XPLOR-NIH version 2.9.5 C.D. Schwieters, J.J. Kuszewski, based on X-PLOR 3.851 by A.T. Brunger N. Tjandra, and G.M. Clore J. Magn. Res., 160, 66-74 (2003). http://nmr.cit.nih.gov/xplor-nih User: [unknown] on: x86/Linux at: 04-Jun-04 10:28:12 X-PLOR>remarks TESTSEL2.INP X-PLOR>remarks Test for atom and tag selection using X-PLOR>remarks the recursive selection routine SELRPN X-PLOR>remarks ++++++++++++++++++++++++++++++++++++++ X-PLOR>remarks Axel Brunger, Cambridge, March 1983 X-PLOR> X-PLOR>rtf @TOPPAR:toph11.pro @TOPPAR:toph11.wat end ASSFIL: file /home/schwitrs/xplor/toppar/toph11.pro opened. RTFRDR>REMARKS TOPH11.PRO ( from TOPH10.INP) RTFRDR>REMARKS ============================= RTFRDR>REMARKS Charges and atom order modified for neutral GROUPs. RTFRDR>REMARKS Histidine charges set to Del Bene and Cohen sto-3g calculations. RTFRDR>REMARKS Amide charges set to match the experimental dipole moment. RTFRDR>REMARKS DNA/RNA atoms appended . RTFRDR>REMARKS few atoms never referenced switched off. RTFRDR>REMARKS Default for HIStidines is the doubly protonated state RTFRDR> RTFRDR>set echo=false end RTFRDR> @TOPPAR:toph11.wat end ASSFIL: file /home/schwitrs/xplor/toppar/toph11.wat opened. RTFRDR>remarks TOPH11.WAT RTFRDR>remarks ========== RTFRDR>remarks topology file for water RTFRDR>remarks available: TIP3P model RTFRDR> RTFRDR>set echo=false end RTFRDR> end X-PLOR>parameter @TOPPAR:param11.pro @TOPPAR:param11.wat end ASSFIL: file /home/schwitrs/xplor/toppar/param11.pro opened. PARRDR>REMARKS PARAM11.PRO ( from PARAM6A ) PARRDR>REMARKS =========== PARRDR>REMARKS PROTEIN PARAMETERS: PARRDR>REMARKS PEPTIDE GEOMETRY FROM RAMACHANDRAN ET AL BBA 359:298 (1974) PARRDR>REMARKS TORSIONS FROM HAGLER ET AL JACS 98:4600 (1976) PARRDR>REMARKS LENNARD-JONES NONBONDED PARAMETERS WITH SPECIAL TREATMENT OF 1:4 PARRDR>REMARKS CARBON-CARBON INTERACTIONS: JORGENSON ET. AL. PARRDR>REMARKS JACS 103:3976-3985 WITH 1-4 RC=1.80/0.1 PARRDR>REMARKS PARRDR>set echo=false end PARRDR> @TOPPAR:param11.wat end ASSFIL: file /home/schwitrs/xplor/toppar/param11.wat opened. PARRDR>remarks PARAM11.WAT (water parameters) PARRDR>remarks =========== PARRDR>remarks available: TIPS3P model PARRDR>set echo=false end PARRDR> end X-PLOR> X-PLOR>segment SEGMENT> name=m1 SEGMENT> chain CHAIN> @TOPPAR:toph11.pep ASSFIL: file /home/schwitrs/xplor/toppar/toph11.pep opened. CHAIN>REMARKS TOPH11-MACRO for protein sequence CHAIN>SET ECHO=FALSE END CHAIN> sequence ARG PRO ASP PHE CYS LEU end MAPIC: Atom numbers being modified MAPIC: Atom numbers being modified CHAIN> end SEGMENT>end SEGMNT: 6 residues were inserted into segment "M1 " XPLOR: current counts (number in parenthesis is maximum) NATOM= 64(MAXA= 200) NBOND= 65(MAXB= 100) NTHETA= 93(MAXT= 100) NGRP= 22(MAXGRP= 100) NPHI= 39(MAXP= 100) NIMPHI= 28(MAXIMP= 100) NDON= 12(MAXPAD= 100) NACC= 9(MAXPAD= 100) NNB= 3(MAXNB= 100) X-PLOR> X-PLOR>segment SEGMENT> name=m2 SEGMENT> chain CHAIN> @TOPPAR:toph11.pep ASSFIL: file /home/schwitrs/xplor/toppar/toph11.pep opened. CHAIN>REMARKS TOPH11-MACRO for protein sequence CHAIN>SET ECHO=FALSE END CHAIN> { READ SEQUENCE FOR m2 DIRECTLY } CHAIN> sequence cys end MAPIC: Atom numbers being modified MAPIC: Atom numbers being modified CHAIN> end SEGMENT>end SEGMNT: 1 residues were inserted into segment "M2 " XPLOR: current counts (number in parenthesis is maximum) NATOM= 74(MAXA= 200) NBOND= 74(MAXB= 100) NTHETA= 106(MAXT= 200) NGRP= 25(MAXGRP= 100) NPHI= 44(MAXP= 100) NIMPHI= 30(MAXIMP= 100) NDON= 15(MAXPAD= 100) NACC= 11(MAXPAD= 100) NNB= 3(MAXNB= 100) X-PLOR> X-PLOR> X-PLOR>patch disu reference 1 ( atom m1 5 * ) reference 2 ( atom m2 1 * ) end SELRPN: 7 atoms have been selected out of 74 SELRPN: 10 atoms have been selected out of 74 MAPIC: Atom numbers being modified XPLOR: current counts (number in parenthesis is maximum) NATOM= 74(MAXA= 200) NBOND= 75(MAXB= 100) NTHETA= 108(MAXT= 200) NGRP= 25(MAXGRP= 100) NPHI= 47(MAXP= 100) NIMPHI= 30(MAXIMP= 100) NDON= 15(MAXPAD= 100) NACC= 11(MAXPAD= 100) NNB= 3(MAXNB= 100) X-PLOR> X-PLOR>segment SEGMENT> name=solv SEGMENT> molecule name=TIP3 number=1 end SEGMENT>end SEGMNT: 1 residues were inserted into segment "SOLV" XPLOR: current counts (number in parenthesis is maximum) NATOM= 77(MAXA= 200) NBOND= 77(MAXB= 100) NTHETA= 109(MAXT= 200) NGRP= 26(MAXGRP= 100) NPHI= 47(MAXP= 100) NIMPHI= 30(MAXIMP= 100) NDON= 15(MAXPAD= 100) NACC= 11(MAXPAD= 100) NNB= 3(MAXNB= 100) X-PLOR> X-PLOR>! X-PLOR>!check error handling X-PLOR>! X-PLOR>cons fix=( atom m1 1 * end %SELRPN-ERR: selection has to end with a ")": cons fix=( atom m1 1 * end ^^^ SELRPN: 19 atoms have been selected out of 77 X-PLOR>cons fix=( atom m1 1 ) end %SELRPN-ERR: selection has to end with a ")": cons fix=( atom m1 1 ) end ^^^ SELRPN: 0 atoms have been selected out of 77 X-PLOR>cons fix=( atom m1 1 * around 2.0 ) end %SELRPN-AROUnd-ERR: some atom coordinates unknown SELRPN: 0 atoms have been selected out of 77 X-PLOR>cons fix=( known ) fix=? end SELRPN: 0 atoms have been selected out of 77 The following atoms are currently set: SELRPN: 0 atoms have been selected out of 77 X-PLOR>! X-PLOR>coor COOR> remarks PTI COORDINATE FILE COOR> remarks TEST FOR ATOM AND TAG SELECTION USING COOR> remarks THE RECURSIVE SELECTION ROUTINE SELRPN COOR> COOR> natom 77 COOR> 1 1 ARG HT1 27.07708 26.62859 -3.07630 M1 1 0.00000 X-PLOR> X-PLOR>! X-PLOR>cons fix=( not known ) end SELRPN: 0 atoms have been selected out of 77 X-PLOR>cons fix=(atom m1 1 ht1 or atom %2 1 * ) fix=? end SELRPN: 11 atoms have been selected out of 77 The following atoms are currently set: M1 1 ARG HT1 M2 1 CYS HT1 HT2 N HT3 CA CB SG C OT1 OT2 SELRPN: 11 atoms have been selected out of 77 X-PLOR>display $select 11 X-PLOR>cons fix=( (resn ARG and type C) or (resn PHE and name H )) fix=? end SELRPN: 2 atoms have been selected out of 77 The following atoms are currently set: M1 1 ARG C M1 4 PHE H SELRPN: 2 atoms have been selected out of 77 X-PLOR>cons fix=(resn ARG : ASP ) fix=? end SELRPN: 28 atoms have been selected out of 77 The following atoms are currently set: M1 1 ARG HT1 HT2 N HT3 CA CB CG CD NE HE CZ NH1 HH11 HH12 NH2 HH21 HH22 C O M1 3 ASP N H CA CB CG OD1 OD2 C O SELRPN: 28 atoms have been selected out of 77 X-PLOR>cons fix=((resid 1) and (type C*) ) fix=? end SELRPN: 9 atoms have been selected out of 77 The following atoms are currently set: M1 1 ARG CA CB CG CD CZ C M2 1 CYS CA CB C SELRPN: 9 atoms have been selected out of 77 X-PLOR>cons fix=((id 2 : 9) and not id 7 ) fix=? end SELRPN: 7 atoms have been selected out of 77 The following atoms are currently set: M1 1 ARG HT2 N HT3 CA CB CD NE SELRPN: 7 atoms have been selected out of 77 X-PLOR>cons fix=( atom M1 2 C around 3.0 ) fix=? end SELRPN: 11 atoms have been selected out of 77 The following atoms are currently set: M1 1 ARG O M1 2 PRO N CA CB C O M1 3 ASP N H CA M1 4 PHE H M1 5 CYS H SELRPN: 11 atoms have been selected out of 77 X-PLOR>cons fix=( byres (atom M1 2 C around 3.0) ) fix=? end SELRPN: 54 atoms have been selected out of 77 The following atoms are currently set: M1 1 ARG HT1 HT2 N HT3 CA CB CG CD NE HE CZ NH1 HH11 HH12 NH2 HH21 HH22 C O M1 2 PRO N CD CA CB CG C O M1 3 ASP N H CA CB CG OD1 OD2 C O M1 4 PHE N H CA CB CG CD1 CD2 CE1 CE2 CZ C O M1 5 CYS N H CA CB SG C O SELRPN: 54 atoms have been selected out of 77 X-PLOR>cons fix=((atom M1 2 C or atom M1 3 H) around 0.5 ) fix=? end SELRPN: 2 atoms have been selected out of 77 The following atoms are currently set: M1 2 PRO C M1 3 ASP H SELRPN: 2 atoms have been selected out of 77 X-PLOR>cons fix=( point=(2.0 3.0 4.0) cut 35.0 ) fix=? end SELRPN: 73 atoms have been selected out of 77 The following atoms are currently set: M1 1 ARG CA CB CG CD NE HE CZ NH1 HH11 HH12 NH2 HH21 HH22 C O M1 2 PRO N CD CA CB CG C O M1 3 ASP N H CA CB CG OD1 OD2 C O M1 4 PHE N H CA CB CG CD1 CD2 CE1 CE2 CZ C O M1 5 CYS N H CA CB SG C O M1 6 LEU N H CA CB CG CD1 CD2 C OT1 OT2 M2 1 CYS HT1 HT2 N HT3 CA CB SG C OT1 OT2 SOLV 1 TIP3 OH2 H1 H2 SELRPN: 73 atoms have been selected out of 77 X-PLOR>cons fix=(hydrogen ) fix=? end SELRPN: 17 atoms have been selected out of 77 The following atoms are currently set: M1 1 ARG HT1 HT2 HT3 HE HH11 HH12 HH21 HH22 M1 3 ASP H M1 4 PHE H M1 5 CYS H M1 6 LEU H M2 1 CYS HT1 HT2 HT3 SOLV 1 TIP3 H1 H2 SELRPN: 17 atoms have been selected out of 77 X-PLOR>cons fix=(chemical CH2E ) fix=? end SELRPN: 11 atoms have been selected out of 77 The following atoms are currently set: M1 1 ARG CB CG CD M1 2 PRO CD CB CG M1 3 ASP CB M1 4 PHE CB M1 5 CYS CB M1 6 LEU CB M2 1 CYS CB SELRPN: 11 atoms have been selected out of 77 X-PLOR>cons fix=( user) end %USRSEL-ERR: NO USER SELECTION ROUTINE PRESENT. SELRPN: 11 atoms have been selected out of 77 X-PLOR>cons fix=( bygroup ( type NH* and resname ARG ) ) fix=? end SELRPN: 6 atoms have been selected out of 77 The following atoms are currently set: M1 1 ARG NH1 HH11 HH12 NH2 HH21 HH22 SELRPN: 6 atoms have been selected out of 77 X-PLOR>cons fix=( not all ) end SELRPN: 0 atoms have been selected out of 77 X-PLOR>display $select 0 X-PLOR> X-PLOR>vector ident ( store1 ) ( bygroup ( type NH* and resname ARG ) ) SELRPN: 6 atoms have been selected out of 77 X-PLOR>vector show sum ( charge ) ( bygroup ( type NH* and resname ARG ) ) SELRPN: 6 atoms have been selected out of 77 VECTOR: sum over selected elements = 0.500000 X-PLOR>vector show sum ( charge ) ( store1 ) SELRPN: 6 atoms have been selected out of 77 VECTOR: sum over selected elements = 0.500000 X-PLOR>vector show sum ( charge ) ( attribute store1 = 1 ) SELRPN: 0 atoms have been selected out of 77 VECTOR: zero atoms selected X-PLOR>vector ident ( store2 ) ( id 2 ) SELRPN: 1 atoms have been selected out of 77 X-PLOR>vector show sum ( charge ) ( id 2 ) SELRPN: 1 atoms have been selected out of 77 VECTOR: sum over selected elements = 0.260000 X-PLOR>vector show sum ( charge ) ( store2 ) SELRPN: 1 atoms have been selected out of 77 VECTOR: sum over selected elements = 0.260000 X-PLOR>vector show sum ( charge ) ( attribute store2 = 1 ) SELRPN: 0 atoms have been selected out of 77 VECTOR: zero atoms selected X-PLOR>vector ident ( store9 ) ( id 9 ) SELRPN: 1 atoms have been selected out of 77 X-PLOR>vector show sum ( charge ) ( id 9 ) SELRPN: 1 atoms have been selected out of 77 VECTOR: sum over selected elements = -0.350000 X-PLOR>vector show sum ( charge ) ( store9 ) SELRPN: 1 atoms have been selected out of 77 VECTOR: sum over selected elements = -0.350000 X-PLOR>vector show sum ( charge ) ( attribute store9 = 1 ) SELRPN: 0 atoms have been selected out of 77 VECTOR: zero atoms selected X-PLOR>display $select $result 0 0 X-PLOR> X-PLOR>vector show elem ( name ) ( bondedto name N* ) SELRPN: 30 atoms have been selected out of 77 ( M1 ARG 1 HT1 ) HT1 ( M1 ARG 1 HT2 ) HT2 ( M1 ARG 1 HT3 ) HT3 ( M1 ARG 1 CA ) CA ( M1 ARG 1 CD ) CD ( M1 ARG 1 HE ) HE ( M1 ARG 1 CZ ) CZ ( M1 ARG 1 HH11 ) HH11 ( M1 ARG 1 HH12 ) HH12 ( M1 ARG 1 HH21 ) HH21 ( M1 ARG 1 HH22 ) HH22 ( M1 ARG 1 C ) C ( M1 PRO 2 CD ) CD ( M1 PRO 2 CA ) CA ( M1 PRO 2 C ) C ( M1 ASP 3 H ) H ( M1 ASP 3 CA ) CA ( M1 ASP 3 C ) C ( M1 PHE 4 H ) H ( M1 PHE 4 CA ) CA ( M1 PHE 4 C ) C ( M1 CYS 5 H ) H ( M1 CYS 5 CA ) CA ( M1 CYS 5 C ) C ( M1 LEU 6 H ) H ( M1 LEU 6 CA ) CA ( M2 CYS 1 HT1 ) HT1 ( M2 CYS 1 HT2 ) HT2 ( M2 CYS 1 HT3 ) HT3 ( M2 CYS 1 CA ) CA X-PLOR>vector show elem ( name ) ( bondedto ( resid 5 and name SG ) ) SELRPN: 2 atoms have been selected out of 77 ( M1 CYS 5 CB ) CB ( M2 CYS 1 SG ) SG X-PLOR>{* test atom attribute selection *} X-PLOR>{* ============================= *} X-PLOR>vector show element ( mass ) ( attribute mass gt 30.0 ) SELRPN: 2 atoms have been selected out of 77 ( M1 CYS 5 SG ) 32.060 ( M2 CYS 1 SG ) 32.060 X-PLOR> X-PLOR>vector show element ( charge ) ( attribute charge eq 0.1 ) SELRPN: 6 atoms have been selected out of 77 ( M1 PRO 2 CD ) 0.10000 ( M1 PRO 2 CA ) 0.10000 ( M1 ASP 3 CA ) 0.10000 ( M1 PHE 4 CA ) 0.10000 ( M1 CYS 5 CA ) 0.10000 ( M1 LEU 6 CA ) 0.10000 X-PLOR>vector show max ( charge ) ( attribute charge lt 0.1 ) SELRPN: 40 atoms have been selected out of 77 VECTOR: maximum of selected elements = 0.000000 X-PLOR>vector show max ( charge ) ( attribute charge gt 0.1 ) SELRPN: 31 atoms have been selected out of 77 VECTOR: maximum of selected elements = 0.460000 X-PLOR>vector show max ( charge ) ( attribute charge le 0.1 ) SELRPN: 46 atoms have been selected out of 77 VECTOR: maximum of selected elements = 0.100000 X-PLOR>vector show max ( charge ) ( attribute charge ge 0.1 ) SELRPN: 37 atoms have been selected out of 77 VECTOR: maximum of selected elements = 0.460000 X-PLOR> X-PLOR>vector do ( b = 3.0 ) ( name cb ) SELRPN: 7 atoms have been selected out of 77 X-PLOR>vector show element ( b ) ( attribute b eq 3.0 ) SELRPN: 7 atoms have been selected out of 77 ( M1 ARG 1 CB ) 3.0000 ( M1 PRO 2 CB ) 3.0000 ( M1 ASP 3 CB ) 3.0000 ( M1 PHE 4 CB ) 3.0000 ( M1 CYS 5 CB ) 3.0000 ( M1 LEU 6 CB ) 3.0000 ( M2 CYS 1 CB ) 3.0000 X-PLOR>vector do ( bcomp = 4.0 ) ( name cb ) SELRPN: 7 atoms have been selected out of 77 X-PLOR>vector show element ( bcomp ) ( attribute bcomp eq 4.0 ) SELRPN: 7 atoms have been selected out of 77 ( M1 ARG 1 CB ) 4.0000 ( M1 PRO 2 CB ) 4.0000 ( M1 ASP 3 CB ) 4.0000 ( M1 PHE 4 CB ) 4.0000 ( M1 CYS 5 CB ) 4.0000 ( M1 LEU 6 CB ) 4.0000 ( M2 CYS 1 CB ) 4.0000 X-PLOR>vector do ( harm = 5.0 ) ( name cb ) SELRPN: 7 atoms have been selected out of 77 X-PLOR>vector show element ( const ) ( attribute harm eq 5.0 ) SELRPN: 7 atoms have been selected out of 77 ( M1 ARG 1 CB ) 5.0000 ( M1 PRO 2 CB ) 5.0000 ( M1 ASP 3 CB ) 5.0000 ( M1 PHE 4 CB ) 5.0000 ( M1 CYS 5 CB ) 5.0000 ( M1 LEU 6 CB ) 5.0000 ( M2 CYS 1 CB ) 5.0000 X-PLOR> X-PLOR> X-PLOR>{* NOW TEST THE LOOP OVER ATOM ID'S *} X-PLOR>{* ================================ *} X-PLOR> X-PLOR>for $1 in id ( resid 1 ) loop main SELRPN: 32 atoms have been selected out of 77 FOR ID LOOP: symbol 1 set to 1.00000 (real) X-PLOR> vector show element ( charge ) ( id $1 ) SELRPN: 1 atoms have been selected out of 77 ( M1 ARG 1 HT1 ) 0.26000 X-PLOR>end loop main X-PLOR>for $1 in id ( resid 1 ) loop main FOR ID LOOP: symbol 1 set to 2.00000 (real) X-PLOR> vector show element ( charge ) ( id $1 ) SELRPN: 1 atoms have been selected out of 77 ( M1 ARG 1 HT2 ) 0.26000 X-PLOR>end loop main X-PLOR>for $1 in id ( resid 1 ) loop main FOR ID LOOP: symbol 1 set to 3.00000 (real) X-PLOR> vector show element ( charge ) ( id $1 ) SELRPN: 1 atoms have been selected out of 77 ( M1 ARG 1 N ) 0.0000 X-PLOR>end loop main X-PLOR>for $1 in id ( resid 1 ) loop main FOR ID LOOP: symbol 1 set to 4.00000 (real) X-PLOR> vector show element ( charge ) ( id $1 ) SELRPN: 1 atoms have been selected out of 77 ( M1 ARG 1 HT3 ) 0.26000 X-PLOR>end loop main X-PLOR>for $1 in id ( resid 1 ) loop main FOR ID LOOP: symbol 1 set to 5.00000 (real) X-PLOR> vector show element ( charge ) ( id $1 ) SELRPN: 1 atoms have been selected out of 77 ( M1 ARG 1 CA ) 0.22000 X-PLOR>end loop main X-PLOR>for $1 in id ( resid 1 ) loop main FOR ID LOOP: symbol 1 set to 6.00000 (real) X-PLOR> vector show element ( charge ) ( id $1 ) SELRPN: 1 atoms have been selected out of 77 ( M1 ARG 1 CB ) 0.0000 X-PLOR>end loop main X-PLOR>for $1 in id ( resid 1 ) loop main FOR ID LOOP: symbol 1 set to 7.00000 (real) X-PLOR> vector show element ( charge ) ( id $1 ) SELRPN: 1 atoms have been selected out of 77 ( M1 ARG 1 CG ) 0.0000 X-PLOR>end loop main X-PLOR>for $1 in id ( resid 1 ) loop main FOR ID LOOP: symbol 1 set to 8.00000 (real) X-PLOR> vector show element ( charge ) ( id $1 ) SELRPN: 1 atoms have been selected out of 77 ( M1 ARG 1 CD ) 0.14000 X-PLOR>end loop main X-PLOR>for $1 in id ( resid 1 ) loop main FOR ID LOOP: symbol 1 set to 9.00000 (real) X-PLOR> vector show element ( charge ) ( id $1 ) SELRPN: 1 atoms have been selected out of 77 ( M1 ARG 1 NE ) -0.35000 X-PLOR>end loop main X-PLOR>for $1 in id ( resid 1 ) loop main FOR ID LOOP: symbol 1 set to 10.0000 (real) X-PLOR> vector show element ( charge ) ( id $1 ) SELRPN: 1 atoms have been selected out of 77 ( M1 ARG 1 HE ) 0.25000 X-PLOR>end loop main X-PLOR>for $1 in id ( resid 1 ) loop main FOR ID LOOP: symbol 1 set to 11.0000 (real) X-PLOR> vector show element ( charge ) ( id $1 ) SELRPN: 1 atoms have been selected out of 77 ( M1 ARG 1 CZ ) 0.46000 X-PLOR>end loop main X-PLOR>for $1 in id ( resid 1 ) loop main FOR ID LOOP: symbol 1 set to 12.0000 (real) X-PLOR> vector show element ( charge ) ( id $1 ) SELRPN: 1 atoms have been selected out of 77 ( M1 ARG 1 NH1 ) -0.25000 X-PLOR>end loop main X-PLOR>for $1 in id ( resid 1 ) loop main FOR ID LOOP: symbol 1 set to 13.0000 (real) X-PLOR> vector show element ( charge ) ( id $1 ) SELRPN: 1 atoms have been selected out of 77 ( M1 ARG 1 HH11 ) 0.25000 X-PLOR>end loop main X-PLOR>for $1 in id ( resid 1 ) loop main FOR ID LOOP: symbol 1 set to 14.0000 (real) X-PLOR> vector show element ( charge ) ( id $1 ) SELRPN: 1 atoms have been selected out of 77 ( M1 ARG 1 HH12 ) 0.25000 X-PLOR>end loop main X-PLOR>for $1 in id ( resid 1 ) loop main FOR ID LOOP: symbol 1 set to 15.0000 (real) X-PLOR> vector show element ( charge ) ( id $1 ) SELRPN: 1 atoms have been selected out of 77 ( M1 ARG 1 NH2 ) -0.25000 X-PLOR>end loop main X-PLOR>for $1 in id ( resid 1 ) loop main FOR ID LOOP: symbol 1 set to 16.0000 (real) X-PLOR> vector show element ( charge ) ( id $1 ) SELRPN: 1 atoms have been selected out of 77 ( M1 ARG 1 HH21 ) 0.25000 X-PLOR>end loop main X-PLOR>for $1 in id ( resid 1 ) loop main FOR ID LOOP: symbol 1 set to 17.0000 (real) X-PLOR> vector show element ( charge ) ( id $1 ) SELRPN: 1 atoms have been selected out of 77 ( M1 ARG 1 HH22 ) 0.25000 X-PLOR>end loop main X-PLOR>for $1 in id ( resid 1 ) loop main FOR ID LOOP: symbol 1 set to 18.0000 (real) X-PLOR> vector show element ( charge ) ( id $1 ) SELRPN: 1 atoms have been selected out of 77 ( M1 ARG 1 C ) 0.45000 X-PLOR>end loop main X-PLOR>for $1 in id ( resid 1 ) loop main FOR ID LOOP: symbol 1 set to 19.0000 (real) X-PLOR> vector show element ( charge ) ( id $1 ) SELRPN: 1 atoms have been selected out of 77 ( M1 ARG 1 O ) -0.45000 X-PLOR>end loop main X-PLOR>for $1 in id ( resid 1 ) loop main FOR ID LOOP: symbol 1 set to 65.0000 (real) X-PLOR> vector show element ( charge ) ( id $1 ) SELRPN: 1 atoms have been selected out of 77 ( M2 CYS 1 HT1 ) 0.26000 X-PLOR>end loop main X-PLOR>for $1 in id ( resid 1 ) loop main FOR ID LOOP: symbol 1 set to 66.0000 (real) X-PLOR> vector show element ( charge ) ( id $1 ) SELRPN: 1 atoms have been selected out of 77 ( M2 CYS 1 HT2 ) 0.26000 X-PLOR>end loop main X-PLOR>for $1 in id ( resid 1 ) loop main FOR ID LOOP: symbol 1 set to 67.0000 (real) X-PLOR> vector show element ( charge ) ( id $1 ) SELRPN: 1 atoms have been selected out of 77 ( M2 CYS 1 N ) 0.0000 X-PLOR>end loop main X-PLOR>for $1 in id ( resid 1 ) loop main FOR ID LOOP: symbol 1 set to 68.0000 (real) X-PLOR> vector show element ( charge ) ( id $1 ) SELRPN: 1 atoms have been selected out of 77 ( M2 CYS 1 HT3 ) 0.26000 X-PLOR>end loop main X-PLOR>for $1 in id ( resid 1 ) loop main FOR ID LOOP: symbol 1 set to 69.0000 (real) X-PLOR> vector show element ( charge ) ( id $1 ) SELRPN: 1 atoms have been selected out of 77 ( M2 CYS 1 CA ) 0.22000 X-PLOR>end loop main X-PLOR>for $1 in id ( resid 1 ) loop main FOR ID LOOP: symbol 1 set to 70.0000 (real) X-PLOR> vector show element ( charge ) ( id $1 ) SELRPN: 1 atoms have been selected out of 77 ( M2 CYS 1 CB ) 0.19000 X-PLOR>end loop main X-PLOR>for $1 in id ( resid 1 ) loop main FOR ID LOOP: symbol 1 set to 71.0000 (real) X-PLOR> vector show element ( charge ) ( id $1 ) SELRPN: 1 atoms have been selected out of 77 ( M2 CYS 1 SG ) -0.19000 X-PLOR>end loop main X-PLOR>for $1 in id ( resid 1 ) loop main FOR ID LOOP: symbol 1 set to 72.0000 (real) X-PLOR> vector show element ( charge ) ( id $1 ) SELRPN: 1 atoms have been selected out of 77 ( M2 CYS 1 C ) 0.14000 X-PLOR>end loop main X-PLOR>for $1 in id ( resid 1 ) loop main FOR ID LOOP: symbol 1 set to 73.0000 (real) X-PLOR> vector show element ( charge ) ( id $1 ) SELRPN: 1 atoms have been selected out of 77 ( M2 CYS 1 OT1 ) -0.57000 X-PLOR>end loop main X-PLOR>for $1 in id ( resid 1 ) loop main FOR ID LOOP: symbol 1 set to 74.0000 (real) X-PLOR> vector show element ( charge ) ( id $1 ) SELRPN: 1 atoms have been selected out of 77 ( M2 CYS 1 OT2 ) -0.57000 X-PLOR>end loop main X-PLOR>for $1 in id ( resid 1 ) loop main FOR ID LOOP: symbol 1 set to 75.0000 (real) X-PLOR> vector show element ( charge ) ( id $1 ) SELRPN: 1 atoms have been selected out of 77 ( SOLV TIP3 1 OH2 ) -0.83400 X-PLOR>end loop main X-PLOR>for $1 in id ( resid 1 ) loop main FOR ID LOOP: symbol 1 set to 76.0000 (real) X-PLOR> vector show element ( charge ) ( id $1 ) SELRPN: 1 atoms have been selected out of 77 ( SOLV TIP3 1 H1 ) 0.41700 X-PLOR>end loop main X-PLOR>for $1 in id ( resid 1 ) loop main FOR ID LOOP: symbol 1 set to 77.0000 (real) X-PLOR> vector show element ( charge ) ( id $1 ) SELRPN: 1 atoms have been selected out of 77 ( SOLV TIP3 1 H2 ) 0.41700 X-PLOR>end loop main X-PLOR>for $1 in id ( resid 1 ) loop main X-PLOR> vector show element ( charge ) ( id $1 ) X-PLOR>end loop main X-PLOR> X-PLOR>cons fix=( tag ) fix=? end SELRPN: 8 atoms have been selected out of 77 The following atoms are currently set: M1 1 ARG HT1 M1 2 PRO N M1 3 ASP N M1 4 PHE N M1 5 CYS N M1 6 LEU N M2 1 CYS HT1 SOLV 1 TIP3 OH2 SELRPN: 8 atoms have been selected out of 77 X-PLOR> X-PLOR>cons fix=( byresidue ( tag ) ) end SELRPN: 77 atoms have been selected out of 77 X-PLOR> X-PLOR>{* now test the symmetry around feature *} X-PLOR>vector do ( segid="1" ) ( all ) SELRPN: 77 atoms have been selected out of 77 X-PLOR>duplicate selection=( segid="1" ) segid="2" end SELRPN: 77 atoms have been selected out of 77 XPLOR: current counts (number in parenthesis is maximum) NATOM= 154(MAXA= 200) NBOND= 154(MAXB= 200) NTHETA= 218(MAXT= 400) NGRP= 52(MAXGRP= 100) NPHI= 94(MAXP= 100) NIMPHI= 60(MAXIMP= 100) NDON= 30(MAXPAD= 100) NACC= 22(MAXPAD= 100) NNB= 6(MAXNB= 100) X-PLOR>duplicate selection=( segid="1" ) segid="3" end SELRPN: 77 atoms have been selected out of 154 XPLOR: current counts (number in parenthesis is maximum) NATOM= 231(MAXA= 400) NBOND= 231(MAXB= 400) NTHETA= 327(MAXT= 400) NGRP= 78(MAXGRP= 100) NPHI= 141(MAXP= 200) NIMPHI= 90(MAXIMP= 100) NDON= 45(MAXPAD= 100) NACC= 33(MAXPAD= 100) NNB= 9(MAXNB= 100) X-PLOR>xrefin XREFINE> a=61.4 b=61.4 c=169.8 alpha=90. beta=90. gamma=120. XREFINE> XREFINE> symmetry=(x,y,z) ! Space group symmetry P6(5)22 XREFINE> symmetry=(-y,x-y,z+2/3) XREFINE> symmetry=(-x+y,-x,z+1/3) XREFINE> symmetry=(-x,-y,z+1/2) XREFINE> symmetry=(y,-x+y,z+1/6) XREFINE> symmetry=(x-y,x,z+5/6) XREFINE> symmetry=(y,x,-z+2/3) XREFINE> symmetry=(x-y,-y,-z) XREFINE> symmetry=(-x,-x+y,-z+1/3) XREFINE> symmetry=(-y,-x,-z+1/6) XREFINE> symmetry=(-x+y,y,-z+1/2) XREFINE> symmetry=( x,x-y,-z+5/6 ) XREFINE>end X-PLOR> X-PLOR>coor fractionalize end ORTHO: transformation matrix = 0.016287 0.009403 0.000000 0.000000 0.018806 0.000000 0.000000 0.000000 0.005889 X-PLOR>coor rotate COOR-ROTA> matrix=( 0 -1 0 ) MATRix-second-row= ( 1 -1 0 ) MATRix-third-row= ( 0 0 1 ) Matrix = 0.000000 -1.000000 0.000000 1.000000 -1.000000 0.000000 0.000000 0.000000 1.000000 COOR-ROTA> selection=( segid 2 ) SELRPN: 77 atoms have been selected out of 231 COOR: using atom subset. COOR-ROTA>end COOR: rotation center = 0.000000 0.000000 0.000000 COOR: selected coordinates rotated X-PLOR>coor translate vector=( 0 1 0.66666 ) selection=( segid 2 ) end SELRPN: 77 atoms have been selected out of 231 COOR: using atom subset. COOR: translation vector =( 0.000000 1.000000 0.666660 ) COOR: selected coordinates translated X-PLOR>coor rotate COOR-ROTA> matrix=( -1 +1 0 ) MATRix-second-row= ( -1 0 0 ) MATRix-third-row= ( 0 0 1 ) Matrix = -1.000000 1.000000 0.000000 -1.000000 0.000000 0.000000 0.000000 0.000000 1.000000 COOR-ROTA> selection=( segid 3 ) SELRPN: 77 atoms have been selected out of 231 COOR: using atom subset. COOR-ROTA>end COOR: rotation center = 0.000000 0.000000 0.000000 COOR: selected coordinates rotated X-PLOR>coor translate vector=( 1 0 0.33333 ) selection=( segid 3 ) end SELRPN: 77 atoms have been selected out of 231 COOR: using atom subset. COOR: translation vector =( 1.000000 0.000000 0.333330 ) COOR: selected coordinates translated X-PLOR>coor COOR> translate vector=( 0.4 0. 0. ) selection=( segid 3 and resid 1 ) SELRPN: 32 atoms have been selected out of 231 COOR: using atom subset. COOR-TRAN>end COOR: translation vector =( 0.400000 0.000000 0.000000 ) COOR: selected coordinates translated X-PLOR> X-PLOR>coor orthogonalize end ORTHO: transformation matrix = 61.400000 -30.700000 0.000000 0.000000 53.173960 0.000000 0.000000 0.000000 169.800000 X-PLOR> X-PLOR>vector show element ( resid ) SELRPN> ( ( segid 2 or segid 3 ) and ( segid 1 saround 0.1 ) ) SELRPN: 122 atoms have been selected out of 231 ( 2 ARG 1 HT1 ) 1 ( 2 ARG 1 HT2 ) 1 ( 2 ARG 1 N ) 1 ( 2 ARG 1 HT3 ) 1 ( 2 ARG 1 CA ) 1 ( 2 ARG 1 CB ) 1 ( 2 ARG 1 CG ) 1 ( 2 ARG 1 CD ) 1 ( 2 ARG 1 NE ) 1 ( 2 ARG 1 HE ) 1 ( 2 ARG 1 CZ ) 1 ( 2 ARG 1 NH1 ) 1 ( 2 ARG 1 HH11 ) 1 ( 2 ARG 1 HH12 ) 1 ( 2 ARG 1 NH2 ) 1 ( 2 ARG 1 HH21 ) 1 ( 2 ARG 1 HH22 ) 1 ( 2 ARG 1 C ) 1 ( 2 ARG 1 O ) 1 ( 2 PRO 2 N ) 2 ( 2 PRO 2 CD ) 2 ( 2 PRO 2 CA ) 2 ( 2 PRO 2 CB ) 2 ( 2 PRO 2 CG ) 2 ( 2 PRO 2 C ) 2 ( 2 PRO 2 O ) 2 ( 2 ASP 3 N ) 3 ( 2 ASP 3 H ) 3 ( 2 ASP 3 CA ) 3 ( 2 ASP 3 CB ) 3 ( 2 ASP 3 CG ) 3 ( 2 ASP 3 OD1 ) 3 ( 2 ASP 3 OD2 ) 3 ( 2 ASP 3 C ) 3 ( 2 ASP 3 O ) 3 ( 2 PHE 4 N ) 4 ( 2 PHE 4 H ) 4 ( 2 PHE 4 CA ) 4 ( 2 PHE 4 CB ) 4 ( 2 PHE 4 CG ) 4 ( 2 PHE 4 CD1 ) 4 ( 2 PHE 4 CD2 ) 4 ( 2 PHE 4 CE1 ) 4 ( 2 PHE 4 CE2 ) 4 ( 2 PHE 4 CZ ) 4 ( 2 PHE 4 C ) 4 ( 2 PHE 4 O ) 4 ( 2 CYS 5 N ) 5 ( 2 CYS 5 H ) 5 ( 2 CYS 5 CA ) 5 ( 2 CYS 5 CB ) 5 ( 2 CYS 5 SG ) 5 ( 2 CYS 5 C ) 5 ( 2 CYS 5 O ) 5 ( 2 LEU 6 N ) 6 ( 2 LEU 6 H ) 6 ( 2 LEU 6 CA ) 6 ( 2 LEU 6 CB ) 6 ( 2 LEU 6 CG ) 6 ( 2 LEU 6 CD1 ) 6 ( 2 LEU 6 CD2 ) 6 ( 2 LEU 6 C ) 6 ( 2 LEU 6 OT1 ) 6 ( 2 LEU 6 OT2 ) 6 ( 2 CYS 1 HT1 ) 1 ( 2 CYS 1 HT2 ) 1 ( 2 CYS 1 N ) 1 ( 2 CYS 1 HT3 ) 1 ( 2 CYS 1 CA ) 1 ( 2 CYS 1 CB ) 1 ( 2 CYS 1 SG ) 1 ( 2 CYS 1 C ) 1 ( 2 CYS 1 OT1 ) 1 ( 2 CYS 1 OT2 ) 1 ( 2 TIP3 1 OH2 ) 1 ( 2 TIP3 1 H1 ) 1 ( 2 TIP3 1 H2 ) 1 ( 3 PRO 2 N ) 2 ( 3 PRO 2 CD ) 2 ( 3 PRO 2 CA ) 2 ( 3 PRO 2 CB ) 2 ( 3 PRO 2 CG ) 2 ( 3 PRO 2 C ) 2 ( 3 PRO 2 O ) 2 ( 3 ASP 3 N ) 3 ( 3 ASP 3 H ) 3 ( 3 ASP 3 CA ) 3 ( 3 ASP 3 CB ) 3 ( 3 ASP 3 CG ) 3 ( 3 ASP 3 OD1 ) 3 ( 3 ASP 3 OD2 ) 3 ( 3 ASP 3 C ) 3 ( 3 ASP 3 O ) 3 ( 3 PHE 4 N ) 4 ( 3 PHE 4 H ) 4 ( 3 PHE 4 CA ) 4 ( 3 PHE 4 CB ) 4 ( 3 PHE 4 CG ) 4 ( 3 PHE 4 CD1 ) 4 ( 3 PHE 4 CD2 ) 4 ( 3 PHE 4 CE1 ) 4 ( 3 PHE 4 CE2 ) 4 ( 3 PHE 4 CZ ) 4 ( 3 PHE 4 C ) 4 ( 3 PHE 4 O ) 4 ( 3 CYS 5 N ) 5 ( 3 CYS 5 H ) 5 ( 3 CYS 5 CA ) 5 ( 3 CYS 5 CB ) 5 ( 3 CYS 5 SG ) 5 ( 3 CYS 5 C ) 5 ( 3 CYS 5 O ) 5 ( 3 LEU 6 N ) 6 ( 3 LEU 6 H ) 6 ( 3 LEU 6 CA ) 6 ( 3 LEU 6 CB ) 6 ( 3 LEU 6 CG ) 6 ( 3 LEU 6 CD1 ) 6 ( 3 LEU 6 CD2 ) 6 ( 3 LEU 6 C ) 6 ( 3 LEU 6 OT1 ) 6 ( 3 LEU 6 OT2 ) 6 X-PLOR> X-PLOR>vector do (chemical="Fe+3") ( segid 3 and resid 1 ) SELRPN: 32 atoms have been selected out of 231 X-PLOR>vector show elem ( chemical ) ( chemical "Fe+3" ) SELRPN: 32 atoms have been selected out of 231 ( 3 ARG 1 HT1 ) Fe+3 ( 3 ARG 1 HT2 ) Fe+3 ( 3 ARG 1 N ) Fe+3 ( 3 ARG 1 HT3 ) Fe+3 ( 3 ARG 1 CA ) Fe+3 ( 3 ARG 1 CB ) Fe+3 ( 3 ARG 1 CG ) Fe+3 ( 3 ARG 1 CD ) Fe+3 ( 3 ARG 1 NE ) Fe+3 ( 3 ARG 1 HE ) Fe+3 ( 3 ARG 1 CZ ) Fe+3 ( 3 ARG 1 NH1 ) Fe+3 ( 3 ARG 1 HH11 ) Fe+3 ( 3 ARG 1 HH12 ) Fe+3 ( 3 ARG 1 NH2 ) Fe+3 ( 3 ARG 1 HH21 ) Fe+3 ( 3 ARG 1 HH22 ) Fe+3 ( 3 ARG 1 C ) Fe+3 ( 3 ARG 1 O ) Fe+3 ( 3 CYS 1 HT1 ) Fe+3 ( 3 CYS 1 HT2 ) Fe+3 ( 3 CYS 1 N ) Fe+3 ( 3 CYS 1 HT3 ) Fe+3 ( 3 CYS 1 CA ) Fe+3 ( 3 CYS 1 CB ) Fe+3 ( 3 CYS 1 SG ) Fe+3 ( 3 CYS 1 C ) Fe+3 ( 3 CYS 1 OT1 ) Fe+3 ( 3 CYS 1 OT2 ) Fe+3 ( 3 TIP3 1 OH2 ) Fe+3 ( 3 TIP3 1 H1 ) Fe+3 ( 3 TIP3 1 H2 ) Fe+3 X-PLOR>vector show elem ( chemical ) ( chemical Fe+3 ) SELRPN: 0 atoms have been selected out of 231 VECTOR: zero atoms selected X-PLOR> X-PLOR>vector do (segid="Ge+3") ( chemical "Fe+3" ) SELRPN: 32 atoms have been selected out of 231 X-PLOR>vector show elem ( segid ) ( segid "Ge+3" ) SELRPN: 32 atoms have been selected out of 231 ( Ge+3 ARG 1 HT1 ) Ge+3 ( Ge+3 ARG 1 HT2 ) Ge+3 ( Ge+3 ARG 1 N ) Ge+3 ( Ge+3 ARG 1 HT3 ) Ge+3 ( Ge+3 ARG 1 CA ) Ge+3 ( Ge+3 ARG 1 CB ) Ge+3 ( Ge+3 ARG 1 CG ) Ge+3 ( Ge+3 ARG 1 CD ) Ge+3 ( Ge+3 ARG 1 NE ) Ge+3 ( Ge+3 ARG 1 HE ) Ge+3 ( Ge+3 ARG 1 CZ ) Ge+3 ( Ge+3 ARG 1 NH1 ) Ge+3 ( Ge+3 ARG 1 HH11 ) Ge+3 ( Ge+3 ARG 1 HH12 ) Ge+3 ( Ge+3 ARG 1 NH2 ) Ge+3 ( Ge+3 ARG 1 HH21 ) Ge+3 ( Ge+3 ARG 1 HH22 ) Ge+3 ( Ge+3 ARG 1 C ) Ge+3 ( Ge+3 ARG 1 O ) Ge+3 ( Ge+3 CYS 1 HT1 ) Ge+3 ( Ge+3 CYS 1 HT2 ) Ge+3 ( Ge+3 CYS 1 N ) Ge+3 ( Ge+3 CYS 1 HT3 ) Ge+3 ( Ge+3 CYS 1 CA ) Ge+3 ( Ge+3 CYS 1 CB ) Ge+3 ( Ge+3 CYS 1 SG ) Ge+3 ( Ge+3 CYS 1 C ) Ge+3 ( Ge+3 CYS 1 OT1 ) Ge+3 ( Ge+3 CYS 1 OT2 ) Ge+3 ( Ge+3 TIP3 1 OH2 ) Ge+3 ( Ge+3 TIP3 1 H1 ) Ge+3 ( Ge+3 TIP3 1 H2 ) Ge+3 X-PLOR>vector show elem ( segid ) ( segid Ge+3 ) SELRPN: 0 atoms have been selected out of 231 VECTOR: zero atoms selected X-PLOR> X-PLOR>vector do (resid="Ke+3") ( chemical "Fe+3" ) SELRPN: 32 atoms have been selected out of 231 X-PLOR>vector show elem ( resid ) ( resid "Ke+3" ) SELRPN: 32 atoms have been selected out of 231 ( Ge+3 ARG Ke+3 HT1 ) Ke+3 ( Ge+3 ARG Ke+3 HT2 ) Ke+3 ( Ge+3 ARG Ke+3 N ) Ke+3 ( Ge+3 ARG Ke+3 HT3 ) Ke+3 ( Ge+3 ARG Ke+3 CA ) Ke+3 ( Ge+3 ARG Ke+3 CB ) Ke+3 ( Ge+3 ARG Ke+3 CG ) Ke+3 ( Ge+3 ARG Ke+3 CD ) Ke+3 ( Ge+3 ARG Ke+3 NE ) Ke+3 ( Ge+3 ARG Ke+3 HE ) Ke+3 ( Ge+3 ARG Ke+3 CZ ) Ke+3 ( Ge+3 ARG Ke+3 NH1 ) Ke+3 ( Ge+3 ARG Ke+3 HH11 ) Ke+3 ( Ge+3 ARG Ke+3 HH12 ) Ke+3 ( Ge+3 ARG Ke+3 NH2 ) Ke+3 ( Ge+3 ARG Ke+3 HH21 ) Ke+3 ( Ge+3 ARG Ke+3 HH22 ) Ke+3 ( Ge+3 ARG Ke+3 C ) Ke+3 ( Ge+3 ARG Ke+3 O ) Ke+3 ( Ge+3 CYS Ke+3 HT1 ) Ke+3 ( Ge+3 CYS Ke+3 HT2 ) Ke+3 ( Ge+3 CYS Ke+3 N ) Ke+3 ( Ge+3 CYS Ke+3 HT3 ) Ke+3 ( Ge+3 CYS Ke+3 CA ) Ke+3 ( Ge+3 CYS Ke+3 CB ) Ke+3 ( Ge+3 CYS Ke+3 SG ) Ke+3 ( Ge+3 CYS Ke+3 C ) Ke+3 ( Ge+3 CYS Ke+3 OT1 ) Ke+3 ( Ge+3 CYS Ke+3 OT2 ) Ke+3 ( Ge+3 TIP3 Ke+3 OH2 ) Ke+3 ( Ge+3 TIP3 Ke+3 H1 ) Ke+3 ( Ge+3 TIP3 Ke+3 H2 ) Ke+3 X-PLOR>vector show elem ( resid ) ( resid Ke+3 ) SELRPN: 0 atoms have been selected out of 231 VECTOR: zero atoms selected X-PLOR> X-PLOR>vector do (name="Le+3") ( chemical "Fe+3" ) SELRPN: 32 atoms have been selected out of 231 X-PLOR>vector show elem ( name ) (name "Le+3" ) SELRPN: 32 atoms have been selected out of 231 ( Ge+3 ARG Ke+3 Le+3 ) Le+3 ( Ge+3 ARG Ke+3 Le+3 ) Le+3 ( Ge+3 ARG Ke+3 Le+3 ) Le+3 ( Ge+3 ARG Ke+3 Le+3 ) Le+3 ( Ge+3 ARG Ke+3 Le+3 ) Le+3 ( Ge+3 ARG Ke+3 Le+3 ) Le+3 ( Ge+3 ARG Ke+3 Le+3 ) Le+3 ( Ge+3 ARG Ke+3 Le+3 ) Le+3 ( Ge+3 ARG Ke+3 Le+3 ) Le+3 ( Ge+3 ARG Ke+3 Le+3 ) Le+3 ( Ge+3 ARG Ke+3 Le+3 ) Le+3 ( Ge+3 ARG Ke+3 Le+3 ) Le+3 ( Ge+3 ARG Ke+3 Le+3 ) Le+3 ( Ge+3 ARG Ke+3 Le+3 ) Le+3 ( Ge+3 ARG Ke+3 Le+3 ) Le+3 ( Ge+3 ARG Ke+3 Le+3 ) Le+3 ( Ge+3 ARG Ke+3 Le+3 ) Le+3 ( Ge+3 ARG Ke+3 Le+3 ) Le+3 ( Ge+3 ARG Ke+3 Le+3 ) Le+3 ( Ge+3 CYS Ke+3 Le+3 ) Le+3 ( Ge+3 CYS Ke+3 Le+3 ) Le+3 ( Ge+3 CYS Ke+3 Le+3 ) Le+3 ( Ge+3 CYS Ke+3 Le+3 ) Le+3 ( Ge+3 CYS Ke+3 Le+3 ) Le+3 ( Ge+3 CYS Ke+3 Le+3 ) Le+3 ( Ge+3 CYS Ke+3 Le+3 ) Le+3 ( Ge+3 CYS Ke+3 Le+3 ) Le+3 ( Ge+3 CYS Ke+3 Le+3 ) Le+3 ( Ge+3 CYS Ke+3 Le+3 ) Le+3 ( Ge+3 TIP3 Ke+3 Le+3 ) Le+3 ( Ge+3 TIP3 Ke+3 Le+3 ) Le+3 ( Ge+3 TIP3 Ke+3 Le+3 ) Le+3 X-PLOR>vector show elem ( name ) ( name Le+3 ) SELRPN: 0 atoms have been selected out of 231 VECTOR: zero atoms selected X-PLOR> X-PLOR>vector do (resname="Le+3") ( chemical "Fe+3" ) SELRPN: 32 atoms have been selected out of 231 X-PLOR>vector show elem ( resname ) ( resname "Le+3" ) SELRPN: 32 atoms have been selected out of 231 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 X-PLOR>vector show elem ( resname ) ( resname Le+3 ) SELRPN: 0 atoms have been selected out of 231 VECTOR: zero atoms selected X-PLOR> X-PLOR>vector show elem ( resname ) ( atom "Ge+3" "Ke+3" "Le+3" ) SELRPN: 32 atoms have been selected out of 231 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 ( Ge+3 Le+3 Ke+3 Le+3 ) Le+3 X-PLOR> X-PLOR>vector show elem ( resname ) ( atom Ge+3 "Ke+3" "Le+3" ) SELRPN: 0 atoms have been selected out of 231 VECTOR: zero atoms selected X-PLOR>vector show elem ( resname ) ( atom "Ge+3" Ke+3 "Le+3" ) SELRPN: 0 atoms have been selected out of 231 VECTOR: zero atoms selected X-PLOR>vector show elem ( resname ) ( atom "Ge+3" "Ke+3" Le+3 ) SELRPN: 0 atoms have been selected out of 231 VECTOR: zero atoms selected X-PLOR> X-PLOR>delete selection= ( atom "Ge+3" "Ke+3" "Le+3" ) end SELRPN: 32 atoms have been selected out of 231 MAPIC: Atom numbers being modified XPLOR: current counts (number in parenthesis is maximum) NATOM= 199(MAXA= 400) NBOND= 200(MAXB= 400) NTHETA= 282(MAXT= 400) NGRP= 68(MAXGRP= 100) NPHI= 118(MAXP= 200) NIMPHI= 83(MAXIMP= 100) NDON= 34(MAXPAD= 100) NACC= 30(MAXPAD= 100) NNB= 9(MAXNB= 100) X-PLOR> X-PLOR> X-PLOR>xrefin XREFINE> scatter ( name c* ) 1 2 3 4 5 6 7 8 9 imag 10 SELRPN: 99 atoms have been selected out of 199 XREFINE> scatter ( name n* ) 2 3 4 5 6 7 8 9 10 imag 11 SELRPN: 25 atoms have been selected out of 199 XREFINE>end X-PLOR> X-PLOR>vector show elem ( scatter_a1 ) ( attr scatter_a1 > 0 ) SELRPN: 124 atoms have been selected out of 199 ( 1 ARG 1 N ) 2.0000 ( 1 ARG 1 CA ) 1.0000 ( 1 ARG 1 CB ) 1.0000 ( 1 ARG 1 CG ) 1.0000 ( 1 ARG 1 CD ) 1.0000 ( 1 ARG 1 NE ) 2.0000 ( 1 ARG 1 CZ ) 1.0000 ( 1 ARG 1 NH1 ) 2.0000 ( 1 ARG 1 NH2 ) 2.0000 ( 1 ARG 1 C ) 1.0000 ( 1 PRO 2 N ) 2.0000 ( 1 PRO 2 CD ) 1.0000 ( 1 PRO 2 CA ) 1.0000 ( 1 PRO 2 CB ) 1.0000 ( 1 PRO 2 CG ) 1.0000 ( 1 PRO 2 C ) 1.0000 ( 1 ASP 3 N ) 2.0000 ( 1 ASP 3 CA ) 1.0000 ( 1 ASP 3 CB ) 1.0000 ( 1 ASP 3 CG ) 1.0000 ( 1 ASP 3 C ) 1.0000 ( 1 PHE 4 N ) 2.0000 ( 1 PHE 4 CA ) 1.0000 ( 1 PHE 4 CB ) 1.0000 ( 1 PHE 4 CG ) 1.0000 ( 1 PHE 4 CD1 ) 1.0000 ( 1 PHE 4 CD2 ) 1.0000 ( 1 PHE 4 CE1 ) 1.0000 ( 1 PHE 4 CE2 ) 1.0000 ( 1 PHE 4 CZ ) 1.0000 ( 1 PHE 4 C ) 1.0000 ( 1 CYS 5 N ) 2.0000 ( 1 CYS 5 CA ) 1.0000 ( 1 CYS 5 CB ) 1.0000 ( 1 CYS 5 C ) 1.0000 ( 1 LEU 6 N ) 2.0000 ( 1 LEU 6 CA ) 1.0000 ( 1 LEU 6 CB ) 1.0000 ( 1 LEU 6 CG ) 1.0000 ( 1 LEU 6 CD1 ) 1.0000 ( 1 LEU 6 CD2 ) 1.0000 ( 1 LEU 6 C ) 1.0000 ( 1 CYS 1 N ) 2.0000 ( 1 CYS 1 CA ) 1.0000 ( 1 CYS 1 CB ) 1.0000 ( 1 CYS 1 C ) 1.0000 ( 2 ARG 1 N ) 2.0000 ( 2 ARG 1 CA ) 1.0000 ( 2 ARG 1 CB ) 1.0000 ( 2 ARG 1 CG ) 1.0000 ( 2 ARG 1 CD ) 1.0000 ( 2 ARG 1 NE ) 2.0000 ( 2 ARG 1 CZ ) 1.0000 ( 2 ARG 1 NH1 ) 2.0000 ( 2 ARG 1 NH2 ) 2.0000 ( 2 ARG 1 C ) 1.0000 ( 2 PRO 2 N ) 2.0000 ( 2 PRO 2 CD ) 1.0000 ( 2 PRO 2 CA ) 1.0000 ( 2 PRO 2 CB ) 1.0000 ( 2 PRO 2 CG ) 1.0000 ( 2 PRO 2 C ) 1.0000 ( 2 ASP 3 N ) 2.0000 ( 2 ASP 3 CA ) 1.0000 ( 2 ASP 3 CB ) 1.0000 ( 2 ASP 3 CG ) 1.0000 ( 2 ASP 3 C ) 1.0000 ( 2 PHE 4 N ) 2.0000 ( 2 PHE 4 CA ) 1.0000 ( 2 PHE 4 CB ) 1.0000 ( 2 PHE 4 CG ) 1.0000 ( 2 PHE 4 CD1 ) 1.0000 ( 2 PHE 4 CD2 ) 1.0000 ( 2 PHE 4 CE1 ) 1.0000 ( 2 PHE 4 CE2 ) 1.0000 ( 2 PHE 4 CZ ) 1.0000 ( 2 PHE 4 C ) 1.0000 ( 2 CYS 5 N ) 2.0000 ( 2 CYS 5 CA ) 1.0000 ( 2 CYS 5 CB ) 1.0000 ( 2 CYS 5 C ) 1.0000 ( 2 LEU 6 N ) 2.0000 ( 2 LEU 6 CA ) 1.0000 ( 2 LEU 6 CB ) 1.0000 ( 2 LEU 6 CG ) 1.0000 ( 2 LEU 6 CD1 ) 1.0000 ( 2 LEU 6 CD2 ) 1.0000 ( 2 LEU 6 C ) 1.0000 ( 2 CYS 1 N ) 2.0000 ( 2 CYS 1 CA ) 1.0000 ( 2 CYS 1 CB ) 1.0000 ( 2 CYS 1 C ) 1.0000 ( 3 PRO 2 N ) 2.0000 ( 3 PRO 2 CD ) 1.0000 ( 3 PRO 2 CA ) 1.0000 ( 3 PRO 2 CB ) 1.0000 ( 3 PRO 2 CG ) 1.0000 ( 3 PRO 2 C ) 1.0000 ( 3 ASP 3 N ) 2.0000 ( 3 ASP 3 CA ) 1.0000 ( 3 ASP 3 CB ) 1.0000 ( 3 ASP 3 CG ) 1.0000 ( 3 ASP 3 C ) 1.0000 ( 3 PHE 4 N ) 2.0000 ( 3 PHE 4 CA ) 1.0000 ( 3 PHE 4 CB ) 1.0000 ( 3 PHE 4 CG ) 1.0000 ( 3 PHE 4 CD1 ) 1.0000 ( 3 PHE 4 CD2 ) 1.0000 ( 3 PHE 4 CE1 ) 1.0000 ( 3 PHE 4 CE2 ) 1.0000 ( 3 PHE 4 CZ ) 1.0000 ( 3 PHE 4 C ) 1.0000 ( 3 CYS 5 N ) 2.0000 ( 3 CYS 5 CA ) 1.0000 ( 3 CYS 5 CB ) 1.0000 ( 3 CYS 5 C ) 1.0000 ( 3 LEU 6 N ) 2.0000 ( 3 LEU 6 CA ) 1.0000 ( 3 LEU 6 CB ) 1.0000 ( 3 LEU 6 CG ) 1.0000 ( 3 LEU 6 CD1 ) 1.0000 ( 3 LEU 6 CD2 ) 1.0000 ( 3 LEU 6 C ) 1.0000 X-PLOR>vector show elem ( scatter_a1 ) ( attr scatter_a1 <= 0 ) SELRPN: 0 atoms have been selected out of 199 VECTOR: zero atoms selected X-PLOR> X-PLOR>vector show elem ( scatter_b1 ) ( attr scatter_b1 > 1 ) SELRPN: 124 atoms have been selected out of 199 ( 1 ARG 1 N ) 3.0000 ( 1 ARG 1 CA ) 2.0000 ( 1 ARG 1 CB ) 2.0000 ( 1 ARG 1 CG ) 2.0000 ( 1 ARG 1 CD ) 2.0000 ( 1 ARG 1 NE ) 3.0000 ( 1 ARG 1 CZ ) 2.0000 ( 1 ARG 1 NH1 ) 3.0000 ( 1 ARG 1 NH2 ) 3.0000 ( 1 ARG 1 C ) 2.0000 ( 1 PRO 2 N ) 3.0000 ( 1 PRO 2 CD ) 2.0000 ( 1 PRO 2 CA ) 2.0000 ( 1 PRO 2 CB ) 2.0000 ( 1 PRO 2 CG ) 2.0000 ( 1 PRO 2 C ) 2.0000 ( 1 ASP 3 N ) 3.0000 ( 1 ASP 3 CA ) 2.0000 ( 1 ASP 3 CB ) 2.0000 ( 1 ASP 3 CG ) 2.0000 ( 1 ASP 3 C ) 2.0000 ( 1 PHE 4 N ) 3.0000 ( 1 PHE 4 CA ) 2.0000 ( 1 PHE 4 CB ) 2.0000 ( 1 PHE 4 CG ) 2.0000 ( 1 PHE 4 CD1 ) 2.0000 ( 1 PHE 4 CD2 ) 2.0000 ( 1 PHE 4 CE1 ) 2.0000 ( 1 PHE 4 CE2 ) 2.0000 ( 1 PHE 4 CZ ) 2.0000 ( 1 PHE 4 C ) 2.0000 ( 1 CYS 5 N ) 3.0000 ( 1 CYS 5 CA ) 2.0000 ( 1 CYS 5 CB ) 2.0000 ( 1 CYS 5 C ) 2.0000 ( 1 LEU 6 N ) 3.0000 ( 1 LEU 6 CA ) 2.0000 ( 1 LEU 6 CB ) 2.0000 ( 1 LEU 6 CG ) 2.0000 ( 1 LEU 6 CD1 ) 2.0000 ( 1 LEU 6 CD2 ) 2.0000 ( 1 LEU 6 C ) 2.0000 ( 1 CYS 1 N ) 3.0000 ( 1 CYS 1 CA ) 2.0000 ( 1 CYS 1 CB ) 2.0000 ( 1 CYS 1 C ) 2.0000 ( 2 ARG 1 N ) 3.0000 ( 2 ARG 1 CA ) 2.0000 ( 2 ARG 1 CB ) 2.0000 ( 2 ARG 1 CG ) 2.0000 ( 2 ARG 1 CD ) 2.0000 ( 2 ARG 1 NE ) 3.0000 ( 2 ARG 1 CZ ) 2.0000 ( 2 ARG 1 NH1 ) 3.0000 ( 2 ARG 1 NH2 ) 3.0000 ( 2 ARG 1 C ) 2.0000 ( 2 PRO 2 N ) 3.0000 ( 2 PRO 2 CD ) 2.0000 ( 2 PRO 2 CA ) 2.0000 ( 2 PRO 2 CB ) 2.0000 ( 2 PRO 2 CG ) 2.0000 ( 2 PRO 2 C ) 2.0000 ( 2 ASP 3 N ) 3.0000 ( 2 ASP 3 CA ) 2.0000 ( 2 ASP 3 CB ) 2.0000 ( 2 ASP 3 CG ) 2.0000 ( 2 ASP 3 C ) 2.0000 ( 2 PHE 4 N ) 3.0000 ( 2 PHE 4 CA ) 2.0000 ( 2 PHE 4 CB ) 2.0000 ( 2 PHE 4 CG ) 2.0000 ( 2 PHE 4 CD1 ) 2.0000 ( 2 PHE 4 CD2 ) 2.0000 ( 2 PHE 4 CE1 ) 2.0000 ( 2 PHE 4 CE2 ) 2.0000 ( 2 PHE 4 CZ ) 2.0000 ( 2 PHE 4 C ) 2.0000 ( 2 CYS 5 N ) 3.0000 ( 2 CYS 5 CA ) 2.0000 ( 2 CYS 5 CB ) 2.0000 ( 2 CYS 5 C ) 2.0000 ( 2 LEU 6 N ) 3.0000 ( 2 LEU 6 CA ) 2.0000 ( 2 LEU 6 CB ) 2.0000 ( 2 LEU 6 CG ) 2.0000 ( 2 LEU 6 CD1 ) 2.0000 ( 2 LEU 6 CD2 ) 2.0000 ( 2 LEU 6 C ) 2.0000 ( 2 CYS 1 N ) 3.0000 ( 2 CYS 1 CA ) 2.0000 ( 2 CYS 1 CB ) 2.0000 ( 2 CYS 1 C ) 2.0000 ( 3 PRO 2 N ) 3.0000 ( 3 PRO 2 CD ) 2.0000 ( 3 PRO 2 CA ) 2.0000 ( 3 PRO 2 CB ) 2.0000 ( 3 PRO 2 CG ) 2.0000 ( 3 PRO 2 C ) 2.0000 ( 3 ASP 3 N ) 3.0000 ( 3 ASP 3 CA ) 2.0000 ( 3 ASP 3 CB ) 2.0000 ( 3 ASP 3 CG ) 2.0000 ( 3 ASP 3 C ) 2.0000 ( 3 PHE 4 N ) 3.0000 ( 3 PHE 4 CA ) 2.0000 ( 3 PHE 4 CB ) 2.0000 ( 3 PHE 4 CG ) 2.0000 ( 3 PHE 4 CD1 ) 2.0000 ( 3 PHE 4 CD2 ) 2.0000 ( 3 PHE 4 CE1 ) 2.0000 ( 3 PHE 4 CE2 ) 2.0000 ( 3 PHE 4 CZ ) 2.0000 ( 3 PHE 4 C ) 2.0000 ( 3 CYS 5 N ) 3.0000 ( 3 CYS 5 CA ) 2.0000 ( 3 CYS 5 CB ) 2.0000 ( 3 CYS 5 C ) 2.0000 ( 3 LEU 6 N ) 3.0000 ( 3 LEU 6 CA ) 2.0000 ( 3 LEU 6 CB ) 2.0000 ( 3 LEU 6 CG ) 2.0000 ( 3 LEU 6 CD1 ) 2.0000 ( 3 LEU 6 CD2 ) 2.0000 ( 3 LEU 6 C ) 2.0000 X-PLOR>vector show elem ( scatter_b1 ) ( attr scatter_b1 < 1 ) SELRPN: 75 atoms have been selected out of 199 ( 1 ARG 1 HT1 ) 0.0000 ( 1 ARG 1 HT2 ) 0.0000 ( 1 ARG 1 HT3 ) 0.0000 ( 1 ARG 1 HE ) 0.0000 ( 1 ARG 1 HH11 ) 0.0000 ( 1 ARG 1 HH12 ) 0.0000 ( 1 ARG 1 HH21 ) 0.0000 ( 1 ARG 1 HH22 ) 0.0000 ( 1 ARG 1 O ) 0.0000 ( 1 PRO 2 O ) 0.0000 ( 1 ASP 3 H ) 0.0000 ( 1 ASP 3 OD1 ) 0.0000 ( 1 ASP 3 OD2 ) 0.0000 ( 1 ASP 3 O ) 0.0000 ( 1 PHE 4 H ) 0.0000 ( 1 PHE 4 O ) 0.0000 ( 1 CYS 5 H ) 0.0000 ( 1 CYS 5 SG ) 0.0000 ( 1 CYS 5 O ) 0.0000 ( 1 LEU 6 H ) 0.0000 ( 1 LEU 6 OT1 ) 0.0000 ( 1 LEU 6 OT2 ) 0.0000 ( 1 CYS 1 HT1 ) 0.0000 ( 1 CYS 1 HT2 ) 0.0000 ( 1 CYS 1 HT3 ) 0.0000 ( 1 CYS 1 SG ) 0.0000 ( 1 CYS 1 OT1 ) 0.0000 ( 1 CYS 1 OT2 ) 0.0000 ( 1 TIP3 1 OH2 ) 0.0000 ( 1 TIP3 1 H1 ) 0.0000 ( 1 TIP3 1 H2 ) 0.0000 ( 2 ARG 1 HT1 ) 0.0000 ( 2 ARG 1 HT2 ) 0.0000 ( 2 ARG 1 HT3 ) 0.0000 ( 2 ARG 1 HE ) 0.0000 ( 2 ARG 1 HH11 ) 0.0000 ( 2 ARG 1 HH12 ) 0.0000 ( 2 ARG 1 HH21 ) 0.0000 ( 2 ARG 1 HH22 ) 0.0000 ( 2 ARG 1 O ) 0.0000 ( 2 PRO 2 O ) 0.0000 ( 2 ASP 3 H ) 0.0000 ( 2 ASP 3 OD1 ) 0.0000 ( 2 ASP 3 OD2 ) 0.0000 ( 2 ASP 3 O ) 0.0000 ( 2 PHE 4 H ) 0.0000 ( 2 PHE 4 O ) 0.0000 ( 2 CYS 5 H ) 0.0000 ( 2 CYS 5 SG ) 0.0000 ( 2 CYS 5 O ) 0.0000 ( 2 LEU 6 H ) 0.0000 ( 2 LEU 6 OT1 ) 0.0000 ( 2 LEU 6 OT2 ) 0.0000 ( 2 CYS 1 HT1 ) 0.0000 ( 2 CYS 1 HT2 ) 0.0000 ( 2 CYS 1 HT3 ) 0.0000 ( 2 CYS 1 SG ) 0.0000 ( 2 CYS 1 OT1 ) 0.0000 ( 2 CYS 1 OT2 ) 0.0000 ( 2 TIP3 1 OH2 ) 0.0000 ( 2 TIP3 1 H1 ) 0.0000 ( 2 TIP3 1 H2 ) 0.0000 ( 3 PRO 2 O ) 0.0000 ( 3 ASP 3 H ) 0.0000 ( 3 ASP 3 OD1 ) 0.0000 ( 3 ASP 3 OD2 ) 0.0000 ( 3 ASP 3 O ) 0.0000 ( 3 PHE 4 H ) 0.0000 ( 3 PHE 4 O ) 0.0000 ( 3 CYS 5 H ) 0.0000 ( 3 CYS 5 SG ) 0.0000 ( 3 CYS 5 O ) 0.0000 ( 3 LEU 6 H ) 0.0000 ( 3 LEU 6 OT1 ) 0.0000 ( 3 LEU 6 OT2 ) 0.0000 X-PLOR> X-PLOR>vector show elem ( scatter_a2 ) ( attr scatter_a2 > 2 ) SELRPN: 124 atoms have been selected out of 199 ( 1 ARG 1 N ) 4.0000 ( 1 ARG 1 CA ) 3.0000 ( 1 ARG 1 CB ) 3.0000 ( 1 ARG 1 CG ) 3.0000 ( 1 ARG 1 CD ) 3.0000 ( 1 ARG 1 NE ) 4.0000 ( 1 ARG 1 CZ ) 3.0000 ( 1 ARG 1 NH1 ) 4.0000 ( 1 ARG 1 NH2 ) 4.0000 ( 1 ARG 1 C ) 3.0000 ( 1 PRO 2 N ) 4.0000 ( 1 PRO 2 CD ) 3.0000 ( 1 PRO 2 CA ) 3.0000 ( 1 PRO 2 CB ) 3.0000 ( 1 PRO 2 CG ) 3.0000 ( 1 PRO 2 C ) 3.0000 ( 1 ASP 3 N ) 4.0000 ( 1 ASP 3 CA ) 3.0000 ( 1 ASP 3 CB ) 3.0000 ( 1 ASP 3 CG ) 3.0000 ( 1 ASP 3 C ) 3.0000 ( 1 PHE 4 N ) 4.0000 ( 1 PHE 4 CA ) 3.0000 ( 1 PHE 4 CB ) 3.0000 ( 1 PHE 4 CG ) 3.0000 ( 1 PHE 4 CD1 ) 3.0000 ( 1 PHE 4 CD2 ) 3.0000 ( 1 PHE 4 CE1 ) 3.0000 ( 1 PHE 4 CE2 ) 3.0000 ( 1 PHE 4 CZ ) 3.0000 ( 1 PHE 4 C ) 3.0000 ( 1 CYS 5 N ) 4.0000 ( 1 CYS 5 CA ) 3.0000 ( 1 CYS 5 CB ) 3.0000 ( 1 CYS 5 C ) 3.0000 ( 1 LEU 6 N ) 4.0000 ( 1 LEU 6 CA ) 3.0000 ( 1 LEU 6 CB ) 3.0000 ( 1 LEU 6 CG ) 3.0000 ( 1 LEU 6 CD1 ) 3.0000 ( 1 LEU 6 CD2 ) 3.0000 ( 1 LEU 6 C ) 3.0000 ( 1 CYS 1 N ) 4.0000 ( 1 CYS 1 CA ) 3.0000 ( 1 CYS 1 CB ) 3.0000 ( 1 CYS 1 C ) 3.0000 ( 2 ARG 1 N ) 4.0000 ( 2 ARG 1 CA ) 3.0000 ( 2 ARG 1 CB ) 3.0000 ( 2 ARG 1 CG ) 3.0000 ( 2 ARG 1 CD ) 3.0000 ( 2 ARG 1 NE ) 4.0000 ( 2 ARG 1 CZ ) 3.0000 ( 2 ARG 1 NH1 ) 4.0000 ( 2 ARG 1 NH2 ) 4.0000 ( 2 ARG 1 C ) 3.0000 ( 2 PRO 2 N ) 4.0000 ( 2 PRO 2 CD ) 3.0000 ( 2 PRO 2 CA ) 3.0000 ( 2 PRO 2 CB ) 3.0000 ( 2 PRO 2 CG ) 3.0000 ( 2 PRO 2 C ) 3.0000 ( 2 ASP 3 N ) 4.0000 ( 2 ASP 3 CA ) 3.0000 ( 2 ASP 3 CB ) 3.0000 ( 2 ASP 3 CG ) 3.0000 ( 2 ASP 3 C ) 3.0000 ( 2 PHE 4 N ) 4.0000 ( 2 PHE 4 CA ) 3.0000 ( 2 PHE 4 CB ) 3.0000 ( 2 PHE 4 CG ) 3.0000 ( 2 PHE 4 CD1 ) 3.0000 ( 2 PHE 4 CD2 ) 3.0000 ( 2 PHE 4 CE1 ) 3.0000 ( 2 PHE 4 CE2 ) 3.0000 ( 2 PHE 4 CZ ) 3.0000 ( 2 PHE 4 C ) 3.0000 ( 2 CYS 5 N ) 4.0000 ( 2 CYS 5 CA ) 3.0000 ( 2 CYS 5 CB ) 3.0000 ( 2 CYS 5 C ) 3.0000 ( 2 LEU 6 N ) 4.0000 ( 2 LEU 6 CA ) 3.0000 ( 2 LEU 6 CB ) 3.0000 ( 2 LEU 6 CG ) 3.0000 ( 2 LEU 6 CD1 ) 3.0000 ( 2 LEU 6 CD2 ) 3.0000 ( 2 LEU 6 C ) 3.0000 ( 2 CYS 1 N ) 4.0000 ( 2 CYS 1 CA ) 3.0000 ( 2 CYS 1 CB ) 3.0000 ( 2 CYS 1 C ) 3.0000 ( 3 PRO 2 N ) 4.0000 ( 3 PRO 2 CD ) 3.0000 ( 3 PRO 2 CA ) 3.0000 ( 3 PRO 2 CB ) 3.0000 ( 3 PRO 2 CG ) 3.0000 ( 3 PRO 2 C ) 3.0000 ( 3 ASP 3 N ) 4.0000 ( 3 ASP 3 CA ) 3.0000 ( 3 ASP 3 CB ) 3.0000 ( 3 ASP 3 CG ) 3.0000 ( 3 ASP 3 C ) 3.0000 ( 3 PHE 4 N ) 4.0000 ( 3 PHE 4 CA ) 3.0000 ( 3 PHE 4 CB ) 3.0000 ( 3 PHE 4 CG ) 3.0000 ( 3 PHE 4 CD1 ) 3.0000 ( 3 PHE 4 CD2 ) 3.0000 ( 3 PHE 4 CE1 ) 3.0000 ( 3 PHE 4 CE2 ) 3.0000 ( 3 PHE 4 CZ ) 3.0000 ( 3 PHE 4 C ) 3.0000 ( 3 CYS 5 N ) 4.0000 ( 3 CYS 5 CA ) 3.0000 ( 3 CYS 5 CB ) 3.0000 ( 3 CYS 5 C ) 3.0000 ( 3 LEU 6 N ) 4.0000 ( 3 LEU 6 CA ) 3.0000 ( 3 LEU 6 CB ) 3.0000 ( 3 LEU 6 CG ) 3.0000 ( 3 LEU 6 CD1 ) 3.0000 ( 3 LEU 6 CD2 ) 3.0000 ( 3 LEU 6 C ) 3.0000 X-PLOR>vector show elem ( scatter_a2 ) ( attr scatter_a2 < 2 ) SELRPN: 75 atoms have been selected out of 199 ( 1 ARG 1 HT1 ) 0.0000 ( 1 ARG 1 HT2 ) 0.0000 ( 1 ARG 1 HT3 ) 0.0000 ( 1 ARG 1 HE ) 0.0000 ( 1 ARG 1 HH11 ) 0.0000 ( 1 ARG 1 HH12 ) 0.0000 ( 1 ARG 1 HH21 ) 0.0000 ( 1 ARG 1 HH22 ) 0.0000 ( 1 ARG 1 O ) 0.0000 ( 1 PRO 2 O ) 0.0000 ( 1 ASP 3 H ) 0.0000 ( 1 ASP 3 OD1 ) 0.0000 ( 1 ASP 3 OD2 ) 0.0000 ( 1 ASP 3 O ) 0.0000 ( 1 PHE 4 H ) 0.0000 ( 1 PHE 4 O ) 0.0000 ( 1 CYS 5 H ) 0.0000 ( 1 CYS 5 SG ) 0.0000 ( 1 CYS 5 O ) 0.0000 ( 1 LEU 6 H ) 0.0000 ( 1 LEU 6 OT1 ) 0.0000 ( 1 LEU 6 OT2 ) 0.0000 ( 1 CYS 1 HT1 ) 0.0000 ( 1 CYS 1 HT2 ) 0.0000 ( 1 CYS 1 HT3 ) 0.0000 ( 1 CYS 1 SG ) 0.0000 ( 1 CYS 1 OT1 ) 0.0000 ( 1 CYS 1 OT2 ) 0.0000 ( 1 TIP3 1 OH2 ) 0.0000 ( 1 TIP3 1 H1 ) 0.0000 ( 1 TIP3 1 H2 ) 0.0000 ( 2 ARG 1 HT1 ) 0.0000 ( 2 ARG 1 HT2 ) 0.0000 ( 2 ARG 1 HT3 ) 0.0000 ( 2 ARG 1 HE ) 0.0000 ( 2 ARG 1 HH11 ) 0.0000 ( 2 ARG 1 HH12 ) 0.0000 ( 2 ARG 1 HH21 ) 0.0000 ( 2 ARG 1 HH22 ) 0.0000 ( 2 ARG 1 O ) 0.0000 ( 2 PRO 2 O ) 0.0000 ( 2 ASP 3 H ) 0.0000 ( 2 ASP 3 OD1 ) 0.0000 ( 2 ASP 3 OD2 ) 0.0000 ( 2 ASP 3 O ) 0.0000 ( 2 PHE 4 H ) 0.0000 ( 2 PHE 4 O ) 0.0000 ( 2 CYS 5 H ) 0.0000 ( 2 CYS 5 SG ) 0.0000 ( 2 CYS 5 O ) 0.0000 ( 2 LEU 6 H ) 0.0000 ( 2 LEU 6 OT1 ) 0.0000 ( 2 LEU 6 OT2 ) 0.0000 ( 2 CYS 1 HT1 ) 0.0000 ( 2 CYS 1 HT2 ) 0.0000 ( 2 CYS 1 HT3 ) 0.0000 ( 2 CYS 1 SG ) 0.0000 ( 2 CYS 1 OT1 ) 0.0000 ( 2 CYS 1 OT2 ) 0.0000 ( 2 TIP3 1 OH2 ) 0.0000 ( 2 TIP3 1 H1 ) 0.0000 ( 2 TIP3 1 H2 ) 0.0000 ( 3 PRO 2 O ) 0.0000 ( 3 ASP 3 H ) 0.0000 ( 3 ASP 3 OD1 ) 0.0000 ( 3 ASP 3 OD2 ) 0.0000 ( 3 ASP 3 O ) 0.0000 ( 3 PHE 4 H ) 0.0000 ( 3 PHE 4 O ) 0.0000 ( 3 CYS 5 H ) 0.0000 ( 3 CYS 5 SG ) 0.0000 ( 3 CYS 5 O ) 0.0000 ( 3 LEU 6 H ) 0.0000 ( 3 LEU 6 OT1 ) 0.0000 ( 3 LEU 6 OT2 ) 0.0000 X-PLOR> X-PLOR>vector show elem ( scatter_b2 ) ( attr scatter_b2 > 3 ) SELRPN: 124 atoms have been selected out of 199 ( 1 ARG 1 N ) 5.0000 ( 1 ARG 1 CA ) 4.0000 ( 1 ARG 1 CB ) 4.0000 ( 1 ARG 1 CG ) 4.0000 ( 1 ARG 1 CD ) 4.0000 ( 1 ARG 1 NE ) 5.0000 ( 1 ARG 1 CZ ) 4.0000 ( 1 ARG 1 NH1 ) 5.0000 ( 1 ARG 1 NH2 ) 5.0000 ( 1 ARG 1 C ) 4.0000 ( 1 PRO 2 N ) 5.0000 ( 1 PRO 2 CD ) 4.0000 ( 1 PRO 2 CA ) 4.0000 ( 1 PRO 2 CB ) 4.0000 ( 1 PRO 2 CG ) 4.0000 ( 1 PRO 2 C ) 4.0000 ( 1 ASP 3 N ) 5.0000 ( 1 ASP 3 CA ) 4.0000 ( 1 ASP 3 CB ) 4.0000 ( 1 ASP 3 CG ) 4.0000 ( 1 ASP 3 C ) 4.0000 ( 1 PHE 4 N ) 5.0000 ( 1 PHE 4 CA ) 4.0000 ( 1 PHE 4 CB ) 4.0000 ( 1 PHE 4 CG ) 4.0000 ( 1 PHE 4 CD1 ) 4.0000 ( 1 PHE 4 CD2 ) 4.0000 ( 1 PHE 4 CE1 ) 4.0000 ( 1 PHE 4 CE2 ) 4.0000 ( 1 PHE 4 CZ ) 4.0000 ( 1 PHE 4 C ) 4.0000 ( 1 CYS 5 N ) 5.0000 ( 1 CYS 5 CA ) 4.0000 ( 1 CYS 5 CB ) 4.0000 ( 1 CYS 5 C ) 4.0000 ( 1 LEU 6 N ) 5.0000 ( 1 LEU 6 CA ) 4.0000 ( 1 LEU 6 CB ) 4.0000 ( 1 LEU 6 CG ) 4.0000 ( 1 LEU 6 CD1 ) 4.0000 ( 1 LEU 6 CD2 ) 4.0000 ( 1 LEU 6 C ) 4.0000 ( 1 CYS 1 N ) 5.0000 ( 1 CYS 1 CA ) 4.0000 ( 1 CYS 1 CB ) 4.0000 ( 1 CYS 1 C ) 4.0000 ( 2 ARG 1 N ) 5.0000 ( 2 ARG 1 CA ) 4.0000 ( 2 ARG 1 CB ) 4.0000 ( 2 ARG 1 CG ) 4.0000 ( 2 ARG 1 CD ) 4.0000 ( 2 ARG 1 NE ) 5.0000 ( 2 ARG 1 CZ ) 4.0000 ( 2 ARG 1 NH1 ) 5.0000 ( 2 ARG 1 NH2 ) 5.0000 ( 2 ARG 1 C ) 4.0000 ( 2 PRO 2 N ) 5.0000 ( 2 PRO 2 CD ) 4.0000 ( 2 PRO 2 CA ) 4.0000 ( 2 PRO 2 CB ) 4.0000 ( 2 PRO 2 CG ) 4.0000 ( 2 PRO 2 C ) 4.0000 ( 2 ASP 3 N ) 5.0000 ( 2 ASP 3 CA ) 4.0000 ( 2 ASP 3 CB ) 4.0000 ( 2 ASP 3 CG ) 4.0000 ( 2 ASP 3 C ) 4.0000 ( 2 PHE 4 N ) 5.0000 ( 2 PHE 4 CA ) 4.0000 ( 2 PHE 4 CB ) 4.0000 ( 2 PHE 4 CG ) 4.0000 ( 2 PHE 4 CD1 ) 4.0000 ( 2 PHE 4 CD2 ) 4.0000 ( 2 PHE 4 CE1 ) 4.0000 ( 2 PHE 4 CE2 ) 4.0000 ( 2 PHE 4 CZ ) 4.0000 ( 2 PHE 4 C ) 4.0000 ( 2 CYS 5 N ) 5.0000 ( 2 CYS 5 CA ) 4.0000 ( 2 CYS 5 CB ) 4.0000 ( 2 CYS 5 C ) 4.0000 ( 2 LEU 6 N ) 5.0000 ( 2 LEU 6 CA ) 4.0000 ( 2 LEU 6 CB ) 4.0000 ( 2 LEU 6 CG ) 4.0000 ( 2 LEU 6 CD1 ) 4.0000 ( 2 LEU 6 CD2 ) 4.0000 ( 2 LEU 6 C ) 4.0000 ( 2 CYS 1 N ) 5.0000 ( 2 CYS 1 CA ) 4.0000 ( 2 CYS 1 CB ) 4.0000 ( 2 CYS 1 C ) 4.0000 ( 3 PRO 2 N ) 5.0000 ( 3 PRO 2 CD ) 4.0000 ( 3 PRO 2 CA ) 4.0000 ( 3 PRO 2 CB ) 4.0000 ( 3 PRO 2 CG ) 4.0000 ( 3 PRO 2 C ) 4.0000 ( 3 ASP 3 N ) 5.0000 ( 3 ASP 3 CA ) 4.0000 ( 3 ASP 3 CB ) 4.0000 ( 3 ASP 3 CG ) 4.0000 ( 3 ASP 3 C ) 4.0000 ( 3 PHE 4 N ) 5.0000 ( 3 PHE 4 CA ) 4.0000 ( 3 PHE 4 CB ) 4.0000 ( 3 PHE 4 CG ) 4.0000 ( 3 PHE 4 CD1 ) 4.0000 ( 3 PHE 4 CD2 ) 4.0000 ( 3 PHE 4 CE1 ) 4.0000 ( 3 PHE 4 CE2 ) 4.0000 ( 3 PHE 4 CZ ) 4.0000 ( 3 PHE 4 C ) 4.0000 ( 3 CYS 5 N ) 5.0000 ( 3 CYS 5 CA ) 4.0000 ( 3 CYS 5 CB ) 4.0000 ( 3 CYS 5 C ) 4.0000 ( 3 LEU 6 N ) 5.0000 ( 3 LEU 6 CA ) 4.0000 ( 3 LEU 6 CB ) 4.0000 ( 3 LEU 6 CG ) 4.0000 ( 3 LEU 6 CD1 ) 4.0000 ( 3 LEU 6 CD2 ) 4.0000 ( 3 LEU 6 C ) 4.0000 X-PLOR>vector show elem ( scatter_b2 ) ( attr scatter_b2 < 3 ) SELRPN: 75 atoms have been selected out of 199 ( 1 ARG 1 HT1 ) 0.0000 ( 1 ARG 1 HT2 ) 0.0000 ( 1 ARG 1 HT3 ) 0.0000 ( 1 ARG 1 HE ) 0.0000 ( 1 ARG 1 HH11 ) 0.0000 ( 1 ARG 1 HH12 ) 0.0000 ( 1 ARG 1 HH21 ) 0.0000 ( 1 ARG 1 HH22 ) 0.0000 ( 1 ARG 1 O ) 0.0000 ( 1 PRO 2 O ) 0.0000 ( 1 ASP 3 H ) 0.0000 ( 1 ASP 3 OD1 ) 0.0000 ( 1 ASP 3 OD2 ) 0.0000 ( 1 ASP 3 O ) 0.0000 ( 1 PHE 4 H ) 0.0000 ( 1 PHE 4 O ) 0.0000 ( 1 CYS 5 H ) 0.0000 ( 1 CYS 5 SG ) 0.0000 ( 1 CYS 5 O ) 0.0000 ( 1 LEU 6 H ) 0.0000 ( 1 LEU 6 OT1 ) 0.0000 ( 1 LEU 6 OT2 ) 0.0000 ( 1 CYS 1 HT1 ) 0.0000 ( 1 CYS 1 HT2 ) 0.0000 ( 1 CYS 1 HT3 ) 0.0000 ( 1 CYS 1 SG ) 0.0000 ( 1 CYS 1 OT1 ) 0.0000 ( 1 CYS 1 OT2 ) 0.0000 ( 1 TIP3 1 OH2 ) 0.0000 ( 1 TIP3 1 H1 ) 0.0000 ( 1 TIP3 1 H2 ) 0.0000 ( 2 ARG 1 HT1 ) 0.0000 ( 2 ARG 1 HT2 ) 0.0000 ( 2 ARG 1 HT3 ) 0.0000 ( 2 ARG 1 HE ) 0.0000 ( 2 ARG 1 HH11 ) 0.0000 ( 2 ARG 1 HH12 ) 0.0000 ( 2 ARG 1 HH21 ) 0.0000 ( 2 ARG 1 HH22 ) 0.0000 ( 2 ARG 1 O ) 0.0000 ( 2 PRO 2 O ) 0.0000 ( 2 ASP 3 H ) 0.0000 ( 2 ASP 3 OD1 ) 0.0000 ( 2 ASP 3 OD2 ) 0.0000 ( 2 ASP 3 O ) 0.0000 ( 2 PHE 4 H ) 0.0000 ( 2 PHE 4 O ) 0.0000 ( 2 CYS 5 H ) 0.0000 ( 2 CYS 5 SG ) 0.0000 ( 2 CYS 5 O ) 0.0000 ( 2 LEU 6 H ) 0.0000 ( 2 LEU 6 OT1 ) 0.0000 ( 2 LEU 6 OT2 ) 0.0000 ( 2 CYS 1 HT1 ) 0.0000 ( 2 CYS 1 HT2 ) 0.0000 ( 2 CYS 1 HT3 ) 0.0000 ( 2 CYS 1 SG ) 0.0000 ( 2 CYS 1 OT1 ) 0.0000 ( 2 CYS 1 OT2 ) 0.0000 ( 2 TIP3 1 OH2 ) 0.0000 ( 2 TIP3 1 H1 ) 0.0000 ( 2 TIP3 1 H2 ) 0.0000 ( 3 PRO 2 O ) 0.0000 ( 3 ASP 3 H ) 0.0000 ( 3 ASP 3 OD1 ) 0.0000 ( 3 ASP 3 OD2 ) 0.0000 ( 3 ASP 3 O ) 0.0000 ( 3 PHE 4 H ) 0.0000 ( 3 PHE 4 O ) 0.0000 ( 3 CYS 5 H ) 0.0000 ( 3 CYS 5 SG ) 0.0000 ( 3 CYS 5 O ) 0.0000 ( 3 LEU 6 H ) 0.0000 ( 3 LEU 6 OT1 ) 0.0000 ( 3 LEU 6 OT2 ) 0.0000 X-PLOR> X-PLOR>vector show elem ( scatter_a3 ) ( attr scatter_a3 > 4 ) SELRPN: 124 atoms have been selected out of 199 ( 1 ARG 1 N ) 6.0000 ( 1 ARG 1 CA ) 5.0000 ( 1 ARG 1 CB ) 5.0000 ( 1 ARG 1 CG ) 5.0000 ( 1 ARG 1 CD ) 5.0000 ( 1 ARG 1 NE ) 6.0000 ( 1 ARG 1 CZ ) 5.0000 ( 1 ARG 1 NH1 ) 6.0000 ( 1 ARG 1 NH2 ) 6.0000 ( 1 ARG 1 C ) 5.0000 ( 1 PRO 2 N ) 6.0000 ( 1 PRO 2 CD ) 5.0000 ( 1 PRO 2 CA ) 5.0000 ( 1 PRO 2 CB ) 5.0000 ( 1 PRO 2 CG ) 5.0000 ( 1 PRO 2 C ) 5.0000 ( 1 ASP 3 N ) 6.0000 ( 1 ASP 3 CA ) 5.0000 ( 1 ASP 3 CB ) 5.0000 ( 1 ASP 3 CG ) 5.0000 ( 1 ASP 3 C ) 5.0000 ( 1 PHE 4 N ) 6.0000 ( 1 PHE 4 CA ) 5.0000 ( 1 PHE 4 CB ) 5.0000 ( 1 PHE 4 CG ) 5.0000 ( 1 PHE 4 CD1 ) 5.0000 ( 1 PHE 4 CD2 ) 5.0000 ( 1 PHE 4 CE1 ) 5.0000 ( 1 PHE 4 CE2 ) 5.0000 ( 1 PHE 4 CZ ) 5.0000 ( 1 PHE 4 C ) 5.0000 ( 1 CYS 5 N ) 6.0000 ( 1 CYS 5 CA ) 5.0000 ( 1 CYS 5 CB ) 5.0000 ( 1 CYS 5 C ) 5.0000 ( 1 LEU 6 N ) 6.0000 ( 1 LEU 6 CA ) 5.0000 ( 1 LEU 6 CB ) 5.0000 ( 1 LEU 6 CG ) 5.0000 ( 1 LEU 6 CD1 ) 5.0000 ( 1 LEU 6 CD2 ) 5.0000 ( 1 LEU 6 C ) 5.0000 ( 1 CYS 1 N ) 6.0000 ( 1 CYS 1 CA ) 5.0000 ( 1 CYS 1 CB ) 5.0000 ( 1 CYS 1 C ) 5.0000 ( 2 ARG 1 N ) 6.0000 ( 2 ARG 1 CA ) 5.0000 ( 2 ARG 1 CB ) 5.0000 ( 2 ARG 1 CG ) 5.0000 ( 2 ARG 1 CD ) 5.0000 ( 2 ARG 1 NE ) 6.0000 ( 2 ARG 1 CZ ) 5.0000 ( 2 ARG 1 NH1 ) 6.0000 ( 2 ARG 1 NH2 ) 6.0000 ( 2 ARG 1 C ) 5.0000 ( 2 PRO 2 N ) 6.0000 ( 2 PRO 2 CD ) 5.0000 ( 2 PRO 2 CA ) 5.0000 ( 2 PRO 2 CB ) 5.0000 ( 2 PRO 2 CG ) 5.0000 ( 2 PRO 2 C ) 5.0000 ( 2 ASP 3 N ) 6.0000 ( 2 ASP 3 CA ) 5.0000 ( 2 ASP 3 CB ) 5.0000 ( 2 ASP 3 CG ) 5.0000 ( 2 ASP 3 C ) 5.0000 ( 2 PHE 4 N ) 6.0000 ( 2 PHE 4 CA ) 5.0000 ( 2 PHE 4 CB ) 5.0000 ( 2 PHE 4 CG ) 5.0000 ( 2 PHE 4 CD1 ) 5.0000 ( 2 PHE 4 CD2 ) 5.0000 ( 2 PHE 4 CE1 ) 5.0000 ( 2 PHE 4 CE2 ) 5.0000 ( 2 PHE 4 CZ ) 5.0000 ( 2 PHE 4 C ) 5.0000 ( 2 CYS 5 N ) 6.0000 ( 2 CYS 5 CA ) 5.0000 ( 2 CYS 5 CB ) 5.0000 ( 2 CYS 5 C ) 5.0000 ( 2 LEU 6 N ) 6.0000 ( 2 LEU 6 CA ) 5.0000 ( 2 LEU 6 CB ) 5.0000 ( 2 LEU 6 CG ) 5.0000 ( 2 LEU 6 CD1 ) 5.0000 ( 2 LEU 6 CD2 ) 5.0000 ( 2 LEU 6 C ) 5.0000 ( 2 CYS 1 N ) 6.0000 ( 2 CYS 1 CA ) 5.0000 ( 2 CYS 1 CB ) 5.0000 ( 2 CYS 1 C ) 5.0000 ( 3 PRO 2 N ) 6.0000 ( 3 PRO 2 CD ) 5.0000 ( 3 PRO 2 CA ) 5.0000 ( 3 PRO 2 CB ) 5.0000 ( 3 PRO 2 CG ) 5.0000 ( 3 PRO 2 C ) 5.0000 ( 3 ASP 3 N ) 6.0000 ( 3 ASP 3 CA ) 5.0000 ( 3 ASP 3 CB ) 5.0000 ( 3 ASP 3 CG ) 5.0000 ( 3 ASP 3 C ) 5.0000 ( 3 PHE 4 N ) 6.0000 ( 3 PHE 4 CA ) 5.0000 ( 3 PHE 4 CB ) 5.0000 ( 3 PHE 4 CG ) 5.0000 ( 3 PHE 4 CD1 ) 5.0000 ( 3 PHE 4 CD2 ) 5.0000 ( 3 PHE 4 CE1 ) 5.0000 ( 3 PHE 4 CE2 ) 5.0000 ( 3 PHE 4 CZ ) 5.0000 ( 3 PHE 4 C ) 5.0000 ( 3 CYS 5 N ) 6.0000 ( 3 CYS 5 CA ) 5.0000 ( 3 CYS 5 CB ) 5.0000 ( 3 CYS 5 C ) 5.0000 ( 3 LEU 6 N ) 6.0000 ( 3 LEU 6 CA ) 5.0000 ( 3 LEU 6 CB ) 5.0000 ( 3 LEU 6 CG ) 5.0000 ( 3 LEU 6 CD1 ) 5.0000 ( 3 LEU 6 CD2 ) 5.0000 ( 3 LEU 6 C ) 5.0000 X-PLOR>vector show elem ( scatter_a3 ) ( attr scatter_a3 < 4 ) SELRPN: 75 atoms have been selected out of 199 ( 1 ARG 1 HT1 ) 0.0000 ( 1 ARG 1 HT2 ) 0.0000 ( 1 ARG 1 HT3 ) 0.0000 ( 1 ARG 1 HE ) 0.0000 ( 1 ARG 1 HH11 ) 0.0000 ( 1 ARG 1 HH12 ) 0.0000 ( 1 ARG 1 HH21 ) 0.0000 ( 1 ARG 1 HH22 ) 0.0000 ( 1 ARG 1 O ) 0.0000 ( 1 PRO 2 O ) 0.0000 ( 1 ASP 3 H ) 0.0000 ( 1 ASP 3 OD1 ) 0.0000 ( 1 ASP 3 OD2 ) 0.0000 ( 1 ASP 3 O ) 0.0000 ( 1 PHE 4 H ) 0.0000 ( 1 PHE 4 O ) 0.0000 ( 1 CYS 5 H ) 0.0000 ( 1 CYS 5 SG ) 0.0000 ( 1 CYS 5 O ) 0.0000 ( 1 LEU 6 H ) 0.0000 ( 1 LEU 6 OT1 ) 0.0000 ( 1 LEU 6 OT2 ) 0.0000 ( 1 CYS 1 HT1 ) 0.0000 ( 1 CYS 1 HT2 ) 0.0000 ( 1 CYS 1 HT3 ) 0.0000 ( 1 CYS 1 SG ) 0.0000 ( 1 CYS 1 OT1 ) 0.0000 ( 1 CYS 1 OT2 ) 0.0000 ( 1 TIP3 1 OH2 ) 0.0000 ( 1 TIP3 1 H1 ) 0.0000 ( 1 TIP3 1 H2 ) 0.0000 ( 2 ARG 1 HT1 ) 0.0000 ( 2 ARG 1 HT2 ) 0.0000 ( 2 ARG 1 HT3 ) 0.0000 ( 2 ARG 1 HE ) 0.0000 ( 2 ARG 1 HH11 ) 0.0000 ( 2 ARG 1 HH12 ) 0.0000 ( 2 ARG 1 HH21 ) 0.0000 ( 2 ARG 1 HH22 ) 0.0000 ( 2 ARG 1 O ) 0.0000 ( 2 PRO 2 O ) 0.0000 ( 2 ASP 3 H ) 0.0000 ( 2 ASP 3 OD1 ) 0.0000 ( 2 ASP 3 OD2 ) 0.0000 ( 2 ASP 3 O ) 0.0000 ( 2 PHE 4 H ) 0.0000 ( 2 PHE 4 O ) 0.0000 ( 2 CYS 5 H ) 0.0000 ( 2 CYS 5 SG ) 0.0000 ( 2 CYS 5 O ) 0.0000 ( 2 LEU 6 H ) 0.0000 ( 2 LEU 6 OT1 ) 0.0000 ( 2 LEU 6 OT2 ) 0.0000 ( 2 CYS 1 HT1 ) 0.0000 ( 2 CYS 1 HT2 ) 0.0000 ( 2 CYS 1 HT3 ) 0.0000 ( 2 CYS 1 SG ) 0.0000 ( 2 CYS 1 OT1 ) 0.0000 ( 2 CYS 1 OT2 ) 0.0000 ( 2 TIP3 1 OH2 ) 0.0000 ( 2 TIP3 1 H1 ) 0.0000 ( 2 TIP3 1 H2 ) 0.0000 ( 3 PRO 2 O ) 0.0000 ( 3 ASP 3 H ) 0.0000 ( 3 ASP 3 OD1 ) 0.0000 ( 3 ASP 3 OD2 ) 0.0000 ( 3 ASP 3 O ) 0.0000 ( 3 PHE 4 H ) 0.0000 ( 3 PHE 4 O ) 0.0000 ( 3 CYS 5 H ) 0.0000 ( 3 CYS 5 SG ) 0.0000 ( 3 CYS 5 O ) 0.0000 ( 3 LEU 6 H ) 0.0000 ( 3 LEU 6 OT1 ) 0.0000 ( 3 LEU 6 OT2 ) 0.0000 X-PLOR> X-PLOR>vector show elem ( scatter_b3 ) ( attr scatter_b3 > 5 ) SELRPN: 124 atoms have been selected out of 199 ( 1 ARG 1 N ) 7.0000 ( 1 ARG 1 CA ) 6.0000 ( 1 ARG 1 CB ) 6.0000 ( 1 ARG 1 CG ) 6.0000 ( 1 ARG 1 CD ) 6.0000 ( 1 ARG 1 NE ) 7.0000 ( 1 ARG 1 CZ ) 6.0000 ( 1 ARG 1 NH1 ) 7.0000 ( 1 ARG 1 NH2 ) 7.0000 ( 1 ARG 1 C ) 6.0000 ( 1 PRO 2 N ) 7.0000 ( 1 PRO 2 CD ) 6.0000 ( 1 PRO 2 CA ) 6.0000 ( 1 PRO 2 CB ) 6.0000 ( 1 PRO 2 CG ) 6.0000 ( 1 PRO 2 C ) 6.0000 ( 1 ASP 3 N ) 7.0000 ( 1 ASP 3 CA ) 6.0000 ( 1 ASP 3 CB ) 6.0000 ( 1 ASP 3 CG ) 6.0000 ( 1 ASP 3 C ) 6.0000 ( 1 PHE 4 N ) 7.0000 ( 1 PHE 4 CA ) 6.0000 ( 1 PHE 4 CB ) 6.0000 ( 1 PHE 4 CG ) 6.0000 ( 1 PHE 4 CD1 ) 6.0000 ( 1 PHE 4 CD2 ) 6.0000 ( 1 PHE 4 CE1 ) 6.0000 ( 1 PHE 4 CE2 ) 6.0000 ( 1 PHE 4 CZ ) 6.0000 ( 1 PHE 4 C ) 6.0000 ( 1 CYS 5 N ) 7.0000 ( 1 CYS 5 CA ) 6.0000 ( 1 CYS 5 CB ) 6.0000 ( 1 CYS 5 C ) 6.0000 ( 1 LEU 6 N ) 7.0000 ( 1 LEU 6 CA ) 6.0000 ( 1 LEU 6 CB ) 6.0000 ( 1 LEU 6 CG ) 6.0000 ( 1 LEU 6 CD1 ) 6.0000 ( 1 LEU 6 CD2 ) 6.0000 ( 1 LEU 6 C ) 6.0000 ( 1 CYS 1 N ) 7.0000 ( 1 CYS 1 CA ) 6.0000 ( 1 CYS 1 CB ) 6.0000 ( 1 CYS 1 C ) 6.0000 ( 2 ARG 1 N ) 7.0000 ( 2 ARG 1 CA ) 6.0000 ( 2 ARG 1 CB ) 6.0000 ( 2 ARG 1 CG ) 6.0000 ( 2 ARG 1 CD ) 6.0000 ( 2 ARG 1 NE ) 7.0000 ( 2 ARG 1 CZ ) 6.0000 ( 2 ARG 1 NH1 ) 7.0000 ( 2 ARG 1 NH2 ) 7.0000 ( 2 ARG 1 C ) 6.0000 ( 2 PRO 2 N ) 7.0000 ( 2 PRO 2 CD ) 6.0000 ( 2 PRO 2 CA ) 6.0000 ( 2 PRO 2 CB ) 6.0000 ( 2 PRO 2 CG ) 6.0000 ( 2 PRO 2 C ) 6.0000 ( 2 ASP 3 N ) 7.0000 ( 2 ASP 3 CA ) 6.0000 ( 2 ASP 3 CB ) 6.0000 ( 2 ASP 3 CG ) 6.0000 ( 2 ASP 3 C ) 6.0000 ( 2 PHE 4 N ) 7.0000 ( 2 PHE 4 CA ) 6.0000 ( 2 PHE 4 CB ) 6.0000 ( 2 PHE 4 CG ) 6.0000 ( 2 PHE 4 CD1 ) 6.0000 ( 2 PHE 4 CD2 ) 6.0000 ( 2 PHE 4 CE1 ) 6.0000 ( 2 PHE 4 CE2 ) 6.0000 ( 2 PHE 4 CZ ) 6.0000 ( 2 PHE 4 C ) 6.0000 ( 2 CYS 5 N ) 7.0000 ( 2 CYS 5 CA ) 6.0000 ( 2 CYS 5 CB ) 6.0000 ( 2 CYS 5 C ) 6.0000 ( 2 LEU 6 N ) 7.0000 ( 2 LEU 6 CA ) 6.0000 ( 2 LEU 6 CB ) 6.0000 ( 2 LEU 6 CG ) 6.0000 ( 2 LEU 6 CD1 ) 6.0000 ( 2 LEU 6 CD2 ) 6.0000 ( 2 LEU 6 C ) 6.0000 ( 2 CYS 1 N ) 7.0000 ( 2 CYS 1 CA ) 6.0000 ( 2 CYS 1 CB ) 6.0000 ( 2 CYS 1 C ) 6.0000 ( 3 PRO 2 N ) 7.0000 ( 3 PRO 2 CD ) 6.0000 ( 3 PRO 2 CA ) 6.0000 ( 3 PRO 2 CB ) 6.0000 ( 3 PRO 2 CG ) 6.0000 ( 3 PRO 2 C ) 6.0000 ( 3 ASP 3 N ) 7.0000 ( 3 ASP 3 CA ) 6.0000 ( 3 ASP 3 CB ) 6.0000 ( 3 ASP 3 CG ) 6.0000 ( 3 ASP 3 C ) 6.0000 ( 3 PHE 4 N ) 7.0000 ( 3 PHE 4 CA ) 6.0000 ( 3 PHE 4 CB ) 6.0000 ( 3 PHE 4 CG ) 6.0000 ( 3 PHE 4 CD1 ) 6.0000 ( 3 PHE 4 CD2 ) 6.0000 ( 3 PHE 4 CE1 ) 6.0000 ( 3 PHE 4 CE2 ) 6.0000 ( 3 PHE 4 CZ ) 6.0000 ( 3 PHE 4 C ) 6.0000 ( 3 CYS 5 N ) 7.0000 ( 3 CYS 5 CA ) 6.0000 ( 3 CYS 5 CB ) 6.0000 ( 3 CYS 5 C ) 6.0000 ( 3 LEU 6 N ) 7.0000 ( 3 LEU 6 CA ) 6.0000 ( 3 LEU 6 CB ) 6.0000 ( 3 LEU 6 CG ) 6.0000 ( 3 LEU 6 CD1 ) 6.0000 ( 3 LEU 6 CD2 ) 6.0000 ( 3 LEU 6 C ) 6.0000 X-PLOR>vector show elem ( scatter_b3 ) ( attr scatter_b3 < 5 ) SELRPN: 75 atoms have been selected out of 199 ( 1 ARG 1 HT1 ) 0.0000 ( 1 ARG 1 HT2 ) 0.0000 ( 1 ARG 1 HT3 ) 0.0000 ( 1 ARG 1 HE ) 0.0000 ( 1 ARG 1 HH11 ) 0.0000 ( 1 ARG 1 HH12 ) 0.0000 ( 1 ARG 1 HH21 ) 0.0000 ( 1 ARG 1 HH22 ) 0.0000 ( 1 ARG 1 O ) 0.0000 ( 1 PRO 2 O ) 0.0000 ( 1 ASP 3 H ) 0.0000 ( 1 ASP 3 OD1 ) 0.0000 ( 1 ASP 3 OD2 ) 0.0000 ( 1 ASP 3 O ) 0.0000 ( 1 PHE 4 H ) 0.0000 ( 1 PHE 4 O ) 0.0000 ( 1 CYS 5 H ) 0.0000 ( 1 CYS 5 SG ) 0.0000 ( 1 CYS 5 O ) 0.0000 ( 1 LEU 6 H ) 0.0000 ( 1 LEU 6 OT1 ) 0.0000 ( 1 LEU 6 OT2 ) 0.0000 ( 1 CYS 1 HT1 ) 0.0000 ( 1 CYS 1 HT2 ) 0.0000 ( 1 CYS 1 HT3 ) 0.0000 ( 1 CYS 1 SG ) 0.0000 ( 1 CYS 1 OT1 ) 0.0000 ( 1 CYS 1 OT2 ) 0.0000 ( 1 TIP3 1 OH2 ) 0.0000 ( 1 TIP3 1 H1 ) 0.0000 ( 1 TIP3 1 H2 ) 0.0000 ( 2 ARG 1 HT1 ) 0.0000 ( 2 ARG 1 HT2 ) 0.0000 ( 2 ARG 1 HT3 ) 0.0000 ( 2 ARG 1 HE ) 0.0000 ( 2 ARG 1 HH11 ) 0.0000 ( 2 ARG 1 HH12 ) 0.0000 ( 2 ARG 1 HH21 ) 0.0000 ( 2 ARG 1 HH22 ) 0.0000 ( 2 ARG 1 O ) 0.0000 ( 2 PRO 2 O ) 0.0000 ( 2 ASP 3 H ) 0.0000 ( 2 ASP 3 OD1 ) 0.0000 ( 2 ASP 3 OD2 ) 0.0000 ( 2 ASP 3 O ) 0.0000 ( 2 PHE 4 H ) 0.0000 ( 2 PHE 4 O ) 0.0000 ( 2 CYS 5 H ) 0.0000 ( 2 CYS 5 SG ) 0.0000 ( 2 CYS 5 O ) 0.0000 ( 2 LEU 6 H ) 0.0000 ( 2 LEU 6 OT1 ) 0.0000 ( 2 LEU 6 OT2 ) 0.0000 ( 2 CYS 1 HT1 ) 0.0000 ( 2 CYS 1 HT2 ) 0.0000 ( 2 CYS 1 HT3 ) 0.0000 ( 2 CYS 1 SG ) 0.0000 ( 2 CYS 1 OT1 ) 0.0000 ( 2 CYS 1 OT2 ) 0.0000 ( 2 TIP3 1 OH2 ) 0.0000 ( 2 TIP3 1 H1 ) 0.0000 ( 2 TIP3 1 H2 ) 0.0000 ( 3 PRO 2 O ) 0.0000 ( 3 ASP 3 H ) 0.0000 ( 3 ASP 3 OD1 ) 0.0000 ( 3 ASP 3 OD2 ) 0.0000 ( 3 ASP 3 O ) 0.0000 ( 3 PHE 4 H ) 0.0000 ( 3 PHE 4 O ) 0.0000 ( 3 CYS 5 H ) 0.0000 ( 3 CYS 5 SG ) 0.0000 ( 3 CYS 5 O ) 0.0000 ( 3 LEU 6 H ) 0.0000 ( 3 LEU 6 OT1 ) 0.0000 ( 3 LEU 6 OT2 ) 0.0000 X-PLOR> X-PLOR>vector show elem ( scatter_a4 ) ( attr scatter_a4 > 6 ) SELRPN: 124 atoms have been selected out of 199 ( 1 ARG 1 N ) 8.0000 ( 1 ARG 1 CA ) 7.0000 ( 1 ARG 1 CB ) 7.0000 ( 1 ARG 1 CG ) 7.0000 ( 1 ARG 1 CD ) 7.0000 ( 1 ARG 1 NE ) 8.0000 ( 1 ARG 1 CZ ) 7.0000 ( 1 ARG 1 NH1 ) 8.0000 ( 1 ARG 1 NH2 ) 8.0000 ( 1 ARG 1 C ) 7.0000 ( 1 PRO 2 N ) 8.0000 ( 1 PRO 2 CD ) 7.0000 ( 1 PRO 2 CA ) 7.0000 ( 1 PRO 2 CB ) 7.0000 ( 1 PRO 2 CG ) 7.0000 ( 1 PRO 2 C ) 7.0000 ( 1 ASP 3 N ) 8.0000 ( 1 ASP 3 CA ) 7.0000 ( 1 ASP 3 CB ) 7.0000 ( 1 ASP 3 CG ) 7.0000 ( 1 ASP 3 C ) 7.0000 ( 1 PHE 4 N ) 8.0000 ( 1 PHE 4 CA ) 7.0000 ( 1 PHE 4 CB ) 7.0000 ( 1 PHE 4 CG ) 7.0000 ( 1 PHE 4 CD1 ) 7.0000 ( 1 PHE 4 CD2 ) 7.0000 ( 1 PHE 4 CE1 ) 7.0000 ( 1 PHE 4 CE2 ) 7.0000 ( 1 PHE 4 CZ ) 7.0000 ( 1 PHE 4 C ) 7.0000 ( 1 CYS 5 N ) 8.0000 ( 1 CYS 5 CA ) 7.0000 ( 1 CYS 5 CB ) 7.0000 ( 1 CYS 5 C ) 7.0000 ( 1 LEU 6 N ) 8.0000 ( 1 LEU 6 CA ) 7.0000 ( 1 LEU 6 CB ) 7.0000 ( 1 LEU 6 CG ) 7.0000 ( 1 LEU 6 CD1 ) 7.0000 ( 1 LEU 6 CD2 ) 7.0000 ( 1 LEU 6 C ) 7.0000 ( 1 CYS 1 N ) 8.0000 ( 1 CYS 1 CA ) 7.0000 ( 1 CYS 1 CB ) 7.0000 ( 1 CYS 1 C ) 7.0000 ( 2 ARG 1 N ) 8.0000 ( 2 ARG 1 CA ) 7.0000 ( 2 ARG 1 CB ) 7.0000 ( 2 ARG 1 CG ) 7.0000 ( 2 ARG 1 CD ) 7.0000 ( 2 ARG 1 NE ) 8.0000 ( 2 ARG 1 CZ ) 7.0000 ( 2 ARG 1 NH1 ) 8.0000 ( 2 ARG 1 NH2 ) 8.0000 ( 2 ARG 1 C ) 7.0000 ( 2 PRO 2 N ) 8.0000 ( 2 PRO 2 CD ) 7.0000 ( 2 PRO 2 CA ) 7.0000 ( 2 PRO 2 CB ) 7.0000 ( 2 PRO 2 CG ) 7.0000 ( 2 PRO 2 C ) 7.0000 ( 2 ASP 3 N ) 8.0000 ( 2 ASP 3 CA ) 7.0000 ( 2 ASP 3 CB ) 7.0000 ( 2 ASP 3 CG ) 7.0000 ( 2 ASP 3 C ) 7.0000 ( 2 PHE 4 N ) 8.0000 ( 2 PHE 4 CA ) 7.0000 ( 2 PHE 4 CB ) 7.0000 ( 2 PHE 4 CG ) 7.0000 ( 2 PHE 4 CD1 ) 7.0000 ( 2 PHE 4 CD2 ) 7.0000 ( 2 PHE 4 CE1 ) 7.0000 ( 2 PHE 4 CE2 ) 7.0000 ( 2 PHE 4 CZ ) 7.0000 ( 2 PHE 4 C ) 7.0000 ( 2 CYS 5 N ) 8.0000 ( 2 CYS 5 CA ) 7.0000 ( 2 CYS 5 CB ) 7.0000 ( 2 CYS 5 C ) 7.0000 ( 2 LEU 6 N ) 8.0000 ( 2 LEU 6 CA ) 7.0000 ( 2 LEU 6 CB ) 7.0000 ( 2 LEU 6 CG ) 7.0000 ( 2 LEU 6 CD1 ) 7.0000 ( 2 LEU 6 CD2 ) 7.0000 ( 2 LEU 6 C ) 7.0000 ( 2 CYS 1 N ) 8.0000 ( 2 CYS 1 CA ) 7.0000 ( 2 CYS 1 CB ) 7.0000 ( 2 CYS 1 C ) 7.0000 ( 3 PRO 2 N ) 8.0000 ( 3 PRO 2 CD ) 7.0000 ( 3 PRO 2 CA ) 7.0000 ( 3 PRO 2 CB ) 7.0000 ( 3 PRO 2 CG ) 7.0000 ( 3 PRO 2 C ) 7.0000 ( 3 ASP 3 N ) 8.0000 ( 3 ASP 3 CA ) 7.0000 ( 3 ASP 3 CB ) 7.0000 ( 3 ASP 3 CG ) 7.0000 ( 3 ASP 3 C ) 7.0000 ( 3 PHE 4 N ) 8.0000 ( 3 PHE 4 CA ) 7.0000 ( 3 PHE 4 CB ) 7.0000 ( 3 PHE 4 CG ) 7.0000 ( 3 PHE 4 CD1 ) 7.0000 ( 3 PHE 4 CD2 ) 7.0000 ( 3 PHE 4 CE1 ) 7.0000 ( 3 PHE 4 CE2 ) 7.0000 ( 3 PHE 4 CZ ) 7.0000 ( 3 PHE 4 C ) 7.0000 ( 3 CYS 5 N ) 8.0000 ( 3 CYS 5 CA ) 7.0000 ( 3 CYS 5 CB ) 7.0000 ( 3 CYS 5 C ) 7.0000 ( 3 LEU 6 N ) 8.0000 ( 3 LEU 6 CA ) 7.0000 ( 3 LEU 6 CB ) 7.0000 ( 3 LEU 6 CG ) 7.0000 ( 3 LEU 6 CD1 ) 7.0000 ( 3 LEU 6 CD2 ) 7.0000 ( 3 LEU 6 C ) 7.0000 X-PLOR>vector show elem ( scatter_a4 ) ( attr scatter_a4 < 6 ) SELRPN: 75 atoms have been selected out of 199 ( 1 ARG 1 HT1 ) 0.0000 ( 1 ARG 1 HT2 ) 0.0000 ( 1 ARG 1 HT3 ) 0.0000 ( 1 ARG 1 HE ) 0.0000 ( 1 ARG 1 HH11 ) 0.0000 ( 1 ARG 1 HH12 ) 0.0000 ( 1 ARG 1 HH21 ) 0.0000 ( 1 ARG 1 HH22 ) 0.0000 ( 1 ARG 1 O ) 0.0000 ( 1 PRO 2 O ) 0.0000 ( 1 ASP 3 H ) 0.0000 ( 1 ASP 3 OD1 ) 0.0000 ( 1 ASP 3 OD2 ) 0.0000 ( 1 ASP 3 O ) 0.0000 ( 1 PHE 4 H ) 0.0000 ( 1 PHE 4 O ) 0.0000 ( 1 CYS 5 H ) 0.0000 ( 1 CYS 5 SG ) 0.0000 ( 1 CYS 5 O ) 0.0000 ( 1 LEU 6 H ) 0.0000 ( 1 LEU 6 OT1 ) 0.0000 ( 1 LEU 6 OT2 ) 0.0000 ( 1 CYS 1 HT1 ) 0.0000 ( 1 CYS 1 HT2 ) 0.0000 ( 1 CYS 1 HT3 ) 0.0000 ( 1 CYS 1 SG ) 0.0000 ( 1 CYS 1 OT1 ) 0.0000 ( 1 CYS 1 OT2 ) 0.0000 ( 1 TIP3 1 OH2 ) 0.0000 ( 1 TIP3 1 H1 ) 0.0000 ( 1 TIP3 1 H2 ) 0.0000 ( 2 ARG 1 HT1 ) 0.0000 ( 2 ARG 1 HT2 ) 0.0000 ( 2 ARG 1 HT3 ) 0.0000 ( 2 ARG 1 HE ) 0.0000 ( 2 ARG 1 HH11 ) 0.0000 ( 2 ARG 1 HH12 ) 0.0000 ( 2 ARG 1 HH21 ) 0.0000 ( 2 ARG 1 HH22 ) 0.0000 ( 2 ARG 1 O ) 0.0000 ( 2 PRO 2 O ) 0.0000 ( 2 ASP 3 H ) 0.0000 ( 2 ASP 3 OD1 ) 0.0000 ( 2 ASP 3 OD2 ) 0.0000 ( 2 ASP 3 O ) 0.0000 ( 2 PHE 4 H ) 0.0000 ( 2 PHE 4 O ) 0.0000 ( 2 CYS 5 H ) 0.0000 ( 2 CYS 5 SG ) 0.0000 ( 2 CYS 5 O ) 0.0000 ( 2 LEU 6 H ) 0.0000 ( 2 LEU 6 OT1 ) 0.0000 ( 2 LEU 6 OT2 ) 0.0000 ( 2 CYS 1 HT1 ) 0.0000 ( 2 CYS 1 HT2 ) 0.0000 ( 2 CYS 1 HT3 ) 0.0000 ( 2 CYS 1 SG ) 0.0000 ( 2 CYS 1 OT1 ) 0.0000 ( 2 CYS 1 OT2 ) 0.0000 ( 2 TIP3 1 OH2 ) 0.0000 ( 2 TIP3 1 H1 ) 0.0000 ( 2 TIP3 1 H2 ) 0.0000 ( 3 PRO 2 O ) 0.0000 ( 3 ASP 3 H ) 0.0000 ( 3 ASP 3 OD1 ) 0.0000 ( 3 ASP 3 OD2 ) 0.0000 ( 3 ASP 3 O ) 0.0000 ( 3 PHE 4 H ) 0.0000 ( 3 PHE 4 O ) 0.0000 ( 3 CYS 5 H ) 0.0000 ( 3 CYS 5 SG ) 0.0000 ( 3 CYS 5 O ) 0.0000 ( 3 LEU 6 H ) 0.0000 ( 3 LEU 6 OT1 ) 0.0000 ( 3 LEU 6 OT2 ) 0.0000 X-PLOR> X-PLOR>vector show elem ( scatter_b4 ) ( attr scatter_b4 > 7 ) SELRPN: 124 atoms have been selected out of 199 ( 1 ARG 1 N ) 9.0000 ( 1 ARG 1 CA ) 8.0000 ( 1 ARG 1 CB ) 8.0000 ( 1 ARG 1 CG ) 8.0000 ( 1 ARG 1 CD ) 8.0000 ( 1 ARG 1 NE ) 9.0000 ( 1 ARG 1 CZ ) 8.0000 ( 1 ARG 1 NH1 ) 9.0000 ( 1 ARG 1 NH2 ) 9.0000 ( 1 ARG 1 C ) 8.0000 ( 1 PRO 2 N ) 9.0000 ( 1 PRO 2 CD ) 8.0000 ( 1 PRO 2 CA ) 8.0000 ( 1 PRO 2 CB ) 8.0000 ( 1 PRO 2 CG ) 8.0000 ( 1 PRO 2 C ) 8.0000 ( 1 ASP 3 N ) 9.0000 ( 1 ASP 3 CA ) 8.0000 ( 1 ASP 3 CB ) 8.0000 ( 1 ASP 3 CG ) 8.0000 ( 1 ASP 3 C ) 8.0000 ( 1 PHE 4 N ) 9.0000 ( 1 PHE 4 CA ) 8.0000 ( 1 PHE 4 CB ) 8.0000 ( 1 PHE 4 CG ) 8.0000 ( 1 PHE 4 CD1 ) 8.0000 ( 1 PHE 4 CD2 ) 8.0000 ( 1 PHE 4 CE1 ) 8.0000 ( 1 PHE 4 CE2 ) 8.0000 ( 1 PHE 4 CZ ) 8.0000 ( 1 PHE 4 C ) 8.0000 ( 1 CYS 5 N ) 9.0000 ( 1 CYS 5 CA ) 8.0000 ( 1 CYS 5 CB ) 8.0000 ( 1 CYS 5 C ) 8.0000 ( 1 LEU 6 N ) 9.0000 ( 1 LEU 6 CA ) 8.0000 ( 1 LEU 6 CB ) 8.0000 ( 1 LEU 6 CG ) 8.0000 ( 1 LEU 6 CD1 ) 8.0000 ( 1 LEU 6 CD2 ) 8.0000 ( 1 LEU 6 C ) 8.0000 ( 1 CYS 1 N ) 9.0000 ( 1 CYS 1 CA ) 8.0000 ( 1 CYS 1 CB ) 8.0000 ( 1 CYS 1 C ) 8.0000 ( 2 ARG 1 N ) 9.0000 ( 2 ARG 1 CA ) 8.0000 ( 2 ARG 1 CB ) 8.0000 ( 2 ARG 1 CG ) 8.0000 ( 2 ARG 1 CD ) 8.0000 ( 2 ARG 1 NE ) 9.0000 ( 2 ARG 1 CZ ) 8.0000 ( 2 ARG 1 NH1 ) 9.0000 ( 2 ARG 1 NH2 ) 9.0000 ( 2 ARG 1 C ) 8.0000 ( 2 PRO 2 N ) 9.0000 ( 2 PRO 2 CD ) 8.0000 ( 2 PRO 2 CA ) 8.0000 ( 2 PRO 2 CB ) 8.0000 ( 2 PRO 2 CG ) 8.0000 ( 2 PRO 2 C ) 8.0000 ( 2 ASP 3 N ) 9.0000 ( 2 ASP 3 CA ) 8.0000 ( 2 ASP 3 CB ) 8.0000 ( 2 ASP 3 CG ) 8.0000 ( 2 ASP 3 C ) 8.0000 ( 2 PHE 4 N ) 9.0000 ( 2 PHE 4 CA ) 8.0000 ( 2 PHE 4 CB ) 8.0000 ( 2 PHE 4 CG ) 8.0000 ( 2 PHE 4 CD1 ) 8.0000 ( 2 PHE 4 CD2 ) 8.0000 ( 2 PHE 4 CE1 ) 8.0000 ( 2 PHE 4 CE2 ) 8.0000 ( 2 PHE 4 CZ ) 8.0000 ( 2 PHE 4 C ) 8.0000 ( 2 CYS 5 N ) 9.0000 ( 2 CYS 5 CA ) 8.0000 ( 2 CYS 5 CB ) 8.0000 ( 2 CYS 5 C ) 8.0000 ( 2 LEU 6 N ) 9.0000 ( 2 LEU 6 CA ) 8.0000 ( 2 LEU 6 CB ) 8.0000 ( 2 LEU 6 CG ) 8.0000 ( 2 LEU 6 CD1 ) 8.0000 ( 2 LEU 6 CD2 ) 8.0000 ( 2 LEU 6 C ) 8.0000 ( 2 CYS 1 N ) 9.0000 ( 2 CYS 1 CA ) 8.0000 ( 2 CYS 1 CB ) 8.0000 ( 2 CYS 1 C ) 8.0000 ( 3 PRO 2 N ) 9.0000 ( 3 PRO 2 CD ) 8.0000 ( 3 PRO 2 CA ) 8.0000 ( 3 PRO 2 CB ) 8.0000 ( 3 PRO 2 CG ) 8.0000 ( 3 PRO 2 C ) 8.0000 ( 3 ASP 3 N ) 9.0000 ( 3 ASP 3 CA ) 8.0000 ( 3 ASP 3 CB ) 8.0000 ( 3 ASP 3 CG ) 8.0000 ( 3 ASP 3 C ) 8.0000 ( 3 PHE 4 N ) 9.0000 ( 3 PHE 4 CA ) 8.0000 ( 3 PHE 4 CB ) 8.0000 ( 3 PHE 4 CG ) 8.0000 ( 3 PHE 4 CD1 ) 8.0000 ( 3 PHE 4 CD2 ) 8.0000 ( 3 PHE 4 CE1 ) 8.0000 ( 3 PHE 4 CE2 ) 8.0000 ( 3 PHE 4 CZ ) 8.0000 ( 3 PHE 4 C ) 8.0000 ( 3 CYS 5 N ) 9.0000 ( 3 CYS 5 CA ) 8.0000 ( 3 CYS 5 CB ) 8.0000 ( 3 CYS 5 C ) 8.0000 ( 3 LEU 6 N ) 9.0000 ( 3 LEU 6 CA ) 8.0000 ( 3 LEU 6 CB ) 8.0000 ( 3 LEU 6 CG ) 8.0000 ( 3 LEU 6 CD1 ) 8.0000 ( 3 LEU 6 CD2 ) 8.0000 ( 3 LEU 6 C ) 8.0000 X-PLOR>vector show elem ( scatter_b4 ) ( attr scatter_b4 < 7 ) SELRPN: 75 atoms have been selected out of 199 ( 1 ARG 1 HT1 ) 0.0000 ( 1 ARG 1 HT2 ) 0.0000 ( 1 ARG 1 HT3 ) 0.0000 ( 1 ARG 1 HE ) 0.0000 ( 1 ARG 1 HH11 ) 0.0000 ( 1 ARG 1 HH12 ) 0.0000 ( 1 ARG 1 HH21 ) 0.0000 ( 1 ARG 1 HH22 ) 0.0000 ( 1 ARG 1 O ) 0.0000 ( 1 PRO 2 O ) 0.0000 ( 1 ASP 3 H ) 0.0000 ( 1 ASP 3 OD1 ) 0.0000 ( 1 ASP 3 OD2 ) 0.0000 ( 1 ASP 3 O ) 0.0000 ( 1 PHE 4 H ) 0.0000 ( 1 PHE 4 O ) 0.0000 ( 1 CYS 5 H ) 0.0000 ( 1 CYS 5 SG ) 0.0000 ( 1 CYS 5 O ) 0.0000 ( 1 LEU 6 H ) 0.0000 ( 1 LEU 6 OT1 ) 0.0000 ( 1 LEU 6 OT2 ) 0.0000 ( 1 CYS 1 HT1 ) 0.0000 ( 1 CYS 1 HT2 ) 0.0000 ( 1 CYS 1 HT3 ) 0.0000 ( 1 CYS 1 SG ) 0.0000 ( 1 CYS 1 OT1 ) 0.0000 ( 1 CYS 1 OT2 ) 0.0000 ( 1 TIP3 1 OH2 ) 0.0000 ( 1 TIP3 1 H1 ) 0.0000 ( 1 TIP3 1 H2 ) 0.0000 ( 2 ARG 1 HT1 ) 0.0000 ( 2 ARG 1 HT2 ) 0.0000 ( 2 ARG 1 HT3 ) 0.0000 ( 2 ARG 1 HE ) 0.0000 ( 2 ARG 1 HH11 ) 0.0000 ( 2 ARG 1 HH12 ) 0.0000 ( 2 ARG 1 HH21 ) 0.0000 ( 2 ARG 1 HH22 ) 0.0000 ( 2 ARG 1 O ) 0.0000 ( 2 PRO 2 O ) 0.0000 ( 2 ASP 3 H ) 0.0000 ( 2 ASP 3 OD1 ) 0.0000 ( 2 ASP 3 OD2 ) 0.0000 ( 2 ASP 3 O ) 0.0000 ( 2 PHE 4 H ) 0.0000 ( 2 PHE 4 O ) 0.0000 ( 2 CYS 5 H ) 0.0000 ( 2 CYS 5 SG ) 0.0000 ( 2 CYS 5 O ) 0.0000 ( 2 LEU 6 H ) 0.0000 ( 2 LEU 6 OT1 ) 0.0000 ( 2 LEU 6 OT2 ) 0.0000 ( 2 CYS 1 HT1 ) 0.0000 ( 2 CYS 1 HT2 ) 0.0000 ( 2 CYS 1 HT3 ) 0.0000 ( 2 CYS 1 SG ) 0.0000 ( 2 CYS 1 OT1 ) 0.0000 ( 2 CYS 1 OT2 ) 0.0000 ( 2 TIP3 1 OH2 ) 0.0000 ( 2 TIP3 1 H1 ) 0.0000 ( 2 TIP3 1 H2 ) 0.0000 ( 3 PRO 2 O ) 0.0000 ( 3 ASP 3 H ) 0.0000 ( 3 ASP 3 OD1 ) 0.0000 ( 3 ASP 3 OD2 ) 0.0000 ( 3 ASP 3 O ) 0.0000 ( 3 PHE 4 H ) 0.0000 ( 3 PHE 4 O ) 0.0000 ( 3 CYS 5 H ) 0.0000 ( 3 CYS 5 SG ) 0.0000 ( 3 CYS 5 O ) 0.0000 ( 3 LEU 6 H ) 0.0000 ( 3 LEU 6 OT1 ) 0.0000 ( 3 LEU 6 OT2 ) 0.0000 X-PLOR> X-PLOR>vector show elem ( scatter_fp ) ( attr scatter_fp > 8 ) SELRPN: 124 atoms have been selected out of 199 ( 1 ARG 1 N ) 10.000 ( 1 ARG 1 CA ) 9.0000 ( 1 ARG 1 CB ) 9.0000 ( 1 ARG 1 CG ) 9.0000 ( 1 ARG 1 CD ) 9.0000 ( 1 ARG 1 NE ) 10.000 ( 1 ARG 1 CZ ) 9.0000 ( 1 ARG 1 NH1 ) 10.000 ( 1 ARG 1 NH2 ) 10.000 ( 1 ARG 1 C ) 9.0000 ( 1 PRO 2 N ) 10.000 ( 1 PRO 2 CD ) 9.0000 ( 1 PRO 2 CA ) 9.0000 ( 1 PRO 2 CB ) 9.0000 ( 1 PRO 2 CG ) 9.0000 ( 1 PRO 2 C ) 9.0000 ( 1 ASP 3 N ) 10.000 ( 1 ASP 3 CA ) 9.0000 ( 1 ASP 3 CB ) 9.0000 ( 1 ASP 3 CG ) 9.0000 ( 1 ASP 3 C ) 9.0000 ( 1 PHE 4 N ) 10.000 ( 1 PHE 4 CA ) 9.0000 ( 1 PHE 4 CB ) 9.0000 ( 1 PHE 4 CG ) 9.0000 ( 1 PHE 4 CD1 ) 9.0000 ( 1 PHE 4 CD2 ) 9.0000 ( 1 PHE 4 CE1 ) 9.0000 ( 1 PHE 4 CE2 ) 9.0000 ( 1 PHE 4 CZ ) 9.0000 ( 1 PHE 4 C ) 9.0000 ( 1 CYS 5 N ) 10.000 ( 1 CYS 5 CA ) 9.0000 ( 1 CYS 5 CB ) 9.0000 ( 1 CYS 5 C ) 9.0000 ( 1 LEU 6 N ) 10.000 ( 1 LEU 6 CA ) 9.0000 ( 1 LEU 6 CB ) 9.0000 ( 1 LEU 6 CG ) 9.0000 ( 1 LEU 6 CD1 ) 9.0000 ( 1 LEU 6 CD2 ) 9.0000 ( 1 LEU 6 C ) 9.0000 ( 1 CYS 1 N ) 10.000 ( 1 CYS 1 CA ) 9.0000 ( 1 CYS 1 CB ) 9.0000 ( 1 CYS 1 C ) 9.0000 ( 2 ARG 1 N ) 10.000 ( 2 ARG 1 CA ) 9.0000 ( 2 ARG 1 CB ) 9.0000 ( 2 ARG 1 CG ) 9.0000 ( 2 ARG 1 CD ) 9.0000 ( 2 ARG 1 NE ) 10.000 ( 2 ARG 1 CZ ) 9.0000 ( 2 ARG 1 NH1 ) 10.000 ( 2 ARG 1 NH2 ) 10.000 ( 2 ARG 1 C ) 9.0000 ( 2 PRO 2 N ) 10.000 ( 2 PRO 2 CD ) 9.0000 ( 2 PRO 2 CA ) 9.0000 ( 2 PRO 2 CB ) 9.0000 ( 2 PRO 2 CG ) 9.0000 ( 2 PRO 2 C ) 9.0000 ( 2 ASP 3 N ) 10.000 ( 2 ASP 3 CA ) 9.0000 ( 2 ASP 3 CB ) 9.0000 ( 2 ASP 3 CG ) 9.0000 ( 2 ASP 3 C ) 9.0000 ( 2 PHE 4 N ) 10.000 ( 2 PHE 4 CA ) 9.0000 ( 2 PHE 4 CB ) 9.0000 ( 2 PHE 4 CG ) 9.0000 ( 2 PHE 4 CD1 ) 9.0000 ( 2 PHE 4 CD2 ) 9.0000 ( 2 PHE 4 CE1 ) 9.0000 ( 2 PHE 4 CE2 ) 9.0000 ( 2 PHE 4 CZ ) 9.0000 ( 2 PHE 4 C ) 9.0000 ( 2 CYS 5 N ) 10.000 ( 2 CYS 5 CA ) 9.0000 ( 2 CYS 5 CB ) 9.0000 ( 2 CYS 5 C ) 9.0000 ( 2 LEU 6 N ) 10.000 ( 2 LEU 6 CA ) 9.0000 ( 2 LEU 6 CB ) 9.0000 ( 2 LEU 6 CG ) 9.0000 ( 2 LEU 6 CD1 ) 9.0000 ( 2 LEU 6 CD2 ) 9.0000 ( 2 LEU 6 C ) 9.0000 ( 2 CYS 1 N ) 10.000 ( 2 CYS 1 CA ) 9.0000 ( 2 CYS 1 CB ) 9.0000 ( 2 CYS 1 C ) 9.0000 ( 3 PRO 2 N ) 10.000 ( 3 PRO 2 CD ) 9.0000 ( 3 PRO 2 CA ) 9.0000 ( 3 PRO 2 CB ) 9.0000 ( 3 PRO 2 CG ) 9.0000 ( 3 PRO 2 C ) 9.0000 ( 3 ASP 3 N ) 10.000 ( 3 ASP 3 CA ) 9.0000 ( 3 ASP 3 CB ) 9.0000 ( 3 ASP 3 CG ) 9.0000 ( 3 ASP 3 C ) 9.0000 ( 3 PHE 4 N ) 10.000 ( 3 PHE 4 CA ) 9.0000 ( 3 PHE 4 CB ) 9.0000 ( 3 PHE 4 CG ) 9.0000 ( 3 PHE 4 CD1 ) 9.0000 ( 3 PHE 4 CD2 ) 9.0000 ( 3 PHE 4 CE1 ) 9.0000 ( 3 PHE 4 CE2 ) 9.0000 ( 3 PHE 4 CZ ) 9.0000 ( 3 PHE 4 C ) 9.0000 ( 3 CYS 5 N ) 10.000 ( 3 CYS 5 CA ) 9.0000 ( 3 CYS 5 CB ) 9.0000 ( 3 CYS 5 C ) 9.0000 ( 3 LEU 6 N ) 10.000 ( 3 LEU 6 CA ) 9.0000 ( 3 LEU 6 CB ) 9.0000 ( 3 LEU 6 CG ) 9.0000 ( 3 LEU 6 CD1 ) 9.0000 ( 3 LEU 6 CD2 ) 9.0000 ( 3 LEU 6 C ) 9.0000 X-PLOR>vector show elem ( scatter_fp ) ( attr scatter_fp < 8 ) SELRPN: 75 atoms have been selected out of 199 ( 1 ARG 1 HT1 ) 0.0000 ( 1 ARG 1 HT2 ) 0.0000 ( 1 ARG 1 HT3 ) 0.0000 ( 1 ARG 1 HE ) 0.0000 ( 1 ARG 1 HH11 ) 0.0000 ( 1 ARG 1 HH12 ) 0.0000 ( 1 ARG 1 HH21 ) 0.0000 ( 1 ARG 1 HH22 ) 0.0000 ( 1 ARG 1 O ) 0.0000 ( 1 PRO 2 O ) 0.0000 ( 1 ASP 3 H ) 0.0000 ( 1 ASP 3 OD1 ) 0.0000 ( 1 ASP 3 OD2 ) 0.0000 ( 1 ASP 3 O ) 0.0000 ( 1 PHE 4 H ) 0.0000 ( 1 PHE 4 O ) 0.0000 ( 1 CYS 5 H ) 0.0000 ( 1 CYS 5 SG ) 0.0000 ( 1 CYS 5 O ) 0.0000 ( 1 LEU 6 H ) 0.0000 ( 1 LEU 6 OT1 ) 0.0000 ( 1 LEU 6 OT2 ) 0.0000 ( 1 CYS 1 HT1 ) 0.0000 ( 1 CYS 1 HT2 ) 0.0000 ( 1 CYS 1 HT3 ) 0.0000 ( 1 CYS 1 SG ) 0.0000 ( 1 CYS 1 OT1 ) 0.0000 ( 1 CYS 1 OT2 ) 0.0000 ( 1 TIP3 1 OH2 ) 0.0000 ( 1 TIP3 1 H1 ) 0.0000 ( 1 TIP3 1 H2 ) 0.0000 ( 2 ARG 1 HT1 ) 0.0000 ( 2 ARG 1 HT2 ) 0.0000 ( 2 ARG 1 HT3 ) 0.0000 ( 2 ARG 1 HE ) 0.0000 ( 2 ARG 1 HH11 ) 0.0000 ( 2 ARG 1 HH12 ) 0.0000 ( 2 ARG 1 HH21 ) 0.0000 ( 2 ARG 1 HH22 ) 0.0000 ( 2 ARG 1 O ) 0.0000 ( 2 PRO 2 O ) 0.0000 ( 2 ASP 3 H ) 0.0000 ( 2 ASP 3 OD1 ) 0.0000 ( 2 ASP 3 OD2 ) 0.0000 ( 2 ASP 3 O ) 0.0000 ( 2 PHE 4 H ) 0.0000 ( 2 PHE 4 O ) 0.0000 ( 2 CYS 5 H ) 0.0000 ( 2 CYS 5 SG ) 0.0000 ( 2 CYS 5 O ) 0.0000 ( 2 LEU 6 H ) 0.0000 ( 2 LEU 6 OT1 ) 0.0000 ( 2 LEU 6 OT2 ) 0.0000 ( 2 CYS 1 HT1 ) 0.0000 ( 2 CYS 1 HT2 ) 0.0000 ( 2 CYS 1 HT3 ) 0.0000 ( 2 CYS 1 SG ) 0.0000 ( 2 CYS 1 OT1 ) 0.0000 ( 2 CYS 1 OT2 ) 0.0000 ( 2 TIP3 1 OH2 ) 0.0000 ( 2 TIP3 1 H1 ) 0.0000 ( 2 TIP3 1 H2 ) 0.0000 ( 3 PRO 2 O ) 0.0000 ( 3 ASP 3 H ) 0.0000 ( 3 ASP 3 OD1 ) 0.0000 ( 3 ASP 3 OD2 ) 0.0000 ( 3 ASP 3 O ) 0.0000 ( 3 PHE 4 H ) 0.0000 ( 3 PHE 4 O ) 0.0000 ( 3 CYS 5 H ) 0.0000 ( 3 CYS 5 SG ) 0.0000 ( 3 CYS 5 O ) 0.0000 ( 3 LEU 6 H ) 0.0000 ( 3 LEU 6 OT1 ) 0.0000 ( 3 LEU 6 OT2 ) 0.0000 X-PLOR> X-PLOR>vector show elem ( scatter_fdp ) ( attr scatter_fdp > 9 ) SELRPN: 124 atoms have been selected out of 199 ( 1 ARG 1 N ) 11.000 ( 1 ARG 1 CA ) 10.000 ( 1 ARG 1 CB ) 10.000 ( 1 ARG 1 CG ) 10.000 ( 1 ARG 1 CD ) 10.000 ( 1 ARG 1 NE ) 11.000 ( 1 ARG 1 CZ ) 10.000 ( 1 ARG 1 NH1 ) 11.000 ( 1 ARG 1 NH2 ) 11.000 ( 1 ARG 1 C ) 10.000 ( 1 PRO 2 N ) 11.000 ( 1 PRO 2 CD ) 10.000 ( 1 PRO 2 CA ) 10.000 ( 1 PRO 2 CB ) 10.000 ( 1 PRO 2 CG ) 10.000 ( 1 PRO 2 C ) 10.000 ( 1 ASP 3 N ) 11.000 ( 1 ASP 3 CA ) 10.000 ( 1 ASP 3 CB ) 10.000 ( 1 ASP 3 CG ) 10.000 ( 1 ASP 3 C ) 10.000 ( 1 PHE 4 N ) 11.000 ( 1 PHE 4 CA ) 10.000 ( 1 PHE 4 CB ) 10.000 ( 1 PHE 4 CG ) 10.000 ( 1 PHE 4 CD1 ) 10.000 ( 1 PHE 4 CD2 ) 10.000 ( 1 PHE 4 CE1 ) 10.000 ( 1 PHE 4 CE2 ) 10.000 ( 1 PHE 4 CZ ) 10.000 ( 1 PHE 4 C ) 10.000 ( 1 CYS 5 N ) 11.000 ( 1 CYS 5 CA ) 10.000 ( 1 CYS 5 CB ) 10.000 ( 1 CYS 5 C ) 10.000 ( 1 LEU 6 N ) 11.000 ( 1 LEU 6 CA ) 10.000 ( 1 LEU 6 CB ) 10.000 ( 1 LEU 6 CG ) 10.000 ( 1 LEU 6 CD1 ) 10.000 ( 1 LEU 6 CD2 ) 10.000 ( 1 LEU 6 C ) 10.000 ( 1 CYS 1 N ) 11.000 ( 1 CYS 1 CA ) 10.000 ( 1 CYS 1 CB ) 10.000 ( 1 CYS 1 C ) 10.000 ( 2 ARG 1 N ) 11.000 ( 2 ARG 1 CA ) 10.000 ( 2 ARG 1 CB ) 10.000 ( 2 ARG 1 CG ) 10.000 ( 2 ARG 1 CD ) 10.000 ( 2 ARG 1 NE ) 11.000 ( 2 ARG 1 CZ ) 10.000 ( 2 ARG 1 NH1 ) 11.000 ( 2 ARG 1 NH2 ) 11.000 ( 2 ARG 1 C ) 10.000 ( 2 PRO 2 N ) 11.000 ( 2 PRO 2 CD ) 10.000 ( 2 PRO 2 CA ) 10.000 ( 2 PRO 2 CB ) 10.000 ( 2 PRO 2 CG ) 10.000 ( 2 PRO 2 C ) 10.000 ( 2 ASP 3 N ) 11.000 ( 2 ASP 3 CA ) 10.000 ( 2 ASP 3 CB ) 10.000 ( 2 ASP 3 CG ) 10.000 ( 2 ASP 3 C ) 10.000 ( 2 PHE 4 N ) 11.000 ( 2 PHE 4 CA ) 10.000 ( 2 PHE 4 CB ) 10.000 ( 2 PHE 4 CG ) 10.000 ( 2 PHE 4 CD1 ) 10.000 ( 2 PHE 4 CD2 ) 10.000 ( 2 PHE 4 CE1 ) 10.000 ( 2 PHE 4 CE2 ) 10.000 ( 2 PHE 4 CZ ) 10.000 ( 2 PHE 4 C ) 10.000 ( 2 CYS 5 N ) 11.000 ( 2 CYS 5 CA ) 10.000 ( 2 CYS 5 CB ) 10.000 ( 2 CYS 5 C ) 10.000 ( 2 LEU 6 N ) 11.000 ( 2 LEU 6 CA ) 10.000 ( 2 LEU 6 CB ) 10.000 ( 2 LEU 6 CG ) 10.000 ( 2 LEU 6 CD1 ) 10.000 ( 2 LEU 6 CD2 ) 10.000 ( 2 LEU 6 C ) 10.000 ( 2 CYS 1 N ) 11.000 ( 2 CYS 1 CA ) 10.000 ( 2 CYS 1 CB ) 10.000 ( 2 CYS 1 C ) 10.000 ( 3 PRO 2 N ) 11.000 ( 3 PRO 2 CD ) 10.000 ( 3 PRO 2 CA ) 10.000 ( 3 PRO 2 CB ) 10.000 ( 3 PRO 2 CG ) 10.000 ( 3 PRO 2 C ) 10.000 ( 3 ASP 3 N ) 11.000 ( 3 ASP 3 CA ) 10.000 ( 3 ASP 3 CB ) 10.000 ( 3 ASP 3 CG ) 10.000 ( 3 ASP 3 C ) 10.000 ( 3 PHE 4 N ) 11.000 ( 3 PHE 4 CA ) 10.000 ( 3 PHE 4 CB ) 10.000 ( 3 PHE 4 CG ) 10.000 ( 3 PHE 4 CD1 ) 10.000 ( 3 PHE 4 CD2 ) 10.000 ( 3 PHE 4 CE1 ) 10.000 ( 3 PHE 4 CE2 ) 10.000 ( 3 PHE 4 CZ ) 10.000 ( 3 PHE 4 C ) 10.000 ( 3 CYS 5 N ) 11.000 ( 3 CYS 5 CA ) 10.000 ( 3 CYS 5 CB ) 10.000 ( 3 CYS 5 C ) 10.000 ( 3 LEU 6 N ) 11.000 ( 3 LEU 6 CA ) 10.000 ( 3 LEU 6 CB ) 10.000 ( 3 LEU 6 CG ) 10.000 ( 3 LEU 6 CD1 ) 10.000 ( 3 LEU 6 CD2 ) 10.000 ( 3 LEU 6 C ) 10.000 X-PLOR>vector show elem ( scatter_fdp ) ( attr scatter_fdp < 9 ) SELRPN: 75 atoms have been selected out of 199 ( 1 ARG 1 HT1 ) 0.0000 ( 1 ARG 1 HT2 ) 0.0000 ( 1 ARG 1 HT3 ) 0.0000 ( 1 ARG 1 HE ) 0.0000 ( 1 ARG 1 HH11 ) 0.0000 ( 1 ARG 1 HH12 ) 0.0000 ( 1 ARG 1 HH21 ) 0.0000 ( 1 ARG 1 HH22 ) 0.0000 ( 1 ARG 1 O ) 0.0000 ( 1 PRO 2 O ) 0.0000 ( 1 ASP 3 H ) 0.0000 ( 1 ASP 3 OD1 ) 0.0000 ( 1 ASP 3 OD2 ) 0.0000 ( 1 ASP 3 O ) 0.0000 ( 1 PHE 4 H ) 0.0000 ( 1 PHE 4 O ) 0.0000 ( 1 CYS 5 H ) 0.0000 ( 1 CYS 5 SG ) 0.0000 ( 1 CYS 5 O ) 0.0000 ( 1 LEU 6 H ) 0.0000 ( 1 LEU 6 OT1 ) 0.0000 ( 1 LEU 6 OT2 ) 0.0000 ( 1 CYS 1 HT1 ) 0.0000 ( 1 CYS 1 HT2 ) 0.0000 ( 1 CYS 1 HT3 ) 0.0000 ( 1 CYS 1 SG ) 0.0000 ( 1 CYS 1 OT1 ) 0.0000 ( 1 CYS 1 OT2 ) 0.0000 ( 1 TIP3 1 OH2 ) 0.0000 ( 1 TIP3 1 H1 ) 0.0000 ( 1 TIP3 1 H2 ) 0.0000 ( 2 ARG 1 HT1 ) 0.0000 ( 2 ARG 1 HT2 ) 0.0000 ( 2 ARG 1 HT3 ) 0.0000 ( 2 ARG 1 HE ) 0.0000 ( 2 ARG 1 HH11 ) 0.0000 ( 2 ARG 1 HH12 ) 0.0000 ( 2 ARG 1 HH21 ) 0.0000 ( 2 ARG 1 HH22 ) 0.0000 ( 2 ARG 1 O ) 0.0000 ( 2 PRO 2 O ) 0.0000 ( 2 ASP 3 H ) 0.0000 ( 2 ASP 3 OD1 ) 0.0000 ( 2 ASP 3 OD2 ) 0.0000 ( 2 ASP 3 O ) 0.0000 ( 2 PHE 4 H ) 0.0000 ( 2 PHE 4 O ) 0.0000 ( 2 CYS 5 H ) 0.0000 ( 2 CYS 5 SG ) 0.0000 ( 2 CYS 5 O ) 0.0000 ( 2 LEU 6 H ) 0.0000 ( 2 LEU 6 OT1 ) 0.0000 ( 2 LEU 6 OT2 ) 0.0000 ( 2 CYS 1 HT1 ) 0.0000 ( 2 CYS 1 HT2 ) 0.0000 ( 2 CYS 1 HT3 ) 0.0000 ( 2 CYS 1 SG ) 0.0000 ( 2 CYS 1 OT1 ) 0.0000 ( 2 CYS 1 OT2 ) 0.0000 ( 2 TIP3 1 OH2 ) 0.0000 ( 2 TIP3 1 H1 ) 0.0000 ( 2 TIP3 1 H2 ) 0.0000 ( 3 PRO 2 O ) 0.0000 ( 3 ASP 3 H ) 0.0000 ( 3 ASP 3 OD1 ) 0.0000 ( 3 ASP 3 OD2 ) 0.0000 ( 3 ASP 3 O ) 0.0000 ( 3 PHE 4 H ) 0.0000 ( 3 PHE 4 O ) 0.0000 ( 3 CYS 5 H ) 0.0000 ( 3 CYS 5 SG ) 0.0000 ( 3 CYS 5 O ) 0.0000 ( 3 LEU 6 H ) 0.0000 ( 3 LEU 6 OT1 ) 0.0000 ( 3 LEU 6 OT2 ) 0.0000 X-PLOR> X-PLOR>stop HEAP: maximum use= 921551 current use= 888107 X-PLOR: total CPU time= 0.2400 s X-PLOR: entry time at 10:28:12 04-Jun-04 X-PLOR: exit time at 10:28:12 04-Jun-04