HEADER DEOXYRIBONUCLEIC ACID 20-APR-98 388D

TITLE CRYSTAL STRUCTURE OF B-DNA WITH INCORPORATED 2'-DEOXY-2'-

TITLE 2 FLUORO-ARABINO-FURANOSYL THYMINES: IMPLICATIONS OF

TITLE 3 CONFORMATIONAL PREORGANIZATION FOR DUPLEX STABILITY

COMPND MOL_ID: 1;

COMPND 2 MOLECULE: DNA (5'-D(*CP*GP*CP*GP*AP*AP*(TAF)P*(TAF)

COMPND 3 P*CP*GP*CP*G)-3');

COMPND 4 CHAIN: A, B;

COMPND 5 ENGINEERED: YES

SOURCE MOL_ID: 1

KEYWDS B-DNA, DOUBLE HELIX, MODIFIED

EXPDTA X-RAY DIFFRACTION

AUTHOR I.BERGER,V.TERESHKO,H.IKEDA,V.E.MARQUEZ,M.EGLI

REVDAT 1 05-MAY-98 388D 0

JRNL AUTH I.BERGER,V.TERESHKO,H.IKEDA,V.E.MARQUEZ,M.EGLI

JRNL TITL CRYSTAL STRUCTURES OF B-DNA WITH INCORPORATED

JRNL TITL 2 2'-DEOXY-2'-FLUORO-ARABINO-FURANOSYL THYMINES:

JRNL TITL 3 IMPLICATIONS OF CONFORMATIONAL PREORGANIZATION FOR

JRNL TITL 4 DUPLEX STABILITY.

JRNL REF NUCLEIC ACIDS RES. V. 26 2473 1998

JRNL REFN ASTM NARHAD UK ISSN 0305-1048

REMARK 1

REMARK 2

REMARK 2 RESOLUTION. 1.55 ANGSTROMS.

REMARK 3

REMARK 3 REFINEMENT.

REMARK 3 PROGRAM : X-PLOR 3.851

REMARK 3 AUTHORS : BRUNGER

REMARK 3

REMARK 3 DATA USED IN REFINEMENT.

REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.55

REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 8.00

REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.000

REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL

REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL

REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 79.7

REMARK 3 NUMBER OF REFLECTIONS : 7894

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 SET) : 0.208

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 ESTIMATED ERROR OF FREE R VALUE : NULL

REMARK 3

REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN.

REMARK 3 TOTAL NUMBER OF BINS USED : NULL

REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL

REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL

REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL

REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL

REMARK 3 BIN R VALUE (WORKING SET) : NULL

REMARK 3 BIN FREE R VALUE : NULL

REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL

REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL

REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL

REMARK 3

REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.

REMARK 3 PROTEIN ATOMS : 0

REMARK 3 NUCLEIC ACID ATOMS : 486

REMARK 3 HETEROGEN ATOMS : 11

REMARK 3 SOLVENT ATOMS : 171

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 CROSS-VALIDATED ESTIMATED COORDINATE ERROR.

REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL

REMARK 3 ESD FROM C-V SIGMAA (A) : NULL

REMARK 3

REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES.

REMARK 3 BOND LENGTHS (A) : 0.011

REMARK 3 BOND ANGLES (DEGREES) : 1.88

REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL

REMARK 3 IMPROPER ANGLES (DEGREES) : NULL

REMARK 3

REMARK 3 ISOTROPIC THERMAL MODEL : NULL

REMARK 3

REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA

REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL

REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL

REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL

REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL

REMARK 3

REMARK 3 NCS MODEL : NULL

REMARK 3

REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT

REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL

REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL

REMARK 3

REMARK 3 PARAMETER FILE 1 : NULL

REMARK 3 TOPOLOGY FILE 1 : NULL

REMARK 3

REMARK 3 OTHER REFINEMENT REMARKS: NULL

REMARK 4

REMARK 4 388D COMPLIES WITH FORMAT V. 3.0, 1-DEC-2006

REMARK 4

REMARK 4 THIS FILE IS A TEST VERSION.

REMARK 4

REMARK 4 THIS IS THE REMEDIATED VERSION OF THIS PDB ENTRY.

REMARK 4 REMEDIATED DATA FILE REVISION 3.100 (2007-03-18)

REMARK 100

REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY THE NUCLEIC ACID DATABASE

REMARK 100 ON 21-APR-1998.

REMARK 100 THE NDB ID CODE IS BDLB84.

REMARK 105

REMARK 105 THE PROTEIN DATA BANK HAS ADOPTED THE SACCHARIDE CHEMISTS

REMARK 105 NOMENCLATURE FOR ATOMS OF THE DEOXYRIBOSE/RIBOSE MOIETY

REMARK 105 RATHER THAN THAT OF THE NUCLEOSIDE CHEMISTS. THE RING

REMARK 105 OXYGEN ATOM IS LABELLED O4' INSTEAD OF O1'.

REMARK 200

REMARK 200 EXPERIMENTAL DETAILS

REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION

REMARK 200 DATE OF DATA COLLECTION : 24-FEB-1997

REMARK 200 TEMPERATURE (KELVIN) : 100.0

REMARK 200 PH : 7.00

REMARK 200 NUMBER OF CRYSTALS USED : 1

REMARK 200

REMARK 200 SYNCHROTRON (Y/N) : N

REMARK 200 RADIATION SOURCE : NULL

REMARK 200 BEAMLINE : NULL

REMARK 200 X-RAY GENERATOR MODEL : NULL

REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M

REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418

REMARK 200 MONOCHROMATOR : NULL

REMARK 200 OPTICS : NULL

REMARK 200

REMARK 200 DETECTOR TYPE : IMAGE PLATE

REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS II

REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO

REMARK 200 DATA SCALING SOFTWARE : SCALEPACK

REMARK 200

REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 8010

REMARK 200 RESOLUTION RANGE HIGH (A) : 1.500

REMARK 200 RESOLUTION RANGE LOW (A) : 34.000

REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 1.000

REMARK 200

REMARK 200 OVERALL.

REMARK 200 COMPLETENESS FOR RANGE (%) : NULL

REMARK 200 DATA REDUNDANCY : 7.500

REMARK 200 R MERGE (I) : 0.05800

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 7.00, VAPOR DIFFUSION, SITTING

REMARK 280 DROP

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 1/2-X,-Y,1/2+Z

REMARK 290 3555 -X,1/2+Y,1/2-Z

REMARK 290 4555 1/2+X,1/2-Y,-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 12.46500

REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000

REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 32.81000

REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000

REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 19.91000

REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 32.81000

REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 12.46500

REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 19.91000

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 THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT

REMARK 300 WHICH CONSISTS OF 2 CHAIN(S). SEE REMARK 350 FOR

REMARK 300 INFORMATION ON GENERATING THE BIOLOGICAL MOLECULE(S).

REMARK 350

REMARK 350 GENERATING THE BIOMOLECULE

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 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: 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: ENGH AND HUBER, 1991

REMARK 500

REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3

REMARK 500 DC B 13 C4' - C3' - O3' ANGL. DEV. = -8.6 DEGREES

REMARK 525

REMARK 525 SOLVENT

REMARK 525 THE FOLLOWING SOLVENT MOLECULES LIE FARTHER THAN EXPECTED

REMARK 525 FROM THE PROTEIN OR NUCLEIC ACID MOLECULE AND MAY BE

REMARK 525 ASSOCIATED WITH A SYMMETRY RELATED MOLECULE (M=MODEL

REMARK 525 NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE

REMARK 525 NUMBER; I=INSERTION CODE):

REMARK 525

REMARK 525 M RES CSSEQI

REMARK 525 HOH 222 DISTANCE = 6.15 ANGSTROMS

REMARK 525 HOH 223 DISTANCE = 6.64 ANGSTROMS

SEQRES 1 A 12 DC DG DC DG DA DA TAF TAF DC DG DC DG

SEQRES 1 B 12 DC DG DC DG DA DA TAF TAF DC DG DC DG

MODRES 388D TAF A 7 T THYMINE MODIFIED WITH FLO

MODRES 388D TAF A 8 T THYMINE MODIFIED WITH FLO

MODRES 388D TAF B 19 T THYMINE MODIFIED WITH FLO

MODRES 388D TAF B 20 T THYMINE MODIFIED WITH FLO

HET TAF A 7 21

HET TAF A 8 21

HET TAF B 19 21

HET TAF B 20 21

HET MG 25 1

HETNAM TAF 2'-DEOXY-2'-FLUORO-ARABINO-FURANOSYL THYMINE-5'-

HETNAM 2 TAF PHOSPHATE

HETNAM MG MAGNESIUM ION

FORMUL 1 TAF 4(C10 H14 F N2 O8 P)

FORMUL 3 MG MG 2+

FORMUL 4 HOH *177(H2 O)

LINK MG MG 25 O HOH 277

LINK MG MG 25 O HOH 275

LINK MG MG 25 O HOH 273

LINK MG MG 25 O HOH 274

LINK MG MG 25 O HOH 276

LINK MG MG 25 O HOH 272

CRYST1 24.930 39.820 65.620 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 0.040112 0.000000 0.000000 0.00000

SCALE2 0.000000 0.025113 0.000000 0.00000

SCALE3 0.000000 0.000000 0.015239 0.00000

ATOM 1 O5' DC A 1 7.585 -14.212 -23.757 1.00 20.64 O

ATOM 2 C5' DC A 1 6.795 -13.095 -24.090 1.00 19.75 C

ATOM 3 C4' DC A 1 7.714 -11.899 -24.037 1.00 20.51 C

ATOM 4 O4' DC A 1 7.063 -10.749 -24.607 1.00 20.70 O

ATOM 5 C3' DC A 1 8.156 -11.479 -22.639 1.00 19.76 C

ATOM 6 O3' DC A 1 9.506 -10.998 -22.786 1.00 21.52 O

ATOM 7 C2' DC A 1 7.188 -10.353 -22.299 1.00 18.46 C

ATOM 8 C1' DC A 1 6.965 -9.704 -23.660 1.00 17.39 C

ATOM 9 N1 DC A 1 5.716 -9.003 -23.959 1.00 14.60 N

ATOM 10 C2 DC A 1 5.784 -7.750 -24.624 1.00 13.04 C

ATOM 11 O2 DC A 1 6.905 -7.247 -24.861 1.00 17.30 O

ATOM 12 N3 DC A 1 4.642 -7.138 -24.986 1.00 13.18 N

ATOM 13 C4 DC A 1 3.464 -7.705 -24.696 1.00 13.41 C

ATOM 14 N4 DC A 1 2.359 -7.066 -25.068 1.00 11.25 N

ATOM 15 C5 DC A 1 3.370 -8.957 -24.005 1.00 14.85 C

ATOM 16 C6 DC A 1 4.506 -9.558 -23.651 1.00 10.65 C

ATOM 17 P DG A 2 10.367 -10.552 -21.503 1.00 25.87 P

ATOM 18 OP1 DG A 2 11.789 -10.926 -21.703 1.00 26.44 O

ATOM 19 OP2 DG A 2 9.673 -10.954 -20.267 1.00 23.73 O

ATOM 20 O5' DG A 2 10.274 -8.968 -21.573 1.00 27.97 O

ATOM 21 C5' DG A 2 11.106 -8.193 -22.444 1.00 21.11 C

ATOM 22 C4' DG A 2 11.022 -6.745 -22.032 1.00 18.04 C

ATOM 23 O4' DG A 2 9.716 -6.217 -22.355 1.00 20.04 O

ATOM 24 C3' DG A 2 11.216 -6.510 -20.534 1.00 19.03 C

ATOM 25 O3' DG A 2 12.056 -5.363 -20.415 1.00 22.72 O

ATOM 26 C2' DG A 2 9.800 -6.277 -20.014 1.00 16.26 C

ATOM 27 C1' DG A 2 9.106 -5.645 -21.212 1.00 14.78 C

ATOM 28 N9 DG A 2 7.665 -5.823 -21.340 1.00 13.99 N

ATOM 29 C8 DG A 2 6.902 -6.876 -20.889 1.00 10.45 C

ATOM 30 N7 DG A 2 5.631 -6.747 -21.162 1.00 13.98 N

ATOM 31 C5 DG A 2 5.537 -5.533 -21.834 1.00 14.11 C

ATOM 32 C6 DG A 2 4.396 -4.859 -22.365 1.00 12.08 C

ATOM 33 O6 DG A 2 3.221 -5.213 -22.352 1.00 14.72 O

ATOM 34 N1 DG A 2 4.744 -3.646 -22.955 1.00 10.79 N

ATOM 35 C2 DG A 2 6.017 -3.141 -23.020 1.00 10.53 C

ATOM 36 N2 DG A 2 6.140 -1.937 -23.605 1.00 15.05 N

ATOM 37 N3 DG A 2 7.094 -3.764 -22.538 1.00 15.34 N

ATOM 38 C4 DG A 2 6.776 -4.949 -21.957 1.00 15.51 C

ATOM 39 P DC A 3 12.533 -4.838 -18.975 1.00 19.45 P

ATOM 40 OP1 DC A 3 13.988 -4.794 -19.037 1.00 17.57 O

ATOM 41 OP2 DC A 3 11.837 -5.490 -17.834 1.00 24.30 O

ATOM 42 O5' DC A 3 11.981 -3.344 -18.943 1.00 21.43 O

ATOM 43 C5' DC A 3 12.330 -2.392 -19.948 1.00 18.13 C

ATOM 44 C4' DC A 3 11.207 -1.396 -20.103 1.00 18.09 C

ATOM 45 O4' DC A 3 9.996 -2.106 -20.402 1.00 17.97 O

ATOM 46 C3' DC A 3 10.840 -0.587 -18.868 1.00 19.08 C

ATOM 47 O3' DC A 3 11.654 0.569 -18.771 1.00 28.16 O

ATOM 48 C2' DC A 3 9.405 -0.179 -19.139 1.00 17.32 C

ATOM 49 C1' DC A 3 8.884 -1.311 -20.009 1.00 17.57 C

ATOM 50 N1 DC A 3 7.859 -2.209 -19.483 1.00 14.90 N

ATOM 51 C2 DC A 3 6.518 -1.917 -19.742 1.00 14.11 C

ATOM 52 O2 DC A 3 6.243 -0.883 -20.364 1.00 16.81 O

ATOM 53 N3 DC A 3 5.558 -2.770 -19.311 1.00 18.40 N

ATOM 54 C4 DC A 3 5.900 -3.886 -18.649 1.00 14.85 C

ATOM 55 N4 DC A 3 4.917 -4.720 -18.289 1.00 13.69 N

ATOM 56 C5 DC A 3 7.266 -4.195 -18.346 1.00 14.67 C

ATOM 57 C6 DC A 3 8.202 -3.336 -18.778 1.00 18.20 C

ATOM 58 P DG A 4 11.794 1.317 -17.356 1.00 28.50 P

ATOM 59 OP1 DG A 4 13.085 2.006 -17.299 1.00 36.76 O

ATOM 60 OP2 DG A 4 11.374 0.430 -16.249 1.00 28.35 O

ATOM 61 O5' DG A 4 10.660 2.423 -17.408 1.00 26.56 O

ATOM 62 C5' DG A 4 10.388 3.181 -18.578 1.00 20.58 C

ATOM 63 C4' DG A 4 9.086 3.908 -18.368 1.00 19.93 C

ATOM 64 O4' DG A 4 7.997 2.961 -18.440 1.00 21.47 O

ATOM 65 C3' DG A 4 8.982 4.566 -16.988 1.00 23.88 C

ATOM 66 O3' DG A 4 8.229 5.764 -17.169 1.00 27.31 O

ATOM 67 C2' DG A 4 8.187 3.561 -16.173 1.00 18.95 C

ATOM 68 C1' DG A 4 7.267 2.961 -17.221 1.00 20.23 C

ATOM 69 N9 DG A 4 6.898 1.584 -16.909 1.00 17.35 N

ATOM 70 C8 DG A 4 7.691 0.622 -16.334 1.00 18.08 C

ATOM 71 N7 DG A 4 7.068 -0.507 -16.153 1.00 16.36 N

ATOM 72 C5 DG A 4 5.794 -0.277 -16.635 1.00 15.32 C

ATOM 73 C6 DG A 4 4.655 -1.131 -16.679 1.00 16.65 C

ATOM 74 O6 DG A 4 4.547 -2.297 -16.291 1.00 19.57 O

ATOM 75 N1 DG A 4 3.562 -0.489 -17.236 1.00 17.53 N

ATOM 76 C2 DG A 4 3.553 0.805 -17.681 1.00 14.29 C

ATOM 77 N2 DG A 4 2.390 1.226 -18.150 1.00 16.39 N

ATOM 78 N3 DG A 4 4.602 1.609 -17.650 1.00 14.76 N

ATOM 79 C4 DG A 4 5.675 1.011 -17.116 1.00 15.97 C

ATOM 80 P DA A 5 7.896 6.735 -15.934 1.00 27.52 P

ATOM 81 OP1 DA A 5 8.251 8.108 -16.379 1.00 32.71 O

ATOM 82 OP2 DA A 5 8.419 6.216 -14.633 1.00 31.31 O

ATOM 83 O5' DA A 5 6.312 6.679 -15.888 1.00 23.49 O

ATOM 84 C5' DA A 5 5.556 6.750 -17.094 1.00 18.96 C

ATOM 85 C4' DA A 5 4.094 6.585 -16.783 1.00 19.03 C

ATOM 86 O4' DA A 5 3.824 5.195 -16.541 1.00 19.70 O

ATOM 87 C3' DA A 5 3.564 7.352 -15.574 1.00 16.14 C

ATOM 88 O3' DA A 5 2.311 7.858 -16.014 1.00 17.26 O

ATOM 89 C2' DA A 5 3.435 6.277 -14.502 1.00 18.46 C

ATOM 90 C1' DA A 5 3.164 5.006 -15.313 1.00 16.78 C

ATOM 91 N9 DA A 5 3.724 3.787 -14.748 1.00 14.53 N

ATOM 92 C8 DA A 5 5.008 3.653 -14.302 1.00 12.68 C

ATOM 93 N7 DA A 5 5.296 2.453 -13.869 1.00 16.29 N

ATOM 94 C5 DA A 5 4.114 1.741 -14.028 1.00 16.98 C

ATOM 95 C6 DA A 5 3.757 0.391 -13.744 1.00 12.99 C

ATOM 96 N6 DA A 5 4.587 -0.510 -13.212 1.00 13.71 N

ATOM 97 N1 DA A 5 2.497 0.003 -14.034 1.00 13.95 N

ATOM 98 C2 DA A 5 1.653 0.902 -14.573 1.00 14.23 C

ATOM 99 N3 DA A 5 1.869 2.194 -14.880 1.00 14.61 N

ATOM 100 C4 DA A 5 3.130 2.553 -14.577 1.00 14.41 C

ATOM 101 P DA A 6 1.331 8.608 -15.005 1.00 17.34 P

ATOM 102 OP1 DA A 6 0.376 9.372 -15.805 1.00 16.45 O

ATOM 103 OP2 DA A 6 2.175 9.275 -14.001 1.00 17.80 O

ATOM 104 O5' DA A 6 0.487 7.418 -14.373 1.00 16.38 O

ATOM 105 C5' DA A 6 -0.491 6.734 -15.163 1.00 13.42 C

ATOM 106 C4' DA A 6 -1.251 5.760 -14.305 1.00 16.34 C

ATOM 107 O4' DA A 6 -0.439 4.637 -13.892 1.00 17.27 O

ATOM 108 C3' DA A 6 -1.859 6.364 -13.044 1.00 12.54 C

ATOM 109 O3' DA A 6 -3.248 6.104 -13.169 1.00 13.79 O

ATOM 110 C2' DA A 6 -1.117 5.672 -11.899 1.00 15.05 C

ATOM 111 C1' DA A 6 -0.639 4.365 -12.518 1.00 14.24 C

ATOM 112 N9 DA A 6 0.613 3.812 -12.004 1.00 15.07 N

ATOM 113 C8 DA A 6 1.848 4.408 -11.842 1.00 13.84 C

ATOM 114 N7 DA A 6 2.768 3.594 -11.386 1.00 14.31 N

ATOM 115 C5 DA A 6 2.094 2.381 -11.219 1.00 13.07 C

ATOM 116 C6 DA A 6 2.512 1.104 -10.753 1.00 10.72 C

ATOM 117 N6 DA A 6 3.742 0.833 -10.368 1.00 9.86 N

ATOM 118 N1 DA A 6 1.590 0.108 -10.707 1.00 12.26 N

ATOM 119 C2 DA A 6 0.343 0.377 -11.106 1.00 12.78 C

ATOM 120 N3 DA A 6 -0.168 1.534 -11.566 1.00 15.70 N

ATOM 121 C4 DA A 6 0.775 2.505 -11.594 1.00 14.24 C

HETATM 122 P TAF A 7 -4.289 6.609 -12.042 1.00 15.79 P

HETATM 123 OP1 TAF A 7 -5.590 6.837 -12.683 1.00 13.32 O

HETATM 124 OP2 TAF A 7 -3.710 7.604 -11.115 1.00 17.63 O

HETATM 125 O5' TAF A 7 -4.483 5.342 -11.122 1.00 17.23 O

HETATM 126 N1 TAF A 7 -1.581 2.480 -8.787 1.00 16.68 N

HETATM 127 C6 TAF A 7 -0.960 3.729 -8.848 1.00 14.21 C

HETATM 128 C2 TAF A 7 -0.923 1.356 -8.284 1.00 15.18 C

HETATM 129 O2 TAF A 7 -1.437 0.257 -8.160 1.00 16.94 O

HETATM 130 N3 TAF A 7 0.354 1.569 -7.924 1.00 14.00 N

HETATM 131 C4 TAF A 7 1.067 2.725 -7.975 1.00 10.17 C

HETATM 132 O4 TAF A 7 2.211 2.688 -7.640 1.00 12.24 O

HETATM 133 C5 TAF A 7 0.316 3.929 -8.465 1.00 12.82 C

HETATM 134 C5M TAF A 7 0.984 5.264 -8.526 1.00 12.69 C

HETATM 135 F2' TAF A 7 -3.627 3.823 -7.592 1.00 18.00 F

HETATM 136 C2' TAF A 7 -4.081 2.821 -8.402 1.00 18.29 C

HETATM 137 C5' TAF A 7 -4.845 4.080 -11.699 1.00 15.60 C

HETATM 138 C4' TAF A 7 -4.500 2.952 -10.761 1.00 15.40 C

HETATM 139 O4' TAF A 7 -3.084 2.888 -10.521 1.00 15.66 O

HETATM 140 C1' TAF A 7 -2.958 2.261 -9.271 1.00 18.05 C

HETATM 141 C3' TAF A 7 -5.176 3.143 -9.408 1.00 17.47 C

HETATM 142 O3' TAF A 7 -6.357 2.304 -9.379 1.00 17.24 O

HETATM 143 P TAF A 8 -7.355 2.283 -8.102 1.00 19.28 P

HETATM 144 OP1 TAF A 8 -8.607 1.702 -8.634 1.00 18.63 O

HETATM 145 OP2 TAF A 8 -7.414 3.658 -7.518 1.00 21.93 O

HETATM 146 O5' TAF A 8 -6.690 1.263 -7.074 1.00 17.83 O

HETATM 147 N1 TAF A 8 -2.657 0.466 -4.971 1.00 14.68 N

HETATM 148 C6 TAF A 8 -2.854 1.835 -5.037 1.00 16.90 C

HETATM 149 C2 TAF A 8 -1.446 -0.078 -4.679 1.00 13.31 C

HETATM 150 O2 TAF A 8 -1.274 -1.266 -4.485 1.00 16.97 O

HETATM 151 N3 TAF A 8 -0.444 0.834 -4.543 1.00 13.92 N

HETATM 152 C4 TAF A 8 -0.513 2.217 -4.689 1.00 10.61 C

HETATM 153 O4 TAF A 8 0.529 2.887 -4.632 1.00 10.52 O

HETATM 154 C5 TAF A 8 -1.884 2.747 -4.893 1.00 12.02 C

HETATM 155 C5M TAF A 8 -2.130 4.215 -5.012 1.00 13.82 C

HETATM 156 F2' TAF A 8 -5.110 0.630 -3.666 1.00 22.61 F

HETATM 157 C2' TAF A 8 -4.767 -0.529 -4.308 1.00 17.61 C

HETATM 158 C5' TAF A 8 -6.479 -0.111 -7.479 1.00 16.57 C

HETATM 159 C4' TAF A 8 -5.496 -0.807 -6.571 1.00 17.90 C

HETATM 160 O4' TAF A 8 -4.246 -0.095 -6.524 1.00 17.12 O

HETATM 161 C1' TAF A 8 -3.673 -0.494 -5.308 1.00 18.58 C

HETATM 162 C3' TAF A 8 -5.992 -0.840 -5.129 1.00 20.83 C

HETATM 163 O3' TAF A 8 -6.447 -2.192 -4.903 1.00 25.78 O

ATOM 164 P DC A 9 -7.010 -2.681 -3.455 1.00 26.14 P

ATOM 165 OP1 DC A 9 -7.985 -3.779 -3.759 1.00 29.66 O

ATOM 166 OP2 DC A 9 -7.463 -1.552 -2.637 1.00 31.51 O

ATOM 167 O5' DC A 9 -5.728 -3.309 -2.729 1.00 23.17 O

ATOM 168 C5' DC A 9 -4.877 -4.228 -3.426 1.00 22.56 C

ATOM 169 C4' DC A 9 -3.666 -4.564 -2.595 1.00 20.68 C

ATOM 170 O4' DC A 9 -2.722 -3.480 -2.514 1.00 20.03 O

ATOM 171 C3' DC A 9 -3.955 -4.973 -1.159 1.00 23.27 C

ATOM 172 O3' DC A 9 -3.191 -6.156 -0.949 1.00 25.84 O

ATOM 173 C2' DC A 9 -3.465 -3.782 -0.333 1.00 17.07 C

ATOM 174 C1' DC A 9 -2.315 -3.255 -1.169 1.00 18.91 C

ATOM 175 N1 DC A 9 -1.966 -1.831 -1.100 1.00 17.50 N

ATOM 176 C2 DC A 9 -0.622 -1.434 -0.823 1.00 16.31 C

ATOM 177 O2 DC A 9 0.238 -2.288 -0.509 1.00 16.84 O

ATOM 178 N3 DC A 9 -0.308 -0.122 -0.914 1.00 16.71 N

ATOM 179 C4 DC A 9 -1.257 0.780 -1.203 1.00 16.80 C

ATOM 180 N4 DC A 9 -0.883 2.058 -1.289 1.00 14.20 N

ATOM 181 C5 DC A 9 -2.621 0.409 -1.427 1.00 15.35 C

ATOM 182 C6 DC A 9 -2.926 -0.890 -1.359 1.00 16.05 C

ATOM 183 P DG A 10 -3.546 -7.151 0.250 1.00 28.17 P

ATOM 184 OP1 DG A 10 -3.116 -8.506 -0.156 1.00 27.75 O

ATOM 185 OP2 DG A 10 -4.938 -6.935 0.756 1.00 27.60 O

ATOM 186 O5' DG A 10 -2.609 -6.596 1.410 1.00 26.11 O

ATOM 187 C5' DG A 10 -1.183 -6.634 1.287 1.00 22.29 C

ATOM 188 C4' DG A 10 -0.570 -5.898 2.450 1.00 23.90 C

ATOM 189 O4' DG A 10 -0.689 -4.493 2.172 1.00 20.82 O

ATOM 190 C3' DG A 10 -1.298 -6.128 3.784 1.00 21.52 C

ATOM 191 O3' DG A 10 -0.347 -6.065 4.859 1.00 29.01 O

ATOM 192 C2' DG A 10 -2.174 -4.896 3.914 1.00 22.86 C

ATOM 193 C1' DG A 10 -1.211 -3.891 3.326 1.00 20.61 C

ATOM 194 N9 DG A 10 -1.653 -2.548 2.978 1.00 18.39 N

ATOM 195 C8 DG A 10 -2.920 -2.111 2.715 1.00 18.12 C

ATOM 196 N7 DG A 10 -2.964 -0.837 2.427 1.00 17.03 N

ATOM 197 C5 DG A 10 -1.642 -0.417 2.506 1.00 16.35 C

ATOM 198 C6 DG A 10 -1.056 0.873 2.298 1.00 12.44 C

ATOM 199 O6 DG A 10 -1.608 1.923 1.965 1.00 16.55 O

ATOM 200 N1 DG A 10 0.314 0.850 2.510 1.00 12.70 N

ATOM 201 C2 DG A 10 1.031 -0.262 2.860 1.00 12.90 C

ATOM 202 N2 DG A 10 2.327 -0.088 3.018 1.00 12.96 N

ATOM 203 N3 DG A 10 0.505 -1.459 3.042 1.00 13.63 N

ATOM 204 C4 DG A 10 -0.822 -1.462 2.853 1.00 13.13 C

ATOM 205 P DC A 11 0.212 -7.418 5.532 1.00 32.12 P

ATOM 206 OP1 DC A 11 0.371 -8.463 4.488 1.00 34.16 O

ATOM 207 OP2 DC A 11 -0.675 -7.651 6.693 1.00 35.80 O

ATOM 208 O5' DC A 11 1.692 -7.041 5.952 1.00 22.62 O

ATOM 209 C5' DC A 11 2.688 -6.958 4.932 1.00 23.22 C

ATOM 210 C4' DC A 11 3.667 -5.850 5.232 1.00 23.10 C

ATOM 211 O4' DC A 11 3.108 -4.530 5.070 1.00 23.58 O

ATOM 212 C3' DC A 11 4.266 -5.877 6.629 1.00 19.01 C

ATOM 213 O3' DC A 11 5.636 -5.562 6.441 1.00 20.90 O

ATOM 214 C2' DC A 11 3.532 -4.753 7.358 1.00 22.11 C

ATOM 215 C1' DC A 11 3.283 -3.745 6.243 1.00 18.74 C

ATOM 216 N1 DC A 11 2.092 -2.904 6.333 1.00 18.89 N

ATOM 217 C2 DC A 11 2.200 -1.505 6.107 1.00 15.13 C

ATOM 218 O2 DC A 11 3.325 -1.001 5.929 1.00 15.46 O

ATOM 219 N3 DC A 11 1.071 -0.761 6.087 1.00 15.00 N

ATOM 220 C4 DC A 11 -0.118 -1.349 6.282 1.00 12.80 C

ATOM 221 N4 DC A 11 -1.212 -0.595 6.211 1.00 16.97 N

ATOM 222 C5 DC A 11 -0.240 -2.746 6.550 1.00 16.84 C

ATOM 223 C6 DC A 11 0.876 -3.474 6.571 1.00 13.12 C

ATOM 224 P DG A 12 6.710 -5.951 7.561 1.00 23.65 P

ATOM 225 OP1 DG A 12 7.999 -6.033 6.842 1.00 22.01 O

ATOM 226 OP2 DG A 12 6.197 -7.071 8.376 1.00 23.00 O

ATOM 227 O5' DG A 12 6.750 -4.701 8.536 1.00 26.22 O

ATOM 228 C5' DG A 12 7.535 -3.527 8.257 1.00 23.21 C

ATOM 229 C4' DG A 12 7.080 -2.414 9.169 1.00 18.75 C

ATOM 230 O4' DG A 12 5.743 -1.993 8.837 1.00 19.17 O

ATOM 231 C3' DG A 12 6.989 -2.885 10.615 1.00 18.47 C

ATOM 232 O3' DG A 12 8.224 -2.490 11.160 1.00 20.89 O

ATOM 233 C2' DG A 12 5.846 -2.084 11.214 1.00 19.15 C

ATOM 234 C1' DG A 12 5.204 -1.402 10.019 1.00 18.93 C

ATOM 235 N9 DG A 12 3.750 -1.445 9.948 1.00 18.50 N

ATOM 236 C8 DG A 12 2.904 -2.526 10.088 1.00 16.72 C

ATOM 237 N7 DG A 12 1.645 -2.206 9.946 1.00 16.38 N

ATOM 238 C5 DG A 12 1.662 -0.836 9.707 1.00 18.51 C

ATOM 239 C6 DG A 12 0.592 0.089 9.476 1.00 17.06 C

ATOM 240 O6 DG A 12 -0.626 -0.127 9.434 1.00 19.33 O

ATOM 241 N1 DG A 12 1.071 1.389 9.288 1.00 18.79 N

ATOM 242 C2 DG A 12 2.394 1.760 9.324 1.00 14.83 C

ATOM 243 N2 DG A 12 2.660 3.070 9.145 1.00 15.78 N

ATOM 244 N3 DG A 12 3.389 0.911 9.528 1.00 15.47 N

ATOM 245 C4 DG A 12 2.952 -0.357 9.711 1.00 17.24 C

TER 246 DG A 12

ATOM 247 O5' DC B 13 -4.365 8.338 9.917 1.00 31.34 O

ATOM 248 C5' DC B 13 -3.253 9.208 9.871 1.00 31.61 C

ATOM 249 C4' DC B 13 -2.125 8.694 9.010 1.00 30.59 C

ATOM 250 O4' DC B 13 -1.644 7.394 9.400 1.00 31.95 O

ATOM 251 C3' DC B 13 -2.438 8.563 7.537 1.00 31.26 C

ATOM 252 O3' DC B 13 -1.183 8.840 6.967 1.00 33.23 O

ATOM 253 C2' DC B 13 -2.698 7.074 7.352 1.00 31.06 C

ATOM 254 C1' DC B 13 -1.681 6.491 8.303 1.00 29.56 C

ATOM 255 N1 DC B 13 -1.996 5.184 8.862 1.00 30.65 N

ATOM 256 C2 DC B 13 -0.994 4.198 8.918 1.00 28.88 C

ATOM 257 O2 DC B 13 0.140 4.461 8.475 1.00 23.43 O

ATOM 258 N3 DC B 13 -1.285 3.000 9.486 1.00 36.20 N

ATOM 259 C4 DC B 13 -2.504 2.786 10.018 1.00 38.16 C

ATOM 260 N4 DC B 13 -2.733 1.613 10.630 1.00 39.44 N

ATOM 261 C5 DC B 13 -3.535 3.770 9.959 1.00 36.54 C

ATOM 262 C6 DC B 13 -3.244 4.936 9.365 1.00 35.60 C

ATOM 263 P DG B 14 -0.995 10.119 6.049 1.00 34.44 P

ATOM 264 OP1 DG B 14 -1.304 11.336 6.809 1.00 39.94 O

ATOM 265 OP2 DG B 14 -1.832 9.766 4.872 1.00 33.49 O

ATOM 266 O5' DG B 14 0.567 10.067 5.734 1.00 31.62 O

ATOM 267 C5' DG B 14 1.574 10.099 6.779 1.00 27.15 C

ATOM 268 C4' DG B 14 2.613 9.027 6.518 1.00 24.58 C

ATOM 269 O4' DG B 14 2.065 7.746 6.872 1.00 25.43 O

ATOM 270 C3' DG B 14 3.049 8.891 5.057 1.00 22.71 C

ATOM 271 O3' DG B 14 4.294 9.565 4.879 1.00 18.16 O

ATOM 272 C2' DG B 14 3.337 7.410 4.890 1.00 24.29 C

ATOM 273 C1' DG B 14 2.599 6.742 6.018 1.00 22.97 C

ATOM 274 N9 DG B 14 1.526 5.817 5.699 1.00 18.98 N

ATOM 275 C8 DG B 14 0.217 6.115 5.451 1.00 18.48 C

ATOM 276 N7 DG B 14 -0.527 5.056 5.298 1.00 18.92 N

ATOM 277 C5 DG B 14 0.360 4.000 5.434 1.00 18.50 C

ATOM 278 C6 DG B 14 0.138 2.599 5.383 1.00 15.74 C

ATOM 279 O6 DG B 14 -0.934 1.994 5.218 1.00 15.64 O

ATOM 280 N1 DG B 14 1.325 1.894 5.564 1.00 14.27 N

ATOM 281 C2 DG B 14 2.558 2.467 5.779 1.00 14.35 C

ATOM 282 N2 DG B 14 3.584 1.638 5.948 1.00 14.48 N

ATOM 283 N3 DG B 14 2.768 3.764 5.830 1.00 16.94 N

ATOM 284 C4 DG B 14 1.637 4.462 5.655 1.00 17.11 C

ATOM 285 P DC B 15 4.988 9.620 3.428 1.00 19.07 P

ATOM 286 OP1 DC B 15 6.188 10.456 3.528 1.00 21.21 O

ATOM 287 OP2 DC B 15 3.941 9.930 2.443 1.00 20.53 O

ATOM 288 O5' DC B 15 5.485 8.142 3.110 1.00 20.18 O

ATOM 289 C5' DC B 15 6.644 7.606 3.758 1.00 18.91 C

ATOM 290 C4' DC B 15 6.658 6.108 3.599 1.00 17.52 C

ATOM 291 O4' DC B 15 5.337 5.608 3.872 1.00 18.65 O

ATOM 292 C3' DC B 15 6.956 5.626 2.187 1.00 18.53 C

ATOM 293 O3' DC B 15 8.364 5.497 2.067 1.00 18.62 O

ATOM 294 C2' DC B 15 6.287 4.266 2.147 1.00 20.26 C

ATOM 295 C1' DC B 15 5.127 4.425 3.106 1.00 17.19 C

ATOM 296 N1 DC B 15 3.754 4.442 2.593 1.00 17.88 N

ATOM 297 C2 DC B 15 3.067 3.226 2.520 1.00 14.66 C

ATOM 298 O2 DC B 15 3.673 2.191 2.804 1.00 16.59 O

ATOM 299 N3 DC B 15 1.774 3.211 2.144 1.00 13.35 N

ATOM 300 C4 DC B 15 1.166 4.352 1.822 1.00 17.51 C

ATOM 301 N4 DC B 15 -0.113 4.290 1.485 1.00 18.37 N

ATOM 302 C5 DC B 15 1.852 5.607 1.844 1.00 17.11 C

ATOM 303 C6 DC B 15 3.136 5.605 2.228 1.00 17.83 C

ATOM 304 P DG B 16 9.036 5.279 0.631 1.00 22.37 P

ATOM 305 OP1 DG B 16 10.426 5.771 0.732 1.00 24.65 O

ATOM 306 OP2 DG B 16 8.121 5.840 -0.400 1.00 23.75 O

ATOM 307 O5' DG B 16 9.069 3.693 0.430 1.00 24.39 O

ATOM 308 C5' DG B 16 9.665 2.801 1.405 1.00 22.94 C

ATOM 309 C4' DG B 16 9.376 1.365 1.030 1.00 19.08 C

ATOM 310 O4' DG B 16 7.942 1.166 1.011 1.00 18.49 O

ATOM 311 C3' DG B 16 9.872 0.973 -0.364 1.00 21.44 C

ATOM 312 O3' DG B 16 10.317 -0.395 -0.238 1.00 25.60 O

ATOM 313 C2' DG B 16 8.649 1.179 -1.239 1.00 16.39 C

ATOM 314 C1' DG B 16 7.508 0.837 -0.305 1.00 16.04 C

ATOM 315 N9 DG B 16 6.273 1.557 -0.575 1.00 12.54 N

ATOM 316 C8 DG B 16 6.138 2.856 -1.006 1.00 13.21 C

ATOM 317 N7 DG B 16 4.895 3.217 -1.174 1.00 14.55 N

ATOM 318 C5 DG B 16 4.158 2.088 -0.834 1.00 12.75 C

ATOM 319 C6 DG B 16 2.727 1.850 -0.818 1.00 11.28 C

ATOM 320 O6 DG B 16 1.787 2.598 -1.127 1.00 11.80 O

ATOM 321 N1 DG B 16 2.446 0.565 -0.395 1.00 13.93 N

ATOM 322 C2 DG B 16 3.376 -0.377 -0.062 1.00 13.48 C

ATOM 323 N2 DG B 16 2.883 -1.551 0.284 1.00 14.78 N

ATOM 324 N3 DG B 16 4.681 -0.181 -0.075 1.00 11.21 N

ATOM 325 C4 DG B 16 5.001 1.064 -0.463 1.00 12.80 C

ATOM 326 P DA B 17 10.339 -1.404 -1.492 1.00 23.95 P

ATOM 327 OP1 DA B 17 11.478 -2.280 -1.159 1.00 23.70 O

ATOM 328 OP2 DA B 17 10.272 -0.729 -2.804 1.00 28.23 O

ATOM 329 O5' DA B 17 8.969 -2.208 -1.414 1.00 21.88 O

ATOM 330 C5' DA B 17 8.508 -2.820 -0.219 1.00 20.79 C

ATOM 331 C4' DA B 17 7.390 -3.772 -0.564 1.00 18.87 C

ATOM 332 O4' DA B 17 6.187 -3.042 -0.907 1.00 19.51 O

ATOM 333 C3' DA B 17 7.689 -4.664 -1.767 1.00 22.96 C

ATOM 334 O3' DA B 17 7.084 -5.924 -1.470 1.00 27.02 O

ATOM 335 C2' DA B 17 6.977 -3.963 -2.916 1.00 22.39 C

ATOM 336 C1' DA B 17 5.771 -3.305 -2.249 1.00 20.11 C

ATOM 337 N9 DA B 17 5.395 -2.007 -2.833 1.00 15.60 N

ATOM 338 C8 DA B 17 6.278 -1.014 -3.172 1.00 15.06 C

ATOM 339 N7 DA B 17 5.702 0.079 -3.608 1.00 15.45 N

ATOM 340 C5 DA B 17 4.350 -0.213 -3.576 1.00 12.84 C

ATOM 341 C6 DA B 17 3.203 0.546 -3.911 1.00 11.28 C

ATOM 342 N6 DA B 17 3.249 1.814 -4.329 1.00 12.04 N

ATOM 343 N1 DA B 17 1.996 -0.049 -3.780 1.00 14.85 N

ATOM 344 C2 DA B 17 1.952 -1.310 -3.316 1.00 12.77 C

ATOM 345 N3 DA B 17 2.956 -2.114 -2.955 1.00 11.22 N

ATOM 346 C4 DA B 17 4.138 -1.506 -3.111 1.00 11.70 C

ATOM 347 P DA B 18 7.085 -7.115 -2.542 1.00 22.94 P

ATOM 348 OP1 DA B 18 7.029 -8.341 -1.734 1.00 32.15 O

ATOM 349 OP2 DA B 18 8.152 -6.933 -3.530 1.00 22.51 O

ATOM 350 O5' DA B 18 5.668 -6.984 -3.251 1.00 18.87 O

ATOM 351 C5' DA B 18 4.477 -7.093 -2.491 1.00 15.40 C

ATOM 352 C4' DA B 18 3.274 -6.897 -3.378 1.00 20.67 C

ATOM 353 O4' DA B 18 3.127 -5.524 -3.813 1.00 19.88 O

ATOM 354 C3' DA B 18 3.225 -7.755 -4.640 1.00 22.71 C

ATOM 355 O3' DA B 18 1.956 -8.396 -4.640 1.00 26.47 O

ATOM 356 C2' DA B 18 3.397 -6.751 -5.777 1.00 20.18 C

ATOM 357 C1' DA B 18 2.822 -5.471 -5.198 1.00 19.06 C

ATOM 358 N9 DA B 18 3.376 -4.215 -5.715 1.00 16.00 N

ATOM 359 C8 DA B 18 4.696 -3.844 -5.881 1.00 14.19 C

ATOM 360 N7 DA B 18 4.843 -2.620 -6.331 1.00 15.75 N

ATOM 361 C5 DA B 18 3.541 -2.157 -6.480 1.00 14.46 C

ATOM 362 C6 DA B 18 3.018 -0.922 -6.917 1.00 11.68 C

ATOM 363 N6 DA B 18 3.787 0.102 -7.268 1.00 13.93 N

ATOM 364 N1 DA B 18 1.674 -0.781 -6.967 1.00 10.79 N

ATOM 365 C2 DA B 18 0.909 -1.812 -6.578 1.00 17.20 C

ATOM 366 N3 DA B 18 1.284 -3.021 -6.131 1.00 14.77 N

ATOM 367 C4 DA B 18 2.625 -3.129 -6.111 1.00 14.21 C

HETATM 368 P TAF B 19 1.547 -9.402 -5.775 1.00 23.28 P

HETATM 369 OP1 TAF B 19 0.585 -10.333 -5.119 1.00 25.24 O

HETATM 370 OP2 TAF B 19 2.758 -9.932 -6.510 1.00 21.14 O

HETATM 371 O5' TAF B 19 0.787 -8.426 -6.761 1.00 22.07 O

HETATM 372 N1 TAF B 19 1.263 -4.580 -9.246 1.00 13.62 N

HETATM 373 C6 TAF B 19 2.566 -5.115 -9.156 1.00 11.91 C

HETATM 374 C2 TAF B 19 1.036 -3.308 -9.597 1.00 13.69 C

HETATM 375 O2 TAF B 19 -0.090 -2.849 -9.715 1.00 15.89 O

HETATM 376 N3 TAF B 19 2.154 -2.560 -9.815 1.00 12.33 N

HETATM 377 C4 TAF B 19 3.474 -2.951 -9.729 1.00 12.18 C

HETATM 378 O4 TAF B 19 4.328 -2.123 -9.943 1.00 14.95 O

HETATM 379 C5 TAF B 19 3.688 -4.373 -9.376 1.00 12.16 C

HETATM 380 C5M TAF B 19 5.083 -4.911 -9.265 1.00 14.24 C

HETATM 381 F2' TAF B 19 0.690 -7.093 -10.187 1.00 16.65 F

HETATM 382 C2' TAF B 19 -0.461 -6.462 -9.781 1.00 13.79 C

HETATM 383 C5' TAF B 19 -0.480 -7.805 -6.377 1.00 22.09 C

HETATM 384 C4' TAF B 19 -0.832 -6.749 -7.387 1.00 21.52 C

HETATM 385 O4' TAF B 19 0.193 -5.795 -7.616 1.00 18.03 O

HETATM 386 C1' TAF B 19 0.025 -5.296 -8.919 1.00 15.89 C

HETATM 387 C3' TAF B 19 -1.147 -7.365 -8.737 1.00 17.67 C

HETATM 388 O3' TAF B 19 -2.566 -7.406 -8.790 1.00 22.96 O

HETATM 389 P TAF B 20 -3.332 -8.031 -10.019 1.00 23.69 P

HETATM 390 OP1 TAF B 20 -4.753 -8.422 -9.661 1.00 23.28 O

HETATM 391 OP2 TAF B 20 -2.400 -8.994 -10.745 1.00 19.45 O

HETATM 392 O5' TAF B 20 -3.543 -6.818 -11.004 1.00 23.33 O

HETATM 393 N1 TAF B 20 -0.543 -3.722 -13.000 1.00 13.47 N

HETATM 394 C6 TAF B 20 0.301 -4.799 -12.777 1.00 11.13 C

HETATM 395 C2 TAF B 20 -0.074 -2.478 -13.327 1.00 14.48 C

HETATM 396 O2 TAF B 20 -0.821 -1.551 -13.630 1.00 16.66 O

HETATM 397 N3 TAF B 20 1.313 -2.362 -13.338 1.00 15.63 N

HETATM 398 C4 TAF B 20 2.234 -3.395 -13.060 1.00 13.68 C

HETATM 399 O4 TAF B 20 3.462 -3.182 -13.045 1.00 16.38 O

HETATM 400 C5 TAF B 20 1.640 -4.710 -12.812 1.00 13.31 C

HETATM 401 C5M TAF B 20 2.527 -5.877 -12.565 1.00 15.83 C

HETATM 402 F2' TAF B 20 -1.945 -5.499 -14.285 1.00 20.87 F

HETATM 403 C2' TAF B 20 -2.795 -4.514 -13.843 1.00 17.04 C

HETATM 404 C5' TAF B 20 -4.132 -5.558 -10.604 1.00 22.09 C

HETATM 405 C4' TAF B 20 -3.652 -4.524 -11.586 1.00 16.24 C

HETATM 406 O4' TAF B 20 -2.226 -4.394 -11.580 1.00 15.06 O

HETATM 407 C1' TAF B 20 -1.971 -3.797 -12.826 1.00 13.82 C

HETATM 408 C3' TAF B 20 -4.004 -4.954 -13.001 1.00 16.12 C

HETATM 409 O3' TAF B 20 -5.243 -4.277 -13.274 1.00 20.53 O

ATOM 410 P DC B 21 -5.966 -4.365 -14.711 1.00 25.67 P

ATOM 411 OP1 DC B 21 -7.420 -4.052 -14.542 1.00 23.19 O

ATOM 412 OP2 DC B 21 -5.594 -5.636 -15.328 1.00 30.82 O

ATOM 413 O5' DC B 21 -5.261 -3.247 -15.602 1.00 28.07 O

ATOM 414 C5' DC B 21 -5.311 -1.852 -15.286 1.00 22.47 C

ATOM 415 C4' DC B 21 -4.459 -1.105 -16.278 1.00 22.03 C

ATOM 416 O4' DC B 21 -3.075 -1.397 -16.065 1.00 20.80 O

ATOM 417 C3' DC B 21 -4.741 -1.463 -17.736 1.00 21.63 C

ATOM 418 O3' DC B 21 -5.370 -0.326 -18.288 1.00 27.16 O

ATOM 419 C2' DC B 21 -3.375 -1.784 -18.340 1.00 20.43 C

ATOM 420 C1' DC B 21 -2.387 -1.299 -17.291 1.00 21.40 C

ATOM 421 N1 DC B 21 -1.146 -2.053 -17.102 1.00 20.03 N

ATOM 422 C2 DC B 21 0.083 -1.389 -17.200 1.00 19.75 C

ATOM 423 O2 DC B 21 0.104 -0.196 -17.534 1.00 20.69 O

ATOM 424 N3 DC B 21 1.217 -2.062 -16.925 1.00 19.92 N

ATOM 425 C4 DC B 21 1.165 -3.347 -16.571 1.00 14.90 C

ATOM 426 N4 DC B 21 2.313 -3.945 -16.274 1.00 13.25 N

ATOM 427 C5 DC B 21 -0.068 -4.060 -16.499 1.00 17.08 C

ATOM 428 C6 DC B 21 -1.189 -3.381 -16.776 1.00 19.96 C

ATOM 429 P DG B 22 -6.055 -0.391 -19.727 1.00 29.66 P

ATOM 430 OP1 DG B 22 -6.955 0.767 -19.689 1.00 30.20 O

ATOM 431 OP2 DG B 22 -6.609 -1.730 -20.043 1.00 29.99 O

ATOM 432 O5' DG B 22 -4.825 -0.091 -20.696 1.00 27.36 O

ATOM 433 C5' DG B 22 -4.139 1.185 -20.678 1.00 25.05 C

ATOM 434 C4' DG B 22 -2.943 1.153 -21.604 1.00 21.43 C

ATOM 435 O4' DG B 22 -1.848 0.412 -21.023 1.00 20.87 O

ATOM 436 C3' DG B 22 -3.194 0.515 -22.972 1.00 20.92 C

ATOM 437 O3' DG B 22 -2.396 1.212 -23.931 1.00 22.39 O

ATOM 438 C2' DG B 22 -2.589 -0.865 -22.821 1.00 17.84 C

ATOM 439 C1' DG B 22 -1.394 -0.518 -21.978 1.00 17.78 C

ATOM 440 N9 DG B 22 -0.782 -1.633 -21.285 1.00 17.46 N

ATOM 441 C8 DG B 22 -1.385 -2.781 -20.843 1.00 14.34 C

ATOM 442 N7 DG B 22 -0.544 -3.604 -20.286 1.00 14.16 N

ATOM 443 C5 DG B 22 0.679 -2.959 -20.371 1.00 14.29 C

ATOM 444 C6 DG B 22 1.963 -3.370 -19.950 1.00 15.34 C

ATOM 445 O6 DG B 22 2.283 -4.423 -19.395 1.00 15.26 O

ATOM 446 N1 DG B 22 2.930 -2.406 -20.236 1.00 14.90 N

ATOM 447 C2 DG B 22 2.680 -1.200 -20.844 1.00 12.61 C

ATOM 448 N2 DG B 22 3.727 -0.391 -21.038 1.00 14.83 N

ATOM 449 N3 DG B 22 1.484 -0.814 -21.236 1.00 16.75 N

ATOM 450 C4 DG B 22 0.542 -1.737 -20.972 1.00 15.08 C

ATOM 451 P DC B 23 -2.881 1.339 -25.458 1.00 27.15 P

ATOM 452 OP1 DC B 23 -3.993 2.317 -25.457 1.00 29.82 O

ATOM 453 OP2 DC B 23 -3.067 0.002 -26.131 1.00 28.69 O

ATOM 454 O5' DC B 23 -1.610 2.012 -26.142 1.00 25.85 O

ATOM 455 C5' DC B 23 -0.869 3.070 -25.485 1.00 24.33 C

ATOM 456 C4' DC B 23 0.619 2.824 -25.603 1.00 22.39 C

ATOM 457 O4' DC B 23 1.059 1.898 -24.594 1.00 20.52 O

ATOM 458 C3' DC B 23 1.086 2.220 -26.922 1.00 24.48 C

ATOM 459 O3' DC B 23 1.409 3.248 -27.856 1.00 25.82 O

ATOM 460 C2' DC B 23 2.359 1.499 -26.535 1.00 23.77 C

ATOM 461 C1' DC B 23 2.115 1.097 -25.100 1.00 21.50 C

ATOM 462 N1 DC B 23 1.781 -0.318 -24.853 1.00 18.54 N

ATOM 463 C2 DC B 23 2.805 -1.127 -24.443 1.00 14.10 C

ATOM 464 O2 DC B 23 3.939 -0.637 -24.363 1.00 18.06 O

ATOM 465 N3 DC B 23 2.559 -2.420 -24.143 1.00 14.01 N

ATOM 466 C4 DC B 23 1.325 -2.910 -24.255 1.00 13.67 C

ATOM 467 N4 DC B 23 1.140 -4.194 -23.934 1.00 13.03 N

ATOM 468 C5 DC B 23 0.239 -2.104 -24.701 1.00 13.71 C

ATOM 469 C6 DC B 23 0.510 -0.819 -24.993 1.00 16.26 C

ATOM 470 P DG B 24 1.792 2.862 -29.373 1.00 26.39 P

ATOM 471 OP1 DG B 24 1.853 4.103 -30.172 1.00 28.83 O

ATOM 472 OP2 DG B 24 0.902 1.732 -29.807 1.00 28.07 O

ATOM 473 O5' DG B 24 3.267 2.265 -29.300 1.00 21.63 O

ATOM 474 C5' DG B 24 4.386 3.078 -28.928 1.00 18.73 C

ATOM 475 C4' DG B 24 5.597 2.199 -28.726 1.00 17.14 C

ATOM 476 O4' DG B 24 5.353 1.307 -27.616 1.00 18.22 O

ATOM 477 C3' DG B 24 5.906 1.271 -29.895 1.00 17.68 C

ATOM 478 O3' DG B 24 6.647 1.863 -30.938 1.00 17.24 O

ATOM 479 C2' DG B 24 6.656 0.136 -29.231 1.00 17.17 C

ATOM 480 C1' DG B 24 5.966 0.040 -27.875 1.00 19.72 C

ATOM 481 N9 DG B 24 4.924 -0.990 -27.790 1.00 17.17 N

ATOM 482 C8 DG B 24 3.626 -0.883 -28.203 1.00 14.57 C

ATOM 483 N7 DG B 24 2.929 -1.956 -27.964 1.00 14.41 N

ATOM 484 C5 DG B 24 3.826 -2.818 -27.366 1.00 16.09 C

ATOM 485 C6 DG B 24 3.643 -4.127 -26.874 1.00 15.86 C

ATOM 486 O6 DG B 24 2.622 -4.793 -26.871 1.00 17.05 O

ATOM 487 N1 DG B 24 4.812 -4.649 -26.341 1.00 14.25 N

ATOM 488 C2 DG B 24 6.010 -3.989 -26.288 1.00 14.85 C

ATOM 489 N2 DG B 24 7.042 -4.650 -25.739 1.00 16.45 N

ATOM 490 N3 DG B 24 6.192 -2.764 -26.741 1.00 15.61 N

ATOM 491 C4 DG B 24 5.069 -2.247 -27.258 1.00 14.43 C

TER 492 DG B 24

HETATM 493 MG MG 25 1.865 -8.688 -19.856 1.00 17.38 MG

HETATM 494 O HOH 272 1.796 -6.936 -18.673 1.00 16.87 O

HETATM 495 O HOH 273 3.943 -8.649 -20.026 1.00 15.55 O

HETATM 496 O HOH 274 1.719 -7.338 -21.539 1.00 16.77 O

HETATM 497 O HOH 275 1.780 -10.315 -21.162 1.00 18.17 O

HETATM 498 O HOH 276 2.020 -9.896 -18.129 1.00 20.12 O

HETATM 499 O HOH 277 -0.250 -8.723 -19.841 1.00 19.68 O

HETATM 500 O HOH 101 7.293 10.750 6.019 1.00 19.13 O

HETATM 501 O HOH 102 -0.494 -7.803 -23.257 1.00 29.31 O

HETATM 502 O HOH 103 0.115 -11.154 -22.879 1.00 21.34 O

HETATM 503 O HOH 104 -1.623 -6.231 -19.696 1.00 16.51 O

HETATM 504 O HOH 105 -2.399 0.792 -13.099 1.00 16.31 O

HETATM 505 O HOH 106 -2.705 -2.220 -9.040 1.00 19.45 O

HETATM 506 O HOH 107 1.690 -6.904 -16.034 1.00 14.91 O

HETATM 507 O HOH 108 5.847 -6.776 -16.261 1.00 23.31 O

HETATM 508 O HOH 109 8.565 -8.083 -16.844 1.00 27.61 O

HETATM 509 O HOH 110 -0.809 -7.955 -12.799 1.00 24.01 O

HETATM 510 O HOH 111 -3.058 -4.026 -6.883 1.00 26.39 O

HETATM 511 O HOH 112 -4.203 -1.005 -11.202 1.00 38.99 O

HETATM 512 O HOH 113 -1.135 -3.943 -5.034 1.00 15.91 O

HETATM 513 O HOH 114 1.471 -4.334 -1.675 1.00 14.76 O

HETATM 514 O HOH 115 2.283 -3.629 2.528 1.00 18.55 O

HETATM 515 O HOH 116 4.416 3.841 -19.207 1.00 24.97 O

HETATM 516 O HOH 117 1.336 4.752 -18.766 1.00 37.72 O

HETATM 517 O HOH 118 0.815 1.998 -21.440 1.00 28.13 O

HETATM 518 O HOH 119 8.315 -2.499 -15.068 1.00 35.74 O

HETATM 519 O HOH 120 6.126 -4.190 -14.612 1.00 35.97 O

HETATM 520 O HOH 121 4.155 -8.152 -9.119 1.00 26.31 O

HETATM 521 O HOH 122 3.814 -8.383 -15.016 1.00 26.80 O

HETATM 522 O HOH 123 6.118 -7.731 -12.158 1.00 49.91 O

HETATM 523 O HOH 124 7.186 -6.005 -6.100 1.00 29.34 O

HETATM 524 O HOH 125 -10.645 -2.701 -12.009 1.00 50.00 O

HETATM 525 O HOH 126 7.480 -2.277 -9.949 1.00 31.37 O

HETATM 526 O HOH 127 7.592 -1.078 -12.403 1.00 27.69 O

HETATM 527 O HOH 128 6.464 0.577 -7.714 1.00 30.44 O

HETATM 528 O HOH 129 7.215 -1.814 -6.699 1.00 23.77 O

HETATM 529 O HOH 130 5.357 -4.774 -12.433 0.00 46.84 O

HETATM 530 O HOH 131 6.364 2.324 -9.953 1.00 36.49 O

HETATM 531 O HOH 132 7.543 1.865 -12.491 1.00 32.88 O

HETATM 532 O HOH 133 5.478 4.067 -4.855 1.00 36.90 O

HETATM 533 O HOH 134 7.197 2.204 -4.684 1.00 23.49 O

HETATM 534 O HOH 135 4.299 7.931 -10.650 1.00 31.27 O

HETATM 535 O HOH 136 1.845 7.617 -11.316 1.00 21.06 O

HETATM 536 O HOH 137 -2.079 7.548 -4.269 1.00 33.83 O

HETATM 537 O HOH 138 3.661 7.329 -7.067 1.00 49.80 O

HETATM 538 O HOH 139 4.858 4.967 -10.770 1.00 28.11 O

HETATM 539 O HOH 140 4.107 4.562 -7.578 1.00 21.03 O

HETATM 540 O HOH 141 -2.566 6.814 -8.725 1.00 15.07 O

HETATM 541 O HOH 142 -0.764 8.566 -7.460 1.00 42.33 O

HETATM 542 O HOH 143 9.511 9.322 0.906 1.00 49.71 O

HETATM 543 O HOH 144 7.319 12.336 2.170 0.00 47.76 O

HETATM 544 O HOH 145 -0.984 6.502 -0.574 1.00 47.62 O

HETATM 545 O HOH 146 1.704 5.460 -1.718 1.00 26.52 O

HETATM 546 O HOH 147 1.418 5.414 -4.445 1.00 23.85 O

HETATM 547 O HOH 148 -3.072 3.728 -1.780 1.00 21.14 O

HETATM 548 O HOH 149 5.828 7.557 -1.219 1.00 46.82 O

HETATM 549 O HOH 150 9.476 -2.480 -5.036 1.00 44.64 O

HETATM 550 O HOH 151 -6.901 -1.010 -12.329 1.00 45.87 O

HETATM 551 O HOH 152 -8.761 0.100 -10.632 1.00 27.95 O

HETATM 552 O HOH 153 -7.105 1.420 -13.914 1.00 34.74 O

HETATM 553 O HOH 154 -2.677 -6.730 -16.932 1.00 23.09 O

HETATM 554 O HOH 155 6.380 9.315 -12.603 1.00 39.97 O

HETATM 555 O HOH 156 -0.749 -7.971 -15.723 1.00 19.31 O

HETATM 556 O HOH 157 1.449 -9.580 -12.276 1.00 36.96 O

HETATM 557 O HOH 158 -1.104 -11.284 -9.510 1.00 31.24 O

HETATM 558 O HOH 159 -2.064 -10.979 -7.012 1.00 31.79 O

HETATM 559 O HOH 160 -2.079 -10.729 -3.895 1.00 27.33 O

HETATM 560 O HOH 161 -0.345 -5.946 -3.127 1.00 21.51 O

HETATM 561 O HOH 162 -0.345 -8.280 -1.970 1.00 36.90 O

HETATM 562 O HOH 163 1.064 -12.047 -1.818 1.00 50.00 O

HETATM 563 O HOH 164 2.486 -8.175 0.932 1.00 29.89 O

HETATM 564 O HOH 165 5.126 -4.730 1.705 1.00 25.34 O

HETATM 565 O HOH 166 2.763 6.357 -31.660 1.00 35.65 O

HETATM 566 O HOH 167 -5.469 -10.423 -1.614 1.00 49.73 O

HETATM 567 O HOH 168 9.999 -5.100 9.786 1.00 36.08 O

HETATM 568 O HOH 169 -9.460 -1.713 -16.745 1.00 35.63 O

HETATM 569 O HOH 170 -4.708 -3.282 -20.990 1.00 42.23 O

HETATM 570 O HOH 171 -8.206 -3.276 -18.573 1.00 40.78 O

HETATM 571 O HOH 172 -6.948 -1.505 -24.523 1.00 38.24 O

HETATM 572 O HOH 173 -1.780 -4.861 -23.957 1.00 22.72 O

HETATM 573 O HOH 174 -0.435 -8.920 -27.696 1.00 50.00 O

HETATM 574 O HOH 175 0.596 -1.177 -28.837 1.00 26.81 O

HETATM 575 O HOH 176 -5.953 3.121 -18.348 1.00 35.86 O

HETATM 576 O HOH 177 -5.385 3.103 -15.411 1.00 30.24 O

HETATM 577 O HOH 178 -5.889 5.726 -15.234 1.00 35.38 O

HETATM 578 O HOH 179 -4.026 6.744 -17.433 1.00 24.48 O

HETATM 579 O HOH 180 -10.253 -0.469 -6.492 1.00 39.29 O

HETATM 580 O HOH 181 -5.605 4.818 -5.458 1.00 24.35 O

HETATM 581 O HOH 182 2.498 -8.109 -28.207 1.00 45.60 O

HETATM 582 O HOH 183 -4.026 6.820 -6.155 1.00 19.22 O

HETATM 583 O HOH 184 -5.799 3.841 -2.708 1.00 35.87 O

HETATM 584 O HOH 185 14.938 6.206 -5.441 1.00 36.78 O

HETATM 585 O HOH 186 -7.787 5.561 -12.282 1.00 33.30 O

HETATM 586 O HOH 187 -7.345 -3.659 -9.329 1.00 46.43 O

HETATM 587 O HOH 188 -0.909 -2.890 -31.147 1.00 48.88 O

HETATM 588 O HOH 189 -6.370 0.964 -0.551 0.00 48.40 O

HETATM 589 O HOH 190 -5.825 -3.647 3.862 1.00 49.56 O

HETATM 590 O HOH 191 -3.695 -2.188 6.505 1.00 39.03 O

HETATM 591 O HOH 192 -0.274 -4.412 10.275 1.00 42.66 O

HETATM 592 O HOH 193 3.880 -5.535 11.062 1.00 24.96 O

HETATM 593 O HOH 194 6.111 -5.856 12.626 1.00 32.88 O

HETATM 594 O HOH 195 -9.373 3.968 -14.834 0.00 50.00 O

HETATM 595 O HOH 196 14.495 1.541 -20.066 1.00 47.16 O

HETATM 596 O HOH 197 -8.267 5.387 -19.105 1.00 48.03 O

HETATM 597 O HOH 198 -3.160 4.857 4.166 1.00 41.03 O

HETATM 598 O HOH 199 2.640 -5.319 0.683 1.00 24.13 O

HETATM 599 O HOH 200 9.130 4.935 -3.290 0.00 50.00 O

HETATM 600 O HOH 201 -5.599 9.331 -13.782 1.00 16.61 O

HETATM 601 O HOH 202 4.323 10.819 -14.198 1.00 31.33 O

HETATM 602 O HOH 203 -3.019 2.602 -15.070 1.00 29.81 O

HETATM 603 O HOH 204 10.071 0.547 -13.069 1.00 37.58 O

HETATM 604 O HOH 205 12.200 5.573 -14.053 1.00 42.60 O

HETATM 605 O HOH 206 -6.058 8.215 -19.514 1.00 42.47 O

HETATM 606 O HOH 207 11.383 -2.387 -15.547 1.00 45.56 O

HETATM 607 O HOH 208 0.464 -4.745 -27.946 1.00 31.02 O

HETATM 608 O HOH 209 7.693 5.024 -10.718 0.00 50.00 O

HETATM 609 O HOH 210 8.125 -9.410 -18.934 1.00 26.12 O

HETATM 610 O HOH 211 -8.062 6.886 -16.426 1.00 46.66 O

HETATM 611 O HOH 212 3.974 -10.726 -16.621 1.00 21.40 O

HETATM 612 O HOH 213 8.675 -5.528 -15.193 0.00 50.00 O

HETATM 613 O HOH 214 15.090 -6.788 -20.472 1.00 30.20 O

HETATM 614 O HOH 215 11.423 6.841 -19.124 1.00 38.83 O

HETATM 615 O HOH 216 3.890 -10.389 7.778 1.00 46.19 O

HETATM 616 O HOH 217 -0.093 8.253 -18.647 1.00 28.40 O

HETATM 617 O HOH 218 -3.610 -8.768 -23.490 1.00 39.71 O

HETATM 618 O HOH 219 -4.711 -5.001 -17.728 1.00 44.88 O

HETATM 619 O HOH 220 -11.336 -1.269 -4.063 1.00 46.03 O

HETATM 620 O HOH 221 11.347 -6.049 -3.763 1.00 49.83 O

HETATM 621 O HOH 222 -10.559 -5.044 -9.199 0.00 50.00 O

HETATM 622 O HOH 223 -13.302 -3.946 -7.737 1.00 50.00 O

HETATM 623 O HOH 224 -6.975 -8.452 -11.253 1.00 46.64 O

HETATM 624 O HOH 225 -9.605 -7.976 -13.922 1.00 49.69 O

HETATM 625 O HOH 226 -0.280 12.847 8.526 1.00 32.44 O

HETATM 626 O HOH 227 11.497 4.525 -3.338 1.00 50.00 O

HETATM 627 O HOH 228 -7.082 2.476 -22.558 1.00 48.87 O

HETATM 628 O HOH 229 -9.079 -5.458 -0.953 1.00 50.00 O

HETATM 629 O HOH 230 -2.289 -10.521 1.638 1.00 40.43 O

HETATM 630 O HOH 231 3.834 -10.253 3.885 1.00 49.89 O

HETATM 631 O HOH 232 0.834 -11.894 6.422 1.00 50.00 O

HETATM 632 O HOH 233 -7.560 -6.067 -5.679 1.00 48.59 O

HETATM 633 O HOH 234 5.342 -9.209 5.934 1.00 35.66 O

HETATM 634 O HOH 235 13.716 7.085 -3.256 1.00 45.69 O

HETATM 635 O HOH 236 0.981 9.006 1.872 1.00 47.62 O

HETATM 636 O HOH 237 -0.394 -10.096 -30.694 1.00 50.00 O

HETATM 637 O HOH 238 -5.546 6.517 5.067 1.00 45.55 O

HETATM 638 O HOH 239 1.475 -13.789 -4.371 0.00 50.00 O

HETATM 639 O HOH 240 -4.565 -9.904 -7.287 1.00 44.08 O

HETATM 640 O HOH 241 -0.335 -13.261 -6.222 1.00 44.43 O

HETATM 641 O HOH 242 7.052 -8.390 -7.214 1.00 49.57 O

HETATM 642 O HOH 243 -0.359 3.440 -16.833 1.00 42.81 O

HETATM 643 O HOH 244 9.667 2.536 -8.836 1.00 50.00 O

HETATM 644 O HOH 245 14.776 0.389 -14.970 0.00 50.00 O

HETATM 645 O HOH 246 8.744 -7.001 4.278 1.00 49.82 O

HETATM 646 O HOH 247 14.115 4.317 -10.052 1.00 42.79 O

HETATM 647 O HOH 248 -1.943 -7.417 11.245 1.00 50.00 O

HETATM 648 O HOH 249 14.467 -8.998 -18.926 1.00 49.76 O

HETATM 649 O HOH 250 -4.401 2.381 1.031 1.00 50.00 O

HETATM 650 O HOH 251 1.391 -6.302 9.471 0.00 50.00 O

HETATM 651 O HOH 252 6.368 13.824 -0.785 1.00 50.00 O

HETATM 652 O HOH 253 -3.946 -7.987 -4.507 1.00 45.17 O

HETATM 653 O HOH 254 10.131 -10.107 -14.806 1.00 50.00 O

HETATM 654 O HOH 255 -9.417 -10.799 -11.431 1.00 50.00 O

HETATM 655 O HOH 256 12.298 -8.725 -17.483 1.00 43.48 O

HETATM 656 O HOH 257 -3.149 -9.551 4.373 0.00 50.00 O

HETATM 657 O HOH 258 -9.620 -4.689 -16.740 1.00 35.04 O

HETATM 658 O HOH 259 -2.929 -11.170 -12.829 1.00 44.74 O

HETATM 659 O HOH 260 -5.646 -11.001 -10.289 1.00 47.37 O

HETATM 660 O HOH 261 13.623 1.810 -13.074 1.00 47.76 O

HETATM 661 O HOH 262 10.409 -6.789 -13.592 1.00 48.56 O

HETATM 662 O HOH 263 -4.434 -4.192 -23.389 1.00 49.76 O

HETATM 663 O HOH 264 -11.188 -7.882 -11.666 0.00 50.00 O

HETATM 664 O HOH 265 -6.480 5.813 8.115 0.00 50.00 O

HETATM 665 O HOH 266 11.808 2.677 -10.503 0.00 50.00 O

HETATM 666 O HOH 267 3.009 -12.480 -7.804 0.00 50.00 O

HETATM 667 O HOH 268 -3.042 -0.150 -30.918 0.00 50.00 O

HETATM 668 O HOH 269 6.394 8.398 -8.810 0.00 50.00 O

HETATM 669 O HOH 270 -2.976 -7.973 -26.266 0.00 50.00 O

HETATM 670 O HOH 271 -2.078 -5.366 8.647 0.00 47.22 O

CONECT 122 123 124 125

CONECT 123 122

CONECT 124 122

CONECT 125 122 137

CONECT 126 127 128 140

CONECT 127 126 133

CONECT 128 126 129 130

CONECT 129 128

CONECT 130 128 131

CONECT 131 130 132 133

CONECT 132 131

CONECT 133 127 131 134

CONECT 134 133

CONECT 135 136

CONECT 136 135 140 141

CONECT 137 125 138

CONECT 138 137 139 141

CONECT 139 138 140

CONECT 140 126 136 139

CONECT 141 136 138 142

CONECT 142 141

CONECT 143 144 145 146

CONECT 144 143

CONECT 145 143

CONECT 146 143 158

CONECT 147 148 149 161

CONECT 148 147 154

CONECT 149 147 150 151

CONECT 150 149

CONECT 151 149 152

CONECT 152 151 153 154

CONECT 153 152

CONECT 154 148 152 155

CONECT 155 154

CONECT 156 157

CONECT 157 156 161 162

CONECT 158 146 159

CONECT 159 158 160 162

CONECT 160 159 161

CONECT 161 147 157 160

CONECT 162 157 159 163

CONECT 163 162