another pass?) * - better assignment of triangles to tiles (do clipping?) * - better estimate of max. triangle elevation within tile * * * Why I don't do shadowing properly: * * Although you might not notice it as a casual observer, * the main light source is (in effect) in different places * for different parts of the picture. More precisely, * perspective is applied to the objects comprising the * picture first, and THEN the lighting from a distant * light source is applied. The lighting would be correct * if there were no perspective, because the angle doesn't * change across the picture. With a scene in perspective, * however, the angle of the light beam, from the eye's * viewpoint, should vary a little. * The reason I allow this error is because the use of "tiles" * is implicitly a parallel projection, so I have to apply the * perspective to the objects initially. * Conceivably I could "undo" this whenever taking the light * source point of view (this would result in using a slightly * different light source position for different parts of the * picture), but that would cause another problem: * Perspective distorts spheres differently depending on whether * you ask about each point on the surface individually or use one * perspective factor for all points based on the centre. Consider * even a sphere in the plane where perspective is supposed to be * unity (z=0 for us). It swells slightly when perspective is * applied point by point. * This is a serious problem for us because although I * generate non-swelled spheres by applying the perspective to * all of them initially, I end up asking about individual * points on them when wanting the light source point of view. * You might argue that I could simply calculate the amount * of swelling that has to be accounted for (by drawing tangents * from the eye and seeing where they intersect the constant-z * plane that passes through the sphere centre or something), * but the "swelling" is complicated in the sense that it is * in effect a "stretching" of the surface closest to the eye * and a "shrinking" in back. * Even if I could see how to compensate for all this, I * don't think it would be worth it. * It's probably not even worth trying to implement a better * approximate solution by changing the light source position * slightly for each object in the picture. The ambiguity * as to whether the obscuring or the obscured object should have * the modified light source position applied would make it * difficult to assign objects to shadow tiles. Trying to * implement full "antiperspective" for the light source would * just shift the problems of perspective (swelling spheres, * etc.) to a different locale without solving them. *----------------------------------------------------------------------------- * * Overkill: IMPLICIT REAL (A-H, O-Z) * INCLUDE 'VERSION.incl' * * I/O units for control input, info output, label processing INTEGER INPUT, INPUT0, NOISE, LUNIT PARAMETER (INPUT0=5, NOISE=0, LUNIT=4) * * Descriptor codes for the various object types INTEGER TRIANG, SPHERE, INTERNAL, CYLIND, CYLFLAT INTEGER PLANE, QUADRIC, MXTYPE, FONT, GLOWLIGHT INTEGER NORMS, VERTEXRGB, VERTRANSP PARAMETER (TRIANG = 1) PARAMETER (SPHERE = 2) PARAMETER (CYLIND = 3) PARAMETER (INTERNAL = 4) PARAMETER (CYLFLAT = 5) PARAMETER (PLANE = 6) PARAMETER (NORMS = 7) PARAMETER (MATERIAL = 8) PARAMETER (MATEND = 9) PARAMETER (FONT = 10, LABEL = 11) PARAMETER (GLOWLIGHT= 13) PARAMETER (QUADRIC = 14) PARAMETER (ISOLATE1 = 15) PARAMETER (GPROP = 16) PARAMETER (VERTEXRGB= 17) PARAMETER (VERTRANSP= 18) PARAMETER (ISOLATE2 = 19) PARAMETER (MXTYPE = 19) * * Bit definitions for FLAG array INTEGER FLAT, RIBBON, SURFACE, PROPS PARAMETER (FLAT=2, RIBBON=4, SURFACE=8, PROPS=16) INTEGER TRANSP, HIDDEN, INSIDE, MOPT1 PARAMETER (TRANSP=32, HIDDEN=64, INSIDE=128,MOPT1=256) INTEGER VCOLS, CLIPPED, VTRANS, BOUNDED PARAMETER (VCOLS=512, CLIPPED=1024, VTRANS=2048, BOUNDED=4096) * * Bit definitions for OTMODE passed to local(1,...) INTEGER ALPHACHANNEL PARAMETER (ALPHACHANNEL=32) * * $$$$$$$$$$$$$ ARRAY SIZE LIMITS $$$$$$$$$$$$$$ * INCLUDE 'parameters.incl' INTEGER OUTSIZ PARAMETER (OUTSIZ = MAXNTX*MAXNPX*MAXNPY) * * * Command line options (Aug 1999) NB: nax,nay,quality MUST be integer*2 COMMON /OPTIONS/ FONTSCALE, GAMMA, ZOOM, NSCHEME, SHADOWFLAG, XBG, & NAX, NAY, OTMODE, QUALITY, INVERT, LFLAG REAL FONTSCALE, GAMMA, ZOOM INTEGER NSCHEME, SHADOWFLAG, XBG INTEGER*4 NAX, NAY, OTMODE, QUALITY LOGICAL*2 INVERT, LFLAG * * Title for run CHARACTER*132 TITLE * * Number of tiles, pixels per tile COMMON /RASTER/ NTX,NTY,NPX,NPY INTEGER NTX,NTY,NPX,NPY * * Pixels per tile after anti-aliasing, output buffer line length INTEGER NOX, NOY, NX * * Actual image size in pixels (may include partial tiling at the edges) * (MUST BE INTEGER*2 for call to local()!!!) C INTEGER*2 NAX, NAY * * One lonely tile REAL, ALLOCATABLE, DIMENSION(:,:,:) :: TILE * * With an alpha blend channel REAL, ALLOCATABLE, DIMENSION(:,:) :: ACHAN * * Pixel averaging scheme INTEGER SCHEME * * Background colour REAL BKGND(3) INTEGER IBKGND(3) * * "Shadow mode?" LOGICAL SHADOW INTEGER NSXMAX,NSYMAX * * Phong power INTEGER IPHONG * * Straight-on (secondary) light source contribution REAL STRAIT * * Ambient light contribution REAL AMBIEN * * Specular reflection component REAL SPECLR * * Primary light source position REAL SOURCE(3) * * Input transformation COMMON /MATRICES/ XCENT, YCENT, SCALE, EYEPOS, SXCENT, SYCENT, & TMAT, TINV, TINVT, SROT, SRTINV, SRTINVT & ,RAFTER, TAFTER REAL XCENT, YCENT, SCALE, SXCENT, SYCENT * Transformation matrix, inverse of transpose, and transposed inverse REAL TMAT(4,4), TINV(4,4), TINVT(4,4) * Shortest rotation from light source to +z axis REAL SROT(4,4), SRTINV(4,4), SRTINVT(4,4) * Post-hoc transformation on top of original TMAT REAL RAFTER(4,4), TAFTER(3) EXTERNAL DET REAL DET * * Distance (in +z) of viewing eye REAL EYEPOS * * Input mode INTEGER INMODE * * Buffer one line of input for decoding CHARACTER*132 LINE * * Input format(s) CHARACTER*80 INFMTS(MXTYPE),INFMT * * Free-format input flag LOGICAL INFLGS(MXTYPE),INFLG * * Allow very long names for file indirection CHARACTER*132 FULLNAME * * Stuff for shading REAL NL(3),NORMAL(3),LDOTN REAL RGBCUR(3),RGBSHD(3),RGBFUL(3) REAL SPECOL(3) * * FOG parameters * (fogtype -1 = none, 0 = linear depthcuing, 1 = exponential model) * (fogfront 0 = front object, else fraction of front clipping plane) * (fogback 0 = back object, else fraction of back clipping plane) * COMMON /FOGCOM/ FOGTYPE,FOGFRONT,FOGBACK,FOGDEN,FOGLIM,FOGRGB INTEGER FOGTYPE REAL FOGFRONT, FOGBACK, FOGDEN, FOGLIM(2), FOGRGB(3) * * The s & m guys are for the shadow box in the following * * Object list, consists of pointers (less 1) into detail, sdtail INTEGER, ALLOCATABLE, DIMENSION(:) :: LIST, MIST * * Object types and flags, parallel to list INTEGER, ALLOCATABLE, DIMENSION(:) :: TYPE INTEGER*4, ALLOCATABLE, DIMENSION(:) :: FLAG * * Keep a separate list of special materials * and remember any special props of current material on input CDEBUG MPARITY gets its own array because it's used in a per-pixel loop CDEBUG (using DETAIL(LIST(MLIST(MAT))+18) cost 5% in execution time) INTEGER, ALLOCATABLE, DIMENSION(:) :: MLIST, MPARITY LOGICAL MATCOL, BACKFACE LOGICAL CLIPPING, MAYCLIP, JUSTCLIPPED REAL RGBMAT(3) * * Object details, shadow object details REAL, ALLOCATABLE, DIMENSION(:) :: DETAIL, SDTAIL * * Input buffer for details REAL BUF(100) * * Number of objects in each tile's short list (m... are for shadows) C Moved from COMMON BLOCK LISTS to MODULE LISTS to allow dynamic C allocation - FZ C COMMON /LISTS/ KOUNT, MOUNT, TTRANS, ISTRANS C INTEGER KOUNT(MAXNTX,MAXNTY), MOUNT(NSX,NSY) C INTEGER TTRANS(MAXNTX,MAXNTY), ISTRANS * * Pointer to where each tile's objects start INTEGER, ALLOCATABLE, DIMENSION(:,:) :: KSTART, MSTART * * Pointer to where each tile's objects end INTEGER, ALLOCATABLE, DIMENSION(:,:) :: KSTOP, MSTOP * * Short list heap INTEGER, ALLOCATABLE, DIMENSION(:) :: KSHORT, MSHORT * * Temporary for sorting REAL, ALLOCATABLE, DIMENSION(:) :: ZTEMP * * Where the permutation representing the sort is stored INTEGER, ALLOCATABLE, DIMENSION(:) :: ZINDEX * * The number of "details" each object type is supposed to have * : input, object, shadow INTEGER IDET(MXTYPE), KDET(MXTYPE), SDET(MXTYPE) * * Support for cylinders EXTERNAL CYLTEST LOGICAL CYLTEST, ISCYL * * Support for quadrics REAL QNORM(3) EXTERNAL QINP, QTEST LOGICAL QINP, QTEST, ISQUAD * * Support for transparency COMMON /TRANS/ NTRANSP, INDEPTH, INDTOP, TRANOVFL, ZTOP, ZHIGH, & INDLIST(MAXTRANSP), ZLIST(MAXTRANSP), & NORMLIST(3,MAXTRANSP) INTEGER NTRANSP, INDEPTH, INDTOP, INDLIST, TRANOVFL REAL ZTOP, ZHIGH, ZLIST, NORMLIST REAL SBLEND, RGBLND(3) * * Support for a "glow" light source REAL GLOWSRC(3), GLOWCOL(3), GDIST(3), GLOWRAD, GLOW, GLOWMAX INTEGER GOPT, GPHONG INTEGER, ALLOCATABLE, DIMENSION(:) :: GLOWLIST INTEGER NGLOWS * * Support for decompression on the fly EXTERNAL ungz INTEGER ungz * * Support for BOUNDING_PLANE internal object type REAL BPLANE(3), BPNORM(3), BPRGB(3) REAL xn, yn, zn, xnb, ynb, znb INTEGER BPTYPE, NBOUNDS, BPIND LOGICAL ORTEPLIKE INTEGER ORTEP PARAMETER (ORTEP=1) EXTERNAL INBOUNDS LOGICAL INBOUNDS REAL TEMPNORM(3) * * Output buffer INTEGER*2, ALLOCATABLE, DIMENSION(:,:) :: OUTBUF * * Copy of NOISE for ASSERT to see INTEGER ASSOUT LOGICAL VERBOSE COMMON /ASSCOM/ ASSOUT, VERBOSE SAVE /ASSCOM/ * * For label processing COMMON /LABELS/ LABOUT INTEGER LABOUT * * Gamma correction INTEGER GAMMA_MAP(256) PARAMETER (MAXRGB=255.0) LOGICAL GAMMACORRECTION * * Keep track of actual coordinate limits COMMON /NICETIES/ TRULIM, ZLIM, FRONTCLIP, BACKCLIP & , ISOLATION REAL TRULIM(3,2), ZLIM(2), FRONTCLIP, BACKCLIP INTEGER ISOLATION * * Array of sizes to try allocating for expanded dynamic storage INTEGER NEEDMEM, TRY1(3), TRY2(3) INTEGER, ALLOCATABLE, DIMENSION(:) :: TMP1D INTEGER*4, ALLOCATABLE, DIMENSION(:) :: TMP1DI4 REAL, ALLOCATABLE, DIMENSION(:) :: TMP1DR INTEGER, ALLOCATABLE, DIMENSION(:,:) :: TMP2D INTEGER*2, ALLOCATABLE, DIMENSION(:,:) :: TMP2DI2 REAL, ALLOCATABLE, DIMENSION(:,:) :: TMP2DR REAL, ALLOCATABLE, DIMENSION(:,:,:) :: TMP3DR LOGICAL TEST_ALLOC TEST_ALLOC = .TRUE. * * Allocate initial space for dynamically allocatable arrays ALLOCATE( TILE(3,MAXNPX,MAXNPY) ) ALLOCATE( ACHAN(MAXNPX,MAXNPY) ) ALLOCATE( ZTEMP(MAXOBJ) ) ALLOCATE( ZINDEX(MAXOBJ) ) ALLOCATE( LIST(MAXOBJ), MIST(MAXOBJ) ) ALLOCATE( TYPE(MAXOBJ) ) ALLOCATE( FLAG(MAXOBJ) ) ALLOCATE( MLIST(MAXMAT), MPARITY(MAXMAT) ) ALLOCATE( DETAIL(MAXDET), SDTAIL(MAXSDT) ) ALLOCATE( KOUNT(MAXNTX,MAXNTY), MOUNT(NSX,NSY) ) ALLOCATE( TTRANS(MAXNTX,MAXNTY) ) ALLOCATE( KSTART(MAXNTX,MAXNTY), MSTART(NSX,NSY) ) ALLOCATE( KSTOP(MAXNTX,MAXNTY), MSTOP(NSX,NSY) ) ALLOCATE( KSHORT(MAXSHR), MSHORT(MAXSSL) ) ALLOCATE( GLOWLIST(MAXGLOWS) ) ALLOCATE( OUTBUF(OUTSIZ,4) ) TRULIM (1,1) = HUGE TRULIM (2,1) = HUGE TRULIM (3,1) = HUGE TRULIM (1,2) = -HUGE TRULIM (2,2) = -HUGE TRULIM (3,2) = -HUGE ZLIM(1) = HUGE ZLIM(2) = -HUGE * IDET(TRIANG) = 12 IDET(SPHERE) = 7 IDET(CYLFLAT) = 11 IDET(CYLIND) = 11 IDET(PLANE) = 12 IDET(NORMS ) = 9 IDET(MATERIAL) = 10 IDET(GLOWLIGHT)= 10 IDET(QUADRIC) = 17 IDET(VERTEXRGB)= 9 IDET(VERTRANSP)= 3 IDET(INTERNAL) = 20 * KDET(TRIANG) = 16 KDET(SPHERE) = 7 KDET(CYLIND) = 11 KDET(PLANE) = 7 KDET(NORMS ) = 9 KDET(MATERIAL) = 18 KDET(GLOWLIGHT)= 10 KDET(QUADRIC) = 17 KDET(VERTEXRGB)= 9 KDET(VERTRANSP)= 3 KDET(INTERNAL) = 20 * SDET(TRIANG) = 13 SDET(SPHERE) = 4 SDET(CYLIND) = 8 SDET(QUADRIC) = 14 SDET(INTERNAL) = 20 * These object types really have no shadow details, * but indexing seems to require a nonzero value SDET(PLANE) = 1 SDET(NORMS ) = 1 SDET(MATERIAL) = 1 SDET(GLOWLIGHT)= 1 SDET(VERTEXRGB)= 1 SDET(VERTRANSP)= 1 * * Feb 2008 - more initializations for current gfortran NSXMAX = 0 NSYMAX = 0 CLROPT = 0 SCHEME = 0 TRNSPOPT = 0 INFLG = .TRUE. JUSTCLIPPED = .FALSE. IXHI = 0 IXLO = 0 IYHI = 0 IYLO = 0 ITPASS = 0 * * Copy the info (also error reporting) unit number to common ASSOUT = NOISE WRITE (NOISE,*) ' ' * * Initialize to level 0 of file indirection INPUT = INPUT0 * * Initialize unit number for label processing LABOUT = LUNIT * * Initialize to no special material properties MSTATE = 0 MATCOL = .FALSE. ISOLATION = 0 CLIPPING = .FALSE. NBOUNDS = 0 ORTEPLIKE = .FALSE. CLRITY = 0.0 GLOWMAX = 0.0 * * Initialize to no perspective. EYEPOS > 0 will add perspective PFAC = 1.0 PFAC1 = 1.0 PFAC2 = 1.0 PFAC3 = 1.0 * * Initialize global properties FOGTYPE = -1 RGBLND(1) = 0 RGBLND(2) = 0 RGBLND(3) = 0 * * EAM Aug 1999 - break out command line parsing into new routine call parse * * Get title 100 CONTINUE DO I=1,132 TITLE(I:I) = ' ' ENDDO READ (INPUT,'(A)',END=104,ERR=104) TITLE IF (TITLE(1:1) .EQ. '#') GOTO 100 IF (TITLE(1:1) .EQ. '@') THEN J = 1 K = 132 DO I=132,2,-1 IF (TITLE(I:I).EQ.' ') TITLE(I:I) = ' ' IF (TITLE(I:I).NE.' ') J = I IF (TITLE(I:I).EQ.'#') K = I-1 IF (TITLE(I:I).EQ.'!') K = I-1 ENDDO IF (J.EQ.1) GOTO 101 DO WHILE (TITLE(K:K).EQ.' ') K = K -1 ENDDO OPEN (UNIT=INPUT+1,ERR=101,STATUS='OLD',FILE=TITLE(J:K)) WRITE (NOISE,'(A,A)') ' + Opening input file ',TITLE(J:K) INPUT = INPUT + 1 READ (INPUT,'(A)',ERR=101) TITLE IF (TITLE(1:1) .EQ. '#') GOTO 100 ENDIF GOTO 102 101 WRITE (NOISE,'(A,A)')' >> Cannot open or read file ',TITLE(2:K) CALL EXIT(-1) 102 CONTINUE K = 132 DO WHILE (TITLE(K:K).EQ.' ') K = K -1 ENDDO WRITE (NOISE,103) TITLE(1:K) 103 FORMAT('title="',A,'"') * * Get number of tiles READ (INPUT,*,ERR=104,END=104) NTX,NTY CALL ASSERT (NTX.GT.0, 'ntx.le.0') CALL ASSERT (NTY.GT.0, 'nty.le.0') GOTO 105 104 CALL ASSERT(.FALSE., & '>>> This doesnt look like a Raster3D input file! <<<') 105 CONTINUE * * Get number of pixels per tile - 0 means autotile from values in NTX, NTY READ (INPUT,*,ERR=104) NPX,NPY if (npx.eq.0 .and. nax.le.0) nax = ntx if (npy.eq.0 .and. nay.le.0) nay = nty * * Get pixel averaging scheme READ (INPUT,*,ERR=104) SCHEME if (nscheme.ge.0) scheme = nscheme CALL ASSERT (SCHEME.GE.0 .AND. SCHEME.LE.4, 'bad scheme') * * Set up tiling and anti-aliasing. * If NAX, NAY are set, then use them to autotile IF (SCHEME.LE.1) THEN call autotile( nax, nay, 2 ) NOX = NPX NOY = NPY if (nax.lt.0) nax = npx * ntx if (nay.lt.0) nay = npy * nty ELSEIF (SCHEME.EQ.2) THEN if (nax.gt.0) nax = nax * 2 if (nay.gt.0) nay = nay * 2 if (nax.le.0) nax = NPX * NTX if (nay.le.0) nay = NPY * NTY call autotile( nax, nay, 2 ) nax = nax / 2 nay = nay / 2 NOX = NPX/2 NOY = NPY/2 ELSEIF (SCHEME.EQ.3 .and. nscheme.ne.-4 .and. nax.le.0 ) THEN C Old style scheme 3 with exact tiling specified nax = NPX * NTX nay = NPY * NTY call autotile( nax, nay, 3 ) nax = (nax * 2 + 2) / 3 nay = (nay * 2 + 2) / 3 NOX = (NPX * 2) / 3 NOY = (NPY * 2) / 3 ELSE C Either scheme 4 or -size and anti-aliasing selected on command line if (nax.gt.0) nax = (nax + (nax+1)/2) if (nay.gt.0) nay = (nay + (nay+1)/2) if (nax.le.0) nax = NPX*NTX + (NPX*NTX+1)/2 if (nay.le.0) nay = NPY*NTY + (NPY*NTY+1)/2 call autotile( nax, nay, 3 ) nax = (nax * 2 + 2) / 3 nay = (nay * 2 + 2) / 3 NOX = (NPX * 2) / 3 NOY = (NPY * 2) / 3 SCHEME = 3 ENDIF * call assert (nax.gt.0, 'nax <= 0') call assert (nay.gt.0, 'nay <= 0') * CALL ASSERT (NTX.GT.0.,'Tiling failure - ntx = 0') CALL ASSERT (NTY.GT.0.,'Tiling failure - nty = 0') CALL ASSERT (NPX.GT.0.,'Tiling failure - npx = 0') CALL ASSERT (NPY.GT.0.,'Tiling failure - npy = 0') * * Expand arrays KOUNT, TTRANS, KSTART and KSTOP if needed, eg NTX > MAXNTX if (NTX.GT.SIZE(KSTOP,1) .OR. NTY.GT.SIZE(KSTOP,2)) THEN * * Double the old allocation if that's enough, or take 150% of the new * If that fails, try 150% of the old or 120% of new, or just the new CALL GET_TRY(SIZE(KSTOP, 1), NTX, TRY1, 2) CALL GET_TRY(SIZE(KSTOP, 2), NTY, TRY2, 2) * * Try allocating memory to the arrays do 900 ITRY = 1,3 * * Test to see if requested allocation is valid if (TRY1(ITRY) .LE. 0 .OR. TRY2(ITRY) .LE. 0 .OR. & TRY1(ITRY)*TRY2(ITRY) .LE. 0 .OR. & MAXMEM / TRY1(ITRY) .LT. TRY2(ITRY)) GOTO 900 ALLOCATE( TMP2D(TRY1(ITRY),TRY2(ITRY)), STAT=IERR) if (ierr .NE. 0) GOTO 900 C TMP2D = 0 TMP2D = KOUNT CALL MOVE_ALLOC(from=TMP2D, to=KOUNT) ALLOCATE( TMP2D(TRY1(ITRY),TRY2(ITRY)), STAT=IERR) if (ierr .NE. 0) GOTO 900 C TMP2D = 0 TMP2D = TTRANS CALL MOVE_ALLOC(from=TMP2D, to=TTRANS) ALLOCATE( TMP2D(TRY1(ITRY),TRY2(ITRY)),stat=ierr) if (ierr .NE. 0) GOTO 900 C TMP2D = 0 TMP2D = KSTART CALL MOVE_ALLOC(from=TMP2D, to=KSTART) ALLOCATE( TMP2D(TRY1(ITRY),TRY2(ITRY)),stat=ierr) if (ierr .NE. 0) GOTO 900 C TMP2D = 0 TMP2D = KSTOP CALL MOVE_ALLOC(from=TMP2D, to=KSTOP) if(TEST_ALLOC)write(NOISE,*)"Expand MAXNTX x Y to ", & try1(ITRY)," x ",try2(ITRY) GOTO 902 900 CONTINUE ENDIF * * These should only fail if the above dynamic allocation failed 902 CALL ASSERT (NTX.LE.SIZE(KSTOP, 1),'Tiling failure - ntx>maxntx') CALL ASSERT (NTY.LE.SIZE(KSTOP, 2),'Tiling failure - nty>maxnty') * * Expand arrays TILE, ACHAN next if needed, i.e. NPX,NPY > MAXNPX or Y if (NPX.GT.SIZE(TILE,2).OR. NPY.GT.SIZE(TILE,3)) THEN CALL GET_TRY(SIZE(TILE,2), NPX, TRY1, 2) CALL GET_TRY(SIZE(TILE,3), NPY, TRY2, 2) do 905 ITRY = 1,3 * Test to see if requested allocation is valid if (TRY1(ITRY) .LE. 0 .OR. TRY2(ITRY) .LE. 0 .OR. & TRY1(ITRY)*TRY2(ITRY) .LE. 0 .OR. & MAXMEM / TRY1(ITRY) .LT. TRY2(ITRY)) GOTO 905 ALLOCATE( TMP2DR(TRY1(ITRY),TRY2(ITRY)),stat=ierr) if (ierr .NE. 0) GOTO 905 TMD2DR = 0. TMP2DR = ACHAN CALL MOVE_ALLOC(from=TMP2DR, to=ACHAN) ALLOCATE( TMP3DR(3,TRY1(ITRY),TRY2(ITRY)),stat=ierr) if (ierr .NE. 0) GOTO 905 TMD3DR = 0. TMP3DR = TILE CALL MOVE_ALLOC(from=TMP3DR, to=TILE) if(TEST_ALLOC)write(NOISE,*)"Expand MAXNPX,Y to ", & try1(ITRY)," x ",try2(ITRY) GOTO 907 905 CONTINUE ENDIF * * These should only fail if the above dynamic allocation failed 907 CALL ASSERT (NPX.LE.SIZE(TILE,2),'Tiling failure - npx>maxnpx') CALL ASSERT (NPY.LE.SIZE(TILE,3),'Tiling failure - npy>maxnpy') * IF (VERBOSE) THEN WRITE (NOISE,*) 'ntx=',NTX,' nty=',NTY WRITE (NOISE,*) 'npx=',NPX,' npy=',NPY WRITE (NOISE,*) 'scheme=',SCHEME WRITE (NOISE,*) 'nox=',NOX,' noy=',NOY END IF if (nax.lt.0) nax = nox*ntx if (nay.lt.0) nay = noy*nty NX = nox*ntx LINOUT = 0 WRITE (NOISE,1105) 'Rendered raster size =',NPX*NTX,NPY*NTY WRITE (NOISE,1105) ' Output raster size =',NAX,NAY 1105 FORMAT(A,I7,' x',I7) C * * Expand array OUTBUF if needed, i.e. NTX * NOX * NOY > OUTBUF size * NOTE: this may avoidably fail if the above array expansions took * up more room than it needed, and didn't leave enough for OUTBUF. NEEDMEM = NOY*NOX*NTX if ( NEEDMEM .GT. SIZE(OUTBUF,1) ) THEN CALL GET_TRY(SIZE(OUTBUF,1), NEEDMEM, TRY1, 1) do 910 ITRY = 1,3 * Test to see if requested allocation is valid if (TRY1(ITRY).LE.0 .OR. TRY1(ITRY).GT.MAXMEM) GOTO 910 ALLOCATE( TMP2DI2(TRY1(ITRY),4), stat=ierr ) if (ierr .NE. 0) GOTO 910 TMP2DI2 = 0 TMP2DI2 = OUTBUF CALL MOVE_ALLOC(from=TMP2DI2, to=OUTBUF) if(TEST_ALLOC)write(NOISE,*)"Expand OUTBUF to ",try1(ITRY) GOTO 912 910 CONTINUE ENDIF 912 CALL ASSERT (SIZE(OUTBUF,1).GE.NEEDMEM, & 'image too large for output buffer') C C Header records and picture title IF (SCHEME.EQ.0) OTMODE = ior(OTMODE,ALPHACHANNEL) * * Some derived parameters XCENT = NTX*NPX/2. YCENT = NTY*NPY/2. SXCENT = NSX*NPX/2. SYCENT = NSY*NPY/2. SCALE = 2.*MIN(XCENT,YCENT) * This was always true; now it's explicit BACKCLIP = -(SCALE+1.0) FRONTCLIP = HUGE * Copy scheme to common, where r3dtogd can see it NSCHEME = SCHEME * * Get background colour READ (INPUT,*,ERR=104) BKGND if (XBG.NE.0) then BKGND(3) = iand(XBG,X'00FF') BKGND(2) = iand(XBG,X'FF00')/256 BKGND(1) = iand(XBG,X'FF0000')/65536 BKGND(3) = BKGND(3) / 255. BKGND(2) = BKGND(2) / 255. BKGND(1) = BKGND(1) / 255. BKGND(3) = BKGND(3)**2 BKGND(2) = BKGND(2)**2 BKGND(1) = BKGND(1)**2 endif IF (VERBOSE) THEN WRITE (NOISE,1106) 'bkgnd=',BKGND END IF 1106 FORMAT(A,4F10.4,(/,4F10.4)) CALL ASSERT (BKGND(1).GE.0., 'bkgnd(1) < 0') CALL ASSERT (BKGND(2).GE.0., 'bkgnd(2) < 0') CALL ASSERT (BKGND(3).GE.0., 'bkgnd(3) < 0') CALL ASSERT (BKGND(1).LE.1., 'bkgnd(1) > 1') CALL ASSERT (BKGND(2).LE.1., 'bkgnd(2) > 1') CALL ASSERT (BKGND(3).LE.1., 'bkgnd(3) > 1') IF (GAMMA.LT.0.99 .OR. GAMMA.GT.1.01) THEN IBKGND(1) = SQRT(BKGND(1)) ** (1.0/GAMMA) * MAXRGB + 0.5 IBKGND(2) = SQRT(BKGND(2)) ** (1.0/GAMMA) * MAXRGB + 0.5 IBKGND(3) = SQRT(BKGND(3)) ** (1.0/GAMMA) * MAXRGB + 0.5 ELSE IBKGND(1) = 255. * SQRT(BKGND(1)) + .5 IBKGND(2) = 255. * SQRT(BKGND(2)) + .5 IBKGND(3) = 255. * SQRT(BKGND(3)) + .5 ENDIF * * * Get "shadows" flag READ (INPUT,*,ERR=104) SHADOW IF (SHADOWFLAG.EQ.0) SHADOW = .FALSE. IF (SHADOWFLAG.EQ.1) SHADOW = .TRUE. IF (VERBOSE) THEN WRITE (NOISE,*) 'shadow=',SHADOW END IF * * Get Phong power READ (INPUT,*,ERR=104) PHONG IPHONG = PHONG CALL ASSERT (IPHONG.GE.0, 'iphong < 0') * A derived constant for numerical purposes in applying the * Phong power in the shading algorithm. * The idea is that any specular contribution less than * 1E-9 (hence the 9 in 9./IPHONG) is insignificant: IF (IPHONG .NE. 0) PHOBND = 0.1**(9./IPHONG) IF (IPHONG .EQ. 0) PHOBND = 0. * * Get contribution of straight-on (secondary) light source READ (INPUT,*,ERR=104) STRAIT CALL ASSERT (STRAIT.GE.0., 'strait < 0') CALL ASSERT (STRAIT.LE.1., 'strait > 1') * * Derive contribution of primary light source PRIMAR = 1. - STRAIT * * Get contribution of ambient light READ (INPUT,*,ERR=104) AMBIEN CALL ASSERT (AMBIEN.GE.0., 'ambien < 0') CALL ASSERT (AMBIEN.LE.1., 'ambien > 1') * * Get component of specular reflection READ (INPUT,*,ERR=104) SPECLR CALL ASSERT (SPECLR.GE.0., 'speclr < 0') CALL ASSERT (SPECLR.LE.1., 'speclr > 1') * IF (VERBOSE) THEN WRITE (NOISE,1104) 'iphong=',float(IPHONG),'strait=',STRAIT, & 'ambien=',AMBIEN,'speclr=',SPECLR 1104 FORMAT(2(4X,A,F10.4)) END IF * * Derive component of diffuse reflection CALL ASSERT (AMBIEN+SPECLR.LE.1., 'ambien+speclr > 1') DIFFUS = 1. - (AMBIEN+SPECLR) * * Get distance of viewing eye READ (INPUT,*,ERR=104) EYEPOS CALL ASSERT (EYEPOS.GE.0., 'eyepos.lt.0') * * Get position of primary light source READ (INPUT,*,ERR=104) SOURCE SMAG = SQRT(SOURCE(1)**2 + SOURCE(2)**2 + SOURCE(3)**2) SOURCE(1) = SOURCE(1) / SMAG SOURCE(2) = SOURCE(2) / SMAG SOURCE(3) = SOURCE(3) / SMAG IF (VERBOSE) THEN WRITE (NOISE,1106) 'eyepos=',EYEPOS WRITE (NOISE,1106) 'source=',SOURCE WRITE (NOISE,1106) 'normalized source=',SOURCE END IF * * Get input transformation DO I=1,4 READ (INPUT,*,ERR=104) (TMAT(I,J),J=1,4) END DO IF (VERBOSE) THEN WRITE (NOISE,*) 'tmat (v'' = v * tmat):' DO I=1,4 WRITE (NOISE,'(4f9.4)') (TMAT(I,J),J=1,4) END DO END IF * * Initialize output file IERR = LOCAL(5, IBKGND(1), IBKGND(2), IBKGND(3)) IERR = LOCAL(1, NAX, NAY, OTMODE, QUALITY) IERR = LOCAL(4, TITLE) * * Allow command line rescaling option IF (ZOOM.LT.0.) ZOOM = -ZOOM / 100. IF (ZOOM.GT.0.) TMAT(4,4) = TMAT(4,4) / ZOOM IF (VERBOSE .AND. ZOOM.NE.0.) THEN WRITE (NOISE,1106) 'zoom factor = ',ZOOM ENDIF * * EAM - The original output mode was "upside down" compared * to what most graphics programs expect to see. It is messy * to change the evaluation order everywhere so that pixels can be * streamed to stdout, so instead I invert the Y axis in TMAT and SOURCE * here. * The actual decision whether or not to invert is done in local.c * and returned as a bit in the status word returned by local(0,...) IF (INVERT) THEN DO I = 1,4 TMAT(I,2) = -TMAT(I,2) ENDDO SOURCE(2) = -SOURCE(2) ENDIF * * By popular demand, add a post-hoc rotation/translation option * that uses matrices of the form used by O and molscript * Initialized here to identity matrix; set by GPROP options. DO I = 1,4 DO J = 1,4 RAFTER(I,J) = 0.0 ENDDO RAFTER(I,I) = 1.0 ENDDO TAFTER(1) = 0.0 TAFTER(2) = 0.0 TAFTER(3) = 0.0 * * Compute the rotation matrix which takes the light * source to the +z axis (i.e., to the viewpoint). * first make p = source cross z (and normalize p) P1 = SOURCE(2) P2 = -SOURCE(1) * p3 = 0 PLEN = SQRT(P1**2 + P2**2) IF (PLEN .GT. 0.0) P1 = P1 / PLEN IF (PLEN .GT. 0.0) P2 = P2 / PLEN * phi is the angle between source and z (shortest route) COSPHI = SOURCE(3) SINPHI = PLEN SROT(1,1) = P1**2 + (1.-P1**2)*COSPHI SROT(1,2) = P1*P2*(1.-COSPHI) SROT(1,3) = P2*SINPHI SROT(2,1) = SROT(1,2) SROT(2,2) = P2**2 + (1.-P2**2)*COSPHI SROT(2,3) = -P1*SINPHI SROT(3,1) = -SROT(1,3) SROT(3,2) = -SROT(2,3) SROT(3,3) = COSPHI SROT(1,4) = 0.0 SROT(2,4) = 0.0 SROT(3,4) = 0.0 SROT(4,1) = 0.0 SROT(4,2) = 0.0 SROT(4,3) = 0.0 SROT(4,4) = 1.0 * * Quadrics will require the inverse matrix also (and its transpose) * This is also a convenient place to check legality of TMAT CALL QSETUP * * Get input mode READ (INPUT,*,ERR=104) INMODE C WRITE (NOISE,*) 'inmode=',INMODE CALL ASSERT (INMODE.GE.1,'bad inmode') * * Get input format(s) IF (INMODE.EQ.1.OR.INMODE.EQ.2) THEN READ (INPUT,'(A)',ERR=104) INFMT C WRITE (NOISE,*) 'infmt=',INFMT II = 0 2 CONTINUE IF (INFMT(1:1).EQ.' ') THEN INFMT(1:79) = INFMT(2:80) INFMT(80:80) = ' ' II = II + 1 IF (II.LT.80) GO TO 2 ENDIF IF (INFMT(1:1).EQ.'*') THEN INFLG = .TRUE. ELSE INFLG = .FALSE. ENDIF ELSEIF (INMODE.GE.3) THEN C WRITE (NOISE,*) 'infmts:' DO 4 I=1,3 READ (INPUT,'(A)',ERR=104) INFMTS(I) C WRITE (NOISE,*) INFMTS(I) II = 0 3 CONTINUE IF (INFMTS(I)(1:1).EQ.' ') THEN INFMTS(I)(1:79) = INFMTS(I)(2:80) INFMTS(I)(80:80) = ' ' II = II + 1 IF (II.LT.80) GO TO 3 ENDIF IF (INFMTS(I)(1:1).EQ.'*') THEN INFLGS(I) = .TRUE. ELSE INFLGS(I) = .FALSE. ENDIF 4 CONTINUE INFLGS(PLANE) = INFLGS(TRIANG) INFMTS(PLANE) = INFMTS(TRIANG) INFLGS(NORMS) = INFLGS(TRIANG) INFMTS(NORMS) = INFMTS(TRIANG) INFLGS(VERTEXRGB) = INFLGS(TRIANG) INFMTS(VERTEXRGB) = INFMTS(TRIANG) INFLGS(VERTRANSP) = INFLGS(TRIANG) INFMTS(VERTRANSP) = INFMTS(TRIANG) INFLGS(MATERIAL) = .TRUE. INFLGS(GLOWLIGHT) = .TRUE. INFLGS(QUADRIC) = .TRUE. ELSE CALL ASSERT (.FALSE.,'bad inmode') ENDIF c c Done with header records c Do we force-close the input file, so that we can borrow headers, c or should we keep going as long as the file continues? c The following 4 lines implement the former, so that the initial c @file command essentially means 'use his header records for me too'. c c IF (INPUT.NE.INPUT0) THEN c CLOSE(INPUT) c INPUT = INPUT0 c ENDIF c As of V2.5e, however, we keep reading. c >>> This is a change! <<< c c End of header processing * * Give them a notice to stare at while the program cranks along WRITE (NOISE,'(1X)') WRITE (NOISE,*) '%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%', & '%%%%%%%%%%%%%%%%%%%%%%%%%%' WRITE (NOISE,*) '% Raster3D ',VERSION, & ' %' WRITE (NOISE,*) '% -------------------------', & '------------- %' WRITE (NOISE,*) '% If you publish figures generated by this ', & 'program please cite %' WRITE (NOISE,*) '% Merritt & Bacon (1997) ', & 'Meth. Enzymol. 277, 505-524.',' %' WRITE (NOISE,*) '% -------------------------', & '------------- %' WRITE (NOISE,*) '% Raster3D distribution site', & ' %' WRITE (NOISE,*) '% http://www.bmsc.washington.edu/', & 'raster3d/ %' WRITE (NOISE,*) '% comments & suggestions to: ', & ' merritt@u.washington.edu %' WRITE (NOISE,*) '%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%', & '%%%%%%%%%%%%%%%%%%%%%%%%%%' * * If label processing is selected on command line, initialize * PostScript output file. This isn't needed for Version 3, which * uses libgd rather than PostScript to handle labels PSSCALE = 2.0 * MIN( NTX*NOX/2., NTY*NOY/2. ) CALL LSETUP( PSSCALE, BKGND, TITLE ) WRITE (NOISE,'(1X)') * * Initialize gamma correction table GAMMACORRECTION = .FALSE. IF (GAMMA.LT.0.99 .OR. GAMMA.GT.1.01) GAMMACORRECTION = .TRUE. IF (GAMMACORRECTION) THEN DO I=0,MAXRGB G = I GAMMA_MAP(I+1) = (G/MAXRGB) ** (1.0/GAMMA) * MAXRGB + 0.5 ENDDO ENDIF * * * Initialize counters DO 5 J=1,NTY DO 5 I=1,NTX KOUNT(I,J) = 0 TTRANS(I,J) = 0 5 CONTINUE DO 6 J=1,NSY DO 6 I=1,NSX MOUNT(I,J) = 0 6 CONTINUE c DO 662 I = 1,SIZE(FLAG) FLAG(I) = 0 662 CONTINUE nprops = 0 npropm = 0 ntransp = 0 nsphere = 0 ncylind = 0 nplanes = 0 nhidden = 0 ninside = 0 mstate = 0 nlabels = 0 nglows = 0 nquads = 0 nclip = 0 nvtrans = 0 nbplanes = 0 tranovfl = 0 c c Objects in, and count up objects that may impinge on each tile NDET = 0 IF (SHADOW) MDET = 0 N = 0 c c Read in next object 7 CONTINUE IF (INMODE.EQ.1.OR.INMODE.EQ.2) THEN INTYPE = INMODE GOTO 8 ENDIF C C READ (INPUT,*,END=50) INTYPE READ (INPUT,'(A)',END=50,ERR=47) LINE c Nov 1997 - allow # comments IF (LINE(1:1) .EQ. '#') THEN GOTO 7 c May 1996 - allow file indirection ELSE IF (LINE(1:1) .EQ. '@') THEN J = 1 K = 132 L = 132 DO I=132,2,-1 IF (LINE(I:I).NE.' ') J = I IF (LINE(I:I).EQ.'#') K = I-1 IF (LINE(I:I).EQ.'!') K = I-1 IF (LINE(I:I).EQ.CHAR(0)) K = I-1 IF (LINE(I:I).EQ.' ') LINE(I:I) = ' ' ENDDO IF (J.EQ.1) GOTO 7 L=0 DO I=J,K IF (LINE(I:I).NE.' ') L = I ENDDO K = L IF (LINE(K:K).eq.'Z' .or. LINE(K-1:K).eq.'gz') THEN c ungz will uncompress into a temporary file, which ought to c be deleted later. Unfortunately, that's hard to do in g77 c since it doesn't support dispose='DELETE'. line(k+1:k+1) = char(0) if (0 .gt. ungz( line(j:k+1), fullname )) goto 73 j = 1 k = 132 do i=132,2,-1 if (fullname(i:i).eq.' ') k = i-1 if (fullname(i:i).eq.char(0)) k = i-1 enddo if (verbose) & write(noise,*) 'Creating temporary file: ',fullname(j:k) open (unit=input+1,err=73,status='OLD', & file=fullname(j:k)) fullname = line(2:132) goto 72 ENDIF 70 CONTINUE OPEN (UNIT=INPUT+1,ERR=71,STATUS='OLD', & FILE=LINE(J:K)) FULLNAME = LINE(J:K) GOTO 72 71 CONTINUE IF (LINE(K-3:K).NE.'.r3d') THEN K = K + 4 LINE(K-3:K) = '.r3d' GOTO 70 ENDIF CALL LIBLOOKUP( LINE(J:K), FULLNAME ) OPEN (UNIT=INPUT+1,ERR=73,STATUS='OLD',FILE=FULLNAME) 72 CONTINUE DO I=132,2,-1 IF (FULLNAME(I:I).EQ.' ') J = I ENDDO WRITE (NOISE,'(A,A)') ' + Opening input file ',FULLNAME(1:J) INPUT = INPUT + 1 CALL ASSERT(INPUT-INPUT0.LE.MAXLEV, & 'Too many levels of indirection') GOTO 7 73 WRITE (NOISE,'(A,A)') ' >> Cannot open file ',LINE(J:K) GOTO 7 ELSE READ (LINE,*,END=50,ERR=74) INTYPE GOTO 76 74 WRITE (NOISE,'(A,A)') ' >> Unrecognized line: ',LINE GOTO 7 76 CONTINUE ENDIF IF (INTYPE.EQ.0) GO TO 50 IF (INTYPE .EQ. CYLFLAT) THEN INTYPE = CYLIND FLAG(N+1) = ior( FLAG(N+1), FLAT ) ELSEIF (INTYPE .EQ. MATEND) THEN MSTATE = 0 CLRITY = 0 CLROPT = 0 TRNSPOPT = 0 MATCOL = .FALSE. ISOLATION = 0 CLIPPING = .FALSE. NBOUNDS = 0 ORTEPLIKE = .FALSE. GOTO 7 ELSEIF (INTYPE .EQ. FONT) THEN IF (LFLAG) THEN CALL LINP( INPUT, INTYPE, .FALSE., RGBMAT ) ELSE READ (INPUT,'(A)',END=50) LINE ENDIF GOTO 7 ELSEIF (INTYPE .EQ. LABEL) THEN NLABELS = NLABELS + 1 IF (LFLAG) THEN IF (MSTATE.EQ.MATERIAL .AND. MATCOL) THEN CALL LINP( INPUT, INTYPE, .TRUE., RGBMAT ) ELSE CALL LINP( INPUT, INTYPE, .FALSE., RGBMAT ) ENDIF ELSE READ (INPUT,'(A)',END=50) LINE READ (INPUT,'(A)',END=50) LINE ENDIF GOTO 7 ELSEIF (INTYPE .EQ. ISOLATE1) THEN ISOLATION = 1 GOTO 7 ELSEIF (INTYPE .EQ. ISOLATE2) THEN ISOLATION = 2 GOTO 7 c Global Properties ELSEIF (INTYPE .EQ. GPROP) THEN READ (INPUT,'(A)',END=50) LINE L = 1 DO I = 132, 1, -1 IF (LINE(I:I).NE.' '.AND.LINE(I:I).NE.' ') L = I ENDDO IF (LINE(L:L+2).EQ.'FOG') THEN READ (LINE(L+4:74),*,ERR=771,END=771) & FOGTYPE, FOGFRONT, FOGBACK, FOGDEN 771 CONTINUE FOGRGB(1) = BKGND(1) FOGRGB(2) = BKGND(2) FOGRGB(3) = BKGND(3) CALL CHKRGB(FOGRGB(1),FOGRGB(2),FOGRGB(3),'invalid fog color') IF (FOGTYPE.NE.1) FOGTYPE = 0 IF (FOGDEN.LE.0.0) FOGDEN = 0.5 ELSE IF (LINE(L:L+8).EQ.'FRONTCLIP') THEN READ (LINE(L+10:132),*,ERR=75) FRONTCLIP FRONTCLIP = FRONTCLIP * SCALE / TMAT(4,4) ELSE IF (LINE(L:L+7).EQ.'BACKCLIP') THEN READ (LINE(L+9:132),*,ERR=75) BACKCLIP BACKCLIP = BACKCLIP * SCALE / TMAT(4,4) ELSE IF (LINE(L:L+7).EQ.'ROTATION') THEN READ (LINE(L+9:132),*,ERR=773,END=773) & ((RAFTER(I,J),J=1,3),I=1,3) GOTO 774 773 READ (INPUT,*,ERR=75) ((RAFTER(I,J),J=1,3),I=1,3) 774 WRITE (NOISE,775) ((RAFTER(I,J),J=1,3),I=1,3) 775 FORMAT('Post-rotation matrix: ',3(/,3F10.4)) D = DET(RAFTER) IF (ABS(1.0-ABS(D)).GT.0.02) WRITE (NOISE,*) & '>>> Warning: Post-rotation matrix has determinant',D IF (INVERT) THEN RAFTER(1,2) = -RAFTER(1,2) RAFTER(2,1) = -RAFTER(2,1) RAFTER(2,3) = -RAFTER(2,3) RAFTER(3,2) = -RAFTER(3,2) ENDIF CALL QSETUP ELSE IF (LINE(L:L+10).EQ.'TRANSLATION') THEN READ (LINE(L+12:132),*,ERR=776,END=776) & (TAFTER(I),I=1,3) GOTO 777 776 READ (INPUT,*,ERR=75) (TAFTER(I),I=1,3) 777 WRITE (NOISE,778) (TAFTER(I),I=1,3) 778 FORMAT('Post-translation: ',1(/,3F10.4)) IF (INVERT) TAFTER(2) = -TAFTER(2) ELSE IF (LINE(L:L+4).EQ.'DUMMY') THEN ELSE GOTO 75 ENDIF GOTO 7 75 CONTINUE WRITE(NOISE,'(A,A)') & '>> Unrecognized or incomplete GPROP option ',LINE GOTO 7 * ENDIF * COLD CALL ASSERT (INTYPE.GE.1.AND.INTYPE.LE.MXTYPE,'bad object') IF (INTYPE.LT.1 .OR. INTYPE.GT.MXTYPE) GOTO 47 CALL ASSERT (INTYPE.NE.INTERNAL,'object type 4 not available') c c Read in object details, now we know what kind it is. c Allow an all-zeroes record to terminate input for the c benefit of those of us who might inadvertently supply c a series of blank records after our real input as a c side-effect of tape blocking or sloppiness or ... 8 CONTINUE IF (INMODE.GE.3) THEN INFMT = INFMTS(INTYPE) INFLG = INFLGS(INTYPE) ENDIF IF (INFLG) THEN READ (INPUT,*,END=50) (BUF(I),I=1,IDET(INTYPE)) ELSE READ (INPUT,INFMT,END=50) (BUF(I),I=1,IDET(INTYPE)) ENDIF c 15-Dec-1999 This was supposed to check for all-zero line and exit c but all zeros is legal for [at least!] LABELs IF (INTYPE.EQ.LABEL) GOTO 9 DO I=1,IDET(INTYPE) IF (BUF(I).NE.0.) GO TO 9 ENDDO GO TO 50 9 CONTINUE * * Expand array DETAIL if needed: NDET+KDET(INTYPE) > size(DETAIL) NEEDMEM = NDET+KDET(INTYPE) if ( NEEDMEM .GT. SIZE(DETAIL) ) THEN CALL GET_TRY(SIZE(DETAIL), NEEDMEM, TRY1, 1) DO 920 ITRY = 1,3 if (TRY1(ITRY).LE.0 .OR. TRY1(ITRY).GT.MAXMEM) GOTO 920 ALLOCATE( TMP1DR(TRY1(ITRY)), stat=ierr ) if (ierr .NE. 0) GOTO 920 TMP1DR = 0. TMP1DR = DETAIL if(TEST_ALLOC)write(NOISE,*)"Expand DETAIL to ",try1(ITRY) CALL MOVE_ALLOC(from=TMP1DR, to=DETAIL) GOTO 922 920 CONTINUE ENDIF 922 CALL ASSERT (NEEDMEM.LE.SIZE(DETAIL), & 'too many object details - increase MAXDET and recompile') IF (SHADOW) THEN * Expand array SDTAIL if needed NEEDMEM = MDET+SDET(INTYPE) IF ( NEEDMEM .GT. SIZE(SDTAIL) ) THEN CALL GET_TRY(SIZE(SDTAIL), NEEDMEM, TRY1, 1) DO 925 ITRY = 1,3 if (TRY1(ITRY).LE.0.OR.TRY1(ITRY).GT.MAXMEM) GOTO 925 ALLOCATE( TMP1DR(TRY1(ITRY)), stat=ierr ) if (ierr .NE. 0) GOTO 925 TMP1DR = 0. TMP1DR = SDTAIL CALL MOVE_ALLOC(from=TMP1DR, to=SDTAIL) if(TEST_ALLOC)write(NOISE,*)"Expand SDTAIL to ", & try1(ITRY) GOTO 927 925 CONTINUE ENDIF 927 CALL ASSERT (NEEDMEM.LE.SIZE(SDTAIL), & 'too many shadow object details - increase MAXSDT and recompile') ENDIF N = N + 1 * Expand arrays ZTEMP, ZINDEX, LIST, MIST, TYPE, FLAG if needed IF (N.GT.SIZE(FLAG)) THEN CALL GET_TRY(SIZE(FLAG), N, TRY1, 1) DO 930 ITRY = 1,3 if (TRY1(ITRY).LE.0.OR.TRY1(ITRY).GT.MAXMEM) GOTO 930 ALLOCATE( TMP1DR(TRY1(ITRY)), stat=ierr ) if (ierr .NE. 0) GOTO 930 TMP1DR = 0. TMP1DR = ZTEMP CALL MOVE_ALLOC(from=TMP1DR, to=ZTEMP) ALLOCATE( TMP1D(TRY1(ITRY)), stat=ierr ) if (ierr .NE. 0) GOTO 930 TMP1D = 0 TMP1D = ZINDEX CALL MOVE_ALLOC(from=TMP1D, to=ZINDEX) ALLOCATE( TMP1D(TRY1(ITRY)), stat=ierr ) if (ierr .NE. 0) GOTO 930 TMP1D = 0 TMP1D = LIST CALL MOVE_ALLOC(from=TMP1D, to=LIST) ALLOCATE( TMP1D(TRY1(ITRY)), stat=ierr ) if (ierr .NE. 0) GOTO 930 TMP1D = 0 TMP1D = MIST CALL MOVE_ALLOC(from=TMP1D, to=MIST) ALLOCATE( TMP1D(TRY1(ITRY)), stat=ierr ) if (ierr .NE. 0) GOTO 930 TMP1D = 0 TMP1D = TYPE CALL MOVE_ALLOC(from=TMP1D, to=TYPE) ALLOCATE( TMP1DI4(TRY1(ITRY)), stat=ierr ) if (ierr .NE. 0) GOTO 930 TMP1DI4 = 0 TMP1DI4 = FLAG CALL MOVE_ALLOC(from=TMP1DI4, to=FLAG) if(TEST_ALLOC)write(NOISE,*)"Expand MAXOBJ to ",size(FLAG) GOTO 932 930 CONTINUE ENDIF 932 CALL ASSERT (N.LE.SIZE(FLAG), & 'too many objects - increase MAXOBJ and recompile') C 20-Feb-1997 Save both object type and material type TYPE(N) = INTYPE IF (MSTATE.EQ.MATERIAL) FLAG(N) = FLAG(N) + 65536 * NPROPM LIST(N) = NDET IF (SHADOW) MIST(N) = MDET ISTRANS = 0 * From this point on, we'll use the symbolic codes for objects IF (INTYPE.EQ.TRIANG .or. INTYPE.EQ.PLANE) THEN * triangle as read in X1A = BUF(1) Y1A = BUF(2) Z1A = BUF(3) X2A = BUF(4) Y2A = BUF(5) Z2A = BUF(6) X3A = BUF(7) Y3A = BUF(8) Z3A = BUF(9) RED = BUF(10) GRN = BUF(11) BLU = BUF(12) CALL CHKRGB( RED,GRN,BLU,'invalid triangle color' ) CALL ASSERT (IDET(INTYPE).EQ.12,'idet(1).ne.12') IF (MSTATE.EQ.MATERIAL) THEN FLAG(N) = ior(FLAG(N),PROPS) NPROPS = NPROPS + 1 IF (CLRITY.GT.0) THEN FLAG(N) = ior(FLAG(N),TRANSP) IF (CLROPT.EQ.1) FLAG(N) = ior(FLAG(N),MOPT1) NTRANSP = NTRANSP + 1 ISTRANS = 1 ENDIF IF (CLIPPING) THEN FLAG(N) = ior(FLAG(N),CLIPPED) ENDIF IF (NBOUNDS.GT.0) FLAG(N) = ior(FLAG(N),BOUNDED) IF (MATCOL) THEN RED = RGBMAT(1) GRN = RGBMAT(2) BLU = RGBMAT(3) ENDIF ENDIF * Isolated objects not transformed by TMAT, but still subject to inversion IF (ISOLATION.GT.0) THEN CALL ISOLATE(X1A,Y1A) CALL ISOLATE(X2A,Y2A) CALL ISOLATE(X3A,Y3A) ELSE * update true coordinate limits TRULIM(1,1) = MIN( TRULIM(1,1), X1A,X2A,X3A) TRULIM(1,2) = MAX( TRULIM(1,2), X1A,X2A,X3A) TRULIM(2,1) = MIN( TRULIM(2,1), Y1A,Y2A,Y3A) TRULIM(2,2) = MAX( TRULIM(2,2), Y1A,Y2A,Y3A) TRULIM(3,1) = MIN( TRULIM(3,1), Z1A,Z2A,Z3A) TRULIM(3,2) = MAX( TRULIM(3,2), Z1A,Z2A,Z3A) * modify the input, so to speak CALL TRANSF (X1A,Y1A,Z1A) CALL TRANSF (X2A,Y2A,Z2A) CALL TRANSF (X3A,Y3A,Z3A) ENDIF * perspective factor for each corner IF (EYEPOS.GT.0) THEN PFAC1 = PERSP( Z1A ) PFAC2 = PERSP( Z2A ) PFAC3 = PERSP( Z3A ) END IF * apply perspective X1B = X1A * PFAC1 Y1B = Y1A * PFAC1 Z1B = Z1A * PFAC1 X2B = X2A * PFAC2 Y2B = Y2A * PFAC2 Z2B = Z2A * PFAC2 X3B = X3A * PFAC3 Y3B = Y3A * PFAC3 Z3B = Z3A * PFAC3 * scale and translate to pixel space X1C = X1B * SCALE + XCENT Y1C = Y1B * SCALE + YCENT Z1C = Z1B * SCALE X2C = X2B * SCALE + XCENT Y2C = Y2B * SCALE + YCENT Z2C = Z2B * SCALE X3C = X3B * SCALE + XCENT Y3C = Y3B * SCALE + YCENT Z3C = Z3B * SCALE * save transformed Z limits ZLIM(1) = MIN( ZLIM(1), Z1C,Z2C,Z3C ) ZLIM(2) = MAX( ZLIM(2), Z1C,Z2C,Z3C ) * * check for Z-clipping JUSTCLIPPED = .FALSE. IF (INTYPE.NE.PLANE) THEN IF ((MIN(Z1C,Z2C,Z3C) .GT. FRONTCLIP) & .OR.(MAX(Z1C,Z2C,Z3C) .LT. BACKCLIP)) THEN JUSTCLIPPED = .TRUE. GOTO 45 ENDIF IF (CLIPPING) THEN MIND = LIST(MLIST(NPROPM)) IF ((MIN(Z1C,Z2C,Z3C) .GT. DETAIL(MIND+16)) & .OR.(MAX(Z1C,Z2C,Z3C) .LT. DETAIL(MIND+17))) THEN JUSTCLIPPED = .TRUE. GOTO 45 ENDIF ENDIF ENDIF * * solve for coefficients of plane eqn z=Ax+By+C CALL PLANER(X1C,Y1C,Z1C, & X2C,Y2C,Z2C, & X3C,Y3C,Z3C, A,B,C,D) * save results for PLANE object * PLANE impinges on all tiles, but casts no shadows IF (INTYPE.EQ. PLANE) THEN NPLANES = NPLANES + 1 DETAIL(NDET+1) = A DETAIL(NDET+2) = B DETAIL(NDET+3) = C DETAIL(NDET+4) = D DETAIL(NDET+5) = RED DETAIL(NDET+6) = GRN DETAIL(NDET+7) = BLU CALL ASSERT(KDET(INTYPE).EQ.7,'kdet(6).ne.7') NDET = NDET + KDET(INTYPE) DO IY = 1,NTY DO IX = 1,NTX KOUNT(IX,IY) = KOUNT(IX,IY) + 1 TTRANS(IX,IY) = TTRANS(IX,IY) + ISTRANS ENDDO ENDDO C write(NOISE,*)"Incr kount ",NTX," x ",NTY IF (SHADOW) THEN MDET = MDET + SDET(INTYPE) ENDIF GOTO 7 ENDIF * save results for normal triangles DETAIL(NDET+1) = X1C DETAIL(NDET+2) = Y1C DETAIL(NDET+3) = Z1C DETAIL(NDET+4) = X2C DETAIL(NDET+5) = Y2C DETAIL(NDET+6) = Z2C DETAIL(NDET+7) = X3C DETAIL(NDET+8) = Y3C DETAIL(NDET+9) = Z3C DETAIL(NDET+10) = A DETAIL(NDET+11) = B DETAIL(NDET+12) = C DETAIL(NDET+13) = D DETAIL(NDET+14) = RED DETAIL(NDET+15) = GRN DETAIL(NDET+16) = BLU CALL ASSERT (KDET(INTYPE).EQ.16,'kdet(1).ne.16') NDET = NDET + KDET(INTYPE) * tally for tiles the object might impinge on IXLO = MIN(X1C,X2C,X3C)/NPX + 1 IXHI = MAX(X1C,X2C,X3C)/NPX + 1 IYLO = MIN(Y1C,Y2C,Y3C)/NPY + 1 IYHI = MAX(Y1C,Y2C,Y3C)/NPY + 1 IF (IXLO.LT.1 ) IXLO=1 IF (IXLO.GT.NTX) GO TO 11 IF (IXHI.LT.1 ) GO TO 11 IF (IXHI.GT.NTX) IXHI=NTX IF (IYLO.LT.1 ) IYLO=1 IF (IYLO.GT.NTY) GO TO 11 IF (IYHI.LT.1 ) GO TO 11 IF (IYHI.GT.NTY) IYHI=NTY DO 10 IY=IYLO,IYHI DO 10 IX=IXLO,IXHI KOUNT(IX,IY) = KOUNT(IX,IY) + 1 TTRANS(IX,IY) = TTRANS(IX,IY) + ISTRANS 10 CONTINUE C write(NOISE,*)"Incr kount b ",IXLO,"-",IXHI," x ",IYLO,"-",IYHI 11 CONTINUE * repeat for shadow buffer if necessary IF (SHADOW) THEN * rotate light source to z to take light source viewpoint X1R = SROT(1,1)*X1B+SROT(1,2)*Y1B+SROT(1,3)*Z1B Y1R = SROT(2,1)*X1B+SROT(2,2)*Y1B+SROT(2,3)*Z1B Z1R = SROT(3,1)*X1B+SROT(3,2)*Y1B+SROT(3,3)*Z1B X2R = SROT(1,1)*X2B+SROT(1,2)*Y2B+SROT(1,3)*Z2B Y2R = SROT(2,1)*X2B+SROT(2,2)*Y2B+SROT(2,3)*Z2B Z2R = SROT(3,1)*X2B+SROT(3,2)*Y2B+SROT(3,3)*Z2B X3R = SROT(1,1)*X3B+SROT(1,2)*Y3B+SROT(1,3)*Z3B Y3R = SROT(2,1)*X3B+SROT(2,2)*Y3B+SROT(2,3)*Z3B Z3R = SROT(3,1)*X3B+SROT(3,2)*Y3B+SROT(3,3)*Z3B * scale and translate for shadow space X1S = X1R * SCALE + SXCENT Y1S = Y1R * SCALE + SYCENT Z1S = Z1R * SCALE X2S = X2R * SCALE + SXCENT Y2S = Y2R * SCALE + SYCENT Z2S = Z2R * SCALE X3S = X3R * SCALE + SXCENT Y3S = Y3R * SCALE + SYCENT Z3S = Z3R * SCALE * solve plane eqn etc. CALL PLANER(X1S,Y1S,Z1S, & X2S,Y2S,Z2S, & X3S,Y3S,Z3S, A,B,C,D) * save results etc. SDTAIL(MDET+1) = X1S SDTAIL(MDET+2) = Y1S SDTAIL(MDET+3) = Z1S SDTAIL(MDET+4) = X2S SDTAIL(MDET+5) = Y2S SDTAIL(MDET+6) = Z2S SDTAIL(MDET+7) = X3S SDTAIL(MDET+8) = Y3S SDTAIL(MDET+9) = Z3S SDTAIL(MDET+10) = A SDTAIL(MDET+11) = B SDTAIL(MDET+12) = C SDTAIL(MDET+13) = D CALL ASSERT (SDET(INTYPE).EQ.13,'sdet(1).ne.13') MDET = MDET + SDET(INTYPE) * tally for shadow tiles the object might impinge on IXLO = MIN(X1S,X2S,X3S)/NPX + 1 IXHI = MAX(X1S,X2S,X3S)/NPX + 1 IYLO = MIN(Y1S,Y2S,Y3S)/NPY + 1 IYHI = MAX(Y1S,Y2S,Y3S)/NPY + 1 IF (IXLO.LT.1 ) IXLO=1 IF (IXLO.GT.NSX) GO TO 16 IF (IXHI.LT.1 ) GO TO 16 IF (IXHI.GT.NSX) IXHI=NSX IF (IYLO.LT.1 ) IYLO=1 IF (IYLO.GT.NSY) GO TO 16 IF (IYHI.LT.1 ) GO TO 16 IF (IYHI.GT.NSY) IYHI=NSY DO 15 IY=IYLO,IYHI DO 15 IX=IXLO,IXHI MOUNT(IX,IY) = MOUNT(IX,IY) + 1 15 CONTINUE 16 CONTINUE ENDIF ELSEIF (INTYPE.EQ.SPHERE) THEN * sphere as read in XA = BUF(1) YA = BUF(2) ZA = BUF(3) RA = BUF(4) RED = BUF(5) GRN = BUF(6) BLU = BUF(7) CALL CHKRGB (RED,GRN,BLU,'invalid sphere color') CALL ASSERT (IDET(INTYPE).EQ.7,'idet(2).ne.7') IF (MSTATE.EQ.MATERIAL) THEN FLAG(N) = ior(FLAG(N),PROPS) NPROPS = NPROPS + 1 IF (CLRITY.GT.0) THEN FLAG(N) = ior(FLAG(N),TRANSP) IF (CLROPT.EQ.1) FLAG(N) = ior(FLAG(N),MOPT1) NTRANSP = NTRANSP + 1 ISTRANS = 1 ENDIF IF (CLIPPING) THEN FLAG(N) = ior(FLAG(N),CLIPPED) ENDIF IF (NBOUNDS.GT.0) FLAG(N) = ior(FLAG(N),BOUNDED) IF (MATCOL) THEN RED = RGBMAT(1) GRN = RGBMAT(2) BLU = RGBMAT(3) ENDIF ENDIF * Isolated objects not transformed by TMAT, but still subject to inversion IF (ISOLATION.GT.0) THEN CALL ISOLATE(XA,YA) ELSE * update true coordinate limits TRULIM(1,1) = MIN( TRULIM(1,1), XA ) TRULIM(1,2) = MAX( TRULIM(1,2), XA ) TRULIM(2,1) = MIN( TRULIM(2,1), YA ) TRULIM(2,2) = MAX( TRULIM(2,2), YA ) TRULIM(3,1) = MIN( TRULIM(3,1), ZA ) TRULIM(3,2) = MAX( TRULIM(3,2), ZA ) * modify the input, as it were CALL TRANSF (XA,YA,ZA) RA = RA / TMAT(4,4) ENDIF * perspective IF (EYEPOS.GT.0) PFAC = PERSP(ZA) XB = XA * PFAC YB = YA * PFAC ZB = ZA * PFAC RB = RA * PFAC * scale & translate XC = XB * SCALE + XCENT YC = YB * SCALE + YCENT ZC = ZB * SCALE RC = RB * SCALE * save transformed Z limits ZLIM(1) = MIN( ZLIM(1), ZC ) ZLIM(2) = MAX( ZLIM(2), ZC ) * check for Z-clipping IF (ZC .GT. FRONTCLIP .OR. ZC .LT. BACKCLIP) THEN JUSTCLIPPED = .TRUE. GOTO 45 ELSE JUSTCLIPPED = .FALSE. ENDIF * save results DETAIL(NDET+1) = XC DETAIL(NDET+2) = YC DETAIL(NDET+3) = ZC DETAIL(NDET+4) = RC DETAIL(NDET+5) = RED DETAIL(NDET+6) = GRN DETAIL(NDET+7) = BLU CALL ASSERT (KDET(INTYPE).EQ.7,'kdet(2).ne.7') NDET = NDET + KDET(INTYPE) nsphere = nsphere + 1 * tally for tiles the object might impinge on IXLO = (XC-RC)/NPX + 1 IXHI = (XC+RC)/NPX + 1 IYLO = (YC-RC)/NPY + 1 IYHI = (YC+RC)/NPY + 1 IF (IXLO.LT.1 ) IXLO=1 IF (IXLO.GT.NTX) GO TO 21 IF (IXHI.LT.1 ) GO TO 21 IF (IXHI.GT.NTX) IXHI=NTX IF (IYLO.LT.1 ) IYLO=1 IF (IYLO.GT.NTY) GO TO 21 IF (IYHI.LT.1 ) GO TO 21 IF (IYHI.GT.NTY) IYHI=NTY DO 20 IY=IYLO,IYHI DO 20 IX=IXLO,IXHI KOUNT(IX,IY) = KOUNT(IX,IY) + 1 TTRANS(IX,IY) = TTRANS(IX,IY) + ISTRANS 20 CONTINUE C write(NOISE,*)"Incr kount c ",IXLO,"-",IXHI," x ",IYLO,"-",IYHI, C & kstart(IXLO,IYLO),kstop(IXLO,IYLO),kount(IXLO,IYLO) 21 CONTINUE * repeat for shadow buffer if necessary IF (SHADOW) THEN * rotate light source to z to take light source viewpoint XR = SROT(1,1)*XB+SROT(1,2)*YB+SROT(1,3)*ZB YR = SROT(2,1)*XB+SROT(2,2)*YB+SROT(2,3)*ZB ZR = SROT(3,1)*XB+SROT(3,2)*YB+SROT(3,3)*ZB RR = RB * scale and translate for shadow space XS = XR * SCALE + SXCENT YS = YR * SCALE + SYCENT ZS = ZR * SCALE RS = RR * SCALE * save results SDTAIL(MDET+1) = XS SDTAIL(MDET+2) = YS SDTAIL(MDET+3) = ZS SDTAIL(MDET+4) = RS CALL ASSERT (SDET(INTYPE).EQ.4,'sdet(2).ne.4') MDET = MDET + SDET(INTYPE) * tally for shadow tiles the object might impinge on IXLO = (XS-RS)/NPX + 1 IXHI = (XS+RS)/NPX + 1 IYLO = (YS-RS)/NPY + 1 IYHI = (YS+RS)/NPY + 1 IF (IXLO.LT.1 ) IXLO=1 IF (IXLO.GT.NSX) GO TO 26 IF (IXHI.LT.1 ) GO TO 26 IF (IXHI.GT.NSX) IXHI=NSX IF (IYLO.LT.1 ) IYLO=1 IF (IYLO.GT.NSY) GO TO 26 IF (IYHI.LT.1 ) GO TO 26 IF (IYHI.GT.NSY) IYHI=NSY DO 25 IY=IYLO,IYHI DO 25 IX=IXLO,IXHI MOUNT(IX,IY) = MOUNT(IX,IY) + 1 25 CONTINUE 26 CONTINUE ENDIF c 30-Dec-99 duplicate transparent spheres, if requested, so that c the inside surface can be rendered also. BUF() is still loaded c with specs for the current object; we just need to set flags. IF ( iand(FLAG(N),TRANSP).NE.0 .AND. CLROPT.EQ.2 & .AND. iand(FLAG(N),INSIDE).EQ.0) THEN FLAG(N+1) = INSIDE NINSIDE = NINSIDE + 1 GOTO 9 ENDIF ELSEIF (INTYPE.EQ.CYLIND) THEN * EAM May 1990 cylinder as read in X1A = BUF(1) Y1A = BUF(2) Z1A = BUF(3) R1A = BUF(4) X2A = BUF(5) Y2A = BUF(6) Z2A = BUF(7) R2A = R1A RED = BUF(9) GRN = BUF(10) BLU = BUF(11) CALL CHKRGB (RED,GRN,BLU,'invalid cylinder color') CALL ASSERT (IDET(INTYPE).EQ.11,'idet(1).ne.11') * Zero length cylinder is better treated as sphere * EAM 22-Nov-96 IF ((iand(FLAG(N),FLAT).EQ.0) .AND. & (X1A.EQ.X2A).AND.(Y1A.EQ.Y2A).AND.(Z1A.EQ.Z2A)) THEN BUF(5) = BUF(9) BUF(6) = BUF(10) BUF(7) = BUF(11) INTYPE = SPHERE N = N-1 GOTO 9 ENDIF IF (MSTATE.EQ.MATERIAL) THEN FLAG(N) = ior(FLAG(N),PROPS) NPROPS = NPROPS + 1 IF (CLRITY.GT.0) THEN FLAG(N) = ior(FLAG(N),TRANSP) IF (CLROPT.EQ.1) FLAG(N) = ior(FLAG(N),MOPT1) NTRANSP = NTRANSP + 1 ISTRANS = 1 ENDIF IF (CLIPPING) THEN FLAG(N) = ior(FLAG(N),CLIPPED) ENDIF IF (NBOUNDS.GT.0) FLAG(N) = ior(FLAG(N),BOUNDED) IF (MATCOL) THEN RED = RGBMAT(1) GRN = RGBMAT(2) BLU = RGBMAT(3) ENDIF ENDIF * Isolated objects not transformed by TMAT, but still subject to inversion IF (ISOLATION.GT.0) THEN CALL ISOLATE(X1A,Y1A) CALL ISOLATE(X2A,Y2A) ELSE * update true coordinate limits TRULIM(1,1) = MIN( TRULIM(1,1), X1A,X2A) TRULIM(1,2) = MAX( TRULIM(1,2), X1A,X2A) TRULIM(2,1) = MIN( TRULIM(2,1), Y1A,Y2A) TRULIM(2,2) = MAX( TRULIM(2,2), Y1A,Y2A) TRULIM(3,1) = MIN( TRULIM(3,1), Z1A,Z2A) TRULIM(3,2) = MAX( TRULIM(3,2), Z1A,Z2A) * modify the input, so to speak CALL TRANSF (X1A,Y1A,Z1A) CALL TRANSF (X2A,Y2A,Z2A) R1A = R1A / TMAT(4,4) R2A = R2A / TMAT(4,4) ENDIF * perspective factor for each corner IF (EYEPOS.GT.0) THEN PFAC1 = PERSP( Z1A ) PFAC2 = PERSP( Z2A ) END IF * apply perspective X1B = X1A * PFAC1 Y1B = Y1A * PFAC1 Z1B = Z1A * PFAC1 R1B = R1A * PFAC1 X2B = X2A * PFAC2 Y2B = Y2A * PFAC2 Z2B = Z2A * PFAC2 R2B = R2A * PFAC2 * scale and translate to pixel space X1C = X1B * SCALE + XCENT Y1C = Y1B * SCALE + YCENT Z1C = Z1B * SCALE R1C = R1B * SCALE X2C = X2B * SCALE + XCENT Y2C = Y2B * SCALE + YCENT Z2C = Z2B * SCALE R2C = R2B * SCALE * save transformed Z limits ZLIM(1) = MIN( ZLIM(1), Z1C,Z2C ) ZLIM(2) = MAX( ZLIM(2), Z1C,Z2C ) * check for Z-clipping IF ((MIN(Z1C,Z2C) .GT. FRONTCLIP) & .OR.(MAX(Z1C,Z2C) .LT. BACKCLIP)) THEN JUSTCLIPPED = .TRUE. GOTO 45 ELSE JUSTCLIPPED = .FALSE. ENDIF * save results DETAIL(NDET+1) = X1C DETAIL(NDET+2) = Y1C DETAIL(NDET+3) = Z1C DETAIL(NDET+4) = R1C DETAIL(NDET+5) = X2C DETAIL(NDET+6) = Y2C DETAIL(NDET+7) = Z2C DETAIL(NDET+8) = R2C * EAM save anything else? DETAIL(NDET+9) = RED DETAIL(NDET+10) = GRN DETAIL(NDET+11) = BLU CALL ASSERT (KDET(INTYPE).EQ.11,'kdet(1).ne.11') NDET = NDET + KDET(INTYPE) ncylind = ncylind + 1 * tally for tiles the object might impinge on IXLO = MIN(X1C-R1C,X2C-R2C) / NPX + 1 IXHI = MAX(X1C+R1C,X2C+R2C) / NPX + 1 IYLO = MIN(Y1C-R1C,Y2C-R2C) / NPY + 1 IYHI = MAX(Y1C+R1C,Y2C+R2C) / NPY + 1 IF (IXLO.LT.1 ) IXLO=1 IF (IXLO.GT.NTX) GO TO 711 IF (IXHI.LT.1 ) GO TO 711 IF (IXHI.GT.NTX) IXHI=NTX IF (IYLO.LT.1 ) IYLO=1 IF (IYLO.GT.NTY) GO TO 711 IF (IYHI.LT.1 ) GO TO 711 IF (IYHI.GT.NTY) IYHI=NTY DO 710 IY=IYLO,IYHI DO 710 IX=IXLO,IXHI KOUNT(IX,IY) = KOUNT(IX,IY) + 1 TTRANS(IX,IY) = TTRANS(IX,IY) + ISTRANS 710 CONTINUE C write(NOISE,*)"Incr kount d ",IXLO,"-",IXHI," x ",IYLO,"-",IYHI 711 CONTINUE * repeat for shadow buffer if necessary IF (SHADOW) THEN * rotate light source to z to take light source viewpoint X1R = SROT(1,1)*X1B+SROT(1,2)*Y1B+SROT(1,3)*Z1B Y1R = SROT(2,1)*X1B+SROT(2,2)*Y1B+SROT(2,3)*Z1B Z1R = SROT(3,1)*X1B+SROT(3,2)*Y1B+SROT(3,3)*Z1B X2R = SROT(1,1)*X2B+SROT(1,2)*Y2B+SROT(1,3)*Z2B Y2R = SROT(2,1)*X2B+SROT(2,2)*Y2B+SROT(2,3)*Z2B Z2R = SROT(3,1)*X2B+SROT(3,2)*Y2B+SROT(3,3)*Z2B * scale and translate for shadow space X1S = X1R * SCALE + SXCENT Y1S = Y1R * SCALE + SYCENT Z1S = Z1R * SCALE R1S = R1B * SCALE X2S = X2R * SCALE + SXCENT Y2S = Y2R * SCALE + SYCENT Z2S = Z2R * SCALE R2S = R2B * SCALE * save results etc. SDTAIL(MDET+1) = X1S SDTAIL(MDET+2) = Y1S SDTAIL(MDET+3) = Z1S SDTAIL(MDET+4) = R1S SDTAIL(MDET+5) = X2S SDTAIL(MDET+6) = Y2S SDTAIL(MDET+7) = Z2S SDTAIL(MDET+8) = R2S CALL ASSERT (SDET(INTYPE).EQ.8,'sdet(1).ne.8') MDET = MDET + SDET(INTYPE) * tally for shadow tiles the object might impinge on IXLO = MIN(X1S-R1S,X2S-R2S) / NPX + 1 IXHI = MAX(X1S+R1S,X2S+R2S) / NPX + 1 IYLO = MIN(Y1S-R1S,Y2S-R2S) / NPY + 1 IYHI = MAX(Y1S+R1S,Y2S+R2S) / NPY + 1 IF (IXLO.LT.1 ) IXLO=1 IF (IXLO.GT.NSX) GO TO 716 IF (IXHI.LT.1 ) GO TO 716 IF (IXHI.GT.NSX) IXHI=NSX IF (IYLO.LT.1 ) IYLO=1 IF (IYLO.GT.NSY) GO TO 716 IF (IYHI.LT.1 ) GO TO 716 IF (IYHI.GT.NSY) IYHI=NSY DO 715 IY=IYLO,IYHI DO 715 IX=IXLO,IXHI MOUNT(IX,IY) = MOUNT(IX,IY) + 1 715 CONTINUE 716 CONTINUE ENDIF c c 20-Aug-98 duplicate any transparent flat-ended cylinders so that c the inside surface can be rendered also. BUF() is still loaded c with specs for the current object; we just need to set flags. IF ( iand(FLAG(N),TRANSP).NE.0 .AND. iand(FLAG(N),FLAT).NE.0 & .AND. iand(FLAG(N),INSIDE).EQ.0) THEN FLAG(N+1) = FLAT + INSIDE NINSIDE = NINSIDE + 1 GOTO 9 ENDIF * ELSEIF (INTYPE.EQ.NORMS) THEN * vertex normals as given (these belong to previous triangle) IF (JUSTCLIPPED) GOTO 46 IPREV = N - 1 IF ((TYPE(IPREV).EQ.VERTEXRGB).OR.(TYPE(IPREV).EQ.VERTRANSP)) & IPREV = IPREV - 1 IF ((TYPE(IPREV).EQ.VERTEXRGB).OR.(TYPE(IPREV).EQ.VERTRANSP)) & IPREV = IPREV - 1 CALL ASSERT (TYPE(IPREV).EQ.TRIANG,'orphan normals') * Isolated objects not transformed by TMAT, but still subject to inversion IF (ISOLATION.GT.0) THEN X1C = BUF(1) Y1C = BUF(2) Z1C = BUF(3) X2C = BUF(4) Y2C = BUF(5) Z2C = BUF(6) X3C = BUF(7) Y3C = BUF(8) Z3C = BUF(9) IF (INVERT) THEN Y1C = -Y1C Y2C = -Y2C Y3C = -Y3C ENDIF ELSE X1A = BUF(1) Y1A = BUF(2) Z1A = BUF(3) X2A = BUF(4) Y2A = BUF(5) Z2A = BUF(6) X3A = BUF(7) Y3A = BUF(8) Z3A = BUF(9) * Apply rotation matrix, but not translation components X1B = X1A*TMAT(1,1) + Y1A*TMAT(2,1) + Z1A*TMAT(3,1) Y1B = X1A*TMAT(1,2) + Y1A*TMAT(2,2) + Z1A*TMAT(3,2) Z1B = X1A*TMAT(1,3) + Y1A*TMAT(2,3) + Z1A*TMAT(3,3) X2B = X2A*TMAT(1,1) + Y2A*TMAT(2,1) + Z2A*TMAT(3,1) Y2B = X2A*TMAT(1,2) + Y2A*TMAT(2,2) + Z2A*TMAT(3,2) Z2B = X2A*TMAT(1,3) + Y2A*TMAT(2,3) + Z2A*TMAT(3,3) X3B = X3A*TMAT(1,1) + Y3A*TMAT(2,1) + Z3A*TMAT(3,1) Y3B = X3A*TMAT(1,2) + Y3A*TMAT(2,2) + Z3A*TMAT(3,2) Z3B = X3A*TMAT(1,3) + Y3A*TMAT(2,3) + Z3A*TMAT(3,3) * Also apply post-rotation, if any X1C = RAFTER(1,1)*X1B + RAFTER(1,2)*Y1B + RAFTER(1,3)*Z1B Y1C = RAFTER(2,1)*X1B + RAFTER(2,2)*Y1B + RAFTER(2,3)*Z1B Z1C = RAFTER(3,1)*X1B + RAFTER(3,2)*Y1B + RAFTER(3,3)*Z1B X2C = RAFTER(1,1)*X2B + RAFTER(1,2)*Y2B + RAFTER(1,3)*Z2B Y2C = RAFTER(2,1)*X2B + RAFTER(2,2)*Y2B + RAFTER(2,3)*Z2B Z2C = RAFTER(3,1)*X2B + RAFTER(3,2)*Y2B + RAFTER(3,3)*Z2B X3C = RAFTER(1,1)*X3B + RAFTER(1,2)*Y3B + RAFTER(1,3)*Z3B Y3C = RAFTER(2,1)*X3B + RAFTER(2,2)*Y3B + RAFTER(2,3)*Z3B Z3C = RAFTER(3,1)*X3B + RAFTER(3,2)*Y3B + RAFTER(3,3)*Z3B ENDIF C C If all three Z components are negative, it's facing away from us. C Old default treatment was to assume the normals were screwed up. C V2.6: default appropriate cases (e.g. opaque triangles with no C associated bounding planes) to hidden by assumption and C thus not needing to be rendered. Mark as HIDDEN. C Default treatment is overridden by CLROPT in material spec C IF (Z1C.GE.0 .AND. Z2C.GE.0 .AND. Z3C.GE.0) GOTO 718 IF (Z1C.LT.-.01 .AND. Z2C.LT.-.01 .AND. Z3C.LT.-.01) THEN IF (CLROPT.EQ.2) THEN NINSIDE = NINSIDE + 1 FLAG(IPREV) = ior( FLAG(IPREV), INSIDE ) ELSE IF ((iand(FLAG(IPREV),BOUNDED).EQ.0) & .AND.(CLRITY.EQ.0 .OR. CLROPT.EQ.1)) THEN NHIDDEN = NHIDDEN + 1 FLAG(IPREV) = ior( FLAG(IPREV), HIDDEN ) ELSE NINSIDE = NINSIDE + 1 FLAG(IPREV) = ior( FLAG(IPREV), INSIDE ) ENDIF GOTO 718 ENDIF C C Mixed + and - Z means the triangle "wrapped around" the edge. C For solid objects the best we can do is pretend the edge is right here. C For transparent objects or 2-sided surfaces we need to invert the C normals also. The value of EDGESLOP is purely empirical; setting it C either too low or too high makes some edges get coloured wrongly. C Setting the HIDDEN flag for this record (NB: for the NORMALS, not for C the triangle itself) causes the triangle to have flat shading. IF (Z1C+Z2C+Z3C .LT. 0) THEN IF (Z1C .GT. EDGESLOP) FLAG(N) = HIDDEN IF (Z2C .GT. EDGESLOP) FLAG(N) = HIDDEN IF (Z3C .GT. EDGESLOP) FLAG(N) = HIDDEN Z1C = MIN(Z1C,0.) Z2C = MIN(Z2C,0.) Z3C = MIN(Z3C,0.) ELSE IF (Z1C .LT. -EDGESLOP) FLAG(N) = HIDDEN IF (Z2C .LT. -EDGESLOP) FLAG(N) = HIDDEN IF (Z3C .LT. -EDGESLOP) FLAG(N) = HIDDEN Z1C = MAX(Z1C,0.) Z2C = MAX(Z2C,0.) Z3C = MAX(Z3C,0.) ENDIF C 718 CONTINUE DETAIL(NDET+1) = X1C DETAIL(NDET+2) = Y1C DETAIL(NDET+3) = Z1C DETAIL(NDET+4) = X2C DETAIL(NDET+5) = Y2C DETAIL(NDET+6) = Z2C DETAIL(NDET+7) = X3C DETAIL(NDET+8) = Y3C DETAIL(NDET+9) = Z3C NDET = NDET + KDET(INTYPE) IF (SHADOW) THEN MDET = MDET + SDET(INTYPE) ENDIF * * Allow specification of RGB triple for each vertex of preceding * triangle or cylinder. Overrides base RGB. * Also overrides MATERIAL RGB, which is arguably a bug. * ELSEIF (INTYPE .EQ. VERTEXRGB) THEN IF (JUSTCLIPPED) GOTO 46 CALL CHKRGB(BUF(1),BUF(2),BUF(3),'invalid vertex color') CALL CHKRGB(BUF(4),BUF(5),BUF(6),'invalid vertex color') CALL CHKRGB(BUF(7),BUF(8),BUF(9),'invalid vertex color') IPREV = N - 1 IF ((TYPE(IPREV).EQ.NORMS).OR.(TYPE(IPREV).EQ.VERTRANSP)) & IPREV = IPREV - 1 IF ((TYPE(IPREV).EQ.NORMS).OR.(TYPE(IPREV).EQ.VERTRANSP)) & IPREV = IPREV - 1 c we should only see a SPHERE is if it's a collapsed cylinder IF (TYPE(IPREV).EQ.SPHERE) THEN K = LIST(IPREV) DETAIL(K+5) = BUF(1) DETAIL(K+6) = BUF(2) DETAIL(K+7) = BUF(3) GOTO 7 ENDIF CALL ASSERT (TYPE(IPREV).EQ.TRIANG .OR. TYPE(IPREV).EQ.CYLIND, & 'orphan vertex colours') FLAG(IPREV) = ior( FLAG(IPREV), VCOLS ) DETAIL(NDET+1) = BUF(1) DETAIL(NDET+2) = BUF(2) DETAIL(NDET+3) = BUF(3) DETAIL(NDET+4) = BUF(4) DETAIL(NDET+5) = BUF(5) DETAIL(NDET+6) = BUF(6) DETAIL(NDET+7) = BUF(7) DETAIL(NDET+8) = BUF(8) DETAIL(NDET+9) = BUF(9) NDET = NDET + KDET(INTYPE) IF (SHADOW) THEN MDET = MDET + SDET(INTYPE) ENDIF * * EAM - 30-Dec-1999 * Allow specification of transparency at each vertex of preceding * triangle or cylinder. Overrides any MATERIAL properties. * ELSEIF (INTYPE .EQ. VERTRANSP) THEN IF (JUSTCLIPPED) GOTO 46 IPREV = N - 1 IF (TYPE(IPREV).EQ.NORMS .OR. TYPE(IPREV).EQ.VERTEXRGB) & IPREV = IPREV - 1 IF (TYPE(IPREV).EQ.NORMS .OR. TYPE(IPREV).EQ.VERTEXRGB) & IPREV = IPREV - 1 CALL ASSERT (TYPE(IPREV).EQ.TRIANG .OR. TYPE(IPREV).EQ.CYLIND & .OR.TYPE(IPREV).EQ.SPHERE, & 'orphan vertex transparency') NVTRANS = NVTRANS + 1 IF (iand(FLAG(IPREV),TRANSP).EQ.0) NTRANSP = NTRANSP + 1 FLAG(IPREV) = ior( FLAG(IPREV), TRANSP ) FLAG(IPREV) = ior( FLAG(IPREV), VTRANS ) DETAIL(NDET+1) = BUF(1) DETAIL(NDET+2) = BUF(2) DETAIL(NDET+3) = BUF(3) NDET = NDET + KDET(INTYPE) IF (SHADOW) THEN MDET = MDET + SDET(INTYPE) ENDIF * * Material properties are saved after enforcing legality * ELSEIF (INTYPE .EQ. MATERIAL) THEN * Mark this object as current material MSTATE = MATERIAL NPROPM = NPROPM + 1 * * Expand arrays MLIST, MPARITY IF ( NPROPM .GT. SIZE(MPARITY) ) THEN CALL GET_TRY(SIZE(MPARITY), NPROPM, TRY1, 1) DO 940 ITRY = 1,3 if (TRY1(ITRY).LE.0.OR.TRY1(ITRY).GT.MAXMEM) GOTO 940 ALLOCATE( TMP1D(TRY1(ITRY)), stat=ierr ) if (ierr .NE. 0) GOTO 940 TMP1D = 0 TMP1D = MLIST CALL MOVE_ALLOC(from=TMP1D, to=MLIST) ALLOCATE( TMP1D(TRY1(ITRY)), stat=ierr ) if (ierr .NE. 0) GOTO 940 TMP1D = 0 TMP1D = MPARITY CALL MOVE_ALLOC(from=TMP1D, to=MPARITY) if(TEST_ALLOC)write(NOISE,*)"Expand MAXMAT to ", & try1(ITRY) GOTO 942 940 CONTINUE ENDIF 942 CALL ASSERT(NPROPM.LE.SIZE(MPARITY), & 'too many materials - increase MAXMAT and recompile') MLIST(NPROPM) = N * Clear any previous material properties FLAG(N) = NPROPM*65536 MATCOL = .FALSE. CLIPPING = .FALSE. NBOUNDS = 0 ORTEPLIKE= .FALSE. BPRGB(1) = -1 * Phong power defaults to value in header IF (BUF(1).LT.0) BUF(1) = IPHONG DETAIL(NDET+1) = BUF(1) * Specular reflection component defaults to value in header IF (BUF(2).LT.0 .OR. BUF(2).GT.1) BUF(2) = SPECLR DETAIL(NDET+2) = BUF(2) * Negative values for specular highlighting indicate default to object CALL ASSERT (BUF(3).LE.1., 'red > 1 in material') CALL ASSERT (BUF(4).LE.1., 'grn > 1 in material') CALL ASSERT (BUF(5).LE.1., 'blu > 1 in material') DETAIL(NDET+3) = BUF(3) DETAIL(NDET+4) = BUF(4) DETAIL(NDET+5) = BUF(5) CLRITY = BUF(6) CALL ASSERT (CLRITY.GE.0., 'clarity < 0 in material') CALL ASSERT (CLRITY.LE.1., 'clarity > 1 in material') DETAIL(NDET+6) = CLRITY * Transparency processing is necessarily a compromise, and several * possible approximations may be useful; allow a choice among them CLROPT = BUF(7) DETAIL(NDET+7) = BUF(7) * The next one is used in conjunction with bounding planes * Dec 2010: no, it's used to select which transparency algorithm is used TRNSPOPT = BUF(8) DETAIL(NDET+8) = TRNSPOPT * One remaining field reserved for future expansion DETAIL(NDET+9) = BUF(9) * Initialize clipping planes, only used if CLIPPING is set below DETAIL(NDET+16) = FRONTCLIP DETAIL(NDET+17) = BACKCLIP * Additional properties may continue on extra lines IF (INT(BUF(10)).GT.0) THEN L = 1 DO I = 1,INT(BUF(10)) READ (INPUT,'(A)',END=50) LINE DO J = 132, 1, -1 IF (LINE(J:J).NE.' '.AND.LINE(J:J).NE.' ') L = J ENDDO IF (LINE(L:L+4).EQ.'SOLID') THEN MATCOL = .TRUE. READ (LINE(L+6:132),*,END=720) RGBMAT(1),RGBMAT(2),RGBMAT(3) ELSE IF (LINE(L:L+7).EQ.'BACKFACE') THEN FLAG(N) = ior(FLAG(N),INSIDE) READ (LINE(L+9:132),*,END=720) RED, GRN, BLU, PHONGM, SPECM MPHONG = PHONGM IF (PHONGM.LT.0) MPHONG = IPHONG IF (SPECM.LT.0.OR.SPECM.GT.1.) SPECM = SPECLR DETAIL(NDET+11) = RED DETAIL(NDET+12) = GRN DETAIL(NDET+13) = BLU DETAIL(NDET+14) = MPHONG DETAIL(NDET+15) = SPECM ELSE IF (LINE(L:L+8).EQ.'FRONTCLIP') THEN CLIPPING = .TRUE. ZCLIP = FRONTCLIP READ (LINE(L+10:132),*,END=720) ZCLIP ZCLIP = ZCLIP * SCALE / TMAT(4,4) DETAIL(NDET+16) = ZCLIP ELSE IF (LINE(L:L+7).EQ.'BACKCLIP') THEN CLIPPING = .TRUE. ZCLIP = BACKCLIP READ (LINE(L+9:132),*,END=720) ZCLIP ZCLIP = ZCLIP * SCALE / TMAT(4,4) DETAIL(NDET+17) = ZCLIP ELSE IF (LINE(L:L+9).EQ.'ORTEP_LIKE') THEN ORTEPLIKE = .TRUE. ELSE IF (LINE(L:L+13).EQ.'BOUNDING_COLOR') THEN READ (LINE(L+15:132),*,END=720) BPRGB(1),BPRGB(2),BPRGB(3) CALL CHKRGB(BPRGB(1),BPRGB(2),BPRGB(3), & 'Invalid bounding color') ELSE IF (LINE(L:L+13).EQ.'BOUNDING_PLANE') THEN NBOUNDS = NBOUNDS + 1 nbplanes = nbplanes + 1 * * Expand arrays DETAIL and SDTAIL as needed NEEDMEM = MAX(N+NBOUNDS, NDET+NBOUNDS*KDET(INTERNAL)) if ( NEEDMEM .GT. SIZE(DETAIL) ) THEN CALL GET_TRY(SIZE(DETAIL), NEEDMEM, TRY1, 1) DO 950 ITRY = 1,3 IF (TRY1(ITRY) .LE. 0 .OR. TRY1(ITRY) .GT. MAXMEM) & GOTO 950 ALLOCATE( TMP1DR(TRY1(ITRY)), stat=ierr ) IF (IERR .NE. 0) GOTO 950 TMP1DR = 0. TMP1DR = DETAIL if(TEST_ALLOC)write(NOISE,*)"Expand DETAIL to ", & size(TMP1DR) CALL MOVE_ALLOC(from=TMP1DR, to=DETAIL) GOTO 952 950 CONTINUE ENDIF 952 CALL ASSERT(NEEDMEM.LE.SIZE(DETAIL), & 'BP Oops') IF (SHADOW) THEN NEEDMEM = MDET+NBOUNDS*SDET(INTERNAL) if ( NEEDMEM .GT. SIZE(DETAIL) ) THEN CALL GET_TRY(SIZE(DETAIL), NEEDMEM, TRY1, 1) DO 955 ITRY = 1,3 IF (TRY1(ITRY).LE.0.OR.TRY1(ITRY).GT.MAXMEM) & GOTO 955 ALLOCATE( TMP1DR(TRY1(ITRY)), stat=ierr ) IF (IERR .NE. 0) GOTO 955 TMP1DR = 0. TMP1DR = SDTAIL if(TEST_ALLOC)write(NOISE,*)"Expand SDTAIL to", & try1(ITRY) CALL MOVE_ALLOC(from=TMP1DR, to=SDTAIL) GOTO 957 955 CONTINUE ENDIF 957 CALL ASSERT(NEEDMEM .LE.SIZE(SDTAIL),'BP Oops') ENDIF NB = N + NBOUNDS CALL ASSERT( NB.LE.SIZE(DETAIL), 'BP Oops') c OK, we've established there's room to store this bound; c Flag all properties belonging to the parent material TYPE(NB) = INTERNAL FLAG(NB) = ior(FLAG(N),PROPS) IF(CLRITY.GT.0.0)THEN FLAG(NB) = ior(FLAG(NB),TRANSP) IF (CLROPT.EQ.1) FLAG(NB) = ior(FLAG(NB),MOPT1) ENDIF NBDET = KDET(MATERIAL) + (NBOUNDS-1)*KDET(INTERNAL) LIST(NB) = NDET + NBDET IF (SHADOW) THEN NBSDT = SDET(MATERIAL) + (NBOUNDS-1)*SDET(INTERNAL) MIST(NB) = MDET + NBSDT ENDIF c Read in details, transform, and save READ (LINE(L+15:132),*,END=720) BPTYPE,XB,YB,ZB,xn,yn,zn * Transform bounding plane along with objects CALL TRANSF(XB,YB,ZB) * Rotate but don't translate normal, including post-rotation xnb = xn*TMAT(1,1) + yn*TMAT(2,1) + zn*TMAT(3,1) ynb = xn*TMAT(1,2) + yn*TMAT(2,2) + zn*TMAT(3,2) znb = xn*TMAT(1,3) + yn*TMAT(2,3) + zn*TMAT(3,3) xn = RAFTER(1,1)*xnb + RAFTER(1,2)*ynb + RAFTER(1,3)*znb yn = RAFTER(2,1)*xnb + RAFTER(2,2)*ynb + RAFTER(2,3)*znb zn = RAFTER(3,1)*xnb + RAFTER(3,2)*ynb + RAFTER(3,3)*znb temp = sqrt(xn*xn + yn*yn + zn*zn) xn = xn/temp yn = yn/temp zn = zn/temp IF (ORTEPLIKE .AND. ZN.LT.0) THEN XN = -XN YN = -YN ZN = -ZN ENDIF * Save data in same arrays as for regular objects * ISUBTYPE currently only used to flag ORTEP_LIKE ellipsoids * BPTYPE is loaded on input but not currently used for anything ISUBTYPE = -1 IF (ORTEPLIKE) ISUBTYPE = ORTEP DETAIL(NDET + NBDET + 1) = ISUBTYPE DETAIL(NDET + NBDET + 2) = BPTYPE DETAIL(NDET + NBDET + 3) = XB * SCALE + XCENT DETAIL(NDET + NBDET + 4) = YB * SCALE + YCENT DETAIL(NDET + NBDET + 5) = ZB * SCALE DETAIL(NDET + NBDET + 6) = XN DETAIL(NDET + NBDET + 7) = YN DETAIL(NDET + NBDET + 8) = ZN c Most of the time BPRGB(1) is -1 to signal no special color DETAIL(NDET + NBDET + 9) = BPRGB(1) DETAIL(NDET + NBDET + 10) = BPRGB(2) DETAIL(NDET + NBDET + 11) = BPRGB(3) IF (SHADOW) THEN XR = SROT(1,1)*XB+SROT(1,2)*YB+SROT(1,3)*ZB YR = SROT(2,1)*XB+SROT(2,2)*YB+SROT(2,3)*ZB ZR = SROT(3,1)*XB+SROT(3,2)*YB+SROT(3,3)*ZB BPNORM(1) = SROT(1,1)*XN+SROT(1,2)*YN+SROT(1,3)*ZN BPNORM(2) = SROT(2,1)*XN+SROT(2,2)*YN+SROT(2,3)*ZN BPNORM(3) = SROT(3,1)*XN+SROT(3,2)*YN+SROT(3,3)*ZN SDTAIL(MDET + NBSDT + 1) = ISUBTYPE SDTAIL(MDET + NBSDT + 2) = BPTYPE SDTAIL(MDET + NBSDT + 3) = XR * SCALE + SXCENT SDTAIL(MDET + NBSDT + 4) = YR * SCALE + SYCENT SDTAIL(MDET + NBSDT + 5) = ZR * SCALE SDTAIL(MDET + NBSDT + 6) = BPNORM(1) SDTAIL(MDET + NBSDT + 7) = BPNORM(2) SDTAIL(MDET + NBSDT + 8) = BPNORM(3) ENDIF ELSE IF (LINE(L:L+6).EQ.'BUMPMAP') THEN WRITE(NOISE,*) '>> Sorry, no bumpmaps (dont you wish!)' ELSE GOTO 720 ENDIF GOTO 721 720 WRITE(NOISE,'(A,A)') & '>> Unrecognized or incomplete MATERIAL option ',LINE 721 CONTINUE ENDDO ENDIF * Update array pointers for material object itself DETAIL(NDET+18) = NBOUNDS NDET = NDET + KDET(INTYPE) IF (SHADOW) MDET = MDET + SDET(INTYPE) * Update array pointers to allow for bounding planes and any other * objects inserted by MATERIAL processing NDET = NDET + NBOUNDS*IDET(INTERNAL) IF (SHADOW) MDET = MDET + NBOUNDS*KDET(INTERNAL) N = N + NBOUNDS * ELSEIF (INTYPE.EQ.GLOWLIGHT) THEN NGLOWS = NGLOWS + 1 * * Expand array GLOWLIST IF ( NGLOWS .GT. SIZE(GLOWLIST) ) THEN CALL GET_TRY(SIZE(GLOWLIST), NGLOWS, TRY1, 1) DO 960 ITRY = 1,3 if (TRY1(ITRY).LE.0.OR.TRY1(ITRY).GT.MAXMEM) GOTO 960 ALLOCATE( TMP1D(TRY1(ITRY)), stat=ierr ) if (ierr .NE. 0) GOTO 960 TMP1D = GLOWLIST CALL MOVE_ALLOC(from=TMP1D, to=GLOWLIST) if(TEST_ALLOC)write(NOISE,*)"Expand GLOWLIST to ", & try1(ITRY) GOTO 962 960 CONTINUE ENDIF 962 CALL ASSERT(NGLOWS.LE.SIZE(GLOWLIST),'too many glow lights') GLOWLIST(NGLOWS) = N GLOWSRC(1) = BUF(1) GLOWSRC(2) = BUF(2) GLOWSRC(3) = BUF(3) GLOWRAD = BUF(4) GLOW = BUF(5) GOPT = BUF(6) GPHONG = BUF(7) RED = BUF(8) GRN = BUF(9) BLU = BUF(10) CALL ASSERT (GLOW.GE.0,'illegal glow value') CALL ASSERT (GLOW.LE.1,'illegal glow value') IF (GLOW.GT.GLOWMAX) GLOWMAX = GLOW CALL CHKRGB (RED,GRN,BLU,'invalid glow light color') * Isolated objects not transformed by TMAT, but still subject to inversion IF (ISOLATION.GT.0) THEN CALL ISOLATE(GLOWSRC(1),GLOWSRC(2)) ELSE * transform coordinates and radius of glow source CALL TRANSF(GLOWSRC(1),GLOWSRC(2),GLOWSRC(3)) GLOWRAD = GLOWRAD / TMAT(4,4) ENDIF IF (EYEPOS.GT.0) PFAC = PERSP( GLOWSRC(3) ) * save for rendering DETAIL(NDET+1) = GLOWSRC(1) * PFAC * SCALE + XCENT DETAIL(NDET+2) = GLOWSRC(2) * PFAC * SCALE + YCENT DETAIL(NDET+3) = GLOWSRC(3) * PFAC * SCALE DETAIL(NDET+4) = GLOWRAD * PFAC * SCALE DETAIL(NDET+5) = GLOW DETAIL(NDET+6) = GOPT DETAIL(NDET+7) = GPHONG DETAIL(NDET+8) = RED DETAIL(NDET+9) = GRN DETAIL(NDET+10) = BLU NDET = NDET + KDET(INTYPE) IF (SHADOW) THEN MDET = MDET + SDET(INTYPE) ENDIF ELSEIF (INTYPE.EQ.QUADRIC) THEN NQUADS = NQUADS + 1 IF (MSTATE.EQ.MATERIAL) THEN FLAG(N) = ior(FLAG(N),PROPS) NPROPS = NPROPS + 1 IF (CLRITY.GT.0) THEN FLAG(N) = ior(FLAG(N),TRANSP) IF (CLROPT.EQ.1) FLAG(N) = ior(FLAG(N),MOPT1) NTRANSP = NTRANSP + 1 ISTRANS = 1 ENDIF IF (CLIPPING) THEN FLAG(N) = ior(FLAG(N),CLIPPED) ENDIF IF (NBOUNDS.GT.0) FLAG(N) = ior(FLAG(N),BOUNDED) IF (MATCOL) THEN BUF(5) = RGBMAT(1) BUF(6) = RGBMAT(2) BUF(7) = RGBMAT(3) ENDIF ENDIF * ISQUAD = QINP( BUF(1), DETAIL(NDET+1), SHADOW, SDTAIL(MDET+1) ) * IF (.NOT. ISQUAD) GOTO 45 NDET = NDET + KDET(INTYPE) IF (SHADOW) THEN MDET = MDET + SDET(INTYPE) ENDIF C C New object types go here! C ELSEIF (INTYPE.EQ.INTERNAL) THEN CALL ASSERT(.FALSE.,'object type 4 not available') ELSE CALL ASSERT(.FALSE.,'crash 50') ENDIF GO TO 7 c c here to discard object due to clipping planes c 45 CONTINUE NCLIP = NCLIP + 1 46 FLAG(N) = 0 N = N - 1 GO TO 7 c c 26-Aug-1999 attempt error recovery and reporting c if input line is not recognized 47 continue write (noise,'(A,A)') 'Unrecognized line: ',LINE goto 7 * * here for end of objects * 50 CONTINUE IF (INPUT.GT.INPUT0) THEN IF (VERBOSE) WRITE (NOISE,*) ' - closing indirect input file' CLOSE(INPUT) INPUT = INPUT - 1 GOTO 7 ENDIF * * help people re-center objects * XA = (TRULIM(1,1) + TRULIM(1,2)) / 2.0 YA = (TRULIM(2,1) + TRULIM(2,2)) / 2.0 ZA = (TRULIM(3,1) + TRULIM(3,2)) / 2.0 CALL TRANSF( XA, YA, ZA ) XA = TMAT(4,1) - XA * TMAT(4,4) YA = TMAT(4,2) - YA * TMAT(4,4) ZA = TMAT(4,3) - ZA * TMAT(4,4) IF (INVERT) YA = -YA WRITE (NOISE,*) 'To center objects in rendered scene, ', & 'change translation to:' WRITE (NOISE,'(3F10.4)') XA, YA, ZA * * Now we can set depth-cueing WRITE (LINE,577) 'Z limits (unscaled) before clipping:', & ZLIM(1)*TMAT(4,4)/SCALE,ZLIM(2)*TMAT(4,4)/SCALE WRITE (NOISE,*) LINE(2:57) WRITE (LINE,577) 'Z-clipping limits: ', & BACKCLIP*TMAT(4,4)/SCALE IF (FRONTCLIP.EQ.HUGE) THEN WRITE (LINE(48:57),'(A10)') ' none' ELSE WRITE (LINE(48:57),'(F10.2)') FRONTCLIP*TMAT(4,4)/SCALE ENDIF WRITE (NOISE,*) LINE(2:57) IF (VERBOSE) WRITE (NOISE,*) 'Scale: ', SCALE IF (VERBOSE.AND.GAMMACORRECTION) WRITE (NOISE,*) 'Gamma: ', Gamma IF (FOGTYPE .GE. 0) THEN IF (FOGBACK .EQ. 0) THEN FOGLIM(1) = ZLIM(1) ELSE FOGLIM(1) = FOGBACK * BACKCLIP ENDIF IF (FOGFRONT .EQ. 0) THEN FOGLIM(2) = ZLIM(2) ELSE IF (FRONTCLIP .LT. HUGE) THEN FOGLIM(2) = FOGFRONT * FRONTCLIP ELSE FOGLIM(2) = FOGFRONT * SCALE ENDIF IF (FOGTYPE.EQ.1) THEN WRITE(LINE,577) 'Fog (exponential) limits, density:' ELSE WRITE(LINE,577) 'Fog (linear) limits, density: ' ENDIF WRITE (LINE(38:67),578) & FOGLIM(1)*TMAT(4,4)/SCALE,FOGLIM(2)*TMAT(4,4)/SCALE,FOGDEN WRITE (NOISE,*) LINE(2:67) ENDIF 577 FORMAT(1X,A,2F10.2) 578 FORMAT(2F10.2,F10.2) * * Check list for special objects * Triangle types first (vanilla/ribbon/surface) NRIB = 0 NSUR = 0 NTRI = 0 DO 55 I = 1, N-1 IF (TYPE(I).EQ.TRIANG) THEN NTRI = NTRI + 1 * Allow IPHONG=0 to disable special processing of triangles IF (IPHONG.EQ.0) GOTO 54 * Check for surface triangle (explicit normals in next record) CDEBUG "I+1" should be replaced by INEXT processing IF (TYPE(I+1).EQ.NORMS.AND.iand(FLAG(I+1),HIDDEN).EQ.0) THEN FLAG(I) = ior( FLAG(I), SURFACE ) GOTO 54 END IF IF (I.EQ.1) GOTO 54 * Check for ribbon triangles, * can't possibly be one unless surrounded by other triangles IPREV = I - 1 INEXT = I + 1 IF (TYPE(IPREV).NE.TRIANG .OR. TYPE(INEXT).NE.TRIANG) THEN FLAG(I) = iand( FLAG(I), NOT(RIBBON) ) GOTO 54 END IF * trailing vertex must match one in previous triangle J = LIST(IPREV) K = LIST(I) L = LIST(INEXT) DO II = 1, 3 KK = K+II if ( abs(detail(kk)-detail(j+ii+3)).gt.RIBBONSLOP & .and. abs(detail(kk)-detail(j+ii+6)).gt.RIBBONSLOP) goto 54 C IF (DETAIL(KK).NE.DETAIL(J+II+3) C & .AND. DETAIL(KK).NE.DETAIL(J+II+6)) GOTO 54 END DO * leading vertex must match one in following triangle DO II = 7, 9 KK = K+II IF (abs(DETAIL(KK)-DETAIL(L+II-3)).gt.RIBBONSLOP & .AND. abs(DETAIL(KK)-DETAIL(L+II-6)).gt.RIBBONSLOP) GOTO 54 C IF (DETAIL(KK).NE.DETAIL(L+II-3) C & .AND. DETAIL(KK).NE.DETAIL(L+II-6)) GOTO 54 END DO FLAG(I) = ior(FLAG(I),RIBBON) 54 CONTINUE IF (iand(FLAG(I),RIBBON).NE.0) NRIB = NRIB + 1 IF (iand(FLAG(I),SURFACE).NE.0) NSUR = NSUR + 1 END IF 55 CONTINUE IF (TYPE(N).EQ.TRIANG) NTRI = NTRI + 1 56 CONTINUE * Set GLOW to maximum requested by glow light sources and bump up * ambient contribution to compensate for darkening applied later AMBIEN = AMBIEN * (1. + GLOWMAX) * WRITE(NOISE,*)'-------------------------------' IF (NSPHERE.NE.0) WRITE(NOISE,57) 'spheres =',NSPHERE IF (NCYLIND.NE.0) WRITE(NOISE,57) 'cylinders =',NCYLIND NTRI = NTRI - (NRIB + NSUR) IF (NPLANES.NE.0) WRITE(NOISE,57) 'planes =',NPLANES IF (NTRI.NE.0) WRITE(NOISE,57) 'plain triangles =',NTRI IF (NRIB.NE.0) WRITE(NOISE,57) 'ribbon triangles =',NRIB IF (NSUR.NE.0) WRITE(NOISE,57) 'surface triangles =',NSUR IF (NQUADS.NE.0) WRITE(NOISE,57) 'quadric surfaces =',NQUADS IF (NPROPM.NE.0) WRITE(NOISE,57) 'special materials =',NPROPM IF (NCLIP.NE.0) WRITE(NOISE,57) 'Z-clipped objects =',NCLIP IF (NTRANSP.NE.0) WRITE(NOISE,57) 'transparent objs =',NTRANSP IF (NHIDDEN.NE.0) WRITE(NOISE,57) 'hidden surfaces =',NHIDDEN IF (NINSIDE.NE.0) WRITE(NOISE,57) 'inside surfaces =',NINSIDE IF (nbplanes.NE.0) WRITE(NOISE,57)'bounding planes =',nbplanes WRITE(NOISE,57) 'total objects =',N WRITE(NOISE,*)'-------------------------------' IF (NGLOWS.GT.0) WRITE(NOISE,57) 'glow lights =',NGLOWS IF (LFLAG) THEN CALL LCLOSE( NLABELS ) WRITE(NOISE,57) 'labels =',NLABELS WRITE(NOISE,*)'-------------------------------' ELSEIF (NLABELS.NE.0) THEN WRITE(NOISE,57) 'labels (ignored) =',NLABELS WRITE(NOISE,*)'-------------------------------' ENDIF 57 FORMAT(2X,A,I8) * ZSLOP = SLOP * MAX(NPX,NPY) IF (VERBOSE) THEN WRITE (NOISE,*) 'ndet =',NDET,' SIZE(DETAIL)=',SIZE(DETAIL) IF (SHADOW) WRITE (NOISE,*) 'mdet =',MDET,' MAXSDT=', & SIZE(SDTAIL) WRITE (NOISE,*) 'EDGESLOP =',EDGESLOP WRITE (NOISE,*) ' ZSLOP =', ZSLOP ENDIF * * * Sort objects, fill in "short lists" as indices into main list * (note that it would lend itself better to "parallel * processing" to form the short lists first and then * sort each one - maybe even slightly more efficient in * the present context!) DO 60 I = 1, N K = LIST(I) CALL ASSERT (K.GE.0,'k<0') CALL ASSERT (K.LT.NDET,'k>=ndet') IF (TYPE(I).EQ.TRIANG) THEN Z1 = DETAIL(K+3) Z2 = DETAIL(K+6) Z3 = DETAIL(K+9) ZTEMP(I) = MAX(Z1,Z2,Z3) ELSEIF (TYPE(I).EQ.SPHERE) THEN Z = DETAIL(K+3) R = DETAIL(K+4) ZTEMP(I) = Z + R ELSEIF (TYPE(I).EQ.CYLIND) THEN * EAM May 1990 Z1 = DETAIL(K+3) Z2 = DETAIL(K+7) R1 = DETAIL(K+4) R2 = DETAIL(K+8) ZTEMP(I) = MAX(Z1+R1,Z2+R2) ELSEIF (TYPE(I).EQ.PLANE & .OR. TYPE(I).EQ.NORMS & .OR. TYPE(I).EQ.MATERIAL & .OR. TYPE(I).EQ.VERTRANSP & .OR. TYPE(I).EQ.VERTEXRGB & .OR. TYPE(I).EQ.GLOWLIGHT & .OR. TYPE(I).EQ.INTERNAL) THEN * EAM Mar 1994 (not sure this is necessary) ZTEMP(I) = SCALE + 1.0 ELSEIF (TYPE(I).EQ.QUADRIC) THEN Z = DETAIL(K+3) R = DETAIL(K+4) ZTEMP(I) = Z + R ELSE CALL ASSERT(.FALSE.,'crash 60') ENDIF 60 CONTINUE CALL HSORTD (N, ZTEMP, ZINDEX) KNTTOT = 0 KNTMAX = 0 DO J = 1, NTY DO I = 1, NTX KNTTOT = KNTTOT + KOUNT(I,J) IF (KOUNT(I,J).GT.KNTMAX) KNTMAX = KOUNT(I,J) ENDDO ENDDO IF (VERBOSE) THEN write (noise,*) 'max/avg length of short lists=', & kntmax,(knttot/(ntx*nty))+1 WRITE (NOISE,*) 'knttot=',KNTTOT,' MAXSHR=',SIZE(KSHORT) ENDIF * * Expand array KSHORT IF ( KNTTOT .GT. SIZE(KSHORT) ) THEN CALL GET_TRY(SIZE(KSHORT), KNTTOT, TRY1, 1) DO 970 ITRY = 1,3 if (TRY1(ITRY).LE.0.OR.TRY1(ITRY).GT.MAXMEM) GOTO 970 ALLOCATE( TMP1D(TRY1(ITRY)), stat=ierr ) if (ierr .NE. 0) GOTO 970 TMP1D = KSHORT CALL MOVE_ALLOC(from=TMP1D, to=KSHORT) if(TEST_ALLOC)write(NOISE,*)"Expand KSHORT to ",try1(ITRY) GOTO 972 970 CONTINUE ENDIF 972 CALL ASSERT (KNTTOT.LE.SIZE(KSHORT),'short list overflow') K = 0 DO J = 1, NTY DO I = 1, NTX KSTART(I,J) = K+1 KSTOP(I,J) = K K = K + KOUNT(I,J) ENDDO ENDDO C write(NOISE,*)"Set kstart and kstop ",NTX," x ",NTY CALL ASSERT (K.EQ.KNTTOT,'k.ne.knttot') DO 90 I = 1, N IND = ZINDEX(N-I+1) CALL ASSERT (IND.GE.1,'ind<1') CALL ASSERT (IND.LE.N,'ind>n') K = LIST(IND) CALL ASSERT (K.GE.0,'k<0') CALL ASSERT (K.LT.NDET,'k>=ndet') * impingement tests here must be same as above IF (TYPE(IND).EQ.TRIANG) THEN X1 = DETAIL(K+1) Y1 = DETAIL(K+2) Z1 = DETAIL(K+3) X2 = DETAIL(K+4) Y2 = DETAIL(K+5) Z2 = DETAIL(K+6) X3 = DETAIL(K+7) Y3 = DETAIL(K+8) Z3 = DETAIL(K+9) IXLO = MIN(X1,X2,X3)/NPX + 1 IXHI = MAX(X1,X2,X3)/NPX + 1 IYLO = MIN(Y1,Y2,Y3)/NPY + 1 IYHI = MAX(Y1,Y2,Y3)/NPY + 1 ELSEIF (TYPE(IND).EQ.SPHERE) THEN X = DETAIL(K+1) Y = DETAIL(K+2) Z = DETAIL(K+3) R = DETAIL(K+4) IXLO = (X-R)/NPX + 1 IXHI = (X+R)/NPX + 1 IYLO = (Y-R)/NPY + 1 IYHI = (Y+R)/NPY + 1 ELSEIF (TYPE(IND).EQ.CYLIND) THEN X1 = DETAIL(K+1) Y1 = DETAIL(K+2) Z1 = DETAIL(K+3) R1 = DETAIL(K+4) X2 = DETAIL(K+5) Y2 = DETAIL(K+6) Z2 = DETAIL(K+7) R2 = DETAIL(K+8) IXLO = MIN(X1-R1,X2-R2) / NPX + 1 IXHI = MAX(X1+R1,X2+R2) / NPX + 1 IYLO = MIN(Y1-R1,Y2-R2) / NPY + 1 IYHI = MAX(Y1+R1,Y2+R2) / NPY + 1 ELSEIF (TYPE(IND).EQ.PLANE) THEN IXLO = 1 IXHI = NTX IYLO = 1 IYHI = NTY ELSEIF (TYPE(IND).EQ.NORMS) THEN GOTO 81 ELSEIF (TYPE(IND).EQ.VERTEXRGB) THEN GOTO 81 ELSEIF (TYPE(IND).EQ.VERTRANSP) THEN GOTO 81 ELSEIF (TYPE(IND).EQ.MATERIAL) THEN GOTO 81 ELSEIF (TYPE(IND).EQ.GLOWLIGHT) THEN GOTO 81 ELSEIF (TYPE(IND).EQ.QUADRIC) THEN X = DETAIL(K+1) Y = DETAIL(K+2) Z = DETAIL(K+3) R = DETAIL(K+4) IXLO = (X-R)/NPX + 1 IXHI = (X+R)/NPX + 1 IYLO = (Y-R)/NPY + 1 IYHI = (Y+R)/NPY + 1 ELSEIF (TYPE(IND).EQ.INTERNAL) THEN GOTO 81 ELSE CALL ASSERT(.FALSE.,'crash 80') ENDIF IF (IXLO.LT.1 ) IXLO=1 IF (IXLO.GT.NTX) GO TO 81 IF (IXHI.LT.1 ) GO TO 81 IF (IXHI.GT.NTX) IXHI=NTX IF (IYLO.LT.1 ) IYLO=1 IF (IYLO.GT.NTY) GO TO 81 IF (IYHI.LT.1 ) GO TO 81 IF (IYHI.GT.NTY) IYHI=NTY DO 80 IY=IYLO,IYHI DO 80 IX=IXLO,IXHI KSTOP(IX,IY) = KSTOP(IX,IY) + 1 KSHORT(KSTOP(IX,IY)) = IND 80 CONTINUE C write(NOISE,*)"Incr kstop ",IXLO,"-",IXHI," x ",IYLO,"-",IYHI, C & kstart(IXLO,IYLO),kstop(IXLO,IYLO),kount(IXLO,IYLO) 81 CONTINUE 90 CONTINUE DO 95 J=1,NTY DO 95 I=1,NTX K1 = KSTART(I,J) K2 = KSTOP(I,J) K3 = KOUNT(I,J) if(K2-k1.ne.k3-1)then write(NOISE,*)"*** ERROR IN KOUNT,KSTART,KSTOP" write(NOISE,*)"I,J=",I,J," start,stop=",K1,K2," kount=",k3 write(NOISE,*)"NTX,Y ",NTX,NTY," kount=",size(kount,1)," x", & size(kount,2)," stop=",size(kstop,1),size(kstop,2) C write(NOISE,*)((kstart(III,JJJ),III=1,I),JJJ=1,J) C write(NOISE,*)((kstop(III,JJJ),III=1,I),JJJ=1,J) C write(NOISE,*)((kount(III,JJJ),III=1,I),JJJ=1,J) endif CALL ASSERT (K2-K1.EQ.K3-1,'k2-k1.ne.kount(i,j)-1') CALL ASSERT (K1.GE.1.AND.K1.LE.KNTTOT+1,'kstart(i,j)') CALL ASSERT (K2.GE.0.AND.K2.LE.KNTTOT,'kstop(i,j)') 95 CONTINUE * * Do the short list business for shadow space too if required IF (SHADOW) THEN DO 160 I = 1, N K = MIST(I) CALL ASSERT (K.GE.0,'k.lt.0') CALL ASSERT (K.LT.MDET,'k.ge.mdet') IF (TYPE(I).EQ.TRIANG) THEN Z1 = SDTAIL(K+3) Z2 = SDTAIL(K+6) Z3 = SDTAIL(K+9) ZTEMP(I) = MAX(Z1,Z2,Z3) ELSEIF (TYPE(I).EQ.SPHERE) THEN Z = SDTAIL(K+3) R = SDTAIL(K+4) ZTEMP(I) = Z + R ELSEIF (TYPE(I).EQ.CYLIND) THEN Z1 = SDTAIL(K+3) Z2 = SDTAIL(K+7) R1 = SDTAIL(K+4) R2 = SDTAIL(K+8) ZTEMP(I) = MAX(Z1+R1,Z2+R2) ELSEIF (TYPE(I).EQ.PLANE) THEN * no shadows for plane surface ELSEIF (TYPE(I).EQ.NORMS) THEN * and certainly not for normals ELSEIF (TYPE(I).EQ.VERTEXRGB) THEN ELSEIF (TYPE(I).EQ.VERTRANSP) THEN ELSEIF (TYPE(I).EQ.MATERIAL) THEN * or surface properties ELSEIF (TYPE(I).EQ.GLOWLIGHT) THEN * you want a shadow on a light source??? ELSEIF (TYPE(I).EQ.QUADRIC) THEN Z = SDTAIL(K+3) R = SDTAIL(K+4) ZTEMP(I) = Z + R ELSEIF (TYPE(I).EQ.INTERNAL) THEN ELSE CALL ASSERT(.FALSE.,'crash 160') ENDIF 160 CONTINUE CALL HSORTD (N, ZTEMP, ZINDEX) MNTTOT = 0 DO 170 J = 1, NSY DO 170 I = 1, NSX MNTTOT = MNTTOT + MOUNT(I,J) 170 CONTINUE IF (VERBOSE) WRITE (NOISE,*) 'mnttot=',MNTTOT,' MAXSSL=', & SIZE(MSHORT) * * Expand array MSHORT IF ( MNTTOT .GT. SIZE(MSHORT) ) THEN CALL GET_TRY(SIZE(MSHORT), MNTTOT, TRY1, 1) DO 975 ITRY = 1,3 if (TRY1(ITRY).LE.0.OR.TRY1(ITRY).GT.MAXMEM) GOTO 975 ALLOCATE( TMP1D(TRY1(ITRY)), stat=ierr ) if (ierr .NE. 0) GOTO 975 TMP1D = MSHORT CALL MOVE_ALLOC(from=TMP1D, to=MSHORT) if(TEST_ALLOC)write(NOISE,*)"Expand MSHORT to ",try1(ITRY) GOTO 977 975 CONTINUE ENDIF 977 CALL ASSERT (MNTTOT.LE.SIZE(MSHORT), & 'shadow short list overflow') K = 0 DO 175 J = 1, NSY DO 175 I = 1, NSX MSTART(I,J) = K+1 MSTOP(I,J) = K K = K + MOUNT(I,J) 175 CONTINUE CALL ASSERT (K.EQ.MNTTOT,'k.ne.mnttot') DO 190 I = 1, N IND = ZINDEX(N-I+1) CALL ASSERT (IND.GE.1,'ind.lt.1') CALL ASSERT (IND.LE.N,'ind.gt.n') K = MIST(IND) CALL ASSERT (K.GE.0,'k.lt.0') CALL ASSERT (K.LT.MDET,'k.ge.mdet') * impingement tests here must be same as above IF (TYPE(IND).EQ.TRIANG) THEN X1 = SDTAIL(K+1) Y1 = SDTAIL(K+2) Z1 = SDTAIL(K+3) X2 = SDTAIL(K+4) Y2 = SDTAIL(K+5) Z2 = SDTAIL(K+6) X3 = SDTAIL(K+7) Y3 = SDTAIL(K+8) Z3 = SDTAIL(K+9) IXLO = MIN(X1,X2,X3)/NPX + 1 IXHI = MAX(X1,X2,X3)/NPX + 1 IYLO = MIN(Y1,Y2,Y3)/NPY + 1 IYHI = MAX(Y1,Y2,Y3)/NPY + 1 ELSEIF (TYPE(IND).EQ.SPHERE) THEN X = SDTAIL(K+1) Y = SDTAIL(K+2) Z = SDTAIL(K+3) R = SDTAIL(K+4) IXLO = (X-R)/NPX + 1 IXHI = (X+R)/NPX + 1 IYLO = (Y-R)/NPY + 1 IYHI = (Y+R)/NPY + 1 ELSEIF (TYPE(IND).EQ.CYLIND) THEN X1 = SDTAIL(K+1) Y1 = SDTAIL(K+2) Z1 = SDTAIL(K+3) R1 = SDTAIL(K+4) X2 = SDTAIL(K+5) Y2 = SDTAIL(K+6) Z2 = SDTAIL(K+7) R2 = SDTAIL(K+8) IXLO = MIN(X1-R1,X2-R2) / NPX + 1 IXHI = MAX(X1+R1,X2+R2) / NPX + 1 IYLO = MIN(Y1-R1,Y2-R2) / NPY + 1 IYHI = MAX(Y1+R1,Y2+R2) / NPY + 1 ELSEIF (TYPE(IND).EQ.PLANE) THEN * no shadows for plane surface GOTO 181 ELSEIF (TYPE(IND).EQ.NORMS) THEN GOTO 181 ELSEIF (TYPE(IND).EQ.VERTEXRGB) THEN GOTO 181 ELSEIF (TYPE(IND).EQ.VERTRANSP) THEN GOTO 181 ELSEIF (TYPE(IND).EQ.MATERIAL) THEN GOTO 181 ELSEIF (TYPE(IND).EQ.GLOWLIGHT) THEN GOTO 181 ELSEIF (TYPE(IND).EQ.QUADRIC) THEN X = SDTAIL(K+1) Y = SDTAIL(K+2) Z = SDTAIL(K+3) R = SDTAIL(K+4) IXLO = (X-R)/NPX + 1 IXHI = (X+R)/NPX + 1 IYLO = (Y-R)/NPY + 1 IYHI = (Y+R)/NPY + 1 ELSEIF (TYPE(IND).EQ.INTERNAL) THEN GOTO 181 ELSE CALL ASSERT(.FALSE.,'crash 180') ENDIF IF (IXLO.LT.1 ) IXLO=1 IF (IXLO.GT.NSX) GO TO 181 IF (IXHI.LT.1 ) GO TO 181 IF (IXHI.GT.NSX) IXHI=NSX IF (IYLO.LT.1 ) IYLO=1 IF (IYLO.GT.NSY) GO TO 181 IF (IYHI.LT.1 ) GO TO 181 IF (IYHI.GT.NSY) IYHI=NSY DO 180 IY=IYLO,IYHI DO 180 IX=IXLO,IXHI MSTOP(IX,IY) = MSTOP(IX,IY) + 1 MSHORT(MSTOP(IX,IY)) = IND 180 CONTINUE 181 CONTINUE 190 CONTINUE DO 195 J=1,NSY DO 195 I=1,NSX K1 = MSTART(I,J) K2 = MSTOP(I,J) K3 = MOUNT(I,J) CALL ASSERT (K2-K1.EQ.K3-1,'k2-k1.ne.mount(i,j)-1') CALL ASSERT (K1.GE.1.AND.K1.LE.MNTTOT+1,'mstart(i,j)') CALL ASSERT (K2.GE.0.AND.K2.LE.MNTTOT,'mstop(i,j)') 195 CONTINUE ENDIF * * Paint the tiles one by one DO 600 JTILE = 1, NTY DO 500 ITILE = 1, NTX * bounds of this tile in pixel space XLO = (ITILE-1)*NPX XHI = ITILE*NPX YLO = (JTILE-1)*NPY YHI = JTILE*NPY * initialize tile to background colour DO 200 J = 1, NPY DO 200 I = 1, NPX DO 199 IC = 1, 3 TILE(IC,I,J) = BKGND(IC) 199 CONTINUE ACHAN(I,J) = 0.0 200 CONTINUE * test for no objects in tile IF (KOUNT(ITILE,JTILE).EQ.0) GO TO 400 NTRANSP = TTRANS(ITILE,JTILE) + nvtrans IJSTART = KSTART(ITILE,JTILE) IJSTOP = KSTOP(ITILE,JTILE) * process non-empty tile DO 300 J = 1, NPY DO 300 I = 1, NPX * location of the pixel in pixel space XP = XLO + 0.5 + (I-1) YP = YLO + 0.5 + (J-1) * starting value of "highest z so far" ZTOP = BACKCLIP * the index of the object that has it INDTOP = 0 * index of highest opaque object ZHIGH = ZTOP * and number of transparent objects above it INDEPTH = 0 C Clear parity counter for all BOUNDED materials IF (NBPLANES.GT.0) THEN DO M = 1, NPROPM MPARITY(M) = 0 ENDDO ENDIF * find the highest pixel, using the tile's sorted list C DO 240 IK = KSTART(ITILE,JTILE), KSTOP(ITILE,JTILE) DO 240 IK = IJSTART, IJSTOP IND = KSHORT(IK) K = LIST(IND) IFLAG = FLAG(IND) * skip if hidden surface IF (NHIDDEN.GT.0 .AND. iand(IFLAG,HIDDEN).NE.0) goto 240 * further tests depend on object type IF (TYPE(IND).EQ.TRIANG) THEN X1 = DETAIL(K+1) Y1 = DETAIL(K+2) Z1 = DETAIL(K+3) X2 = DETAIL(K+4) Y2 = DETAIL(K+5) Z2 = DETAIL(K+6) X3 = DETAIL(K+7) Y3 = DETAIL(K+8) Z3 = DETAIL(K+9) * cheap check for done pixel IF (Z1.LT.ZHIGH .AND. Z2.LT.ZHIGH .AND. Z3.LT.ZHIGH) & GOTO 250 A = DETAIL(K+10) B = DETAIL(K+11) C = DETAIL(K+12) D = DETAIL(K+13) * skip object if degenerate triangle IF (D.EQ.0) GO TO 240 * skip object if z not a new high ZP = A*XP + B*YP + C IF (ZP.LE.ZHIGH) GO TO 240 * Rigorous test to see if this point is interior to triangle * NOTE: when lots of triangles are present, the following 3 lines * account for the largest single chunk of rendering time (>10%)! S = (X2-X1)*(YP-Y1) - (Y2-Y1)*(XP-X1) T = (X3-X2)*(YP-Y2) - (Y3-Y2)*(XP-X2) U = (X1-X3)*(YP-Y3) - (Y1-Y3)*(XP-X3) IF ( (S.LT.0. .OR. T.LT.0. .OR. U.LT.0.) .AND. & (S.GT.0. .OR. T.GT.0. .OR. U.GT.0.) ) GO TO 240 * Z-clipped triangles are easy IF (iand(IFLAG,CLIPPED).NE.0) THEN MIND = LIST(MLIST(IFLAG/65536)) IF ( ZP.GT.DETAIL(MIND+16)) GOTO 240 IF ( ZP.LT.DETAIL(MIND+17)) GOTO 240 ENDIF * Use Phong shading for surface and ribbon triangles. IF (iand(IFLAG,SURFACE+VCOLS+VTRANS).NE.0) THEN V = (Y3-Y1)*(X2-X1) - (X3-X1)*(Y2-Y1) W = (XP-X1)*(Y3-Y1) - (YP-Y1)*(X3-X1) ALPHA = W / V BETA = S / V ENDIF IF (iand(IFLAG,VCOLS+VTRANS).NE.0) THEN DETAIL(14 + LIST(IND)) = ALPHA DETAIL(15 + LIST(IND)) = BETA ENDIF IF (iand(IFLAG,SURFACE).NE.0) THEN C CALL ASSERT(TYPE(IND+1).EQ.NORMS,'lost normals') A1 = DETAIL(1 + LIST(IND+1)) B1 = DETAIL(2 + LIST(IND+1)) C1 = DETAIL(3 + LIST(IND+1)) A2 = DETAIL(4 + LIST(IND+1)) B2 = DETAIL(5 + LIST(IND+1)) C2 = DETAIL(6 + LIST(IND+1)) A3 = DETAIL(7 + LIST(IND+1)) B3 = DETAIL(8 + LIST(IND+1)) C3 = DETAIL(9 + LIST(IND+1)) TEMPNORM(1) = A1 + ALPHA*(A2-A1) + BETA*(A3-A1) TEMPNORM(2) = B1 + ALPHA*(B2-B1) + BETA*(B3-B1) TEMPNORM(3) = C1 + ALPHA*(C2-C1) + BETA*(C3-C1) * For ribbon triangles we take this normal for "middle" vertex, * normal of previous triangle for "trailing" vertex normal, * normal of next triangle for "leading" vertex normal. * Then we use linear interpolation of vertex normals. ELSE IF (iand(IFLAG,RIBBON).NE.0) THEN IPREV = IND - 1 INEXT = IND + 1 C CALL ASSERT(TYPE(IPREV).EQ.TRIANG,'lost triangle') C CALL ASSERT(TYPE(INEXT).EQ.TRIANG,'lost triangle') V = (Y3-Y1)*(X2-X1) - (X3-X1)*(Y2-Y1) W = (XP-X1)*(Y3-Y1) - (YP-Y1)*(X3-X1) ALPHA = W / V BETA = S / V AT = DETAIL(10 + LIST(IPREV)) BT = DETAIL(11 + LIST(IPREV)) AL = DETAIL(10 + LIST(INEXT)) BL = DETAIL(11 + LIST(INEXT)) TEMPNORM(1) = -AT -ALPHA*(A-AT) -BETA*(AL-AT) TEMPNORM(2) = -BT -ALPHA*(B-BT) -BETA*(BL-BT) TEMPNORM(3) = 1. ELSE TEMPNORM(1) = -A TEMPNORM(2) = -B TEMPNORM(3) = 1. END IF * Check bounding planes. * This is different for triangles than for other shapes, as we assume * that each triangle is only a facet of a larger shape that is really * the 'object' being bounded. This means that rather than checking top * and bottom surfaces of the current object, we have to search for * them in other triangle/facets of the same bounded material. IF (iand(IFLAG,BOUNDED).NE.0) THEN MAT = IFLAG/65536 M = MLIST(MAT)+1 IF (.NOT.INBOUNDS( M, TYPE, LIST, DETAIL, & XP,YP,ZP,DX,DY,DZ,ZP, BPIND )) THEN GOTO 240 ENDIF c If this surface was above bounding plane, track parity MIND = LIST(MLIST(MAT)) IF (BPIND.NE.0) THEN IF (MPARITY(MAT).EQ.0) THEN MPARITY(MAT) = 1 IF (ZP.LE.ZHIGH) GO TO 240 TEMPNORM(1) = DX TEMPNORM(2) = DY TEMPNORM(3) = DZ CORTEP Very ugly code to force bounding plane colors to be used CORTEP but only if they are present. IF ( (BPIND.GT.0) & .AND.(DETAIL(LIST(BPIND)+9).GE.0.0)) & IND = BPIND ELSE MPARITY(MAT) = 0 IF (FLAG(INDTOP)/65536.EQ.MAT) THEN IF (iand(IFLAG,TRANSP).EQ.0) THEN INDTOP = 0 ZHIGH = BACKCLIP ZTOP = BACKCLIP INDEPTH= 0 ELSE IF (INDEPTH.LE.1) THEN INDTOP = 0 ZHIGH = BACKCLIP ZTOP = BACKCLIP INDEPTH= 0 ELSE INDEPTH = INDEPTH - 1 DO L = 1, INDEPTH INDLIST(L) = INDLIST(L+1) ZLIST(L) = ZLIST(L+1) NORMLIST(1,L) = NORMLIST(1,L+1) NORMLIST(2,L) = NORMLIST(2,L+1) NORMLIST(3,L) = NORMLIST(3,L+1) ENDDO ZTOP = ZLIST(1) ENDIF ENDIF GOTO 240 ENDIF ENDIF ENDIF * update values for object having highest z here yet * 19-Feb-2002 Must wait til here to set NORMAL NORMAL(1) = TEMPNORM(1) NORMAL(2) = TEMPNORM(2) NORMAL(3) = TEMPNORM(3) IF (NTRANSP.GT.0) THEN CALL RANK( IND, ZP, NORMAL, FLAG ) ELSE ZHIGH = ZP INDTOP = IND ENDIF ELSEIF (TYPE(IND).EQ.SPHERE) THEN X = DETAIL(K+1) Y = DETAIL(K+2) Z = DETAIL(K+3) R = DETAIL(K+4) * cheap check for done pixel IF (Z+R.LE.ZHIGH) GO TO 250 * skip object if point exterior DX = XP-X DY = YP-Y DX2 = DX**2 DY2 = DY**2 R2 = R**2 IF (DX2+DY2 .GE. R2) GO TO 240 * skip object if z not a new high DZ = SQRT(R2-(DX2+DY2)) C Triggered by CLROPT=2 IF (iand(IFLAG,TRANSP).NE.0 .AND. & iand(IFLAG,INSIDE).NE.0) DZ = -DZ ZP = Z+DZ IF (ZP.LE.ZHIGH) GO TO 240 * Check bounding planes. IF (iand(IFLAG,BOUNDED).NE.0) THEN ZBACK = Z-DZ M = MLIST(IFLAG/65536)+1 IF (.NOT.INBOUNDS( M, TYPE, LIST, DETAIL, & XP,YP,ZP,DX,DY,DZ,ZBACK, BPIND)) & GOTO 240 ENDIF * Z-clipped spheres aren't too bad IF (iand(IFLAG,CLIPPED).NE.0) THEN MIND = LIST(MLIST(IFLAG/65536)) IF (ZP.GT.DETAIL(MIND+16)) THEN ZP = Z-DZ IF (ZP.LE.ZHIGH) GOTO 240 IF (ZP.GT.DETAIL(MIND+16)) GOTO 240 DZ = -DZ ENDIF IF (ZP.LT.DETAIL(MIND+17)) GOTO 240 ENDIF * update values for object having highest z here yet NORMAL(1) = DX NORMAL(2) = DY NORMAL(3) = DZ IF (NTRANSP.GT.0) THEN CALL RANK( IND, ZP, NORMAL, FLAG ) ELSE ZHIGH = ZP INDTOP = IND ENDIF ELSEIF (TYPE(IND).EQ.CYLIND) THEN * EAM May 1990 X1 = DETAIL(K+1) Y1 = DETAIL(K+2) Z1 = DETAIL(K+3) R1 = DETAIL(K+4) X2 = DETAIL(K+5) Y2 = DETAIL(K+6) Z2 = DETAIL(K+7) R2 = R1 * EAM Mar 1993 with a better understanding of how this works * add truly cheap test for cylinder entirely below current ZTOP TEMP1 = MAX(Z1+R1,Z2+R2) IF (TEMP1 .LE. ZHIGH) GOTO 250 * 2nd (relatively cheap) test * is to check distance to cylinder axis in projection IF (X1.EQ.X2 .AND. Y1.EQ.Y2) THEN TEMP1 = 0.0 ELSE TEMP1 = ((XP-X1)*(Y2-Y1) - (YP-Y1)*(X2-X1))**2 & / ((X2-X1)*(X2-X1) + (Y2-Y1)*(Y2-Y1)) ENDIF IF (TEMP1 .GT. R1*R1) GOTO 240 * Now find Z coord in pixel space of point on surface of * cylinder with these X and Y coords (ZP) * Also get coords of closest point on cylinder axis (XYZA). ISCYL = CYLTEST( IFLAG, AXFRAC, & X1,Y1,Z1, X2,Y2,Z2, XP,YP,ZP, R1, XA,YA,ZA ) IF (.NOT.ISCYL) GO TO 240 * skip object if z not a new high IF (ZP.LE.ZHIGH) GO TO 240 DX = XP - XA DY = YP - YA DZ = ZP - ZA * Check bounding planes. Unfortunately we have to get the * back surface first which means dummying up a call to CYLTEST IF (iand(IFLAG,BOUNDED).NE.0) THEN ZBACK = ZP ISCYL = CYLTEST( ior(IFLAG,INSIDE+TRANSP), AXFRAC, & X1,Y1,Z1, X2,Y2,Z2, XP,YP,ZBACK, R1, XA,YA,ZA) M = MLIST(IFLAG/65536)+1 IF (.NOT.INBOUNDS( M, TYPE, LIST, DETAIL, & XP,YP,ZP,DX,DY,DZ,ZBACK, BPIND )) & GOTO 240 ENDIF * Z-clipped cylinders are messy IF (iand(IFLAG,CLIPPED).NE.0) THEN MIND = LIST(MLIST(IFLAG/65536)) IF (ZP.GT.DETAIL(MIND+16)) THEN ISCYL = CYLTEST( ior(IFLAG,INSIDE+TRANSP), AXFRAC, & X1,Y1,Z1, X2,Y2,Z2, XP,YP,ZP, R1, XA,YA,ZA ) IF (ZP.LE.ZHIGH) GOTO 240 IF (ZP.GT.DETAIL(MIND+16)) GOTO 240 ENDIF IF (ZP.LT.DETAIL(MIND+17)) GOTO 240 DX = XP - XA DY = YP - YA DZ = ZP - ZA ENDIF NORMAL(1) = DX NORMAL(2) = DY NORMAL(3) = DZ * if explicit vertex colors, need to keep fractional position IF (iand(IFLAG,ior(VCOLS,VTRANS)).NE.0) DETAIL(K+8) = AXFRAC * update values for object having highest z here yet IF (NTRANSP.GT.0) THEN CALL RANK( IND, ZP, NORMAL, FLAG ) ELSE ZHIGH = ZP INDTOP = IND ENDIF ELSEIF (TYPE(IND).EQ.PLANE) THEN A = DETAIL(K+1) B = DETAIL(K+2) C = DETAIL(K+3) D = DETAIL(K+4) IF (D.EQ.0) GOTO 240 ZP = A*XP + B*YP + C IF (ZP.LE.ZHIGH) GOTO 240 NORMAL(1) = -A NORMAL(2) = -B NORMAL(3) = 1. IF (NTRANSP.GT.0) THEN CALL RANK( IND, ZP, NORMAL, FLAG ) ELSE ZHIGH = ZP INDTOP = IND ENDIF ELSEIF (TYPE(IND).EQ.QUADRIC) THEN * First do cheap checks against projection of limiting sphere X = DETAIL(K+1) Y = DETAIL(K+2) Z = DETAIL(K+3) R = DETAIL(K+4) IF (Z+R.LE.ZHIGH) GO TO 250 DX2 = (XP-X)**2 DY2 = (YP-Y)**2 R2 = R**2 IF (DX2 + DY2 .GE. R2) GO TO 240 * Now find Z coord (ZP) in pixel space of point on quadric surface * with these X and Y coords ISQUAD = QTEST( DETAIL(K+1), DETAIL(K+8), & XP, YP, ZP, QNORM, .FALSE., .FALSE. ) IF (.NOT.ISQUAD) GO TO 240 IF (ZP.LE.ZHIGH) GO TO 240 * Check bounding planes. IF (iand(IFLAG,BOUNDED).NE.0) THEN M = MLIST(IFLAG/65536) IF (DETAIL(LIST(M+1)+1) .EQ. ORTEP) THEN CALL ORTEPBOUNDS( M+1, TYPE, LIST, DETAIL, XP,YP,ZP, & QNORM(1),QNORM(2),QNORM(3),ZBACK, BPIND) CORTEP Very ugly code to force bounding plane colors to be used CORTEP but only if they are present. CORTEP An alternative would be to always set IND = BPIND, but CORTEP check for presence of coloring info later, in which case CORTEP IND itself needs to be temporarily saved somewhere. CORTEP Or maybe just cache BPIND now and use it later if non-zero? IF ( (BPIND.GT.0) & .AND.(DETAIL(LIST(BPIND)+9).GE.0.0)) & IND = BPIND ELSE ISQUAD = QTEST( DETAIL(K+1), DETAIL(K+8), & XP, YP, ZBACK, QNORM, .FALSE., .TRUE. ) IF (.NOT.INBOUNDS( M+1, TYPE, LIST, DETAIL, XP,YP,ZP, & QNORM(1),QNORM(2),QNORM(3),ZBACK, BPIND)) & GOTO 240 ENDIF ENDIF C Z-clipping of quadric surfaces is encountered more frequently C than for other object types, as the limiting sphere can also C cause clipping. C Check against limiting sphere in 3D MAYCLIP = .FALSE. DZ2 = (ZP-Z)**2 IF (DX2+DY2+DZ2 .GT. R2) MAYCLIP = .TRUE. IF (iand(IFLAG,CLIPPED).NE.0) THEN MIND = LIST(MLIST(IFLAG/65536)) IF (ZP.GT.DETAIL(MIND+16)) MAYCLIP = .TRUE. ENDIF IF (MAYCLIP) THEN ISQUAD = QTEST( DETAIL(K+1), DETAIL(K+8), & XP, YP, ZP, QNORM, .FALSE., .TRUE. ) IF (.NOT.ISQUAD) GO TO 240 IF (ZP.LE.ZHIGH) GO TO 240 DZ2 = (ZP-Z)**2 IF (DX2+DY2+DZ2 .GT. R2) GO TO 240 IF (iand(IFLAG,CLIPPED).NE.0) THEN IF (ZP.GT.DETAIL(MIND+16)) GO TO 240 IF (ZP.LT.DETAIL(MIND+17)) GO TO 240 ENDIF ENDIF NORMAL(1) = QNORM(1) NORMAL(2) = QNORM(2) NORMAL(3) = QNORM(3) * update values for object having highest z here yet IF (NTRANSP.GT.0) THEN CALL RANK( IND, ZP, NORMAL, FLAG ) ELSE ZHIGH = ZP INDTOP = IND ENDIF ELSE CALL ASSERT(.FALSE.,'crash 240') ENDIF 240 CONTINUE 250 CONTINUE C Apply background fog here (added 2010) IF (FOGTYPE .GE. 0) THEN FOGDIM = FOGGY( FOGLIM(2) - ZTOP ) TILE(1,I,J) = (1.-FOGDIM)*TILE(1,I,J) + FOGDIM*FOGRGB(1) TILE(2,I,J) = (1.-FOGDIM)*TILE(2,I,J) + FOGDIM*FOGRGB(2) TILE(3,I,J) = (1.-FOGDIM)*TILE(3,I,J) + FOGDIM*FOGRGB(3) ENDIF * Background colour if we never found an object in this line of sight IF (INDTOP.EQ.0) GO TO 299 C We now know this is not a background pixel so set alpha channel to 1 C Modify later if it turns out the object is transparent ACHAN(I,J) = 1.0 C Transparency processing revamped Mar 2001 C If the top object is transparent we will have to come back here C later and do this all again for each object in INDLIST IF (NTRANSP.NE.0) THEN C CALL ASSERT(INDEPTH.GT.0,'INDEPTH = 0') ITPASS = 1 ZHIGH = ZLIST(INDEPTH) INDTOP = INDLIST(INDEPTH) NORMAL(1) = NORMLIST(1,INDEPTH) NORMAL(2) = NORMLIST(2,INDEPTH) NORMAL(3) = NORMLIST(3,INDEPTH) RGBLND(1) = BKGND(1) RGBLND(2) = BKGND(2) RGBLND(3) = BKGND(3) ENDIF * ZP is the "height" of the chosen pixel, * and indtop tells us which object it came from: ZTOP = ZHIGH ZP = ZTOP 255 CONTINUE C C Shadowing code - look for objects that shadow the one we just found C IF (SHADOW) THEN * locate pixel in shadow space * take out object translation & scaling XT = (XP - XCENT) / SCALE YT = (YP - YCENT) / SCALE ZT = ZP / SCALE * rotate light source position to z axis XR = SROT(1,1)*XT+SROT(1,2)*YT+SROT(1,3)*ZT YR = SROT(2,1)*XT+SROT(2,2)*YT+SROT(2,3)*ZT ZR = SROT(3,1)*XT+SROT(3,2)*YT+SROT(3,3)*ZT * scale and translate for shadow space XS = XR * SCALE + SXCENT YS = YR * SCALE + SYCENT ZS = ZR * SCALE * determine appropriate shadow tile ISTILE = XS/NPX + 1 JSTILE = YS/NPY + 1 * Just to get proper error message IF (JSTILE.LE.0) JSTILE = NSY + 1 - JSTILE IF (ISTILE.LE.0) ISTILE = NSX + 1 - ISTILE IF (JSTILE.GE.NSY) THEN NSYMAX = MAX(JSTILE,NSYMAX) INDSTP = 0 GOTO 270 END IF IF (ISTILE.GE.NSX) THEN NSXMAX = MAX(ISTILE,NSXMAX) INDSTP = 0 GOTO 270 END IF * starting value of "highest shadow space z so far" * and the index of the object that has it ZSTOP = 2.0*BACKCLIP INDSTP = 0 * DO 260 IK = MSTART(ISTILE,JSTILE), MSTOP(ISTILE,JSTILE) IND = MSHORT(IK) IFLAG = FLAG(IND) * Ignore transparent objects except for the one being shaded IF (iand(IFLAG,TRANSP).NE.0 .AND. IND.NE.INDTOP) GOTO 260 K = MIST(IND) IF (TYPE(IND).EQ.TRIANG) THEN X1 = SDTAIL(K+1) Y1 = SDTAIL(K+2) Z1 = SDTAIL(K+3) X2 = SDTAIL(K+4) Y2 = SDTAIL(K+5) Z2 = SDTAIL(K+6) X3 = SDTAIL(K+7) Y3 = SDTAIL(K+8) Z3 = SDTAIL(K+9) A = SDTAIL(K+10) B = SDTAIL(K+11) C = SDTAIL(K+12) D = SDTAIL(K+13) * cheap check for done "pixel" IF (Z1.LT.ZSTOP .AND. Z2.LT.ZSTOP .AND. Z3.LT.ZSTOP) & GOTO 270 * skip object if degenerate triangle IF (D.EQ.0) GO TO 260 * skip object if z not a new high ZTEST = A*XS + B*YS + C IF (ZTEST.LE.ZSTOP) GO TO 260 * skip object if point exterior S = (X2-X1)*(YS-Y1)-(Y2-Y1)*(XS-X1) T = (X3-X2)*(YS-Y2)-(Y3-Y2)*(XS-X2) U = (X1-X3)*(YS-Y3)-(Y1-Y3)*(XS-X3) IF ( (S.LT.0. .OR. T.LT.0. .OR. U.LT.0.) .AND. & (S.GT.0. .OR. T.GT.0. .OR. U.GT.0.) ) GO TO 260 * Check bounding planes IF (iand(IFLAG,BOUNDED).NE.0) THEN MAT = IFLAG/65536 M = MLIST(MAT)+1 IF (.NOT.INBOUNDS( M, TYPE, MIST, SDTAIL, & XS,YS,ZTEST,DX,DY,DZ,ZTEST, BPIND )) THEN GOTO 260 ENDIF MIND = MIST(MLIST(MAT)) IF (BPIND.NE.0) THEN IF (MPARITY(MAT).GE.0) THEN MPARITY(MAT) = -1 ELSE MPARITY(MAT) = 0 IF (FLAG(INDSTP)/65536.EQ.MAT) THEN INDSTP = 0 ZSTOP = 2.*BACKCLIP ENDIF GOTO 260 ENDIF ENDIF ENDIF * update values for object having highest z here yet ZSTOP = ZTEST INDSTP = IND ELSEIF (TYPE(IND).EQ.SPHERE) THEN X = SDTAIL(K+1) Y = SDTAIL(K+2) Z = SDTAIL(K+3) R = SDTAIL(K+4) * cheap check for done "pixel" IF (Z+R.LT.ZSTOP) GO TO 270 * skip object if point exterior DX = XS-X DY = YS-Y DX2 = DX**2 DY2 = DY**2 R2 = R**2 IF (DX2+DY2 .GE. R2) GO TO 260 * skip object if z not a new high DZ = SQRT(R2-(DX2+DY2)) ZTEST = Z+DZ IF (ZTEST.LE.ZSTOP) GO TO 260 * Check bounding planes. IF (iand(IFLAG,BOUNDED).NE.0) THEN ZBACK = Z-DZ M = MLIST(IFLAG/65536)+1 IF (.NOT.INBOUNDS( M, TYPE, MIST, SDTAIL, & XS,YS,ZTEST,DX,DY,DZ,ZBACK, BPIND)) & GOTO 260 ENDIF * update values for object having highest z here yet ZSTOP = ZTEST INDSTP = IND ELSEIF (TYPE(IND).EQ.CYLIND) THEN * EAM May 1990 X1 = SDTAIL(K+1) Y1 = SDTAIL(K+2) Z1 = SDTAIL(K+3) R1 = SDTAIL(K+4) X2 = SDTAIL(K+5) Y2 = SDTAIL(K+6) Z2 = SDTAIL(K+7) R2 = R1 * EAM Feb 93 - Test first to see if entire cylinder is below * current top object in shadow space IF (MAX( Z1+R1, Z2+R2 ) .LT. ZSTOP) GOTO 270 * Now find Z coord (ZTEST) in pixel space of point on * surface of cylinder with these X and Y coords ISCYL = CYLTEST( IFLAG, AXFRAC, & X1,Y1,Z1, X2,Y2,Z2, XS,YS,ZTEST, R1, XA,YA,ZA ) IF (.NOT.ISCYL) GO TO 260 * skip object if z not a new high IF (ZTEST.LE.ZSTOP) GO TO 260 * Check bounding planes. IF (iand(IFLAG,BOUNDED).NE.0) THEN ISCYL = CYLTEST( ior(IFLAG,INSIDE+TRANSP), AXFRAC, & X1,Y1,Z1, X2,Y2,Z2, XS,YS,ZBACK, R1, XA,YA,ZA) M = MLIST(IFLAG/65536)+1 IF (.NOT.INBOUNDS( M, TYPE, MIST, SDTAIL, & XS,YS,ZTEST,DX,DY,DZ,ZBACK, BPIND )) & GOTO 260 ENDIF * update values for object having highest z here yet ZSTOP = ZTEST INDSTP = IND ELSEIF (TYPE(IND).EQ.QUADRIC) THEN X = SDTAIL(K+1) Y = SDTAIL(K+2) Z = SDTAIL(K+3) R = SDTAIL(K+4) * cheap check against limiting sphere IF (Z+R.LT.ZSTOP) GO TO 270 DX = XS-X DY = YS-Y R2 = R**2 IF (DX**2 + DY**2 .GE. R2) GO TO 260 * Now find Z coord (ZTEST) in shadow pixel space of point on * surface with these X and Y coords ISQUAD = QTEST( SDTAIL(K+1), SDTAIL(K+5), & XS, YS, ZTEST, QNORM, .TRUE., .FALSE. ) CDEBUG XS, YS, ZTEST, QNORM, .TRUE., .TRUE. ) CDEBUG 16-Dec-1998 I inverted the BACKSIDE = TRUE/FALSE flags from CDEBUG what they "ought" to be to remove buggy shadows from a test CDEBUG case parabolic hyperboloid. I don't understand why this would be CDEBUG necessary, and worry a bit that it breaks something else. CDEBUG IF (.NOT.ISQUAD) GO TO 260 * skip object if z not a new high IF (ZTEST.LE.ZSTOP) GO TO 260 * Check bounding planes. IF (iand(IFLAG,BOUNDED).NE.0) THEN M = MLIST(IFLAG/65536) IF (DETAIL(LIST(M)+1) .EQ. ORTEP) THEN ISQUAD = QTEST( SDTAIL(K+1), SDTAIL(K+5), & XS, YS, ZBACK, QNORM, .TRUE., .TRUE. ) IF (.NOT.INBOUNDS(M+1, & TYPE, MIST, SDTAIL, XS,YS,ZTEST, & QNORM(1),QNORM(2),QNORM(3),ZBACK, BPIND)) & GOTO 260 ENDIF ENDIF * Test against bounding sphere in 3D * and if surface nearest to light is clipped, check back also DZ = ZTEST-Z IF (DX**2 + DY**2 + DZ**2 .GE. R2) THEN ISQUAD = QTEST( SDTAIL(K+1), SDTAIL(K+5), & XS, YS, ZTEST, QNORM, .TRUE., .TRUE. ) CDEBUG XS, YS, ZTEST, QNORM, .TRUE., .FALSE. ) IF (.NOT.ISQUAD) GO TO 260 IF (ZTEST.LE.ZSTOP) GO TO 260 DZ = ZTEST - Z IF (DX**2 + DY**2 + DZ**2 .GE. R2) GO TO 260 ENDIF * update values for object having highest z here yet ZSTOP = ZTEST INDSTP = IND C No more legal object types; should never happen ELSE CALL ASSERT(.FALSE.,'shadow tile error, crash 260') ENDIF 260 CONTINUE 270 CONTINUE C End of search for objects that shadow this one if ((zstop+zslop).lt.zs .and. indstp.ne.0) nslow = nslow + 1 ELSE ZS = 0. ZSTOP = 0. INDSTP = INDTOP ENDIF * if roundoff made us miss the object, we are probably * at a pixel that is very near the edge of the object * from the point of view of the light source, so just * treat it as if not in shadow IF (INDSTP.EQ.0) THEN ZS = 0. ZSTOP = 0. INDSTP = INDTOP ENDIF * * Pick up colours of object to be shaded * K = LIST(INDTOP) IF (TYPE(INDTOP).EQ.TRIANG) THEN IF (iand(FLAG(INDTOP),VCOLS).NE.0) THEN ALPHA = DETAIL(K+14) BETA = DETAIL(K+15) INEXT = INDTOP + 1 IF ((TYPE(INEXT).EQ.NORMS).OR.(TYPE(INEXT).EQ.VERTRANSP)) & INEXT = INEXT + 1 IF ((TYPE(INEXT).EQ.NORMS).OR.(TYPE(INEXT).EQ.VERTRANSP)) & INEXT = INEXT + 1 K = LIST(INEXT) CALL ASSERT(TYPE(INEXT).EQ.VERTEXRGB,'lost vertex colors') RGBCUR(1) = DETAIL(K+1) & + ALPHA*(DETAIL(K+4)-DETAIL(K+1)) & + BETA*(DETAIL(K+7)-DETAIL(K+1)) RGBCUR(2) = DETAIL(K+2) & + ALPHA*(DETAIL(K+5)-DETAIL(K+2)) & + BETA*(DETAIL(K+8)-DETAIL(K+2)) RGBCUR(3) = DETAIL(K+3) & + ALPHA*(DETAIL(K+6)-DETAIL(K+3)) & + BETA*(DETAIL(K+9)-DETAIL(K+3)) ELSE RGBCUR(1) = DETAIL(K+14) RGBCUR(2) = DETAIL(K+15) RGBCUR(3) = DETAIL(K+16) ENDIF ELSEIF (TYPE(INDTOP).EQ.SPHERE) THEN RGBCUR(1) = DETAIL(K+5) RGBCUR(2) = DETAIL(K+6) RGBCUR(3) = DETAIL(K+7) ELSEIF (TYPE(INDTOP).EQ.CYLIND) THEN IF (iand(FLAG(INDTOP),VCOLS).NE.0) THEN FRAC = DETAIL(K+8) INEXT = INDTOP + 1 IF (TYPE(INEXT).EQ.VERTRANSP) INEXT = INEXT + 1 K = LIST(INEXT) CALL ASSERT(TYPE(INEXT).EQ.VERTEXRGB,'lost vertex colors') RGBCUR(1) = FRAC*DETAIL(K+4) + (1.-FRAC)*DETAIL(K+1) RGBCUR(2) = FRAC*DETAIL(K+5) + (1.-FRAC)*DETAIL(K+2) RGBCUR(3) = FRAC*DETAIL(K+6) + (1.-FRAC)*DETAIL(K+3) ELSE RGBCUR(1) = DETAIL(K+9) RGBCUR(2) = DETAIL(K+10) RGBCUR(3) = DETAIL(K+11) ENDIF * EAM Mar 1993 PLANE is shaded from full colour in foreground * to half-saturation at horizon ELSEIF (TYPE(INDTOP).EQ.PLANE) THEN FADE = (ZP + 3.*SCALE) / (4.*SCALE) RGBCUR(1) = FADE * DETAIL(K+5) + (1.-FADE) * BKGND(1) RGBCUR(2) = FADE * DETAIL(K+6) + (1.-FADE) * BKGND(2) RGBCUR(3) = FADE * DETAIL(K+7) + (1.-FADE) * BKGND(3) ELSEIF (TYPE(INDTOP).EQ.QUADRIC) THEN RGBCUR(1) = DETAIL(K+5) RGBCUR(2) = DETAIL(K+6) RGBCUR(3) = DETAIL(K+7) ELSEIF (TYPE(INDTOP).EQ.INTERNAL) THEN RGBCUR(1) = DETAIL(K+9) RGBCUR(2) = DETAIL(K+10) RGBCUR(3) = DETAIL(K+11) ELSE WRITE(LINE,*) 'Top object claims to be type',TYPE(INDTOP) CALL ASSERT(.FALSE.,LINE) ENDIF * * Get shading components. * * * 11-May-1997 As of now, treat negative normal(3) as indicating the * back side of a material. Default is to shrug and invert the normal. * Some material have explicit BACKFACE proterties, however. * BACKFACE = .FALSE. IF (NORMAL(3).LE.0) THEN NORMAL(1) = -NORMAL(1) NORMAL(2) = -NORMAL(2) NORMAL(3) = -NORMAL(3) BACKFACE = .TRUE. IF (iand(FLAG(INDTOP),PROPS).NE.0) THEN K = FLAG(INDTOP) / 65536 if(K.le.0)WRITE(NOISE,*)"FLAG(",INDTOP,")=",FLAG(INDTOP) CALL ASSERT(K.GT.0,'lost material definition') IF (iand(FLAG(MLIST(K)),INSIDE).NE.0) THEN K = LIST(MLIST(K)) RGBCUR(1) = DETAIL(K+11) RGBCUR(2) = DETAIL(K+12) RGBCUR(3) = DETAIL(K+13) END IF END IF END IF * ABSN = SQRT(NORMAL(1)**2 + NORMAL(2)**2 + NORMAL(3)**2) c CALL ASSERT(ABS(ABSN-1.0).LT.0.02,'>> Abnormal normal') NL(1) = NORMAL(1) / ABSN NL(2) = NORMAL(2) / ABSN NL(3) = NORMAL(3) / ABSN SDIFF = NL(3) * STRAIT*DIFFUS SSP = 2.*NL(3)**2 - 1. * We do the value check like this to avoid floating-point underflows * in the Phonging. We also save calculation time this way, because * the 0 case will occur often for reasonably high Phong powers. * Note that PHOBND**IPHONG should evaluate to the cutoff value * between significant and insignificant specular contribution. * The contributions that are actually computed here * can be smaller by a factor of STRAIT*SPECLR: IF (SSP.LT.PHOBND .OR. IPHONG.EQ.0) THEN SSPEC = 0. ELSE SSPEC = SSP**IPHONG * STRAIT*SPECLR ENDIF LDOTN = SOURCE(1)*NL(1)+SOURCE(2)*NL(2)+SOURCE(3)*NL(3) IF (LDOTN.LE.0.) THEN PDIFF = 0. PSPEC = 0. PSP = 0. ELSE PDIFF = LDOTN * PRIMAR*DIFFUS PSP = 2.*LDOTN*NL(3) - SOURCE(3) * Comments as for SSPEC apply, but substitute PRIMAR for STRAIT: IF (PSP.LT.PHOBND .OR. IPHONG.EQ.0) THEN PSPEC = 0. ELSE PSPEC = PSP**IPHONG * PRIMAR*SPECLR ENDIF ENDIF * * experience has shown the "spots" on dark objects to be rather * overpowering, especially by comparison to those on brighter * objects. hence the specular reflections on dark objects are * now artificially scaled down by a function which relates * directly to the "brightness" of the object. * this makes such objects duller, but their * colour seems to come through more clearly, and they don't * appear more specular than the brighter objects. * the funny coefficients are ntsc: BRIGHT = 0.2 + 0.8 * SQRT(0.299*RGBCUR(1) + & 0.587*RGBCUR(2) + & 0.114*RGBCUR(3)) SSPEC = SSPEC * BRIGHT PSPEC = PSPEC * BRIGHT * * The usual case is white lighting, no transparency * SPECOL(1) = 1.0 SPECOL(2) = 1.0 SPECOL(3) = 1.0 SBLEND = 1.0 CLRITY = 0.0 * * Extra properties make specular highlighting calculation a * bit more complex. First we have to find the MATERIAL description. * IF (iand(FLAG(INDTOP),PROPS).NE.0) THEN K = FLAG(INDTOP) / 65536 if(K.le.0)then WRITE(NOISE,*)"FLAG(",INDTOP-1,") =",FLAG(INDTOP-1) WRITE(NOISE,*)"FLAG(",INDTOP,") =",FLAG(INDTOP) WRITE(NOISE,*)"FLAG(",INDTOP+1,") =",FLAG(INDTOP+1) endif CALL ASSERT(K.GT.0,'lost material definition') IF (iand(FLAG(MLIST(K)),INSIDE).NE.0 .AND. & iand(FLAG(INDTOP), INSIDE).NE.0) THEN K = LIST(MLIST(K)) MPHONG = DETAIL(K+14) SPECM = DETAIL(K+15) ELSE K = LIST(MLIST(K)) MPHONG = DETAIL(K+1) SPECM = DETAIL(K+2) ENDIF SPECOL(1) = DETAIL(K+3) SPECOL(2) = DETAIL(K+4) SPECOL(3) = DETAIL(K+5) IF (SPECOL(1).LT.0) SPECOL(1) = RGBCUR(1) IF (SPECOL(2).LT.0) SPECOL(2) = RGBCUR(2) IF (SPECOL(3).LT.0) SPECOL(3) = RGBCUR(3) CLRITY = DETAIL(K+6) * not currently used, as MOPT(1)=1 already marked in FLAG, * but future interpretations of MOPT(1) might need it CLROPT = DETAIL(K+7) ENDIF * * 20-Feb-2000 Allow per-vertex transparency (obj type 18) IF (iand(FLAG(INDTOP),VTRANS).NE.0) THEN IF (TYPE(INDTOP).EQ.CYLIND) THEN K = LIST(INDTOP) FRAC = DETAIL(K+8) INEXT = INDTOP + 1 IF (TYPE(INEXT).EQ.VERTEXRGB) INEXT = INEXT + 1 CALL ASSERT(TYPE(INEXT).EQ.VERTRANSP,'lost vertex transp') K = LIST(INEXT) CLRITY = FRAC*DETAIL(K+1) + (1.-FRAC)*DETAIL(K+2) ELSE IF (TYPE(INDTOP).EQ.TRIANG) THEN K = LIST(INDTOP) ALPHA = DETAIL(K+14) BETA = DETAIL(K+15) INEXT = INDTOP + 1 IF ((TYPE(INEXT).EQ.VERTEXRGB).OR.(TYPE(INEXT).EQ.NORMS)) & INEXT = INEXT + 1 IF ((TYPE(INEXT).EQ.VERTEXRGB).OR.(TYPE(INEXT).EQ.NORMS)) & INEXT = INEXT + 1 CALL ASSERT(TYPE(INEXT).EQ.VERTRANSP,'lost vertex transp') K = LIST(INEXT) CLRITY = DETAIL(K+1) & + ALPHA * (DETAIL(K+2)-DETAIL(K+1)) & + BETA * (DETAIL(K+3)-DETAIL(K+1)) CALL ASSERT(CLRITY.LE.1 .AND. CLRITY.GE.0.0, 'illegal transp') ELSE CALL ASSERT(.FALSE.,'illegal vertex transp') ENDIF ENDIF C C This is the only computationally intensive code (as opposed to mere C bookkeeping) involved in rendering transparent objects. The blend C factor must be some function of the clarity/transparency, but I'm not C sure exactly what the equation ought to be. The cosine function in C TRNSPOPT option 0 below was chosen after purely empirical tests of the C resulting image quality. If your machine bogs down incredibly due to C the cosine call, then you might prefer to use TRNSPOPT 1 instead. C Conversely, if you don't mind the extra computation then you could use C TRNSPOPT 2, which is closer to an ideal model. C Dec 2010: controlled by OPT(2) in the MATERIAL specification record C IF (CLRITY.NE.0) THEN ZN = ABS(NL(3)) + MODULO(TRNSPOPT,1.0) SELECT CASE(FLOOR(TRNSPOPT)) CASE DEFAULT ! CASE 0 SBLEND = .25*(1.+COS(3.1416*CLRITY*ZN))**2 CASE (1) SBLEND = (1. - CLRITY*ZN)**2 CASE (2) SBLEND = 1.0 - CLRITY ** ( 0.7071 / ZN ) CASE (3) SBLEND = 1.0 - CLRITY END SELECT ENDIF C C Final calculation of specular properties of special materials C IF (iand(FLAG(INDTOP),PROPS).NE.0) THEN DIFFM = 1. - (SPECM + AMBIEN) SDIFF = SDIFF * DIFFM / DIFFUS PDIFF = PDIFF * DIFFM / DIFFUS SSPEC = 0.0 PSPEC = 0.0 IF (SSP .GE. PHOBND) & SSPEC = SSP**MPHONG * STRAIT*SPECM IF ((PSP .GE. PHOBND) .AND. (LDOTN.GT.0)) & PSPEC = PSP**MPHONG * PRIMAR*SPECM * de-emphasize highlights from inside surface of transparent objects * Could use BACKFACE flag instead of INSIDE to catch non-triangles IF (iand(FLAG(INDTOP),INSIDE).NE.0) THEN SSPEC = SSPEC * (1.-SPECM) PSPEC = PSPEC * (1.-SPECM) ENDIF END IF * * We now return you to your regular processing * DO 280 KC = 1, 3 C2ND = SBLEND*RGBCUR(KC)*(AMBIEN+SDIFF) + SSPEC*SPECOL(KC) CSUN = SBLEND*RGBCUR(KC)*PDIFF + PSPEC*SPECOL(KC) RGBSHD(KC) = C2ND RGBFUL(KC) = C2ND + CSUN 280 CONTINUE C EAM March 1997 - Support additional non-shadowing light sources C which lie within figure and have a finite range of illumination. IF (NGLOWS.GT.0) THEN DO KC = 1,3 RGBSHD(KC) = (1.-GLOWMAX)*RGBSHD(KC) RGBFUL(KC) = (1.-GLOWMAX)*RGBFUL(KC) ENDDO * Recover glow light parameters DO NG = 1, NGLOWS IG = LIST(GLOWLIST(NG)) GLOWSRC(1) = DETAIL(IG+1) GLOWSRC(2) = DETAIL(IG+2) GLOWSRC(3) = DETAIL(IG+3) GLOWRAD = DETAIL(IG+4) GLOW = DETAIL(IG+5) GOPT = DETAIL(IG+6) GPHONG = DETAIL(IG+7) GLOWCOL(1) = DETAIL(IG+8) GLOWCOL(2) = DETAIL(IG+9) GLOWCOL(3) = DETAIL(IG+10) * GDIST(1) = GLOWSRC(1) - XP GDIST(2) = GLOWSRC(2) - YP GDIST(3) = GLOWSRC(3) - ZP ABSN = SQRT(GDIST(1)**2 + GDIST(2)**2 + GDIST(3)**2) GDIST(1) = GDIST(1) / ABSN GDIST(2) = GDIST(2) / ABSN GDIST(3) = GDIST(3) / ABSN LDOTN = GDIST(1)*NL(1) + GDIST(2)*NL(2) + GDIST(3)*NL(3) IF (LDOTN.LE.0) THEN GDIFF = 0. GSPEC = 0. ELSE C Might want separate diffuse param for glow; (always 1.0?) C GDIFF = LDOTN * DIFFUS GDIFF = LDOTN GSP = 2.*LDOTN*NL(3) - GDIST(3) IF (GSP.LT.PHOBND .OR. GPHONG.EQ.0) THEN GSPEC = 0. ELSE GSPEC = GSP**GPHONG * SPECLR ENDIF ENDIF C Limit glow effect by some function of ABSN, GLOWRAD IF (GOPT.EQ.3) THEN GFADE = MAX( 0., 1. - ABSN/GLOWRAD ) ELSE IF (GOPT.EQ.2) THEN GFADE = 1./(ABSN/GLOWRAD + 1.) ELSE IF (GOPT.EQ.1) THEN GFADE = 1./(ABSN/GLOWRAD + 1.)**2 ELSE GFADE = MIN( 1., 1./(ABSN/GLOWRAD)**2 ) ENDIF DO KC = 1,3 C This isn't right for transparent surfaces CGLO = SBLEND*RGBCUR(KC)*GDIFF + GSPEC CGLO = GFADE * GLOWCOL(KC) * CGLO RGBSHD(KC) = RGBSHD(KC) + CGLO RGBFUL(KC) = RGBFUL(KC) + CGLO ENDDO * End of this glow light ENDDO ENDIF * * That does it for the shading computation. * ZS should still be a shadow-space co-ordinate of the pixel * whose shading we were interested in, and zstop should be a * shadow-space object's co-ordinate no further than that from * the primary light source (modulo the empirical slop factor). * IF (INDTOP.EQ.INDSTP) THEN TILE(1,I,J) = RGBFUL(1) TILE(2,I,J) = RGBFUL(2) TILE(3,I,J) = RGBFUL(3) ELSE IF (ZS+ZSLOP.GE.ZSTOP) THEN nzslop = nzslop + 1 TILE(1,I,J) = RGBFUL(1) TILE(2,I,J) = RGBFUL(2) TILE(3,I,J) = RGBFUL(3) ELSE TILE(1,I,J) = RGBSHD(1) TILE(2,I,J) = RGBSHD(2) TILE(3,I,J) = RGBSHD(3) ENDIF C C Fog processing added July 1998; moved into transp. loop 2010. C Note: Background fog is applied at beginning of this loop. C Should have glow lights brighten fog? IF (FOGTYPE .GE. 0) THEN FOGDIM = FOGGY( FOGLIM(2) - ZP ) TILE(1,I,J) = (1.-FOGDIM)*TILE(1,I,J) + FOGDIM*FOGRGB(1) TILE(2,I,J) = (1.-FOGDIM)*TILE(2,I,J) + FOGDIM*FOGRGB(2) TILE(3,I,J) = (1.-FOGDIM)*TILE(3,I,J) + FOGDIM*FOGRGB(3) ENDIF C C Transparency processing totally overhauled Feb 2001 C The first pass is sufficient if top object is opaque. IF (NTRANSP .EQ. 0) GOTO 299 IF (INDEPTH.EQ.1 .AND. iand(FLAG(INDTOP),TRANSP).EQ.0) GOTO 299 IF (ITPASS.EQ.1) THEN ACHAN(I,J) = SBLEND ELSE ACHAN(I,J) = 1. - (1.-ACHAN(I,J))*(1.-SBLEND) ENDIF RGBLND(1) = (1.-SBLEND)*RGBLND(1) + TILE(1,I,J) RGBLND(2) = (1.-SBLEND)*RGBLND(2) + TILE(2,I,J) RGBLND(3) = (1.-SBLEND)*RGBLND(3) + TILE(3,I,J) C CALL ASSERT(ITPASS.LE.INDEPTH,'Ran off end of INDEPTH') IF (ITPASS.GE.INDEPTH) THEN TILE(1,I,J) = RGBLND(1) TILE(2,I,J) = RGBLND(2) TILE(3,I,J) = RGBLND(3) ZTOP = ZP ELSE ZP = ZLIST(INDEPTH-ITPASS) INDTOP = INDLIST(INDEPTH-ITPASS) NORMAL(1) = NORMLIST(1,INDEPTH-ITPASS) NORMAL(2) = NORMLIST(2,INDEPTH-ITPASS) NORMAL(3) = NORMLIST(3,INDEPTH-ITPASS) ITPASS = ITPASS + 1 GOTO 255 ENDIF C End of transparency processing C 299 CONTINUE C 300 CONTINUE 400 CONTINUE * do tile averaging and save output tile in outbuf C For now fold schemes 0 and 1 together; later split for efficiency? IF (SCHEME.LE.1) THEN K = (ITILE-1)*NOX DO 420 J = 1, NOY DO 415 I = 1, NOX K = K + 1 C CALL ASSERT (K.LE.SIZE(OUTBUF,1),'k>outsiz') C DO 410 IC = 1, 3 ICK = 256. * SQRT(TILE(IC,I,J)) IF (ICK.LT.0) ICK = 0 IF (ICK.GT.255) ICK = 255 IF (GAMMACORRECTION) ICK = GAMMA_MAP(ICK+1) OUTBUF(K,IC) = ICK 410 CONTINUE C IF (SCHEME.EQ.0) THEN ICK = 255. * ACHAN(I,J) IF (ICK.LT.0) ICK = 0 IF (ICK.GT.255) ICK = 255 OUTBUF(K,4) = ICK END IF C 415 CONTINUE K = K + NOX*(NTX-1) 420 CONTINUE ELSEIF (SCHEME.EQ.2) THEN K = (ITILE-1)*NOX DO 440 J = 1, NOY DO 435 I = 1, NOX K = K + 1 DO 430 IC = 1, 3 * I'm not quite convinced by this pixel averaging * (is a corner worth too much in this setup?): TMP = (TILE(IC,2*I-1,2*J-1) + & TILE(IC,2*I ,2*J-1) + & TILE(IC,2*I-1,2*J ) + & TILE(IC,2*I ,2*J )) / 4. ICK = 256. * SQRT(TMP) IF (ICK.LT.0) ICK = 0 IF (ICK.GT.255) ICK = 255 IF (GAMMACORRECTION) ICK = GAMMA_MAP(ICK+1) OUTBUF(K,IC) = ICK 430 CONTINUE 435 CONTINUE K = K + NOX*(NTX-1) 440 CONTINUE ELSEIF (SCHEME.EQ.3) THEN NHX = NOX/2 NHY = NOY/2 K = (ITILE-1)*NOX DO 460 J = 1, NHY DO 455 I = 1, NHX DO 450 IC = 1, 3 * Bad pixel averaging?: TMP1 = (TILE(IC,3*I-2,3*J-2) + & TILE(IC,3*I-1,3*J-2)/2. + & TILE(IC,3*I-2,3*J-1)/2. + & TILE(IC,3*I-1,3*J-1)/4.) / (9./4.) TMP2 = (TILE(IC,3*I-1,3*J-2)/2. + & TILE(IC,3*I ,3*J-2) + & TILE(IC,3*I-1,3*J-1)/4. + & TILE(IC,3*I ,3*J-1)/2.) / (9./4.) TMP3 = (TILE(IC,3*I-2,3*J-1)/2. + & TILE(IC,3*I-1,3*J-1)/4. + & TILE(IC,3*I-2,3*J ) + & TILE(IC,3*I-1,3*J )/2.) / (9./4.) TMP4 = (TILE(IC,3*I-1,3*J-1)/4. + & TILE(IC,3*I ,3*J-1)/2. + & TILE(IC,3*I-1,3*J )/2. + & TILE(IC,3*I ,3*J ) ) / (9./4.) ICK1 = MIN(MAX(INT(256.*SQRT(TMP1)),0),255) ICK2 = MIN(MAX(INT(256.*SQRT(TMP2)),0),255) ICK3 = MIN(MAX(INT(256.*SQRT(TMP3)),0),255) ICK4 = MIN(MAX(INT(256.*SQRT(TMP4)),0),255) IF (GAMMACORRECTION) THEN ICK1 = GAMMA_MAP(ICK1+1) ICK2 = GAMMA_MAP(ICK2+1) ICK3 = GAMMA_MAP(ICK3+1) ICK4 = GAMMA_MAP(ICK4+1) ENDIF OUTBUF( K+1,IC) = ICK1 OUTBUF( K+2,IC) = ICK2 OUTBUF(NX+K+1,IC) = ICK3 OUTBUF(NX+K+2,IC) = ICK4 450 CONTINUE K = K + 2 455 CONTINUE K = K + NOX*(2*NTX - 1) 460 CONTINUE ELSE CALL ASSERT(.FALSE.,'crash 500') ENDIF 500 CONTINUE * Ready to write when we have completed a row of tiles K = 0 DO 550 J=1,NOY LINOUT = LINOUT + 1 IF (LINOUT.GT.NAY) GOTO 600 IERR = LOCAL(2, OUTBUF(K+1,1), OUTBUF(K+1,2), OUTBUF(K+1,3), & OUTBUF(K+1,4) ) K = K + NX C CALL ASSERT (K.LE.SIZE(OUTBUF,1),'k>outsiz') 550 CONTINUE 600 CONTINUE * * Report any soft failures IF ( NSXMAX.GT.0 .OR. NSYMAX.GT.0 & .OR. TRANOVFL.GT.0 ) THEN WRITE(NOISE,*)' >>> WARNINGS <<<' END IF IF (NSXMAX.GT.0) WRITE(NOISE,*) & ' Possible shadow error NSXMAX=',NSXMAX IF (NSYMAX.GT.0) WRITE(NOISE,*) & ' Possible shadow error NSYMAX=',NSYMAX IF (TRANOVFL.GT.0) WRITE(NOISE,601) & ' Transparency processing truncated at MAXTRANSP=', & MAXTRANSP, ' for', TRANOVFL,' pixels' 601 FORMAT(A,I3,A,I10,A) * * Debugging information if (verbose) then if (nzslop.gt.0) write(noise,*)' NZSLOP failures=',nzslop if (nslow.gt.0) write(noise,*)' NSLOW failures=',nslow endif * * close up shop IERR = LOCAL(3) * END SUBROUTINE TRANSF (X,Y,Z) * Input transformation COMMON /MATRICES/ XCENT, YCENT, SCALE, EYEPOS, SXCENT, SYCENT, & TMAT, TINV, TINVT, SROT, SRTINV, SRTINVT & ,RAFTER, TAFTER REAL XCENT, YCENT, SCALE, EYEPOS, SXCENT, SYCENT * Transformation matrix, inverse of transpose, and transposed inverse REAL TMAT(4,4), TINV(4,4), TINVT(4,4) * Shortest rotation from light source to +z axis REAL SROT(4,4), SRTINV(4,4), SRTINVT(4,4) * Post-hoc transformation on top of original TMAT REAL RAFTER(4,4), TAFTER(3) REAL X,Y,Z REAL G(4),H(4) H(1) = X*TMAT(1,1) + Y*TMAT(2,1) + Z*TMAT(3,1) + TMAT(4,1) H(2) = X*TMAT(1,2) + Y*TMAT(2,2) + Z*TMAT(3,2) + TMAT(4,2) H(3) = X*TMAT(1,3) + Y*TMAT(2,3) + Z*TMAT(3,3) + TMAT(4,3) H(4) = X*TMAT(1,4) + Y*TMAT(2,4) + Z*TMAT(3,4) + TMAT(4,4) * Apply post-hoc rotation and translation also G(1) = RAFTER(1,1)*H(1) + RAFTER(1,2)*H(2) + RAFTER(1,3)*H(3) & + TAFTER(1) G(2) = RAFTER(2,1)*H(1) + RAFTER(2,2)*H(2) + RAFTER(2,3)*H(3) & + TAFTER(2) G(3) = RAFTER(3,1)*H(1) + RAFTER(3,2)*H(2) + RAFTER(3,3)*H(3) & + TAFTER(3) CALL ASSERT (H(4).NE.0.,'infinite vector') X = G(1) / H(4) Y = G(2) / H(4) Z = G(3) / H(4) RETURN END SUBROUTINE ISOLATE( X, Y ) * Expand X and Y coordinates to fill image regardless of aspect ratio COMMON /OPTIONS/ FONTSCALE, GAMMA, ZOOM, NSCHEME, SHADOWFLAG, XBG, & NAX, NAY, OTMODE, QUALITY, INVERT, LFLAG REAL FONTSCALE, GAMMA, ZOOM INTEGER NSCHEME, SHADOWFLAG, XBG INTEGER*4 NAX, NAY, OTMODE, QUALITY LOGICAL*2 INVERT, LFLAG COMMON /MATRICES/ XCENT, YCENT, SCALE, EYEPOS, SXCENT, SYCENT, & TMAT, TINV, TINVT, SROT, SRTINV, SRTINVT & ,RAFTER, TAFTER REAL XCENT, YCENT, SCALE, EYEPOS, SXCENT, SYCENT COMMON /NICETIES/ TRULIM, ZLIM, FRONTCLIP, BACKCLIP & , ISOLATION REAL TRULIM(3,2), ZLIM(2), FRONTCLIP, BACKCLIP INTEGER ISOLATION * IF (INVERT) Y = -Y IF (ISOLATION.EQ.2) THEN ASPECT = XCENT/YCENT IF (ASPECT.GT.1.0) X = X * ASPECT IF (ASPECT.LT.1.0) Y = Y / ASPECT ENDIF RETURN END SUBROUTINE HSORTD (N, A, NDEX) INTEGER N REAL A(N) INTEGER NDEX(N) * * this formulation of heapsort is based on n. wirth, * "algorithms + data structures = programs" (p. 75). * * the caller supplies an array, a, containing n elements, and an * index array with space for n integers. * a and n are considered "read-only" by the subroutine, but ndex * is filled by the subroutine with the sequence of indices of a * that obtain the elements of a in ascending order. this is * similar to the apl unary "tree" operator. thus a(ndex(1)) is the * smallest element after the sort, and a(ndex(n)) is the largest. * INTEGER L, R, T DO 10 I = 1, N 10 NDEX(I) = I L = N/2 + 1 R = N 20 IF (L .LE. 1) GO TO 30 L = L - 1 CALL HSIFTD (N, A, NDEX, L, R) GO TO 20 30 IF (R .LE. 1) RETURN T = NDEX(1) NDEX(1) = NDEX(R) NDEX(R) = T R = R - 1 CALL HSIFTD (N, A, NDEX, L, R) GO TO 30 END SUBROUTINE HSIFTD (N, A, NDEX, L, R) * used by hsortd INTEGER N REAL A(N) INTEGER NDEX(N), L, R INTEGER I, J, X I = L J = I + I X = NDEX(I) 10 IF (J .GT. R) GO TO 20 IF (J .GE. R) GO TO 15 IF (A(NDEX(J)) .LT. A(NDEX(J+1))) J = J + 1 15 IF (A(X) .GE. A(NDEX(J))) GO TO 20 NDEX(I) = NDEX(J) I = J J = I + I GO TO 10 20 NDEX(I) = X RETURN END SUBROUTINE PLANER (X1,Y1,Z1,X2,Y2,Z2,X3,Y3,Z3, A,B,C,D) IMPLICIT REAL (A-Z) * solve for coefficients of plane eqn z=ax+by+c * and yield d=0 in case of degenerate ("edge-on") triangle D1 = Z1*(Y2-Y3) - Y1*(Z2-Z3) + Z2*Y3-Y2*Z3 D2 = X1*(Z2-Z3) - Z1*(X2-X3) + X2*Z3-Z2*X3 D3 = X1*(Y2*Z3-Z2*Y3) - Y1*(X2*Z3-Z2*X3) + Z1*(X2*Y3-Y2*X3) D = X1*(Y2-Y3) - Y1*(X2-X3) + X2*Y3-Y2*X3 A = 0. B = 0. C = 0. IF (D.NE.0.) THEN A = D1/D B = D2/D C = D3/D ENDIF IF (ABS(A)+ABS(B)+ABS(C).GT.1E10) THEN D = 0.0 ENDIF RETURN END SUBROUTINE ASSERT (LOGIC, DAMMIT) LOGICAL LOGIC CHARACTER*(*) DAMMIT INTEGER ASSOUT LOGICAL VERBOSE COMMON /ASSCOM/ ASSOUT, VERBOSE SAVE /ASSCOM/ IF (LOGIC) RETURN WRITE (ASSOUT,*) 'ERROR >>>>>> ',DAMMIT CALL EXIT(-1) END C C Find Z coord of point on surface of cylinder with known X and Y coords C cylinder axis is X2 - X1, cylinder radius is R C Need to find Z coord ZB. C flag is 0 if cylinder had rounded ends, FLAT if it has flat ends, C Also find nearest point XYZA on cylinder axis and fraction along it. C FUNCTION CYLTEST ( flag, axfrac, & x1,y1,z1, x2,y2,z2, xb,yb,zb, R, xa,ya,za ) LOGICAL CYLTEST c implicit NONE * * Bit definitions for FLAG array INTEGER FLAT, RIBBON, SURFACE, PROPS PARAMETER (FLAT=2, RIBBON=4, SURFACE=8, PROPS=16) INTEGER TRANSP, HIDDEN, INSIDE, MOPT1 PARAMETER (TRANSP=32, HIDDEN=64, INSIDE=128,MOPT1=256) INTEGER VCOLS, CLIPPED, VTRANS, BOUNDED PARAMETER (VCOLS=512, CLIPPED=1024, VTRANS=2048, BOUNDED=4096) INTEGER TFI PARAMETER (TFI = TRANSP + INSIDE) c INTEGER flag REAL x1,y1,z1, x2,y2,z2, xb,yb,zb REAL R REAL xa,ya,za c REAL ca,cb,cg,dx,dy,dz,d2 REAL A0,A1,A2,Q REAL p1,r2,dx2,dy2 REAL dd1,dd2 c c start with direction cosines * d2 ca = x2 - x1 cb = y2 - y1 cg = z2 - z1 c c other useful quantities c (note: if d2==0 must be degenerate cylinder, really a disk) r2 = R*R d2 = ca*ca + cb*cb + cg*cg dx = xb - x1 dy = yb - y1 dx2 = dx**2 dy2 = dy**2 c c use these to find coefficients of quadratic equation for ZB c EAM Jan 1997 test and handle dx-dy=0 if (ca.eq.0. .and. cb.eq.0.) then if (z2.gt.z1) p1 = 1.0 if (z2.lt.z1) p1 = -1.0 goto 100 end if c A0 = (dx*cb - dy*ca)**2 + (dy2 + dx2)*cg*cg - r2*d2 A1 = -2.0 * (dy*cg*cb + dx*ca*cg) A2 = ca*ca + cb*cb Q = A1*A1 - 4.0*A0*A2 if (Q .lt. 0) then C zb = -99999. cyltest = .false. return else if ( iand(flag,TFI) .eq. TFI) then dz = (-sqrt(Q) - A1) / (2.0 * A2) else dz = ( sqrt(Q) - A1) / (2.0 * A2) endif zb = z1 + dz end if c c now find nearest point on cylinder axis c p1 is fraction along axis from x1 to x2 c 0 < p1 < 1 means point is on wall of cylinder c dd1 = dx2 + dy2 + dz*dz dd2 = (x2-xb)**2 + (y2-yb)**2 + (z2-zb)**2 c p1 = (dd1 - r2) / d2 if (p1 .le. 0.0) then p1 = 0.0 else p1 = sqrt(p1) end if c if ((dd2 .gt. (d2+r2)) .and. (dd2 .gt. dd1)) p1 = -p1 c if (p1 .ge. 0 .and. p1 .le. 1.0) then xa = p1*ca + x1 ya = p1*cb + y1 za = p1*cg + z1 cyltest = .true. return end if c c point is either on end cap, or missed entirely c 100 continue if (p1 .ge. 1.0) then xa = x2 ya = y2 za = z2 dx = xb - x2 dy = yb - y2 dx2 = dx**2 dy2 = dy**2 else if (p1 .le. 0.0) then xa = x1 ya = y1 za = z1 end if c c Rounded cylinder end if (iand(flag,FLAT) .eq. 0) then if (dx2+dy2 .gt. r2) then cyltest = .false. return else if ( iand(flag,TFI) .eq. TFI) then zb = za - sqrt(r2 - (dx2+dy2)) else zb = za + sqrt(r2 - (dx2+dy2)) end if end if C C Flat cylinder end C else if (cg .eq. 0.) then C zb = -99999. cyltest = .false. return endif zb = (cg*za - ca*dx - cb*dy) / cg if (dx2 + dy2 + (zb-za)**2 .ge. r2) then C zb = -99999. cyltest = .false. return endif if (p1 .ge. 1.0) then xa = xb - (x2 - x1) ya = yb - (y2 - y1) za = zb - (z2 - z1) else if (p1 .le. 0.0) then xa = xb - (x1 - x2) ya = yb - (y1 - y2) za = zb - (z1 - z2) endif end if c if (p1.gt.1.0) p1 = 1.0 if (p1.lt.0.0) p1 = 0.0 axfrac = p1 c cyltest = .true. return end C Bookkeeping for transparency C 5-Mar-2001 C New version that is not limited to 3-deep transparent objects. C On exit: C INDTOP, ZTOP contain the top object so far, and its height C ZHIGH height of top opaque object C subroutine rank( ind, zp, normal, flag ) * implicit NONE integer ind real zp, normal(3) integer*4 flag(1) * integer i,j,k * INTEGER ASSOUT LOGICAL VERBOSE COMMON /ASSCOM/ ASSOUT, VERBOSE * INCLUDE 'parameters.incl' * * Support for transparency COMMON /TRANS/ NTRANSP, INDEPTH, INDTOP, TRANOVFL, ZTOP, ZHIGH, & INDLIST(MAXTRANSP), ZLIST(MAXTRANSP), & NORMLIST(3,MAXTRANSP) INTEGER NTRANSP, INDEPTH, INDTOP, INDLIST, TRANOVFL REAL ZTOP, ZHIGH, ZLIST, NORMLIST * * Bit definitions for FLAG(MAXOBJ) array INTEGER FLAT, RIBBON, SURFACE, PROPS PARAMETER (FLAT=2, RIBBON=4, SURFACE=8, PROPS=16) INTEGER TRANSP, HIDDEN, INSIDE, MOPT1 PARAMETER (TRANSP=32, HIDDEN=64, INSIDE=128,MOPT1=256) INTEGER VCOLS, CLIPPED, VTRANS, BOUNDED PARAMETER (VCOLS=512, CLIPPED=1024, VTRANS=2048, BOUNDED=4096) * * The MOPT1 flag signals an alternative mode of transparency if (iand(flag(ind),mopt1).ne.0) goto 400 * do i = 1, indepth if (zp.gt.zlist(i)) then if (iand(flag(ind),transp).eq.0) then indepth = i zhigh = zp goto 345 else do j = indepth, i, -1 indlist(j+1) = indlist(j) zlist(j+1) = zlist(j) normlist(1,j+1)= normlist(1,j) normlist(2,j+1)= normlist(2,j) normlist(3,j+1)= normlist(3,j) enddo indepth = indepth + 1 goto 344 endif else if (iand(flag(indlist(i)),TRANSP).eq.0) then return endif enddo c If the rest of the list is transparent, add this at the end indepth = indepth + 1 i = indepth c 344 continue if (indepth.ge.MAXTRANSP) then indepth = MAXTRANSP - 1 tranovfl = tranovfl + 1 return endif c 345 continue indlist(i) = ind zlist(i) = zp normlist(1,i) = normal(1) normlist(2,i) = normal(2) normlist(3,i) = normal(3) if (iand(flag(ind),transp).eq.0) zhigh = zp indtop = indlist(1) ztop = zlist(1) return c c MOPT1 version. Same routine, except this time we have the extra c overhead of having to check for duplication of material. 400 continue do i = 1, indepth if (zp.gt.zlist(i)) then if (flag(ind)/65536 .eq. flag(indlist(i))/65536) then goto 345 endif c Handle case where two MOPT1 surfaces have intervening transp obj c In this case overwrite the lower MOPT1 surface do k = i, indepth-1 if (flag(ind)/65536 .eq. flag(indlist(k+1))/65536) & goto 401 enddo if (indepth .ge. MAXTRANSP-1) then tranovfl = tranovfl + 1 else k = indepth indepth = indepth + 1 endif 401 continue do j = k, i, -1 indlist(j+1) = indlist(j) zlist(j+1) = zlist(j) normlist(1,j+1)= normlist(1,j) normlist(2,j+1)= normlist(2,j) normlist(3,j+1)= normlist(3,j) enddo goto 345 else if (iand(flag(indlist(i)),TRANSP).eq.0) then return else if (flag(ind)/65536 .eq. flag(indlist(i))/65536) then return endif enddo c If the rest of the list is transparent, add this at the end indepth = indepth + 1 i = indepth goto 344 c end c SUBROUTINE CHKRGB( RED, GRN, BLU, MESSAGE ) REAL RED, GRN, BLU CHARACTER*(*) MESSAGE CALL ASSERT (RED.GE.0., MESSAGE) CALL ASSERT (GRN.GE.0., MESSAGE) CALL ASSERT (BLU.GE.0., MESSAGE) CALL ASSERT (RED.LE.1., MESSAGE) CALL ASSERT (GRN.LE.1., MESSAGE) CALL ASSERT (BLU.LE.1., MESSAGE) RETURN END FUNCTION FOGGY( DEPTH ) REAL FOGGY, DEPTH COMMON /FOGCOM/ FOGTYPE,FOGFRONT,FOGBACK,FOGDEN,FOGLIM,FOGRGB INTEGER FOGTYPE REAL FOGFRONT, FOGBACK, FOGDEN, FOGLIM(2), FOGRGB(3) REAL FOGDIM c FOGDIM = 0.5 IF (FOGTYPE .EQ. 0) & FOGDIM = FOGDEN * DEPTH / (FOGLIM(2)-FOGLIM(1)) IF (FOGTYPE .GT. 0) & FOGDIM = 1. - EXP(-FOGDEN * DEPTH/(FOGLIM(2)-FOGLIM(1))) FOGDIM = MAX( 0.0, FOGDIM ) FOGDIM = MIN( 1.0, FOGDIM ) FOGGY = FOGDIM RETURN END FUNCTION DET( A ) REAL DET, A(4,4) DET = A(1,1)*A(2,2)*A(3,3) + A(1,2)*A(2,3)*A(3,1) & + A(2,1)*A(3,2)*A(1,3) - A(1,1)*A(2,3)*A(3,2) & - A(3,3)*A(1,2)*A(2,1) - A(1,3)*A(2,2)*A(3,1) RETURN END subroutine liblookup( name, fullname ) c character*(*) name character*132 fullname character*132 R3DLIB c call getenv('R3D_LIB',R3DLIB) c fullname = ' ' len = 0 do i = 1, 132 if (R3DLIB(i:i).ne.' ') len = i enddo if (len.eq.0) then fullname = name return else fullname(1:len) = R3DLIB(1:len) fullname(len+1:len+1) = '/' j = len+2 endif c len = 0 100 continue len = len + 1 if (name(len:len).ne.' ') goto 100 len = len - 1 c fullname(j:j+len-1) = name(1:len) len = j+len-1 c return end C EAM - 21 Feb 2001 Version 2.6 C Test for bounding planes C Returns .FALSE. if the point does not have to be rendered C .TRUE. if the point is to be rendered, in which case C ZP, DX, DY, DZ have been updated if on bounding plane C ZP = height of point being rendered C DX,DY,DZ = surface normal at point (XP,YP,ZP) C BPIND is the object number of the bounding plane C or 0 if the bounding planes don't trigger C FUNCTION INBOUNDS( MAT, TYPE, LIST, DETAIL, & XP,YP,ZP, DX,DY,DZ, ZBACK, BPIND ) IMPLICIT NONE LOGICAL INBOUNDS INTEGER MAT, M, TYPE(1), LIST(1), BPIND REAL DETAIL(1), XP,YP,ZP, DX,DY,DZ, ZBACK c c Object type used for bounding planes (may change) INTEGER INTERNAL PARAMETER (INTERNAL = 4) c REAL BPLANE(3), BPNORM(3) REAL XN,YN,ZN, TEMP INTEGER MIND LOGICAL TESTBACK c INBOUNDS = .FALSE. BPIND = 0 TESTBACK = (ZBACK.NE.ZP) M = MAT DO WHILE (TYPE(M).EQ.INTERNAL) MIND = LIST(M) BPLANE(1) = DETAIL(MIND+3) BPLANE(2) = DETAIL(MIND+4) BPLANE(3) = DETAIL(MIND+5) BPNORM(1) = DETAIL(MIND+6) BPNORM(2) = DETAIL(MIND+7) BPNORM(3) = DETAIL(MIND+8) XN = XP - BPLANE(1) YN = YP - BPLANE(2) ZN = ZP - BPLANE(3) TEMP = XN*BPNORM(1) + YN*BPNORM(2) + ZN*BPNORM(3) IF (TEMP.GT.0) THEN IF (TESTBACK) THEN ZP = ZBACK ZN = ZP - BPLANE(3) TEMP = XN*BPNORM(1) + YN*BPNORM(2) + ZN*BPNORM(3) IF (TEMP.GT.0) RETURN ENDIF DX = BPNORM(1) DY = BPNORM(2) DZ = BPNORM(3) ZP = (XN*DX + YN*DY) / (-DZ) + BPLANE(3) BPIND = M ENDIF M = M + 1 ENDDO INBOUNDS = .TRUE. RETURN END C C Equivalent test for bounding planes in ORTEP mode (only the octant clipped C by all three bounding planes is removed). Only intended for ellipsoids. C This tests the AND (rather than the OR) of multiple bounding planes. C SUBROUTINE ORTEPBOUNDS( MAT, TYPE, LIST, DETAIL, & XP,YP,ZP, DX,DY,DZ, ZBACK, BPIND ) IMPLICIT NONE INTEGER MAT, M, TYPE(1), LIST(1), BPIND REAL DETAIL(1), XP,YP,ZP, DX,DY,DZ, ZBACK c c Object type used for bounding planes (may change) INTEGER INTERNAL PARAMETER (INTERNAL = 4) c REAL BPLANE(3), BPNORM(3) REAL XN,YN,ZN, TEMP, ZMAX, DXMAX, DYMAX, DZMAX INTEGER MIND c M = MAT ZMAX = -1.E10 DXMAX = DX DYMAX = DY DZMAX = DZ DO WHILE (TYPE(M).EQ.INTERNAL) MIND = LIST(M) BPLANE(1) = DETAIL(MIND+3) BPLANE(2) = DETAIL(MIND+4) BPLANE(3) = DETAIL(MIND+5) BPNORM(1) = DETAIL(MIND+6) BPNORM(2) = DETAIL(MIND+7) BPNORM(3) = DETAIL(MIND+8) XN = XP - BPLANE(1) YN = YP - BPLANE(2) ZN = ZP - BPLANE(3) TEMP = XN*BPNORM(1) + YN*BPNORM(2) + ZN*BPNORM(3) IF (TEMP.LT.0) THEN BPIND = 0 RETURN ENDIF TEMP = (XN*BPNORM(1)+YN*BPNORM(2)) / (-BPNORM(3)) + BPLANE(3) IF (TEMP.GT.ZMAX) THEN ZMAX = TEMP DXMAX = BPNORM(1) DYMAX = BPNORM(2) DZMAX = BPNORM(3) BPIND = M ENDIF M = M + 1 ENDDO ZP = ZMAX DX = DXMAX DY = DYMAX DZ = DZMAX CALL ASSERT(DZ.GT.0,'ORTEP bounds incorrectly initialized') RETURN END SUBROUTINE GET_TRY(NOLD, NNEW, TRY, DIMENS) * * NOLD = old memory allocation * NNEW = new memory allocation needed * TRY = new memory allocations beyond that needed to be attempted, * so that we don't have to expand the array too often. * DIMENS = number of dimensions to be expanded (1 to 3) * * For DIMENS=1: if the new allocation is less than twice the old * try to double the old allocation; otherwise add 50% to the new. * If that fails, add 50% to the old or 25% of the new; * If that fails, just try the new, then give up. * * For DIMENS = 2, expand by the square root of 2, 1.5 or 1.25 * for the same effect on total memory in 2-D arrays where bot * dimensions are expanded. * For DIMENS = 3 (not currently used) use the cube root. * INTEGER NOLD, NNEW, TRY(3), N, DIMENS REAL RATIO(3, 3) DATA RATIO / 2.0, 1.5, 1.25, & 1.41, 1.22, 1.12, & 1.26, 1.14, 1.07 / N = INT( FLOAT(NOLD) * RATIO(1, DIMENS) ) if (NNEW.LT.N) THEN TRY(1) = N N = INT( FLOAT(NOLD) * RATIO(2, DIMENS) ) if (NNEW.LT.N) THEN TRY(2) = N else TRY(2) = INT( FLOAT(NNEW) * RATIO(3, DIMENS) ) ENDIF else TRY(1) = INT( FLOAT(NNEW) * RATIO(2, DIMENS) ) TRY(2) = INT( FLOAT(NNEW) * RATIO(3, DIMENS) ) endif TRY(3) = NNEW RETURN END Raster3D_3.0-2/./render_patch.aix0000664000471100047110000000151711327673235016477 0ustar merrittmerritt323c323 < PARAMETER (INPUT0=5, NOISE=0, LUNIT=4) --- > PARAMETER (INPUT0=5, NOISE=0, LUNIT=9) 659c659 < OPEN (UNIT=INPUT+1,ERR=101,STATUS='OLD',FILE=TITLE(J:K)) --- > OPEN (UNIT=INPUT-1,ERR=101,STATUS='OLD',FILE=TITLE(J:K)) 661c661 < INPUT = INPUT + 1 --- > INPUT = INPUT - 1 1105d1104 < & DISPOSE='DELETE', 1111c1110 < OPEN (UNIT=INPUT+1,ERR=71,STATUS='OLD', --- > OPEN (UNIT=INPUT-1,ERR=71,STATUS='OLD', 1122c1121 < OPEN (UNIT=INPUT+1,ERR=73,STATUS='OLD',FILE=FULLNAME) --- > OPEN (UNIT=INPUT-1,ERR=73,STATUS='OLD',FILE=FULLNAME) 1128,1129c1127,1128 < INPUT = INPUT + 1 < CALL ASSERT(INPUT-INPUT0.LE.MAXLEV, --- > INPUT = INPUT - 1 > CALL ASSERT(INPUT0-INPUT.LE.4, 2307c2306 < IF (INPUT.GT.INPUT0) THEN --- > IF (INPUT.LT.INPUT0) THEN 2310c2309 < INPUT = INPUT - 1 --- > INPUT = INPUT + 1 Raster3D_3.0-2/./avs2ps.c0000664000471100047110000002614711327700326014716 0ustar merrittmerritt/* * Filter routine to convert a 24-bit color AVS file on stdin * to a dithered monochrome PostScript file on stdout. * The intended use is to produce black&white pictures from Raster3D, * but I see no reason it shouldn't work with any other AVS input file. * Ethan A Merritt - Aug 1994 */ #include #include #include #include #include #include #ifdef WIN32 #define random rand #endif /* * I added a lookup table for warping, since calculating it on the fly * was taking about 20% of the CPU time on a DECstation 5000. * If you want to play with the warp function, just replace the following * define with define warp(pixval) warpf(pixval) * and edit the function warpf() at the end of this file. */ #define warp(pixval) warpm[pixval] #define NO (0) #define YES (1) int main(argc,argv) int argc; char *argv[]; { int xsize, ysize; int i, j; float red, green, blue, alpha; extern float warpf(); extern float warpm[]; extern void dither(); float *inbuf1, *inbuf2, *tbuf; int *index; int *done; unsigned char *obuf1, *out1; unsigned char obyte; float pixinch = 300; /* default to 300dpi printer resolution */ int bflag = NO; /* default to no border around image */ int usagerr = NO; int ny, nx, nb; float x_origin, y_origin, x_scale, y_scale; time_t date; /* Command line options */ for (i=1; i outfile.ps\n"); exit(-1); } /* Read in size of image from first two words on input stream */ xsize = getw( stdin ); ysize = getw( stdin ); #ifdef NETWORKBYTEORDER xsize = htonl(xsize); ysize = htonl(ysize); #endif /* Allocate input buffers accordingly */ inbuf1 = (float *)calloc( xsize, sizeof(float) ); inbuf2 = (float *)calloc( xsize, sizeof(float) ); if (inbuf1 == NULL || inbuf2 == NULL) exit(-1); /* Allocate output buffer too */ nb = (xsize+7) / 8; nx = nb * 8; ny = ysize; obuf1 = (unsigned char *)calloc( nx, sizeof(char) ); if (obuf1 == NULL) exit(-1); /* Allocate bookkeeping arrays */ index = (int *)calloc( xsize, sizeof(int) ); done = (int *)calloc( xsize+2, sizeof(int) ); if (index == NULL || done == NULL) exit(-1); done++ ; /* write header of PostScript file */ x_origin = 36.0; y_origin = 36.0; x_scale = 72.0 * xsize / pixinch; y_scale = 72.0 * ysize / pixinch; date = time(0); printf ("%%!PS-Adobe-2.0\n"); printf ("%%%%Title: Raster3d picture dithered to monochrome\n"); printf ("%%%%Creator: %s using avs2ps V2.5\n", (char *)getenv("USER")); printf ("%%%%CreationDate: %s", ctime(&date)); printf ("%%%%BoundingBox: %d %d %d %d\n", (int)x_origin, (int)y_origin, (int)(x_origin + x_scale + 1.0), (int)(y_origin + y_scale + 1.0)); printf ("%%%%Requirements: resolution(%d,%d)\n",(int)pixinch,(int)pixinch); printf ("%%%%EndComments\n"); printf ("initgraphics\n"); printf ("/picstr %d string def\n", nb); printf ("gsave\n"); printf ("%f %f translate\n", x_origin, (y_origin + y_scale)); printf ("%f %f scale\n", x_scale, -y_scale); printf ("%d %d 1\n", nx, ny); printf ("[%d 0 0 %d 0 0]\n", nx, ny); printf ("{ currentfile picstr readhexstring pop }\n"); printf ("image\n"); /* Read in first row of image, converting to greyscale image as we go */ for (i=0; i 0.5) pixels[k] = 1, error = line1[k] - 1.0 ; else pixels[k] = 0, error = line1[k] - 0.0 ; if (fabs(error) < 1.e-9) continue ; for (j=0; j<5; j++) propag[j] = avail[iavail][j] * error ; if (k > 0) { line1[k-1] = line1[k-1] + propag[0] ; line2[k-1] = line2[k-1] + propag[1] ; } line2[k] = line2[k] + propag[2] ; if (k < nx-1) { line1[k+1] = line1[k+1] + propag[3] ; line2[k+1] = line2[k+1] + propag[4] ; } } } /* * This is the warping function which hdither.f was using. * It's computationally expensive (applied 3 times per pixel), * so I dumped it into a lookup table for speed. */ float warpf( rgbval ) unsigned char rgbval; { float temp; temp = (float)rgbval / 255. ; temp = (((0.533 * temp) - 1.657) * temp + 2.124) * temp ; temp *= 1.01; /* Used to be 1.10 */ temp = (temp < 0.) ? 0. : (temp > 1.) ? 1. : temp * temp ; return( temp ); } float warpm[256] = { 0.000000, 0.000070, 0.000280, 0.000625, 0.001105, 0.001716, 0.002456, 0.003322, 0.004313, 0.005425, 0.006656, 0.008005, 0.009468, 0.011043, 0.012729, 0.014522, 0.016422, 0.018425, 0.020529, 0.022732, 0.025033, 0.027429, 0.029918, 0.032498, 0.035167, 0.037923, 0.040765, 0.043689, 0.046695, 0.049780, 0.052943, 0.056182, 0.059495, 0.062880, 0.066335, 0.069859, 0.073450, 0.077106, 0.080826, 0.084608, 0.088451, 0.092352, 0.096310, 0.100324, 0.104392, 0.108512, 0.112684, 0.116905, 0.121175, 0.125491, 0.129852, 0.134258, 0.138706, 0.143195, 0.147724, 0.152291, 0.156896, 0.161537, 0.166212, 0.170921, 0.175662, 0.180434, 0.185236, 0.190067, 0.194926, 0.199810, 0.204721, 0.209655, 0.214613, 0.219592, 0.224593, 0.229614, 0.234653, 0.239711, 0.244786, 0.249877, 0.254983, 0.260104, 0.265237, 0.270383, 0.275541, 0.280710, 0.285888, 0.291075, 0.296271, 0.301473, 0.306683, 0.311898, 0.317119, 0.322343, 0.327572, 0.332803, 0.338036, 0.343271, 0.348507, 0.353743, 0.358979, 0.364213, 0.369446, 0.374676, 0.379904, 0.385128, 0.390347, 0.395563, 0.400773, 0.405977, 0.411175, 0.416367, 0.421551, 0.426728, 0.431896, 0.437056, 0.442207, 0.447348, 0.452479, 0.457600, 0.462711, 0.467810, 0.472897, 0.477973, 0.483037, 0.488087, 0.493125, 0.498150, 0.503161, 0.508159, 0.513142, 0.518110, 0.523064, 0.528003, 0.532927, 0.537835, 0.542728, 0.547604, 0.552464, 0.557308, 0.562136, 0.566946, 0.571739, 0.576516, 0.581275, 0.586016, 0.590740, 0.595446, 0.600134, 0.604804, 0.609456, 0.614089, 0.618705, 0.623301, 0.627880, 0.632439, 0.636980, 0.641502, 0.646005, 0.650489, 0.654955, 0.659401, 0.663828, 0.668237, 0.672626, 0.676996, 0.681347, 0.685680, 0.689993, 0.694287, 0.698562, 0.702818, 0.707055, 0.711273, 0.715473, 0.719654, 0.723815, 0.727959, 0.732083, 0.736190, 0.740277, 0.744347, 0.748398, 0.752431, 0.756446, 0.760443, 0.764422, 0.768383, 0.772327, 0.776254, 0.780163, 0.784055, 0.787930, 0.791788, 0.795629, 0.799454, 0.803262, 0.807054, 0.810830, 0.814590, 0.818335, 0.822064, 0.825777, 0.829476, 0.833159, 0.836828, 0.840482, 0.844122, 0.847748, 0.851360, 0.854958, 0.858543, 0.862114, 0.865673, 0.869219, 0.872752, 0.876273, 0.879782, 0.883280, 0.886766, 0.890240, 0.893704, 0.897157, 0.900599, 0.904032, 0.907454, 0.910867, 0.914270, 0.917665, 0.921051, 0.924428, 0.927797, 0.931158, 0.934512, 0.937858, 0.941197, 0.944530, 0.947856, 0.951177, 0.954491, 0.957801, 0.961105, 0.964404, 0.967699, 0.970990, 0.974277, 0.977561, 0.980842, 0.984120, 0.987396, 0.990669, 0.993941, 0.997212, 1.000000, 1.000000, 1.000000, 1.000000, 1.000000, 1.000000, 1.000000 }; Raster3D_3.0-2/./parameters.incl0000664000471100047110000000605111502464503016335 0ustar merrittmerritt* $$$$$$$$$$$$$ ARRAY SIZE LIMITS START HERE $$$$$$$$$$$$$$ * * Maximum size for dynamic (allocatable) arrays. * The values MAXNTX * MAXNTY, MAXNPX * MAXNPY, MAXOBJ, MAXDET, * MAXSDT, MAXSHR, MAXSSL, and MAXGLOWS below are initial sizes, * which can be expanded to this limit as needed. INTEGER MAXMEM PARAMETER (MAXMEM = 600000000) * * Maximum number of tiles INTEGER MAXNTX, MAXNTY PARAMETER (MAXNTX = 256, MAXNTY = 256) * * Number of shadow tiles *** (One of these can fail to be enough when the aspect ratio is *** extreme or when the model is far from being "centred" near z=0. *** Keep them well ahead of MAXNTX, MAXNTY to be on the safe side) *** EAM - Allow soft failure and monitor required values in NSXMAX,NSYMAX INTEGER NSX, NSY PARAMETER (NSX = 360, NSY = 360) * * Maximum number of pixels per tile INTEGER MAXNPX, MAXNPY PARAMETER (MAXNPX = 32, MAXNPY = 32) * * Maximum number of objects INTEGER MAXOBJ *** PARAMETER (MAXOBJ = 7500) PARAMETER (MAXOBJ = 200000) * * Array elements available for object details * Should be roughly 10*MAXOBJ INTEGER MAXDET, MAXSDT *** PARAMETER (MAXDET = 150 000, MAXSDT = 150 000) PARAMETER (MAXDET = 2 000 000, MAXSDT = 2 000 000) * * Array elements available for sorted lists ("short" lists) * Increased requirements as more objects are stacked behind each other INTEGER MAXSHR, MAXSSL *** PARAMETER (MAXSHR = 150 000, MAXSSL = 150 000) PARAMETER (MAXSHR = 4 000 000, MAXSSL = 2 000 000) * * Maximum number of MATERIAL definitions (object type 8) INTEGER MAXMAT PARAMETER (MAXMAT = 250) * * Maximum number of stacked transparent objects at any single pixel * (any further further stacking is ignored) INTEGER MAXTRANSP PARAMETER (MAXTRANSP=25) * * Maximum number of non-shadowing lights (object type 13) INTEGER MAXGLOWS PARAMETER (MAXGLOWS = 10) * * Maximum levels of file indirection in input stream INTEGER MAXLEV PARAMETER (MAXLEV = 10) * * $$$$$$$$$$$$$$$$$ END OF LIMITS $$$$$$$$$$$$$$$$$$$$$$$ * * Other possibly platform-dependent stuff REAL HUGE PARAMETER (HUGE = 1.0e37) * Slop is related to the accuracy (in pixels) to which we must predict * shadow edges. Too low a value causes whole triangles to be spuriously * in shadow; too high a value may cause shadows to be missed altogether. * Perfect accuracy in floating point calculations would allow SLOP << 1. REAL SLOP PARAMETER (SLOP= 0.35) * Edgeslop is similarly a kludge for dealing with triangles whose explicit * normals describe wrapping around from front-facing to back-facing. REAL EDGESLOP PARAMETER (EDGESLOP = 0.25) * Ribbonslop is a kludge so that distortion due to perspective doesn't * prevent us from identifying ribbon triangles REAL RIBBONSLOP PARAMETER (RIBBONSLOP = 0.001)