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Enter filename containing coordinates of structure (for file containing ensemble of NMR structures enter @filename; for set of separate PDB files to be processed, enter %filelist, where filelist contains a list of PDB files to be cleaned up)old.new.alt.clnlogunknownENDMDL Processing NMR modeldelete * Number of zero-occupancy atoms (labelled ATZERO) * Number of zero-occupancy hetatoms (labelled HEZERO) * Number of alternate atoms (labelled ATALT) * Number of alternate hetatoms (labelled HEALT) * NMR ensemble comprises model structures*** ERROR opening file:* Program terminated with error* Program completedresdefs.datOLDSEQUENTIALFORMATTEDRESDUEHETNAMMAINATSIDEAT CB XXXUNKATSWAP^^^^*** ERROR. Unable to open parameter file, resdefs.dat*** ERROR. Read error on file, resdefs.dat, at line*** ERROR. Maximum number of definable residues in file resdefs.dat exceeded at residue []*** Number allowed, ABETSZ, =*** ERROR. Maximum number of definable HETATM residues in file resdefs.dat exceeded at residue [*** Number allowed, MXHTYP, =*** ERROR. Maximum number of definable residue types infile resdefs.dat exceeded at residue [*** Number allowed, SIDEAA, =*** ERROR reading atom numbers in file, resdefs.dat, at line(A)(a)(50X,I5)(12x,a4,a1,4x,a6,27x,f6.2)ATOM MODEL HETATM*** Warning. MODEL contains no atomsa OXT NXTILE CD CD1GLN OE OE1GLU** Unrecognized atom type [ in residue END TER MASTER*** Total number of extra lines in file*** Maximum allowed *** Number of lines lost unknown amino acid code*** Maximum number of chain-breaks exceededZEROATALT CA *** ERROR in supplied name of file: [MODELHELIX SHEET TURN SSBONDSCRATCHSEQRES *** Warning. Maximum number of different types of residue in SEQRES records, MAXTYP, exceededHEADERCOMPNDSOURCE *** ERROR reading NMR file while looking for MODEL record *** Data error in MODEL number *** Error at line after ENDMDL record for model *** Maximum number of models exceeded *** Model found: Maxmimum allowed:*** Warning. Maximum number of extra residue details exceeded. Some data lost!Floating ExceptionIOT TrapQuit signalInterruptKilledTrace trapbad stringformat too complicated: unknown code in do_fio: %d %s do_fiofmtstartiosfeendfilestartintinwriterecendlist output startbackspacerr+wwmalloc failureopenfort.%ldno spacesdfus_catread startwrite startnmLbuf overflownon-positive record numbercan't append to file'new' file existscan't write filecan't read filesubscript out of boundssubstring out of boundsinvalid array sectionsubscript for scalar variablevariable count incorrectno end recordvariable not in namelistbad namelist namebad variable typebad logical input fieldread unexpected characterout of free spaceincomprehensible list inputtruncation failed in endfileoff end of recordunit not connectedcan't stat filenull file namecan't backspace filesequential io not alloweddirect io not allowedunformatted io not allowedformatted io not allowedillegal unit numbererror in format%s: illegal error number %d %s: end of file %s: %s apparent state: unit %d named %s (unnamed) apparent state: internal I/O last format: %s externalinternalformattedunformattedsequentialdirectreadingwritinglately %s %s %s %s IO%s 0123456789ABCDEFe%ldrd_ed, unexpected code: %d rd_ned, unexpected code: %d left offw_ed, unexpected code: %d w_ned, unexpected code: %d bad repetition countinvalid integerexponent fieldinvalid numbercomplex formatlreadno starno real partno commano imaginary partno )logicalundelimited character stringlist iostlerliolist in%.9Gunknown type in liomalloc(%u) failure in %s %#.*E%+.2d+00%#.*f@@f@? ܥL@6???$@@CA4B? ~y3`224  2PF@yD? (2<FPZd N CA C O CG AD1 AD2 CG AD1 AD2 CG CD AE1 AE2 ldamino.datchain.datACEANIBZOCBZCLTFORNH2PHORHATFATOS NHMYRBOC ABCDEFGHIJKLZ abcdefghijklz +0++++0++++0++(a)( Working on Brookhaven file ,a, . . . )( **** Unable to open output file ",a,")( **** Unable to open the Brookhaven file ",a,")( **** Unable to open output file ",a,")( Total number of residues changed and total number, of residues:)( Total number of residues that need to be changed and t,otal number of residues:)(5x,a3,2i6)( **** C-alpha only file)( **** Error while reading file)(**** Error opening file ",a," for output.)(//, Clean-up program CLEAN - Written by David Keith Smith,, 1989.,/, Amended by Roman Laskowski,, 1992.,//)(a)(a)@Υ ٢ ҥ @`(a)(10x,3i2)l`qpP`qpP CB (21x,a1)(12x,a4,a1,a3,1x,a6,27x,2f6.2)(12x,a4,5x,a6,27x,f6.2)(6x,i5,1x,a4,a1,4x,a6,3x,3f8.3,2f6.2)(a)( **** Too many amino acids - input terminated.)(ENDMDL)   S  `qyP`qPqBqBqBqB`qPqB `qP`q PqB  ( ",a3,":,a)\( Chain letter change but no chain break between ,i4,2x,a6, and ,i4,2x,a6)( Chain break between ,i4, (,a6,) and ,i4, (,a6,))  CB (a6,i5,1x,a4,a1,a3,1x,a6,3x,3f8.3,2f6.2)(a6,i5,1x,a4,a1,a3,1x,a6,3x,3f8.3,2f6.2,1x,a1,a1,a4,a1)(a66)(MASTER,i6)(END)(a6,i5,1x,a4,a1,a3,1x,a6,3x,3f8.3,2f6.2,1x,a1,a1,4x,a1)( distg1 is,2f10.2)( distg2 is,2f10.2)( **** ILE residue has wrong chirality at CB,1x,i4)( * Side chain atoms swapped for residues:)( * Side chain atoms should be swapped for the following, residues:,/, * As this is an NMR ensemble the swap has not been made)(a3,1x,a6,1x)(1x,*,1x,a)( WARNING: Number of atoms/hetatms in new file differs, from old file - ,/,10x, new number = ,i5,/,10x, old number = ,i5)( Number of alternate mainchain atoms is ,i5)( Number of alternate sidechain atoms is ,i5) x@ԯ @      ,ԯ(a6,i5,1x,a4,1x,a3,1x,a6,3x,3f8.3,2f6.2,1x,a1,a1)(a66)(MASTER,i6)(END)( WARNING: Number of atoms/hetatms in new file differs, from old file - ,/,10x, new number = ,i5,/,10x, old number = ,i5)    @ &( Average value of CA-N-C-CB angle is ,f6.2,/, Standard deviation is ,f6.2)(a, <,a,> - )(a)(a)(11x,i3)(18x,13(1x,a3))(9x,a1,a40,12x,a4)(9x,a1,a50)(9x,a1,a50)HHxLPHxUPxePxxPxP`8xh8 y`|    `@ `@ `@ `0123456789ABCDEF"!#namelist inputrealloc failureZtJJ=yyyyyz3zMzgzzzzzz{{7{Q{k{{{{{{|!|;|U|o|||||| }%}?}Y}s}}}}}}yy$yy(ylypy0yhy,y@yyytyy yyy yy4yxyy|yp%y,<D%yt%yT)X%yT%yP9l%y@%y`%yh%yH%yL%y\%yP%yd%y%x%y h|%y@H%y%y%y%y%y%y%y%y%y%y%y1 dp0 d0 d0% d0D <S r  D0D0D0D0D0D0D0D0D0D0D0D0D0D0D1D1D1D!1D/1D;1D@1DE1DQ1DW1DZ1Da1Dh1Dp1D1D 1D 1 $0  * 6 A M @Y @e @n @w @ @ 0 1 $ 1D&1D)1D+1D,1 $&1 ' 1 1 $, - . / 0# nJ og &u &z d1   ~   231E0V1 2( `2N  U $\ (c ,i 0o 4u 8| < @ D H L P T X \ ` d h  Ġ  h l p|%-4;DO@Zepʢz٢ `@ @Υ"ҥ. 6 ĺ< ȺB ̺I Q Y a j (s ,| @    ` r @r     n o  `    ' 1 < %G &R &] 'h w's '~ e' ' ' ' 9 @9 `: F: m: m: `; ; ;  ; ;# p;. t;9 ;D ;O ;Z <e <p <{ < < < < < R /W Z ^ e e @e `e  f i$ q0 q< qH qT q` pql tqx xq q q @q q q q q q 8q <q @q Dq Hq  Lq, Pq8 TqDإQ^kx(<PdxȦܦ ',5@CTQh_|m{̧0DXlp! `q+ q5 q? qI qS q^ qi qt q|Ԩ$8 L`(t2y@N\jx S q q q q q q q q q q q q q q& q2 q> qJ $qV (qb ,qn 0qz 4q 8q <q @q Cq `q q q q q q q  q q" "q. &q: ,qF`Ttbp~Īت 8Ph &4ثBP^l0zD 0q 4qX\ 8qp <q @q Dq Hq Lq . ;`ItW Pq` Tqjt,@x@Ưԯ*8FT Xq] \qd `qk dqr hqz lq pq tq xq q Xx Xx Xx Xx Xx Xx Xx Xx Xx  Xx Xx$ Xx0 Xx< xH xT x` xl xx x `x x x x @x lx px tx |x$ 8L(`6tDR`nı|ر(<Pdx$Ȳ2 x; xB xM xY xe xq&@ x x x x x x xijس+9G(U x^ xe xl xu x @x |x x x x<HXh x  x  x  x%  x0 >  xE  $xL  (xS  ,x\  0xc q   4x  @x  @x  Dx      Hx  Lx  Px  Tx  Xx  \x! `x!4!H*!L7!UD!eQ!x^!k! dxt! x~! x! x! x! x! x! 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