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More than characters in (continued) line *** *** Parsing truncated line beginning with:CommentHLPWIN Can't open file Data STANDARD PDB COORDINATE SETTING WILL BE ASSUMED IF NO SCALE CARDS PRESENT IN INPUT COORDINATE FILE(1X,A)(A,I4,2F6.1,4(/,4F10.3)) NSYM REAL RECIP ROT**SYMMETRY OPERATOR ERROR**(80A1) ERROR: in XYZADVANCE file has not been openedCRYSSCALTERATOM (I5)(I4) ERROR: in XYZATOM file has not been opened D (6I7)(3F8.3,2F6.2) ERROR: in XYZCOORD has not been opened*** Cannot convert to fractional coord. ****** Cannot convert from fract. to ortho. coordinates ***ANISOUCBINCHTMLCCP_PROGRAM_IDCCP_SUPPRESS_HTMLCCP_SUPPRESS_SUMMARYCCPNUN: Can't find an unused unit(' **CCPOPN ERROR** Invalid parameters in call',/)**CCPOPN ERROR** Invalid parameters in callDATAPRINTERTERMCCP4_OPENUNKNOWNNL:nl:/dev/nullUNFORMATTEDFORMATTEDSEQUENTIALDIRECTDELETEWORDSFORTRANCCPOPN Logical name has no associated file name Open failed: File: Logical name: , Filename: ERROR in s/r GETELAPSED calling ETIME(1X, A)()UGERR4.2.24.2(Z8.8)(I5.5)Non standard logical name Too many logical namesundeflibprtbesdicCLIBDCLIBD:CLIBD not defined/.scrscrCCP4_SCRCCP4_SCR:CCP4_SCR not definedinCannot find file Cannot create environment variable Cannot create logical name ERRWIN*** Warning*** Error*** Program Terminated *** Unrecognised errorProgram continuing ...(A,I4,A) ***** WARNING - MORE THAN ITEMS IN THIS LINE - IGNORING THE REST**** ERROR: in WREMARK file has not been openedATOMHETATER (I8)(a,i3,4(/,4f10.3))(a,i4,a,2(/a,4(/,4f10.3)))(6X,3F9.3,3F7.2,1x,a15)(1X,4F8.3,5X,4F8.3)(10X,3F10.6,5X,F10.6)(A,F15.4)(A,I3)(A,I3,A) *** ERROR: too many coordinate files open. *** ERROR: : does not existCIFPDBREMARK 290555 remark 290 Symmetry operators from symop.lib and remark 290 inputdo not match: Remark 290 symop.lib Problem with symmetry match No Space group given on PDB CRYST1 line Changing "rhombhedral" to "hexagonal" Changing "hexagonal" to "rhombhedral" MATRICES DERIVED FROM CRYST1 CARD IN COORDINATE FILE RF RO Unit cell volume generated from SCALEi cards Percentage error is Error in rwbrook.f - disagreement between cell and PDB file No unit cell volume currently stored MATRICES DERIVED FROM SCALE CARDS IN COORDINATE FILE RF RO Warning - No ORTH code ORTHOGONALISATION CODE: TRANSLATIONS ALSO SPECIFIED NO CRYST CARDS READ FROM NO SCALE CARDS READ FROM BYTESUSERLOGNAMECUNLINK: Can't unlinkCCPALC: can't allocate memory; **** Incorrect (0.0) CELL element in subroutine rbfro1?? ****(1X,A,A,A)(A,I5)(A,I4,A,I4,A)(A,A,A,A) 1MSYMLB3: the supplied spacegroup name "" is an integerMSYMLB3: resetting spacegroup number to MSYMLB3: Error in format of SYMOP file: PABIHRCUPGHEMSYMLB3: Problem with sym op - determinant ne -+1 space group numberMSYMLB3: Spacegroup returned as zero - the supplied spacegroup name was not found in the SYMOP file Symm operators and have a problem.MSYMLB3: No symmetry information for space group MSYMLB3: Symmetry operators are not a closed group Something wrong for space group numberw+r+rMemory allocation failedCCP4_USTENV: Memory allocation failedCCP4_QOPEN: can't open CCP4_QOPEN: error unlinking CCP4_QOPEN: fseek failed onNATIVEMTZCONVERT_FROMBEIEEELEIEEEVAXCONVEXNATIVECCP4_QRARCH: seek failed on CCP4_QRARCH: can't read machine stamp in CCP4_QWARCH: seek failed on CCP4_QWARCH: can't write machine stamp to CCP4_QCLOSE: qopen not yet calledCCP4_QCLOSE: failed on CCP4_QMODE: qopen not yet calledCCP4_QMODE: bad modeCCP4_QREAD: qopen not yet calledCCP4_QREAD: seek error on file CCP4_QREAD: i/o error on CCP4_QREAD: bad file real type in conversionCCP4_QREAD: bad file integer type in conversionCCP4_QREAD: bad native real type in conversionCCP4_QREAD: Bad modeCCP4_QREADC: qopen not yet calledCCP4_QREADC: seek error on file CCP4_QREAD:C i/o error on CCP4_QWRITE: qopen not yet calledCCP4_QWRITE: seek failed on CCP4_QWRITE: i/o error (may be out of disc space): CCP4_QWRITC: qopen not yet calledCCP4_QWRITC: seek failed onCCP4_QWRITC: i/o error (may be out of disc space): CCP4_QSEEK: qopen not yet calledCCP4_QSEEK failed -- maybe corrupt file: CCP4_REWIND: qopen not yet calledCCP4_REWIND failed -- maybe corrupt file: CCP4_QBACK: qopen not yet calledCCP4_QBACK failed on CCP4_QSKIP: qopen not yet calledCCP4_QSKIP failed on CCP4_QINQ: qopen not yet calledCCP4_QINQ: seek failed on CCP4_QLOCATE: qopen not yet calledCCP4_ISNAN: bad nativeFT%oFailure in ccp4mallocFailure in ccp4reallocFailure in ccp4calloc(1X,A,I3,A,I3)(A,4X,I4)(A,4X)(A,4X,I3)(4(2X,F8.3))(I4,A)CURWIN Reciprocal space symmetry operator same as PG23PG432PG422PG321PG622PG312PG222PG2APG2PG1PG2CPG3PG4PG6 Number of primitive symmetry operators Number of symmetry operators The point group for these symmetry operators is Resorted symmetry( all primitives first) **** ICENTR gives axis of centering ***** No centering (P spacegroups) Centering around a-axis (A spacegroups) Centering around b-axis (B spacegroups) Centering around c-axis (C spacegroups) Centering on all faces (F spacegroups) Body centering (I spacegroups) Rhombohedral centering (R spacegroups with hexagonal axes) (NOTE: R-spacegroups with rhombohedral axes have ICENTR = 0 !) **** Screw axes are: ***** fold screw axis along A fold screw axis along B fold screw axis along C *** KLASS: a crystal class name used in MDF files *** TRICLINIC 1_BAR (PG1) sgs 1 MONOCLINIC I 2/M (PG2) B-UNIQUE sgs 3 - 5 ORTHORHOMBIC MMM (PG222) sgs 16 - 24 TETRAGONAL I 4/M (PG4) sgs 75 - 80 TETRAGONAL II 4/MMM (PG422) sgs 89 - 98 TRIGONAL I 3_BAR (PG3)HEXAGONAL AXES sgs 143-146 TRIGONAL II 3_BAR (??) RHOMBOHEDRAL AXES sgs 146 TRIGONAL III 3_BAR1M (PG312) sgs 149,151,153 TRIGONAL IV 3_BARM1 (PG321)HEXAGONAL AXES sgs 150,152,154,155 TRIGONAL V 3_BARM1 (??)RHOMBOHEDRAL AXES sgs 155 HEXAGONAL I 6/M (PG6) sgs 168 - 173 HEXAGONAL II 6/MMM (PG622) sgs 177 - 182 CUBIC I M3_BAR (PG23) sgs 195 - 199 CUBIC II M3_BARM (PG432) sgs 207 - 214 MONOCLINIC II 2/M (PG2c) C UNIQUE sgs 3 - 5 MONOCLINIC III 2/M (PG2a) A UNIQUE sgs 3 - 5Floating ExceptionIOT TrapQuit signalInterruptKilledTrace trapbad stringformat too complicated: unknown code in do_fio: %d %s do_fiofmtdo_usdo_udstartiosfebad repetition countinvalid integerexponent fielde%ldinvalid numbercomplex formatlreadno starno real partno commano imaginary partno )logicalno spaceundelimited character stringlist iostlerliolist inread startsuestartwrite startendfilestartintinwriterecendlist output startrewinds_catNOYESZEROr+wwmalloc failureopenfort.%ldsdfuSTOP statement executed getenv_nmLbuf 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 0123456789ABCDEFrd_ed, unexpected code: %d rd_ned, unexpected code: %d left offw_ed, unexpected code: %d w_ned, unexpected code: %d %.9Gunknown type in liomalloc(%u) failure in %s %#.*E%+.2d+00%#.*fo:?a 6;fff?L>?R?'7 A@@>@F=.8L=BB ף< #<B??MbP?@z? _š?$@@2`54p4d ,(@o@ ? ( --- KONNERT-HENDRICKSON modified by E.J.D. YORK -,/, Program dimensioned a la MIKE ELDER - MAXCOR is ,i8, Requires ,i8,/, This allows for,/,5x,i5, Atoms in TOTAL,/,5x,i5, Residues per CHAIN,/,5x,i5, CHAINS,/,6x,Dictionary sets MAXGRP MAXATM MAXDIS as ,3i5,/, Maximum Number of Non-Standard PLANES ,/, in Multiplanargroups = ,i5, (MXNST),/, Maximum Number of Main Chain ATOMS = ,i5, (MXM),/, Maximum Number of Chain TYPES = ,i5, (MXT),/, Maximum Number of Atoms in a PLANE = ,i5, (MXP),/, Maximum Number of Atom pairs in a PLANAR GROUP = ,i5, (MXAP),/, Maximum Number of Multiplanar Groups = ,i5, (MXMP),/, Maximum Number of CHIRAL CENTRES = ,i5, (MXCH))( Maximum Number of Intra-Chain Special Distances = ,i5, (MXDG),/, Maximum Number of Inter-Chain Special Distances = ,i5, (MXDC),/, Maximum Number of Disulphide Bridges = ,i5, (MXSS),/, Maximum Number of Non crystallographic matrices = ,i5, (MNONX),/, Maximum Number of Main/Terminal Groups = ,i5, (MXMT),/, Maximum Number of Distances in Dictionary = ,i5, (MXDST),/, Maximum Number of vanderWaal Contacts = ,i5, (MXVDW))`c ALA ARG ASN ASP CYS GLN GLU GLY HIS ILE LEU LYS MET PHE PRO SER THR TRP TYR VAL ALPHA HELIX (3.6/13) 1 -64.0 -40.0 3-10 HELIX (3.0/10) 2 -75.5 -4.5 PI HELIX (4.4/16) 3 -57.1 -69.7 COLLAGEN-TYPE HELIX 4 -64. 145. PARALLEL BETA SHEET 5 -119. 113. ANTI-PARALLEL BETA 6 -139. 135. CLASSIC BETA-BULGE 1 7 -95. -65. CLASSIC BETA-BULGE 2 8 -130. 150. BETA-BEND I (1-4) 2 9 -70. -30. BETA-BEND I (1-4) 3 10 -90. 10. BETA-BEND II (1-4) 2 11 -60. 130. BETA-BEND II (1-4) 3 12 80. 0. GAMMA-TURN (1-3) 1 13 172. 128. GAMMA-TURN (1-3) 2 14 68. -61. GAMMA-TURN (1-3) 3 15 -131. 162. C N O S FE H P I C-SP2OW ( KEYWORD ,a, NOT KNOWN - IGNORED)(i6,2(5x,i8,5x,a,i5,i6),/, Number of Special Multiplanar Groups = ,i4,/, Residue Numbers: ,6i5)(/, Number of cis Peptide Bonds (and/or D Residues) = ,i2,/, Residue Numbers: ,6i5)(/, Number of Glycosylated Residues = ,i2,/, Residue Numbers: ,6i5)(5x,a1,5x,i6,6x,i7,6x,2(i5,1x,a1),i7)(//, van der Waals cutoff distance = ,f7.2,/, Number of Main Chain atoms restrained to a Plane = ,i3,/, Listing Flag = ,i3,/, Hydrogen Atom treatment flag = ,i3,/, Anisotropic Temperature Flag = ,i3,/, Number of VDW Table Entries to change = ,i3)(//, Distances checked for atoms pairs with occ.sum >= ,f7.2)(//, Distances checked for atoms pairs of same confomer )(//, Distances checked for all atoms to these residues ,/,10(i6,2x,a1))(//, van-der-Waals Contact Distances,//, Code Type Distance,/,100(/ ,i2,3x,a5,f8.2))@kkll @`l@ @` mno@oo@t d(a4,2i3,4i5)( **** ERROR ****,/, Group no. ,i4, is called,1x,a4, on the chiral card, but is called,1x,a4, in the atom ,deck.)( ***ERROR: Number of Chiral Center types exceeds ,available storage)( ---- Dictionary of Chiral Centers ----,/)(i3,2x,a4,i3,2x,4a4,f10.3)( Center number 1 specifies the Alpha-carbon center for, all Handed amino acids.,//, IABS CODE: 1 = Absolute specification by ideal group,/, 0 = Magnitude specification by ideal group, ,/, Sign specification by model)rr`sss t(a4,6x,3i5)( **** ERROR ****,/, Group no. ,i4, is called,1x,a4, on the Distance card, but is called,1x,a4, in the atom, deck.)(8(2i3,2i2))( ***ERROR: Link Group Identifier, IPEP = ,i3,, Outside allowed range of 1 to 5)( **** ERROR ****,/, Atom No. ,i4, for distance no. ,i4, of Residue ,a4, exceeds the highest atom no., ,i4,, ,for that residue.)( ---- Dictionary of Distance Restraints ----,/)(i3,2x,a4,2x,6(3x,a4,-,a4,i2,f5.2),/(11x,6(3x,a4,-,a4,i2,f5.2)))(// MXDST too small - set to ,i4, required ,i5)uu@v@vu@v`vvv`wwwx@ (a4,i3,i3)(5(i4,4i3))( ---- Dictionary of Ellipsoid Orientation ,Specifications ----,/)(i3,2x,a4,2x,3(5x,a4,1x,P(,a4,-,a4,),S(,a4,-,a4,)),/(11x,3(5x,a4,1x,P(,a4,-,a4,),S(,a4,-,a4,))))Py[y[yyy0123456789(//, MXAP too small - set to ,i4, Required,i5)z (a4,i2,2i3,17i4)(// *** ERROR *** MXP Too small - MXP set to ,i4, required,i5)( **** ERROR ****,/, Group no.,i4, is called,1x,a4, on the Planes card, but is called,1x,a4, in the atom ,deck.)( **** ERROR ****,/, The Link Group Plane has more than 6 Atoms.)(16i5)(//, MXNST too small - too many multiplanar, groups in dictionary.)( ---- Dictionary of Planar Groups ----,/)(//1x, ***ERROR - SR Planes: Array Bounds for Group ,i3,/, IP= ,i5, (RANGE 1-MIAO),/, J = ,i5, (RANGE 1-MXG)- MXG=,i3,/, IA= ,i5, (RANGE 1-MXAG)-MXAG=,i3)(i3,2x,a4,2x,17(1x,a4))<{`{{@|||{}@}}}@ ( ----- Atomic Coordinates -----,/)(/, *Warning* Unidentified Chain for Residue ,i4, - Reset to 1)( **** ERROR ****,/, Atom Name ,a4, Given for Residue No.,i4,/, is not among those in the standard table for the ,a4, Group. ATOM OMITTED.)( **** ERROR ****,/, A Duplicate of Atom ,a4, For Residue ,a4,i3,/, has been detected. Atom OMITTED.)(a1,i4,a3,a1)(1x,i7,2x,a4,1x,i2,2x,a4,2i3,i4,3f9.4,2f8.3,2x,a2,1x,a10)( ***ERROR: , Group Name ,a3, ,a1, given for Residue No.,i4,/, is NOT among those in the table of standard groups.)(//, ***Warning: , Not ALL Atoms specified in the Special Distance Restraints ,/, are Present in the Input Coordinates,/, (Remember ZERO Occupancy Atoms are Ignored),/, check atom identifiers given on spec cards,/, for reference,,i3, Intra-Chain Special Distances out of ,i3, Specified,/, have been found and ,i3, Inter-Chain Distances out of ,i3, Specified)@ @@Y `    (//, The following Atoms are missing from the deck of ,atomic Coordinates ---,//)(1x,a4, of ,a4,i4)( ----- Interatomic Distances -----,/)(i6,2i5,i4,a4, to ,i4,a4,2f8.3,2i4,2x,a1)(// Disulphide Distances)( Exclude IRES IATOM JRES JATOM ICH APACK,/12x,2i5,8x,2i5,2x,i5,f17.1)( Exclude ICHN IRES IATOM JCHN JRES JATOM IPR APACK,/7x,3i5,3x,3i5,2x,i5,f17.1)( ***ERROR: Insufficient space for storage of,/, Special Distance Data,/,6x,ICH, NDIG, MAXDIG, IPR, NDIC, MAXDIC = ,6i5) ``` ``` ( ----- Planar Groups -----/)(i5,1x,a4,i4,2x,14(i4,a4))(14x,16i6)( ----- Chiral Centers -----,/)(i5,1x,a4,i4,2x,4(i4,a4),2x,6i6,2x,2f8.3)( Suglnk** ,i5,2x,4i5,2x,6i5,f12.5)!<!<!<!<`(/, ----- Possible van der Waals contacts -----,/, NoVDW-Atom nos.- ATNAM1 ATNAM2 Dideal Dmodel KOD ISYM TX TY TZ)(i8,2i5,i4,a4,a1, to ,i4,a4,a1,2f7.3,i3,i4,1x,3i3,2x,a1)( **** ERROR ****,/, NO PARENT atom found for HYDROGEN ,/, in possible NON-BONDED contact between ,a4, and ,a4)    ``    Alpha Helix (3.6/13) 1 -64.0 -40.0 3-10 Helix (3.0/10) 2 -75.5 -4.5 PI Helix (4.4/16) 3 -57.1 -69.7 Collagen-Type Helix 4 -64. 145. Parallel Beta Sheet 5 -119. 113. Anti-Parallel Beta 6 -139. 135. Classic Beta-Bulge 1 7 -95. -65. Classic Beta-Bulge 2 8 -130. 150. Beta-Bend I (1-4) 2 9 -70. -30. Beta-Bend I (1-4) 3 10 -90. 10. Beta-Bend II (1-4) 2 11 -60. 130. Beta-Bend II (1-4) 3 12 80. 0. Gamma-Turn (1-3) 1 13 172. 128. Gamma-Turn (1-3) 2 14 68. -61. Gamma-Turn (1-3) 3 15 -131. 162. ( ----- Torsion Angles -----,/)(2x,a1,i3,i4,4x,14(i4,a4))(4x,i5,i4,5x,4(i4,a4),2x,6i6,i8,f6.1)    ( --- Non-Crystallographic Symmetries ---,/)(//, Non-Crystallographic Symmetry, No. of Chains = ,i3,/, Transformations known Flag = ,i2,/, Chain Numbers: ,10i5)(i6,i5,2x,4(i5,a4))( ---- Thermal Ellipsoid Specifiers ----,/)(i6,i5,i7,a4,4x,4(i4,a4,1x))(/, --------------------------,/, ***** Summary Counts *****,/, --------------------------,/,i9, Atoms,/,i9, Distances,/,i9, Planes,/,i9, Chiral Centers,/,i9, Possible Contacts,/,i9, Present Contacts,/,i9, Torsion Angles,/,i9, Non Crystallographic Symmetry sets,/,i9, Thermal Ellipsoid Specifiers,/,i9, Variable Occupancy Factors,/,i9, Symmetry operators used to generate VDW Distances,2000(/ Symmetry Operator,i4,4(/4x,4f8.3))) @`@n(3f10.5,10x,4i5,5x,a4,a1,5x,a4,a1)(//, MXG TOO SMALL - MXG SET TO ,i4, REQUIRED,i5)( --- Dictionary of Standard GROUPS ---,//10x,20i5)(i3,2x,a8,a1,2x,20(1x,a4),/(62x,10(1x,a4)))(// ***ERROR: Group ,i4, Contains atom number ,i3,/, but MXAG IS ,i3,/, Recompile program increasing parameter MXAG) `( ***ERROR: No parent atom found for Hydrogen ,a4) (//, ***ERROR: in Sugar linkages, check input)( Carbohydrate Linkage, Chiral no ,i6, Written)5< - (a4,2i3,14i5)( **** ERROR ****,/, Group No. ,i4, is called,1x,a4, on the Torsion card, but is called,1x,a4, in the atom, deck.)(10x,6i5)(6i4,2(4x,6i4))( ---- Dictionary of Conformational Torsion Angles, ----,//22x,PHI PSI OMEGA,18x,5(3x,CHI),/60x,1,5x,2,5x,3,5x,4,5x,5)(i3,2x,a4,4x,a3,5( - ,a3),4x,15a3)(//, ---- Dictionary of Secondary Structures ----,/, Structural Element Code PHI PSI,/)(5a4,i4,2f8.1)(7x,5a4,i5,f9.1,f8.1))@ (a4,6x,3i5)( **** ERROR ****,/,A group has,i6, vdw distances, which is too many.,/,1x,Redimension arrays ,IAO,JAO throughout the program)( **** ERROR ****,/, Group no. ,i4, is called,1x,a4, on the contacts card, but is called,1x,a4, in the atom deck.)(10(2i3,i2))( **** ERROR ****,/, Atom no.,i4, for contact no.,i4, of residue ,a4, exceeds the highest atom no., ,i4,, for that residue.)( ---- Dictionary of Potential Contact Restraints , ----,/)(i3,2x,a4,2x,8(3x,a4,-,a4,i2),/,(11x,8(3x,a4,-,a4,i2)))(// MXVDW too small - set to ,i4, Required,i5)    `()()()()`UNKNOWN SCRATCH OLD NEW READONLYPRINTER F U DFDU  environ.def default.def (a)@F @F @F@ iiabcdefghijklmnopqrstuvwxyzABCDEFGHIJKLMNOPQRSTUVWXYZ@G`dG`   G (a, line--- ,a)   `$G0`$G0ALA ARG ASN ASP CYS CYH GLN GLU GLY HIS ILE LEU LYS MET PHE PRO SER THR TRP TYR VAL HEM WAT SUL END DUM ARNDCCQEGHILKMFPSTWYVXOUZZ  1234567890(/ **SYMMETRY OPERATOR ERROR**)( **INVALID CHARACTER...,a1, **)( **BLANK OPERATOR FIELD**)(/ **NO OPERATOR**)( **LAST GENERAL POSITION IS INCOMPLETE**)@!e!!!!PCRYST1SCALE TER ATOM HETATMANISOUEND (CRYST1,3f9.3,3f7.2,1x,a15)(2(SCALE,i1,4x,3f10.6,5x, 0.00000,/),SCALE,i1,4x,3f10.6,5x, 0.00000) "+` " "CRYST1SCALE TER ATOM HETATMANISOUEND 0123456789*'"+G#@ #B,@$*@ $$UNKNOWNUNKNOWNOLD NEW OLD UNKNOWN( Open failed: Unit:,i4,, File: ,a, (logical: ,a,))( **CCPOPN ERROR** ,a,3x,a, file open failure on unit ,i3,/ Logical name: ,a,, ,File name: ,a/1x,a/)(a,3x,a, file opened on unit ,i3)&`/G ()() (/,/,/,/,1##########################################################,#####,/, ##########################################################,#####,/, ##########################################################,#####,/, ### CCP4 ,a3,: ,a17,2x,version ,a,: ,a8,##,/, ##########################################################,#####,/, User: ,a, Run date: ,a8, Run time:,a,/,/,/, Please reference: Collaborative Computational Project,, Number 4. 1994.,/, "The CCP4 Suite: Programs for Protein, Crystallography". Acta Cryst. D50, 760-763.,/,/, as well as any specific reference in the program write-up.,/,/)( Times: User: ,f9.1,s System: ,f6.1,s Elapsed:,i5,:,i2.2) @)`)@)( ,a,: ,a)t  4G)4G*$@'" #!0123456789+-*/E.e  =, 7G-( ,a)```  HHELIBE B C N O FNENAMGALSI P SCLAR KCASCTI VCRMNFECONICUZNGAGEASSEBRKRRBSR YZRNBMOTCRURHPDAGCDINSNSBTE IXECSBALACEPRNDPMSMEUGDTBDYHOERTMYBLUHFTA WREOSIRPTAUHGTLPBBIPOATRNFRRAACTHPA UNPPUAMCMBKCFESFM DAN0H1H2H3H4H5H6H7H8H9HHH*H'H"H A (6x,i5,11x,i4)( *AMBIGUOUS ATOMIC FORMFACTOR ,a4, IN ,a4,1x,a4, ASSIGNED AS ,a2, *)( *UNKNOWN ATOMIC FORMFACTOR ,a4, IN ,a4,1x,a4,*)(30x,3f8.3,2f6.2)(28x,6i7)p@ϹP@Gd@Gd@Gd@G@dp@xPp@PPE1E2E3A // XO, C* // ZO (STANDARD PDB) B // XO, A* // ZO C // XO, B* // ZO HEX A+B // XO, C* // ZO A* // XO, C // ZO (ROLLETT) A // XO, B* // YO  "z@...p@/P \G /Xp@@/P \G`/X \G`/X \G X \G /X \G/X \G/X \GX \GX(

)(i2,/,i2,/,i2)(i2,2(:,i2.2))abcdefghijklmnopqrstuvwxyzABCDEFGHIJKLMNOPQRSTUVWXYZ( Inconsistency in Cell Dimensions - replacing old:,/, Old cell:,3x,6f10.5,/, New cell:,3x,6f10.5)? 6 G@6		`6 G G6 G G$Id: library.c,v 1.62 2002/06/14 12:31:51 ccb Exp $::;: ;( In PGDEFN: Nsym = ,i6)GG`DGDGDGDGDGDG	GEGEGEG	H, ,++p,+"!#namelist inputrealloc failuredeTUTHtuxsv4t(4h ; ;UUUU@G[ZZZZ`Z@Z ZZYYYY`YY@Y YYXXXX`X@X XXWWWW`W@W0123456789ABCDEF"<Vp&@Zt*D^x.Hb|2Lf6Pj QY*W	RPV H@L@Q@HHP VY`,W@YPWMWM0KTXMPY0PY@Y`<]Y`YЯ@`@p@`@@@`@@@@@~@@@,@0@@(@@@@@4@@@@@@@@8@P@L@<@D@@@H@@h@(d@\@@X@T@@`@p@x@l@@@x@@@@@@@@@x@\4Wd2_d2d2d2<``D2D
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