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TITLE THE CRYSTAL STRUCTURE OF N4-METHYLCYTOSINE.GUANOSIN BASE-
TITLE 2 PAIRS IN THE SYNTHETIC HEXANUCLEOTIDE D(CGCGM(4)CG)
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: DNA (5'-D(*CP*GP*CP*GP*(C34)P*G)-3');
COMPND 3 CHAIN: A, B;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES
KEYWDS Z-DNA, DOUBLE HELIX, MODIFIED
EXPDTA X-RAY DIFFRACTION
AUTHOR A.R.CERVI,A.GUY,G.A.LEONARD,R.TEOULE,W.N.HUNTER
REVDAT 3 24-FEB-09 133D 1 VERSN
REVDAT 2 01-APR-03 133D 1 JRNL
REVDAT 1 15-JAN-94 133D 0
JRNL AUTH A.R.CERVI,A.GUY,G.A.LEONARD,R.TEOULE,W.N.HUNTER
JRNL TITL THE CRYSTAL STRUCTURE OF
JRNL TITL 2 N4-METHYLCYTOSINE.GUANOSINE BASE-PAIRS IN THE
JRNL TITL 3 SYNTHETIC HEXANUCLEOTIDE D(CGCGM4CG).
JRNL REF NUCLEIC ACIDS RES. V. 21 5623 1993
JRNL REFN ISSN 0305-1048
JRNL PMID 8284207
JRNL DOI 10.1093/NAR/21.24.5623
REMARK 1
REMARK 2
REMARK 2 RESOLUTION. 1.80 ANGSTROMS.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : NUCLSQ, X-PLOR
REMARK 3 AUTHORS : WESTHOF,DUMAS,MORAS
REMARK 3
REMARK 3 DATA USED IN REFINEMENT.
REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.80
REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 8.00
REMARK 3 DATA CUTOFF (SIGMA(F)) : 1.000
REMARK 3 COMPLETENESS FOR RANGE (%) : NULL
REMARK 3 NUMBER OF REFLECTIONS : 1495
REMARK 3
REMARK 3 FIT TO DATA USED IN REFINEMENT.
REMARK 3 CROSS-VALIDATION METHOD : NULL
REMARK 3 FREE R VALUE TEST SET SELECTION : NULL
REMARK 3 R VALUE (WORKING + TEST SET) : 0.189
REMARK 3 R VALUE (WORKING SET) : NULL
REMARK 3 FREE R VALUE : NULL
REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL
REMARK 3 FREE R VALUE TEST SET COUNT : NULL
REMARK 3
REMARK 3 FIT/AGREEMENT OF MODEL WITH ALL DATA.
REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : NULL
REMARK 3 R VALUE (WORKING SET, NO CUTOFF) : NULL
REMARK 3 FREE R VALUE (NO CUTOFF) : NULL
REMARK 3 FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : NULL
REMARK 3 FREE R VALUE TEST SET COUNT (NO CUTOFF) : NULL
REMARK 3 TOTAL NUMBER OF REFLECTIONS (NO CUTOFF) : NULL
REMARK 3
REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.
REMARK 3 PROTEIN ATOMS : 0
REMARK 3 NUCLEIC ACID ATOMS : 240
REMARK 3 HETEROGEN ATOMS : 2
REMARK 3 SOLVENT ATOMS : 49
REMARK 3
REMARK 3 B VALUES.
REMARK 3 FROM WILSON PLOT (A**2) : NULL
REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL
REMARK 3 OVERALL ANISOTROPIC B VALUE.
REMARK 3 B11 (A**2) : NULL
REMARK 3 B22 (A**2) : NULL
REMARK 3 B33 (A**2) : NULL
REMARK 3 B12 (A**2) : NULL
REMARK 3 B13 (A**2) : NULL
REMARK 3 B23 (A**2) : NULL
REMARK 3
REMARK 3 ESTIMATED COORDINATE ERROR.
REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL
REMARK 3 ESD FROM SIGMAA (A) : NULL
REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL
REMARK 3
REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES.
REMARK 3 DISTANCE RESTRAINTS. RMS SIGMA
REMARK 3 SUGAR-BASE BOND DISTANCE (A) : 0.019 ; NULL
REMARK 3 SUGAR-BASE BOND ANGLE DISTANCE (A) : 0.025 ; NULL
REMARK 3 PHOSPHATE BONDS DISTANCE (A) : 0.028 ; NULL
REMARK 3 PHOSPHATE BOND ANGLE, H-BOND (A) : 0.029 ; NULL
REMARK 3
REMARK 3 PLANE RESTRAINT (A) : NULL ; NULL
REMARK 3 CHIRAL-CENTER RESTRAINT (A**3) : NULL ; NULL
REMARK 3
REMARK 3 NON-BONDED CONTACT RESTRAINTS.
REMARK 3 SINGLE TORSION CONTACT (A) : NULL ; NULL
REMARK 3 MULTIPLE TORSION CONTACT (A) : NULL ; NULL
REMARK 3
REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA
REMARK 3 SUGAR-BASE BONDS (A**2) : NULL ; NULL
REMARK 3 SUGAR-BASE ANGLES (A**2) : NULL ; NULL
REMARK 3 PHOSPHATE BONDS (A**2) : NULL ; NULL
REMARK 3 PHOSPHATE BOND ANGLE, H-BOND (A**2) : NULL ; NULL
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 133D COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
REMARK 200
REMARK 200 EXPERIMENTAL DETAILS
REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION
REMARK 200 DATE OF DATA COLLECTION : NULL
REMARK 200 TEMPERATURE (KELVIN) : 295.00
REMARK 200 PH : 6.50
REMARK 200 NUMBER OF CRYSTALS USED : NULL
REMARK 200
REMARK 200 SYNCHROTRON (Y/N) : N
REMARK 200 RADIATION SOURCE : ROTATING ANODE
REMARK 200 BEAMLINE : NULL
REMARK 200 X-RAY GENERATOR MODEL : RIGAKU RU200
REMARK 200 MONOCHROMATIC OR LAUE (M/L) : NULL
REMARK 200 WAVELENGTH OR RANGE (A) : NULL
REMARK 200 MONOCHROMATOR : NULL
REMARK 200 OPTICS : NULL
REMARK 200
REMARK 200 DETECTOR TYPE : DIFFRACTOMETER
REMARK 200 DETECTOR MANUFACTURER : RIGAKU AFC-5
REMARK 200 INTENSITY-INTEGRATION SOFTWARE : NULL
REMARK 200 DATA SCALING SOFTWARE : NULL
REMARK 200
REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 2994
REMARK 200 RESOLUTION RANGE HIGH (A) : 1.500
REMARK 200 RESOLUTION RANGE LOW (A) : NULL
REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL
REMARK 200
REMARK 200 OVERALL.
REMARK 200 COMPLETENESS FOR RANGE (%) : NULL
REMARK 200 DATA REDUNDANCY : NULL
REMARK 200 R MERGE (I) : NULL
REMARK 200 R SYM (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : NULL
REMARK 200
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL
REMARK 200 COMPLETENESS FOR SHELL (%) : NULL
REMARK 200 DATA REDUNDANCY IN SHELL : NULL
REMARK 200 R MERGE FOR SHELL (I) : NULL
REMARK 200 R SYM FOR SHELL (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR SHELL : NULL
REMARK 200
REMARK 200 DIFFRACTION PROTOCOL: NULL
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL
REMARK 200 SOFTWARE USED: NULL
REMARK 200 STARTING MODEL: NULL
REMARK 200
REMARK 200 REMARK: NULL
REMARK 280
REMARK 280 CRYSTAL
REMARK 280 SOLVENT CONTENT, VS (%): NULL
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): NULL
REMARK 280
REMARK 280 CRYSTALLIZATION CONDITIONS: PH 6.50, VAPOR DIFFUSION,
REMARK 280 TEMPERATURE 277.00K
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21
REMARK 290
REMARK 290 SYMOP SYMMETRY
REMARK 290 NNNMMM OPERATOR
REMARK 290 1555 X,Y,Z
REMARK 290 2555 -X+1/2,-Y,Z+1/2
REMARK 290 3555 -X,Y+1/2,-Z+1/2
REMARK 290 4555 X+1/2,-Y+1/2,-Z
REMARK 290
REMARK 290 WHERE NNN -> OPERATOR NUMBER
REMARK 290 MMM -> TRANSLATION VECTOR
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY
REMARK 290 RELATED MOLECULES.
REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 8.99000
REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 22.38000
REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 15.38500
REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 22.38000
REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 8.99000
REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 15.38500
REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000
REMARK 290
REMARK 290 REMARK: NULL
REMARK 300
REMARK 300 BIOMOLECULE: 1
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON
REMARK 300 BURIED SURFACE AREA.
REMARK 350
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS
REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.
REMARK 350
REMARK 350 BIOMOLECULE: 1
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B
REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT
REMARK 500
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.
REMARK 500
REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE
REMARK 500 O HOH A 34 O HOH A 52 2.10
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: CLOSE CONTACTS
REMARK 500
REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC
REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15
REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A
REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375
REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE
REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS.
REMARK 500
REMARK 500 DISTANCE CUTOFF:
REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS
REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS
REMARK 500
REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE
REMARK 500 O HOH A 28 O HOH A 61 2664 2.00
REMARK 500 OP1 DG B 8 O HOH A 43 3756 2.19
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS
REMARK 500
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)
REMARK 500
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996
REMARK 500
REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION
REMARK 500 DG A 2 O4' DG A 2 C1' 0.085
REMARK 500 DG B 8 P DG B 8 O5' 0.070
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES
REMARK 500
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)
REMARK 500
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996
REMARK 500
REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3
REMARK 500 DC A 1 C5' - C4' - C3' ANGL. DEV. = 7.5 DEGREES
REMARK 500 DC A 1 O4' - C1' - N1 ANGL. DEV. = 5.7 DEGREES
REMARK 500 DC A 1 N3 - C4 - C5 ANGL. DEV. = -2.7 DEGREES
REMARK 500 DG A 2 O5' - C5' - C4' ANGL. DEV. = -10.5 DEGREES
REMARK 500 DG A 2 O4' - C4' - C3' ANGL. DEV. = 4.9 DEGREES
REMARK 500 DG A 2 C6 - N1 - C2 ANGL. DEV. = -3.9 DEGREES
REMARK 500 DG A 2 C5 - C6 - N1 ANGL. DEV. = 3.4 DEGREES
REMARK 500 DC A 3 OP1 - P - OP2 ANGL. DEV. = -9.7 DEGREES
REMARK 500 DC A 3 O4' - C1' - N1 ANGL. DEV. = 4.4 DEGREES
REMARK 500 DG A 2 C3' - O3' - P ANGL. DEV. = 13.0 DEGREES
REMARK 500 DG A 4 O5' - C5' - C4' ANGL. DEV. = -8.0 DEGREES
REMARK 500 DG A 4 C5 - C6 - N1 ANGL. DEV. = 3.2 DEGREES
REMARK 500 DG A 6 O5' - C5' - C4' ANGL. DEV. = -6.4 DEGREES
REMARK 500 DG A 6 O4' - C1' - N9 ANGL. DEV. = 2.0 DEGREES
REMARK 500 DG A 6 N1 - C2 - N2 ANGL. DEV. = -5.6 DEGREES
REMARK 500 DG A 6 N3 - C2 - N2 ANGL. DEV. = 4.7 DEGREES
REMARK 500 DG A 6 N1 - C6 - O6 ANGL. DEV. = -4.6 DEGREES
REMARK 500 DG B 8 O5' - C5' - C4' ANGL. DEV. = -6.4 DEGREES
REMARK 500 DG B 8 P - O5' - C5' ANGL. DEV. = -11.3 DEGREES
REMARK 500 DG B 8 O4' - C1' - N9 ANGL. DEV. = 2.0 DEGREES
REMARK 500 DG B 8 C6 - N1 - C2 ANGL. DEV. = -4.3 DEGREES
REMARK 500 DG B 8 C5 - C6 - N1 ANGL. DEV. = 4.3 DEGREES
REMARK 500 DC B 9 OP1 - P - OP2 ANGL. DEV. = -10.5 DEGREES
REMARK 500 DC B 9 O5' - C5' - C4' ANGL. DEV. = -9.6 DEGREES
REMARK 500 DC B 9 O4' - C1' - C2' ANGL. DEV. = -9.5 DEGREES
REMARK 500 DC B 9 O4' - C1' - N1 ANGL. DEV. = 3.5 DEGREES
REMARK 500 DG B 8 C3' - O3' - P ANGL. DEV. = 15.8 DEGREES
REMARK 500 DG B 10 O5' - P - OP2 ANGL. DEV. = 7.6 DEGREES
REMARK 500 DG B 10 O4' - C1' - N9 ANGL. DEV. = 3.7 DEGREES
REMARK 500 DG B 10 C5 - C6 - N1 ANGL. DEV. = 3.2 DEGREES
REMARK 500 DG B 10 N1 - C6 - O6 ANGL. DEV. = -4.0 DEGREES
REMARK 500 DC B 9 C3' - O3' - P ANGL. DEV. = -10.1 DEGREES
REMARK 500 DG B 12 O5' - C5' - C4' ANGL. DEV. = -12.2 DEGREES
REMARK 500 DG B 12 C4' - C3' - C2' ANGL. DEV. = -5.4 DEGREES
REMARK 500 DG B 12 O4' - C1' - N9 ANGL. DEV. = 8.4 DEGREES
REMARK 500 DG B 12 C6 - N1 - C2 ANGL. DEV. = -5.6 DEGREES
REMARK 500 DG B 12 N1 - C2 - N3 ANGL. DEV. = 3.9 DEGREES
REMARK 500 DG B 12 C5 - C6 - N1 ANGL. DEV. = 4.7 DEGREES
REMARK 500
REMARK 500 REMARK: NULL
DBREF 133D A 1 6 PDB 133D 133D 1 6
DBREF 133D B 7 12 PDB 133D 133D 7 12
SEQRES 1 A 6 DC DG DC DG C34 DG
SEQRES 1 B 6 DC DG DC DG C34 DG
MODRES 133D C34 A 5 DC
MODRES 133D C34 B 11 DC
HET C34 A 5 20
HET C34 B 11 20
HETNAM C34 N4-METHYL-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE
FORMUL 1 C34 2(C10 H16 N3 O7 P)
FORMUL 3 HOH *49(H2 O)
LINK O3' DG A 4 P C34 A 5 1555 1555 1.58
LINK O3' C34 A 5 P DG A 6 1555 1555 1.61
LINK O3' DG B 10 P C34 B 11 1555 1555 1.63
LINK O3' C34 B 11 P DG B 12 1555 1555 1.64
CRYST1 17.980 30.770 44.760 90.00 90.00 90.00 P 21 21 21 8
ORIGX1 1.000000 0.000000 0.000000 0.00000
ORIGX2 0.000000 1.000000 0.000000 0.00000
ORIGX3 0.000000 0.000000 1.000000 0.00000
SCALE1 0.055617 0.000000 0.000000 0.00000
SCALE2 0.000000 0.032499 0.000000 0.00000
SCALE3 0.000000 0.000000 0.022341 0.00000
ATOM 1 O5' DC A 1 19.782 17.856 18.365 1.00 8.72 O
ATOM 2 C5' DC A 1 20.067 16.631 19.068 1.00 2.28 C
ATOM 3 C4' DC A 1 18.884 15.804 19.296 1.00 10.33 C
ATOM 4 O4' DC A 1 17.809 16.493 19.878 1.00 9.34 O
ATOM 5 C3' DC A 1 18.291 14.914 18.249 1.00 6.02 C
ATOM 6 O3' DC A 1 18.030 13.579 18.705 1.00 8.90 O
ATOM 7 C2' DC A 1 17.040 15.699 17.846 1.00 2.00 C
ATOM 8 C1' DC A 1 16.592 16.296 19.139 1.00 14.95 C
ATOM 9 N1 DC A 1 15.743 17.496 19.050 1.00 9.59 N
ATOM 10 C2 DC A 1 14.370 17.302 19.001 1.00 3.83 C
ATOM 11 O2 DC A 1 13.877 16.179 19.050 1.00 4.43 O
ATOM 12 N3 DC A 1 13.568 18.391 18.911 1.00 7.66 N
ATOM 13 C4 DC A 1 14.062 19.662 18.884 1.00 2.40 C
ATOM 14 N4 DC A 1 13.228 20.681 18.817 1.00 2.00 N
ATOM 15 C5 DC A 1 15.468 19.862 18.942 1.00 4.58 C
ATOM 16 C6 DC A 1 16.252 18.776 19.018 1.00 2.90 C
ATOM 17 P DG A 2 19.082 12.376 18.522 1.00 14.01 P
ATOM 18 OP1 DG A 2 19.924 12.708 17.344 1.00 19.00 O
ATOM 19 OP2 DG A 2 18.365 11.068 18.392 1.00 10.19 O
ATOM 20 O5' DG A 2 19.981 12.416 19.842 1.00 22.16 O
ATOM 21 C5' DG A 2 19.382 12.213 21.171 1.00 2.11 C
ATOM 22 C4' DG A 2 20.639 12.462 22.040 1.00 6.95 C
ATOM 23 O4' DG A 2 20.976 13.782 21.718 1.00 2.00 O
ATOM 24 C3' DG A 2 20.368 12.323 23.494 1.00 6.38 C
ATOM 25 O3' DG A 2 20.540 11.120 24.184 1.00 33.82 O
ATOM 26 C2' DG A 2 20.950 13.542 24.108 1.00 9.41 C
ATOM 27 C1' DG A 2 21.297 14.465 23.020 1.00 14.46 C
ATOM 28 N9 DG A 2 20.556 15.720 22.998 1.00 5.76 N
ATOM 29 C8 DG A 2 21.081 17.007 23.051 1.00 2.00 C
ATOM 30 N7 DG A 2 20.190 17.942 22.989 1.00 15.78 N
ATOM 31 C5 DG A 2 18.982 17.265 22.890 1.00 13.08 C
ATOM 32 C6 DG A 2 17.646 17.723 22.787 1.00 9.91 C
ATOM 33 O6 DG A 2 17.264 18.896 22.743 1.00 3.46 O
ATOM 34 N1 DG A 2 16.703 16.736 22.702 1.00 11.18 N
ATOM 35 C2 DG A 2 17.059 15.410 22.716 1.00 8.02 C
ATOM 36 N2 DG A 2 16.045 14.520 22.622 1.00 17.96 N
ATOM 37 N3 DG A 2 18.282 14.920 22.810 1.00 9.39 N
ATOM 38 C4 DG A 2 19.199 15.896 22.895 1.00 15.14 C
ATOM 39 P DC A 3 19.521 10.037 24.721 1.00 56.78 P
ATOM 40 OP1 DC A 3 20.226 8.809 25.316 1.00 35.26 O
ATOM 41 OP2 DC A 3 18.708 9.628 23.517 1.00 13.77 O
ATOM 42 O5' DC A 3 18.660 10.705 25.916 1.00 25.20 O
ATOM 43 C5' DC A 3 17.588 9.819 26.458 1.00 24.01 C
ATOM 44 C4' DC A 3 16.401 10.699 26.699 1.00 4.46 C
ATOM 45 O4' DC A 3 16.793 11.979 27.156 1.00 13.17 O
ATOM 46 C3' DC A 3 15.466 10.899 25.540 1.00 2.00 C
ATOM 47 O3' DC A 3 14.113 10.616 25.912 1.00 17.42 O
ATOM 48 C2' DC A 3 15.652 12.388 25.218 1.00 6.76 C
ATOM 49 C1' DC A 3 15.912 12.969 26.569 1.00 5.24 C
ATOM 50 N1 DC A 3 16.536 14.305 26.476 1.00 6.00 N
ATOM 51 C2 DC A 3 15.675 15.376 26.359 1.00 7.89 C
ATOM 52 O2 DC A 3 14.431 15.237 26.314 1.00 7.32 O
ATOM 53 N3 DC A 3 16.218 16.640 26.279 1.00 2.00 N
ATOM 54 C4 DC A 3 17.545 16.837 26.301 1.00 6.35 C
ATOM 55 N4 DC A 3 17.993 18.090 26.225 1.00 3.91 N
ATOM 56 C5 DC A 3 18.431 15.717 26.435 1.00 7.79 C
ATOM 57 C6 DC A 3 17.868 14.511 26.498 1.00 2.82 C
ATOM 58 P DG A 4 13.681 9.099 26.225 1.00 31.84 P
ATOM 59 OP1 DG A 4 14.186 8.262 25.097 1.00 30.25 O
ATOM 60 OP2 DG A 4 12.160 9.090 26.292 1.00 18.93 O
ATOM 61 O5' DG A 4 14.416 8.693 27.536 1.00 39.21 O
ATOM 62 C5' DG A 4 14.114 8.991 28.893 1.00 16.38 C
ATOM 63 C4' DG A 4 14.977 7.939 29.636 1.00 20.57 C
ATOM 64 O4' DG A 4 16.317 8.062 29.197 1.00 4.65 O
ATOM 65 C3' DG A 4 14.918 8.108 31.126 1.00 20.28 C
ATOM 66 O3' DG A 4 14.030 7.228 31.762 1.00 37.82 O
ATOM 67 C2' DG A 4 16.353 8.016 31.583 1.00 16.94 C
ATOM 68 C1' DG A 4 17.184 8.126 30.343 1.00 5.58 C
ATOM 69 N9 DG A 4 17.886 9.425 30.361 1.00 9.19 N
ATOM 70 C8 DG A 4 19.248 9.634 30.401 1.00 2.00 C
ATOM 71 N7 DG A 4 19.573 10.896 30.410 1.00 2.00 N
ATOM 72 C5 DG A 4 18.365 11.560 30.352 1.00 2.29 C
ATOM 73 C6 DG A 4 18.057 12.960 30.343 1.00 4.97 C
ATOM 74 O6 DG A 4 18.872 13.890 30.370 1.00 10.50 O
ATOM 75 N1 DG A 4 16.723 13.250 30.285 1.00 11.20 N
ATOM 76 C2 DG A 4 15.754 12.274 30.258 1.00 7.25 C
ATOM 77 N2 DG A 4 14.510 12.754 30.200 1.00 3.41 N
ATOM 78 N3 DG A 4 15.979 10.945 30.285 1.00 3.49 N
ATOM 79 C4 DG A 4 17.306 10.674 30.325 1.00 4.85 C
HETATM 80 P C34 A 5 12.525 7.431 32.191 1.00 53.00 P
HETATM 81 OP1 C34 A 5 12.295 6.219 33.060 1.00 44.35 O
HETATM 82 OP2 C34 A 5 11.549 7.474 31.037 1.00 32.38 O
HETATM 83 O5' C34 A 5 12.465 8.822 32.975 1.00 19.48 O
HETATM 84 C5' C34 A 5 11.518 8.969 34.067 1.00 7.10 C
HETATM 85 C4' C34 A 5 11.396 10.474 34.282 1.00 2.00 C
HETATM 86 O4' C34 A 5 12.617 10.926 34.823 1.00 2.30 O
HETATM 87 C1' C34 A 5 12.946 12.231 34.255 1.00 18.12 C
HETATM 88 N1 C34 A 5 14.429 12.268 34.139 1.00 4.08 N
HETATM 89 C6 C34 A 5 15.179 11.136 34.165 1.00 2.00 C
HETATM 90 C2 C34 A 5 15.013 13.530 33.982 1.00 8.00 C
HETATM 91 O2 C34 A 5 14.314 14.539 33.959 1.00 10.42 O
HETATM 92 N3 C34 A 5 16.360 13.597 33.856 1.00 2.00 N
HETATM 93 C4 C34 A 5 17.137 12.471 33.897 1.00 4.95 C
HETATM 94 N4 C34 A 5 18.464 12.588 33.771 1.00 2.87 N
HETATM 95 C7 C34 A 5 19.365 11.434 33.942 1.00 2.00 C
HETATM 96 C5 C34 A 5 16.520 11.191 34.053 1.00 3.03 C
HETATM 97 C2' C34 A 5 12.455 11.985 32.764 1.00 2.00 C
HETATM 98 C3' C34 A 5 11.121 11.302 33.069 1.00 9.31 C
HETATM 99 O3' C34 A 5 10.180 12.385 33.288 1.00 12.37 O
ATOM 100 P DG A 6 8.652 12.093 33.700 1.00 25.65 P
ATOM 101 OP1 DG A 6 8.104 11.173 32.706 1.00 10.52 O
ATOM 102 OP2 DG A 6 8.007 13.453 33.785 1.00 18.53 O
ATOM 103 O5' DG A 6 8.844 11.403 35.123 1.00 35.32 O
ATOM 104 C5' DG A 6 8.154 11.757 36.345 1.00 25.04 C
ATOM 105 C4' DG A 6 7.517 10.450 36.766 1.00 11.83 C
ATOM 106 O4' DG A 6 8.416 9.379 36.582 1.00 29.12 O
ATOM 107 C3' DG A 6 7.041 10.357 38.212 1.00 33.41 C
ATOM 108 O3' DG A 6 5.926 9.440 38.404 1.00 18.39 O
ATOM 109 C2' DG A 6 8.316 9.828 38.905 1.00 23.51 C
ATOM 110 C1' DG A 6 8.834 8.865 37.876 1.00 17.27 C
ATOM 111 N9 DG A 6 10.304 8.785 37.943 1.00 3.45 N
ATOM 112 C8 DG A 6 11.045 7.609 38.037 1.00 2.00 C
ATOM 113 N7 DG A 6 12.318 7.828 38.055 1.00 2.00 N
ATOM 114 C5 DG A 6 12.437 9.234 37.952 1.00 5.14 C
ATOM 115 C6 DG A 6 13.577 10.068 37.921 1.00 2.00 C
ATOM 116 O6 DG A 6 14.753 9.797 37.974 1.00 2.00 O
ATOM 117 N1 DG A 6 13.285 11.413 37.822 1.00 8.69 N
ATOM 118 C2 DG A 6 12.002 11.889 37.751 1.00 2.37 C
ATOM 119 N2 DG A 6 12.000 13.225 37.652 1.00 2.00 N
ATOM 120 N3 DG A 6 10.916 11.136 37.773 1.00 9.08 N
ATOM 121 C4 DG A 6 11.194 9.822 37.867 1.00 3.38 C
TER 122 DG A 6
ATOM 123 O5' DC B 7 19.449 20.154 36.815 1.00 9.59 O
ATOM 124 C5' DC B 7 19.035 18.850 37.294 1.00 2.66 C
ATOM 125 C4' DC B 7 17.611 18.665 36.779 1.00 3.57 C
ATOM 126 O4' DC B 7 17.433 17.364 36.309 1.00 11.48 O
ATOM 127 C3' DC B 7 16.536 18.899 37.773 1.00 2.00 C
ATOM 128 O3' DC B 7 15.418 19.613 37.249 1.00 10.44 O
ATOM 129 C2' DC B 7 16.069 17.483 38.145 1.00 2.00 C
ATOM 130 C1' DC B 7 16.223 16.764 36.815 1.00 2.00 C
ATOM 131 N1 DC B 7 16.567 15.333 36.999 1.00 6.11 N
ATOM 132 C2 DC B 7 15.540 14.459 37.334 1.00 6.99 C
ATOM 133 O2 DC B 7 14.388 14.856 37.482 1.00 11.56 O
ATOM 134 N3 DC B 7 15.866 13.145 37.486 1.00 2.54 N
ATOM 135 C4 DC B 7 17.113 12.683 37.321 1.00 2.00 C
ATOM 136 N4 DC B 7 17.379 11.394 37.486 1.00 2.18 N
ATOM 137 C5 DC B 7 18.165 13.594 36.967 1.00 3.86 C
ATOM 138 C6 DC B 7 17.841 14.880 36.820 1.00 10.02 C
ATOM 139 P DG B 8 15.082 21.114 37.482 1.00 19.47 P
ATOM 140 OP1 DG B 8 15.668 21.687 38.744 1.00 33.89 O
ATOM 141 OP2 DG B 8 13.625 21.216 37.375 1.00 21.77 O
ATOM 142 O5' DG B 8 15.889 21.859 36.233 1.00 11.75 O
ATOM 143 C5' DG B 8 15.430 21.277 34.913 1.00 12.79 C
ATOM 144 C4' DG B 8 16.423 21.881 33.906 1.00 8.07 C
ATOM 145 O4' DG B 8 17.673 21.290 34.228 1.00 8.35 O
ATOM 146 C3' DG B 8 16.125 21.628 32.456 1.00 21.08 C
ATOM 147 O3' DG B 8 15.461 22.607 31.708 1.00 24.61 O
ATOM 148 C2' DG B 8 17.491 21.277 31.865 1.00 4.44 C
ATOM 149 C1' DG B 8 18.365 20.945 33.006 1.00 7.81 C
ATOM 150 N9 DG B 8 18.866 19.573 33.078 1.00 3.48 N
ATOM 151 C8 DG B 8 20.177 19.176 33.087 1.00 2.00 C
ATOM 152 N7 DG B 8 20.332 17.880 33.181 1.00 4.83 N
ATOM 153 C5 DG B 8 19.053 17.373 33.266 1.00 4.33 C
ATOM 154 C6 DG B 8 18.550 16.053 33.395 1.00 2.80 C
ATOM 155 O6 DG B 8 19.219 15.007 33.449 1.00 12.36 O
ATOM 156 N1 DG B 8 17.187 15.939 33.463 1.00 8.21 N
ATOM 157 C2 DG B 8 16.378 17.059 33.404 1.00 8.45 C
ATOM 158 N2 DG B 8 15.053 16.850 33.480 1.00 2.00 N
ATOM 159 N3 DG B 8 16.797 18.320 33.279 1.00 8.54 N
ATOM 160 C4 DG B 8 18.129 18.413 33.216 1.00 9.14 C
ATOM 161 P DC B 9 13.992 22.813 31.180 1.00 34.74 P
ATOM 162 OP1 DC B 9 13.872 24.068 30.338 1.00 33.96 O
ATOM 163 OP2 DC B 9 13.136 22.967 32.429 1.00 9.64 O
ATOM 164 O5' DC B 9 13.541 21.564 30.325 1.00 15.30 O
ATOM 165 C5' DC B 9 12.446 21.699 29.340 1.00 8.71 C
ATOM 166 C4' DC B 9 12.095 20.213 29.134 1.00 4.30 C
ATOM 167 O4' DC B 9 13.228 19.490 28.700 1.00 11.40 O
ATOM 168 C3' DC B 9 11.687 19.545 30.437 1.00 8.55 C
ATOM 169 O3' DC B 9 10.655 18.539 30.208 1.00 11.67 O
ATOM 170 C2' DC B 9 13.017 18.865 30.853 1.00 2.70 C
ATOM 171 C1' DC B 9 13.392 18.259 29.465 1.00 3.22 C
ATOM 172 N1 DC B 9 14.825 17.865 29.577 1.00 2.00 N
ATOM 173 C2 DC B 9 15.067 16.514 29.797 1.00 19.31 C
ATOM 174 O2 DC B 9 14.132 15.696 29.882 1.00 17.35 O
ATOM 175 N3 DC B 9 16.371 16.111 29.900 1.00 2.42 N
ATOM 176 C4 DC B 9 17.394 16.994 29.806 1.00 6.35 C
ATOM 177 N4 DC B 9 18.643 16.524 29.927 1.00 3.96 N
ATOM 178 C5 DC B 9 17.126 18.382 29.591 1.00 2.00 C
ATOM 179 C6 DC B 9 15.846 18.748 29.488 1.00 7.10 C
ATOM 180 P DG B 10 9.168 19.268 30.168 1.00 34.56 P
ATOM 181 OP1 DG B 10 9.096 20.117 31.431 1.00 27.67 O
ATOM 182 OP2 DG B 10 8.265 18.133 30.097 1.00 18.33 O
ATOM 183 O5' DG B 10 9.260 20.244 28.906 1.00 23.25 O
ATOM 184 C5' DG B 10 8.825 19.733 27.604 1.00 28.90 C
ATOM 185 C4' DG B 10 8.857 20.862 26.610 1.00 25.91 C
ATOM 186 O4' DG B 10 9.902 21.767 26.829 1.00 9.45 O
ATOM 187 C3' DG B 10 8.880 20.437 25.151 1.00 18.20 C
ATOM 188 O3' DG B 10 7.613 20.314 24.546 1.00 19.32 O
ATOM 189 C2' DG B 10 9.945 21.259 24.502 1.00 8.19 C
ATOM 190 C1' DG B 10 10.572 22.080 25.589 1.00 6.88 C
ATOM 191 N9 DG B 10 12.018 21.905 25.688 1.00 4.03 N
ATOM 192 C8 DG B 10 12.951 22.908 25.719 1.00 2.23 C
ATOM 193 N7 DG B 10 14.195 22.487 25.818 1.00 5.10 N
ATOM 194 C5 DG B 10 14.064 21.090 25.836 1.00 6.96 C
ATOM 195 C6 DG B 10 15.042 20.074 25.925 1.00 3.93 C
ATOM 196 O6 DG B 10 16.277 20.173 25.992 1.00 16.22 O
ATOM 197 N1 DG B 10 14.540 18.791 25.920 1.00 4.49 N
ATOM 198 C2 DG B 10 13.217 18.542 25.844 1.00 4.04 C
ATOM 199 N2 DG B 10 12.906 17.256 25.876 1.00 7.31 N
ATOM 200 N3 DG B 10 12.241 19.484 25.755 1.00 8.79 N
ATOM 201 C4 DG B 10 12.742 20.721 25.755 1.00 2.61 C
HETATM 202 P C34 B 11 7.061 18.834 24.148 1.00 32.15 P
HETATM 203 OP1 C34 B 11 5.572 18.810 24.018 1.00 38.03 O
HETATM 204 OP2 C34 B 11 7.501 18.040 25.325 1.00 29.59 O
HETATM 205 O5' C34 B 11 7.794 18.616 22.734 1.00 18.83 O
HETATM 206 C5' C34 B 11 7.478 17.576 21.803 1.00 15.51 C
HETATM 207 C4' C34 B 11 8.564 16.560 21.726 1.00 2.00 C
HETATM 208 O4' C34 B 11 9.806 17.053 21.274 1.00 20.13 O
HETATM 209 C1' C34 B 11 10.885 16.597 22.138 1.00 5.31 C
HETATM 210 N1 C34 B 11 11.942 17.600 22.232 1.00 3.42 N
HETATM 211 C6 C34 B 11 11.709 18.948 22.219 1.00 2.00 C
HETATM 212 C2 C34 B 11 13.255 17.124 22.326 1.00 7.07 C
HETATM 213 O2 C34 B 11 13.510 15.908 22.335 1.00 2.00 O
HETATM 214 N3 C34 B 11 14.244 18.034 22.411 1.00 2.00 N
HETATM 215 C4 C34 B 11 14.033 19.357 22.380 1.00 2.00 C
HETATM 216 N4 C34 B 11 15.058 20.219 22.465 1.00 2.00 N
HETATM 217 C7 C34 B 11 14.866 21.668 22.214 1.00 5.22 C
HETATM 218 C5 C34 B 11 12.681 19.859 22.281 1.00 2.00 C
HETATM 219 C2' C34 B 11 10.209 16.243 23.427 1.00 2.00 C
HETATM 220 C3' C34 B 11 8.864 15.659 22.872 1.00 2.00 C
HETATM 221 O3' C34 B 11 8.961 14.311 22.447 1.00 12.92 O
ATOM 222 P DG B 12 7.580 13.425 22.514 1.00 18.33 P
ATOM 223 OP1 DG B 12 6.910 13.505 23.848 1.00 24.36 O
ATOM 224 OP2 DG B 12 8.102 12.071 22.197 1.00 23.13 O
ATOM 225 O5' DG B 12 6.671 14.133 21.431 1.00 9.05 O
ATOM 226 C5' DG B 12 6.715 13.502 20.079 1.00 2.00 C
ATOM 227 C4' DG B 12 5.412 14.117 19.538 1.00 2.00 C
ATOM 228 O4' DG B 12 5.639 15.536 19.663 1.00 3.63 O
ATOM 229 C3' DG B 12 5.268 13.887 18.016 1.00 13.33 C
ATOM 230 O3' DG B 12 3.986 14.336 17.573 1.00 33.73 O
ATOM 231 C2' DG B 12 6.430 14.828 17.577 1.00 2.77 C
ATOM 232 C1' DG B 12 6.056 16.025 18.387 1.00 11.68 C
ATOM 233 N9 DG B 12 7.037 17.087 18.387 1.00 2.00 N
ATOM 234 C8 DG B 12 6.689 18.434 18.414 1.00 9.32 C
ATOM 235 N7 DG B 12 7.726 19.240 18.414 1.00 4.36 N
ATOM 236 C5 DG B 12 8.805 18.397 18.383 1.00 3.20 C
ATOM 237 C6 DG B 12 10.198 18.650 18.356 1.00 2.79 C
ATOM 238 O6 DG B 12 10.727 19.779 18.369 1.00 7.30 O
ATOM 239 N1 DG B 12 11.016 17.542 18.334 1.00 4.35 N
ATOM 240 C2 DG B 12 10.450 16.277 18.334 1.00 5.72 C
ATOM 241 N2 DG B 12 11.308 15.247 18.289 1.00 4.13 N
ATOM 242 N3 DG B 12 9.146 15.960 18.356 1.00 5.79 N
ATOM 243 C4 DG B 12 8.384 17.062 18.378 1.00 2.74 C
TER 244 DG B 12
HETATM 245 O HOH A 14 15.332 11.782 19.309 1.00 12.21 O
HETATM 246 O HOH A 15 13.561 11.283 22.496 1.00 7.62 O
HETATM 247 O HOH A 16 16.168 11.462 21.941 1.00 12.55 O
HETATM 248 O HOH A 19 12.926 5.443 28.906 1.00 43.15 O
HETATM 249 O HOH A 20 13.278 26.551 14.766 1.00 17.71 O
HETATM 250 O HOH A 24 14.445 22.718 18.934 1.00 11.16 O
HETATM 251 O HOH A 26 16.036 5.791 23.490 1.00 45.73 O
HETATM 252 O HOH A 27 21.107 14.422 31.556 1.00 54.36 O
HETATM 253 O HOH A 28 17.541 10.674 15.205 1.00 48.64 O
HETATM 254 O HOH A 29 21.544 19.964 21.700 1.00 34.59 O
HETATM 255 O HOH A 33 12.000 15.813 33.091 1.00 13.22 O
HETATM 256 O HOH A 34 12.011 11.696 29.595 1.00 23.86 O
HETATM 257 O HOH A 35 10.285 11.268 26.364 1.00 29.66 O
HETATM 258 O HOH A 38 9.141 15.133 37.057 1.00 10.91 O
HETATM 259 O HOH A 41 6.320 14.354 38.194 1.00 44.70 O
HETATM 260 O HOH A 42 13.528 25.622 17.685 1.00 50.23 O
HETATM 261 O HOH A 43 18.509 6.416 27.138 1.00 25.35 O
HETATM 262 O HOH A 44 16.628 3.883 27.004 1.00 26.25 O
HETATM 263 O HOH A 49 11.264 9.729 22.608 1.00 43.34 O
HETATM 264 O HOH A 50 14.287 8.963 21.991 1.00 30.58 O
HETATM 265 O HOH A 52 9.946 11.976 29.864 1.00 45.02 O
HETATM 266 O HOH A 53 18.036 6.994 24.390 1.00 49.75 O
HETATM 267 O HOH A 56 19.000 8.163 16.816 1.00 59.27 O
HETATM 268 O HOH A 57 18.811 21.127 20.164 1.00 69.97 O
HETATM 269 O HOH A 58 12.097 13.523 25.665 1.00 64.60 O
HETATM 270 O HOH A 59 21.182 19.890 18.468 1.00 49.61 O
HETATM 271 O HOH A 61 9.848 18.167 37.290 1.00 34.83 O
HETATM 272 O HOH B 13 11.757 12.997 22.590 1.00 37.34 O
HETATM 273 O HOH B 17 10.125 16.425 26.440 1.00 17.48 O
HETATM 274 O HOH B 18 18.974 24.271 23.772 1.00 77.17 O
HETATM 275 O HOH B 21 12.768 18.671 34.071 1.00 8.19 O
HETATM 276 O HOH B 22 10.624 22.604 34.000 1.00 33.34 O
HETATM 277 O HOH B 23 15.080 26.511 29.788 1.00 21.98 O
HETATM 278 O HOH B 25 12.870 17.225 37.643 1.00 12.97 O
HETATM 279 O HOH B 30 21.065 15.419 35.732 1.00 55.90 O
HETATM 280 O HOH B 31 12.802 24.167 36.314 1.00 31.54 O
HETATM 281 O HOH B 32 22.621 17.810 36.108 1.00 56.77 O
HETATM 282 O HOH B 36 10.736 12.431 19.336 1.00 16.58 O
HETATM 283 O HOH B 37 11.335 15.225 29.859 1.00 37.55 O
HETATM 284 O HOH B 39 19.611 21.065 29.559 1.00 18.57 O
HETATM 285 O HOH B 40 17.036 21.853 27.720 1.00 33.91 O
HETATM 286 O HOH B 45 12.640 9.905 19.104 1.00 26.39 O
HETATM 287 O HOH B 46 18.336 21.653 25.249 1.00 55.80 O
HETATM 288 O HOH B 47 13.620 28.324 30.517 1.00 52.51 O
HETATM 289 O HOH B 48 17.049 24.616 29.479 1.00 63.38 O
HETATM 290 O HOH B 51 8.312 13.462 26.198 1.00 58.58 O
HETATM 291 O HOH B 54 24.188 14.299 31.278 1.00 57.48 O
HETATM 292 O HOH B 55 22.660 16.333 31.641 1.00 50.21 O
HETATM 293 O HOH B 60 10.784 17.690 33.883 1.00 50.05 O
CONECT 66 80
CONECT 80 66 81 82 83
CONECT 81 80
CONECT 82 80
CONECT 83 80 84
CONECT 84 83 85
CONECT 85 84 86 98
CONECT 86 85 87
CONECT 87 86 88 97
CONECT 88 87 89 90
CONECT 89 88 96
CONECT 90 88 91 92
CONECT 91 90
CONECT 92 90 93
CONECT 93 92 94 96
CONECT 94 93 95
CONECT 95 94
CONECT 96 89 93
CONECT 97 87 98
CONECT 98 85 97 99
CONECT 99 98 100
CONECT 100 99
CONECT 188 202
CONECT 202 188 203 204 205
CONECT 203 202
CONECT 204 202
CONECT 205 202 206
CONECT 206 205 207
CONECT 207 206 208 220
CONECT 208 207 209
CONECT 209 208 210 219
CONECT 210 209 211 212
CONECT 211 210 218
CONECT 212 210 213 214
CONECT 213 212
CONECT 214 212 215
CONECT 215 214 216 218
CONECT 216 215 217
CONECT 217 216
CONECT 218 211 215
CONECT 219 209 220
CONECT 220 207 219 221
CONECT 221 220 222
CONECT 222 221
MASTER 292 0 2 0 0 0 0 6 291 2 44 2
END
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