HEADER DEOXYRIBONUCLEIC ACID 20-APR-98 388D

TITLE CRYSTAL STRUCTURE OF B-DNA WITH INCORPORATED

TITLE 2 2'-DEOXY-2'-FLUORO-ARABINO-FURANOSYL THYMINES: IMPLICATIONS

TITLE 3 OF CONFORMATIONAL PREORGANIZATION FOR DUPLEX STABILITY

COMPND MOL_ID: 1;

COMPND 2 MOLECULE: DNA

COMPND 3 (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3');

COMPND 4 CHAIN: A, B;

COMPND 5 ENGINEERED: YES

SOURCE MOL_ID: 1;

SOURCE 2 SYNTHETIC: YES

KEYWDS B-DNA, DOUBLE HELIX, MODIFIED, DEOXYRIBONUCLEIC ACID

EXPDTA X-RAY DIFFRACTION

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

REVDAT 1 15-JUL-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 0389

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) : 8.0

REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.0

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 : 490

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 PARAMETER FILE 2 : NULL

REMARK 3 TOPOLOGY FILE 1 : NULL

REMARK 3 TOPOLOGY FILE 2 : NULL

REMARK 3

REMARK 3 OTHER REFINEMENT REMARKS: NULL

REMARK 4

REMARK 4 388D COMPLIES WITH FORMAT V. 2.2, 16-DEC-1996

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 106

REMARK 106 THE HYDROGEN BONDS BETWEEN BASE PAIRS IN THIS ENTRY FOLLOW

REMARK 106 THE CONVENTIONAL WATSON-CRICK HYDROGEN BONDING PATTERN.

REMARK 106 THEY HAVE NOT BEEN PRESENTED ON *CONECT* RECORDS IN THIS

REMARK 106 ENTRY.

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 : 7.0

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 R-AXIS 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) : 1.5

REMARK 200 RESOLUTION RANGE LOW (A) : 34.0

REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 1.0

REMARK 200

REMARK 200 OVERALL.

REMARK 200 COMPLETENESS FOR RANGE (%) : NULL

REMARK 200 DATA REDUNDANCY : 7.5

REMARK 200 R MERGE (I) : 0.058

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 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:

REMARK 280 CRYSTALS WERE OBTAINED FROM A SOLUTION THAT CONTAINED

REMARK 280 NA CACODYLATE, MG ACETATE, SPERMINE TETRACLORIDE.

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 12.46510

REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000

REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 32.81055

REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000

REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 19.91001

REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 32.81055

REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 12.46510

REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 19.91001

REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000

REMARK 290

REMARK 290 REMARK: NULL

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 0 HOH 125 DISTANCE = 5.77 ANGSTROMS

REMARK 525 0 HOH 143 DISTANCE = 5.67 ANGSTROMS

REMARK 525 0 HOH 155 DISTANCE = 6.34 ANGSTROMS

REMARK 525 0 HOH 172 DISTANCE = 5.33 ANGSTROMS

REMARK 525 0 HOH 174 DISTANCE = 5.94 ANGSTROMS

REMARK 525 0 HOH 182 DISTANCE = 5.31 ANGSTROMS

REMARK 525 0 HOH 185 DISTANCE = 5.04 ANGSTROMS

REMARK 525 0 HOH 187 DISTANCE = 5.22 ANGSTROMS

REMARK 525 0 HOH 190 DISTANCE = 5.01 ANGSTROMS

REMARK 525 0 HOH 205 DISTANCE = 5.05 ANGSTROMS

REMARK 525 0 HOH 215 DISTANCE = 5.22 ANGSTROMS

REMARK 525 0 HOH 222 DISTANCE = 6.15 ANGSTROMS

REMARK 525 0 HOH 223 DISTANCE = 6.64 ANGSTROMS

REMARK 525 0 HOH 225 DISTANCE = 8.10 ANGSTROMS

REMARK 525 0 HOH 232 DISTANCE = 6.15 ANGSTROMS

REMARK 525 0 HOH 237 DISTANCE = 5.15 ANGSTROMS

REMARK 525 0 HOH 252 DISTANCE = 6.23 ANGSTROMS

REMARK 525 0 HOH 255 DISTANCE = 6.01 ANGSTROMS

REMARK 525 0 HOH 264 DISTANCE = 6.91 ANGSTROMS

DBREF 388D A 1 12 NDB BDLB84 BDLB84 1 12

DBREF 388D B 13 24 NDB BDLB84 BDLB84 13 24

SEQRES 1 A 12 C G C G A A +T +T C G C G

SEQRES 1 B 12 C G C G A A +T +T C G C G

MODRES 388D +T A 7 T THYMINE MODIFIED WITH FLO

MODRES 388D +T A 8 T THYMINE MODIFIED WITH FLO

MODRES 388D +T B 19 T THYMINE MODIFIED WITH FLO

MODRES 388D +T B 20 T THYMINE MODIFIED WITH FLO

HET FLO A 7 1

HET FLO A 8 1

HET FLO B 19 1

HET FLO B 20 1

HET MO6 25 7

HETNAM FLO FLUORO GROUP

HETNAM MO6 MAGNESIUM ION, 6 WATERS COORDINATED

FORMUL 3 FLO 4(F1)

FORMUL 4 MO6 H12 O6 MG1 2+

FORMUL 5 HOH *171(H2 O1)

LINK F FLO A 7 C2* +T A 7

LINK F FLO A 8 C2* +T A 8

LINK F FLO B 19 C2* +T B 19

LINK F FLO B 20 C2* +T B 20

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* C A 1 7.585 -14.212 -23.757 1.00 20.64 O

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

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

ATOM 4 O4* C A 1 7.063 -10.749 -24.607 1.00 20.70 O

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

ATOM 6 O3* C A 1 9.506 -10.998 -22.786 1.00 21.52 O

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

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

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

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

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

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

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

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

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

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

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

ATOM 18 O1P G A 2 11.789 -10.926 -21.703 1.00 26.44 O

ATOM 19 O2P G A 2 9.673 -10.954 -20.267 1.00 23.73 O

ATOM 20 O5* G A 2 10.274 -8.968 -21.573 1.00 27.97 O

ATOM 21 C5* G A 2 11.106 -8.193 -22.444 1.00 21.11 C

ATOM 22 C4* G A 2 11.022 -6.745 -22.032 1.00 18.04 C

ATOM 23 O4* G A 2 9.716 -6.217 -22.355 1.00 20.04 O

ATOM 24 C3* G A 2 11.216 -6.510 -20.534 1.00 19.03 C

ATOM 25 O3* G A 2 12.056 -5.363 -20.415 1.00 22.72 O

ATOM 26 C2* G A 2 9.800 -6.277 -20.014 1.00 16.26 C

ATOM 27 C1* G A 2 9.106 -5.645 -21.212 1.00 14.78 C

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

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

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

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

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

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

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

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

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

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

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

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

ATOM 40 O1P C A 3 13.988 -4.794 -19.037 1.00 17.57 O

ATOM 41 O2P C A 3 11.837 -5.490 -17.834 1.00 24.30 O

ATOM 42 O5* C A 3 11.981 -3.344 -18.943 1.00 21.43 O

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

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

ATOM 45 O4* C A 3 9.996 -2.106 -20.402 1.00 17.97 O

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

ATOM 47 O3* C A 3 11.654 0.569 -18.771 1.00 28.16 O

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

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

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

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

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

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

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

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

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

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

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

ATOM 59 O1P G A 4 13.085 2.006 -17.299 1.00 36.76 O

ATOM 60 O2P G A 4 11.374 0.430 -16.249 1.00 28.35 O

ATOM 61 O5* G A 4 10.660 2.423 -17.408 1.00 26.56 O

ATOM 62 C5* G A 4 10.388 3.181 -18.578 1.00 20.58 C

ATOM 63 C4* G A 4 9.086 3.908 -18.368 1.00 19.93 C

ATOM 64 O4* G A 4 7.997 2.961 -18.440 1.00 21.47 O

ATOM 65 C3* G A 4 8.982 4.566 -16.988 1.00 23.88 C

ATOM 66 O3* G A 4 8.229 5.764 -17.169 1.00 27.31 O

ATOM 67 C2* G A 4 8.187 3.561 -16.173 1.00 18.95 C

ATOM 68 C1* G A 4 7.267 2.961 -17.221 1.00 20.23 C

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

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

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

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

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

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

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

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

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

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

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

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

ATOM 81 O1P A A 5 8.251 8.108 -16.379 1.00 32.71 O

ATOM 82 O2P A A 5 8.419 6.216 -14.633 1.00 31.31 O

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

ATOM 102 O1P A A 6 0.376 9.372 -15.805 1.00 16.45 O

ATOM 103 O2P A A 6 2.175 9.275 -14.001 1.00 17.80 O

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

ATOM 122 P +T A 7 -4.289 6.609 -12.042 1.00 15.79 P

ATOM 123 O1P +T A 7 -5.590 6.837 -12.683 1.00 13.32 O

ATOM 124 O2P +T A 7 -3.710 7.604 -11.115 1.00 17.63 O

ATOM 125 O5* +T A 7 -4.483 5.342 -11.122 1.00 17.23 O

ATOM 126 C5* +T A 7 -4.845 4.080 -11.699 1.00 15.60 C

ATOM 127 C4* +T A 7 -4.500 2.952 -10.761 1.00 15.40 C

ATOM 128 O4* +T A 7 -3.084 2.888 -10.521 1.00 15.66 O

ATOM 129 C3* +T A 7 -5.176 3.143 -9.408 1.00 17.47 C

ATOM 130 O3* +T A 7 -6.357 2.304 -9.379 1.00 17.24 O

ATOM 131 C2* +T A 7 -4.081 2.821 -8.402 1.00 18.29 C

ATOM 132 C1* +T A 7 -2.958 2.261 -9.271 1.00 18.05 C

ATOM 133 N1 +T A 7 -1.581 2.480 -8.787 1.00 16.68 N

ATOM 134 C2 +T A 7 -0.923 1.356 -8.284 1.00 15.18 C

ATOM 135 O2 +T A 7 -1.437 0.257 -8.160 1.00 16.94 O

ATOM 136 N3 +T A 7 0.354 1.569 -7.924 1.00 14.00 N

ATOM 137 C4 +T A 7 1.067 2.725 -7.975 1.00 10.17 C

ATOM 138 O4 +T A 7 2.211 2.688 -7.640 1.00 12.24 O

ATOM 139 C5 +T A 7 0.316 3.929 -8.465 1.00 12.82 C

ATOM 140 C5M +T A 7 0.984 5.264 -8.526 1.00 12.69 C

ATOM 141 C6 +T A 7 -0.960 3.729 -8.848 1.00 14.21 C

ATOM 142 P +T A 8 -7.355 2.283 -8.102 1.00 19.28 P

ATOM 143 O1P +T A 8 -8.607 1.702 -8.634 1.00 18.63 O

ATOM 144 O2P +T A 8 -7.414 3.658 -7.518 1.00 21.93 O

ATOM 145 O5* +T A 8 -6.690 1.263 -7.074 1.00 17.83 O

ATOM 146 C5* +T A 8 -6.479 -0.111 -7.479 1.00 16.57 C

ATOM 147 C4* +T A 8 -5.496 -0.807 -6.571 1.00 17.90 C

ATOM 148 O4* +T A 8 -4.246 -0.095 -6.524 1.00 17.12 O

ATOM 149 C3* +T A 8 -5.992 -0.840 -5.129 1.00 20.83 C

ATOM 150 O3* +T A 8 -6.447 -2.192 -4.903 1.00 25.78 O

ATOM 151 C2* +T A 8 -4.767 -0.529 -4.308 1.00 17.61 C

ATOM 152 C1* +T A 8 -3.673 -0.494 -5.308 1.00 18.58 C

ATOM 153 N1 +T A 8 -2.657 0.466 -4.971 1.00 14.68 N

ATOM 154 C2 +T A 8 -1.446 -0.078 -4.679 1.00 13.31 C

ATOM 155 O2 +T A 8 -1.274 -1.266 -4.485 1.00 16.97 O

ATOM 156 N3 +T A 8 -0.444 0.834 -4.543 1.00 13.92 N

ATOM 157 C4 +T A 8 -0.513 2.217 -4.689 1.00 10.61 C

ATOM 158 O4 +T A 8 0.529 2.887 -4.632 1.00 10.52 O

ATOM 159 C5 +T A 8 -1.884 2.747 -4.893 1.00 12.02 C

ATOM 160 C5M +T A 8 -2.130 4.215 -5.012 1.00 13.82 C

ATOM 161 C6 +T A 8 -2.854 1.835 -5.037 1.00 16.90 C

ATOM 162 P C A 9 -7.010 -2.681 -3.455 1.00 26.14 P

ATOM 163 O1P C A 9 -7.985 -3.779 -3.759 1.00 29.66 O

ATOM 164 O2P C A 9 -7.463 -1.552 -2.637 1.00 31.51 O

ATOM 165 O5* C A 9 -5.728 -3.309 -2.729 1.00 23.17 O

ATOM 166 C5* C A 9 -4.877 -4.228 -3.426 1.00 22.56 C

ATOM 167 C4* C A 9 -3.666 -4.564 -2.595 1.00 20.68 C

ATOM 168 O4* C A 9 -2.722 -3.480 -2.514 1.00 20.03 O

ATOM 169 C3* C A 9 -3.955 -4.973 -1.159 1.00 23.27 C

ATOM 170 O3* C A 9 -3.191 -6.156 -0.949 1.00 25.84 O

ATOM 171 C2* C A 9 -3.465 -3.782 -0.333 1.00 17.07 C

ATOM 172 C1* C A 9 -2.315 -3.255 -1.169 1.00 18.91 C

ATOM 173 N1 C A 9 -1.966 -1.831 -1.100 1.00 17.50 N

ATOM 174 C2 C A 9 -0.622 -1.434 -0.823 1.00 16.31 C

ATOM 175 O2 C A 9 0.238 -2.288 -0.509 1.00 16.84 O

ATOM 176 N3 C A 9 -0.308 -0.122 -0.914 1.00 16.71 N

ATOM 177 C4 C A 9 -1.257 0.780 -1.203 1.00 16.80 C

ATOM 178 N4 C A 9 -0.883 2.058 -1.289 1.00 14.20 N

ATOM 179 C5 C A 9 -2.621 0.409 -1.427 1.00 15.35 C

ATOM 180 C6 C A 9 -2.926 -0.890 -1.359 1.00 16.05 C

ATOM 181 P G A 10 -3.546 -7.151 0.250 1.00 28.17 P

ATOM 182 O1P G A 10 -3.116 -8.506 -0.156 1.00 27.75 O

ATOM 183 O2P G A 10 -4.938 -6.935 0.756 1.00 27.60 O

ATOM 184 O5* G A 10 -2.609 -6.596 1.410 1.00 26.11 O

ATOM 185 C5* G A 10 -1.183 -6.634 1.287 1.00 22.29 C

ATOM 186 C4* G A 10 -0.570 -5.898 2.450 1.00 23.90 C

ATOM 187 O4* G A 10 -0.689 -4.493 2.172 1.00 20.82 O

ATOM 188 C3* G A 10 -1.298 -6.128 3.784 1.00 21.52 C

ATOM 189 O3* G A 10 -0.347 -6.065 4.859 1.00 29.01 O

ATOM 190 C2* G A 10 -2.174 -4.896 3.914 1.00 22.86 C

ATOM 191 C1* G A 10 -1.211 -3.891 3.326 1.00 20.61 C

ATOM 192 N9 G A 10 -1.653 -2.548 2.978 1.00 18.39 N

ATOM 193 C8 G A 10 -2.920 -2.111 2.715 1.00 18.12 C

ATOM 194 N7 G A 10 -2.964 -0.837 2.427 1.00 17.03 N

ATOM 195 C5 G A 10 -1.642 -0.417 2.506 1.00 16.35 C

ATOM 196 C6 G A 10 -1.056 0.873 2.298 1.00 12.44 C

ATOM 197 O6 G A 10 -1.608 1.923 1.965 1.00 16.55 O

ATOM 198 N1 G A 10 0.314 0.850 2.510 1.00 12.70 N

ATOM 199 C2 G A 10 1.031 -0.262 2.860 1.00 12.90 C

ATOM 200 N2 G A 10 2.327 -0.088 3.018 1.00 12.96 N

ATOM 201 N3 G A 10 0.505 -1.459 3.042 1.00 13.63 N

ATOM 202 C4 G A 10 -0.822 -1.462 2.853 1.00 13.13 C

ATOM 203 P C A 11 0.212 -7.418 5.532 1.00 32.12 P

ATOM 204 O1P C A 11 0.371 -8.463 4.488 1.00 34.16 O

ATOM 205 O2P C A 11 -0.675 -7.651 6.693 1.00 35.80 O

ATOM 206 O5* C A 11 1.692 -7.041 5.952 1.00 22.62 O

ATOM 207 C5* C A 11 2.688 -6.958 4.932 1.00 23.22 C

ATOM 208 C4* C A 11 3.667 -5.850 5.232 1.00 23.10 C

ATOM 209 O4* C A 11 3.108 -4.530 5.070 1.00 23.58 O

ATOM 210 C3* C A 11 4.266 -5.877 6.629 1.00 19.01 C

ATOM 211 O3* C A 11 5.636 -5.562 6.441 1.00 20.90 O

ATOM 212 C2* C A 11 3.532 -4.753 7.358 1.00 22.11 C

ATOM 213 C1* C A 11 3.283 -3.745 6.243 1.00 18.74 C

ATOM 214 N1 C A 11 2.092 -2.904 6.333 1.00 18.89 N

ATOM 215 C2 C A 11 2.200 -1.505 6.107 1.00 15.13 C

ATOM 216 O2 C A 11 3.325 -1.001 5.929 1.00 15.46 O

ATOM 217 N3 C A 11 1.071 -0.761 6.087 1.00 15.00 N

ATOM 218 C4 C A 11 -0.118 -1.349 6.282 1.00 12.80 C

ATOM 219 N4 C A 11 -1.212 -0.595 6.211 1.00 16.97 N

ATOM 220 C5 C A 11 -0.240 -2.746 6.550 1.00 16.84 C

ATOM 221 C6 C A 11 0.876 -3.474 6.571 1.00 13.12 C

ATOM 222 P G A 12 6.710 -5.951 7.561 1.00 23.65 P

ATOM 223 O1P G A 12 7.999 -6.033 6.842 1.00 22.01 O

ATOM 224 O2P G A 12 6.197 -7.071 8.376 1.00 23.00 O

ATOM 225 O5* G A 12 6.750 -4.701 8.536 1.00 26.22 O

ATOM 226 C5* G A 12 7.535 -3.527 8.257 1.00 23.21 C

ATOM 227 C4* G A 12 7.080 -2.414 9.169 1.00 18.75 C

ATOM 228 O4* G A 12 5.743 -1.993 8.837 1.00 19.17 O

ATOM 229 C3* G A 12 6.989 -2.885 10.615 1.00 18.47 C

ATOM 230 O3* G A 12 8.224 -2.490 11.160 1.00 20.89 O

ATOM 231 C2* G A 12 5.846 -2.084 11.214 1.00 19.15 C

ATOM 232 C1* G A 12 5.204 -1.402 10.019 1.00 18.93 C

ATOM 233 N9 G A 12 3.750 -1.445 9.948 1.00 18.50 N

ATOM 234 C8 G A 12 2.904 -2.526 10.088 1.00 16.72 C

ATOM 235 N7 G A 12 1.645 -2.206 9.946 1.00 16.38 N

ATOM 236 C5 G A 12 1.662 -0.836 9.707 1.00 18.51 C

ATOM 237 C6 G A 12 0.592 0.089 9.476 1.00 17.06 C

ATOM 238 O6 G A 12 -0.626 -0.127 9.434 1.00 19.33 O

ATOM 239 N1 G A 12 1.071 1.389 9.288 1.00 18.79 N

ATOM 240 C2 G A 12 2.394 1.760 9.324 1.00 14.83 C

ATOM 241 N2 G A 12 2.660 3.070 9.145 1.00 15.78 N

ATOM 242 N3 G A 12 3.389 0.911 9.528 1.00 15.47 N

ATOM 243 C4 G A 12 2.952 -0.357 9.711 1.00 17.24 C

TER 244 G A 12

HETATM 245 F FLO A 7 -3.627 3.823 -7.592 1.00 18.00 F

HETATM 246 F FLO A 8 -5.110 0.630 -3.666 1.00 22.61 F

ATOM 247 O5* C B 13 -4.365 8.338 9.917 1.00 31.34 O

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

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

ATOM 250 O4* C B 13 -1.644 7.394 9.400 1.00 31.95 O

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

ATOM 252 O3* C B 13 -1.183 8.840 6.967 1.00 33.23 O

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

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

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

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

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

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

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

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

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

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

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

ATOM 264 O1P G B 14 -1.304 11.336 6.809 1.00 39.94 O

ATOM 265 O2P G B 14 -1.832 9.766 4.872 1.00 33.49 O

ATOM 266 O5* G B 14 0.567 10.067 5.734 1.00 31.62 O

ATOM 267 C5* G B 14 1.574 10.099 6.779 1.00 27.15 C

ATOM 268 C4* G B 14 2.613 9.027 6.518 1.00 24.58 C

ATOM 269 O4* G B 14 2.065 7.746 6.872 1.00 25.43 O

ATOM 270 C3* G B 14 3.049 8.891 5.057 1.00 22.71 C

ATOM 271 O3* G B 14 4.294 9.565 4.879 1.00 18.16 O

ATOM 272 C2* G B 14 3.337 7.410 4.890 1.00 24.29 C

ATOM 273 C1* G B 14 2.599 6.742 6.018 1.00 22.97 C

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

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

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

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

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

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

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

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

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

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

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

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

ATOM 286 O1P C B 15 6.188 10.456 3.528 1.00 21.21 O

ATOM 287 O2P C B 15 3.941 9.930 2.443 1.00 20.53 O

ATOM 288 O5* C B 15 5.485 8.142 3.110 1.00 20.18 O

ATOM 289 C5* C B 15 6.644 7.606 3.758 1.00 18.91 C

ATOM 290 C4* C B 15 6.658 6.108 3.599 1.00 17.52 C

ATOM 291 O4* C B 15 5.337 5.608 3.872 1.00 18.65 O

ATOM 292 C3* C B 15 6.956 5.626 2.187 1.00 18.53 C

ATOM 293 O3* C B 15 8.364 5.497 2.067 1.00 18.62 O

ATOM 294 C2* C B 15 6.287 4.266 2.147 1.00 20.26 C

ATOM 295 C1* C B 15 5.127 4.425 3.106 1.00 17.19 C

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

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

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

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

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

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

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

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

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

ATOM 305 O1P G B 16 10.426 5.771 0.732 1.00 24.65 O

ATOM 306 O2P G B 16 8.121 5.840 -0.400 1.00 23.75 O

ATOM 307 O5* G B 16 9.069 3.693 0.430 1.00 24.39 O

ATOM 308 C5* G B 16 9.665 2.801 1.405 1.00 22.94 C

ATOM 309 C4* G B 16 9.376 1.365 1.030 1.00 19.08 C

ATOM 310 O4* G B 16 7.942 1.166 1.011 1.00 18.49 O

ATOM 311 C3* G B 16 9.872 0.973 -0.364 1.00 21.44 C

ATOM 312 O3* G B 16 10.317 -0.395 -0.238 1.00 25.60 O

ATOM 313 C2* G B 16 8.649 1.179 -1.239 1.00 16.39 C

ATOM 314 C1* G B 16 7.508 0.837 -0.305 1.00 16.04 C

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

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

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

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

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

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

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

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

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

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

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

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

ATOM 327 O1P A B 17 11.478 -2.280 -1.159 1.00 23.70 O

ATOM 328 O2P A B 17 10.272 -0.729 -2.804 1.00 28.23 O

ATOM 329 O5* A B 17 8.969 -2.208 -1.414 1.00 21.88 O

ATOM 330 C5* A B 17 8.508 -2.820 -0.219 1.00 20.79 C

ATOM 331 C4* A B 17 7.390 -3.772 -0.564 1.00 18.87 C

ATOM 332 O4* A B 17 6.187 -3.042 -0.907 1.00 19.51 O

ATOM 333 C3* A B 17 7.689 -4.664 -1.767 1.00 22.96 C

ATOM 334 O3* A B 17 7.084 -5.924 -1.470 1.00 27.02 O

ATOM 335 C2* A B 17 6.977 -3.963 -2.916 1.00 22.39 C

ATOM 336 C1* A B 17 5.771 -3.305 -2.249 1.00 20.11 C

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

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

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

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

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

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

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

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

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

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

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

ATOM 348 O1P A B 18 7.029 -8.341 -1.734 1.00 32.15 O

ATOM 349 O2P A B 18 8.152 -6.933 -3.530 1.00 22.51 O

ATOM 350 O5* A B 18 5.668 -6.984 -3.251 1.00 18.87 O

ATOM 351 C5* A B 18 4.477 -7.093 -2.491 1.00 15.40 C

ATOM 352 C4* A B 18 3.274 -6.897 -3.378 1.00 20.67 C

ATOM 353 O4* A B 18 3.127 -5.524 -3.813 1.00 19.88 O

ATOM 354 C3* A B 18 3.225 -7.755 -4.640 1.00 22.71 C

ATOM 355 O3* A B 18 1.956 -8.396 -4.640 1.00 26.47 O

ATOM 356 C2* A B 18 3.397 -6.751 -5.777 1.00 20.18 C

ATOM 357 C1* A B 18 2.822 -5.471 -5.198 1.00 19.06 C

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

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

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

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

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

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

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

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

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

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

ATOM 368 P +T B 19 1.547 -9.402 -5.775 1.00 23.28 P

ATOM 369 O1P +T B 19 0.585 -10.333 -5.119 1.00 25.24 O

ATOM 370 O2P +T B 19 2.758 -9.932 -6.510 1.00 21.14 O

ATOM 371 O5* +T B 19 0.787 -8.426 -6.761 1.00 22.07 O

ATOM 372 C5* +T B 19 -0.480 -7.805 -6.377 1.00 22.09 C

ATOM 373 C4* +T B 19 -0.832 -6.749 -7.387 1.00 21.52 C

ATOM 374 O4* +T B 19 0.193 -5.795 -7.616 1.00 18.03 O

ATOM 375 C3* +T B 19 -1.147 -7.365 -8.737 1.00 17.67 C

ATOM 376 O3* +T B 19 -2.566 -7.406 -8.790 1.00 22.96 O

ATOM 377 C2* +T B 19 -0.461 -6.462 -9.781 1.00 13.79 C

ATOM 378 C1* +T B 19 0.025 -5.296 -8.919 1.00 15.89 C

ATOM 379 N1 +T B 19 1.263 -4.580 -9.246 1.00 13.62 N

ATOM 380 C2 +T B 19 1.036 -3.308 -9.597 1.00 13.69 C

ATOM 381 O2 +T B 19 -0.090 -2.849 -9.715 1.00 15.89 O

ATOM 382 N3 +T B 19 2.154 -2.560 -9.815 1.00 12.33 N

ATOM 383 C4 +T B 19 3.474 -2.951 -9.729 1.00 12.18 C

ATOM 384 O4 +T B 19 4.328 -2.123 -9.943 1.00 14.95 O

ATOM 385 C5 +T B 19 3.688 -4.373 -9.376 1.00 12.16 C

ATOM 386 C5M +T B 19 5.083 -4.911 -9.265 1.00 14.24 C

ATOM 387 C6 +T B 19 2.566 -5.115 -9.156 1.00 11.91 C

ATOM 388 P +T B 20 -3.332 -8.031 -10.019 1.00 23.69 P

ATOM 389 O1P +T B 20 -4.753 -8.422 -9.661 1.00 23.28 O

ATOM 390 O2P +T B 20 -2.400 -8.994 -10.745 1.00 19.45 O

ATOM 391 O5* +T B 20 -3.543 -6.818 -11.004 1.00 23.33 O

ATOM 392 C5* +T B 20 -4.132 -5.558 -10.604 1.00 22.09 C

ATOM 393 C4* +T B 20 -3.652 -4.524 -11.586 1.00 16.24 C

ATOM 394 O4* +T B 20 -2.226 -4.394 -11.580 1.00 15.06 O

ATOM 395 C3* +T B 20 -4.004 -4.954 -13.001 1.00 16.12 C

ATOM 396 O3* +T B 20 -5.243 -4.277 -13.274 1.00 20.53 O

ATOM 397 C2* +T B 20 -2.795 -4.514 -13.843 1.00 17.04 C

ATOM 398 C1* +T B 20 -1.971 -3.797 -12.826 1.00 13.82 C

ATOM 399 N1 +T B 20 -0.543 -3.722 -13.000 1.00 13.47 N

ATOM 400 C2 +T B 20 -0.074 -2.478 -13.327 1.00 14.48 C

ATOM 401 O2 +T B 20 -0.821 -1.551 -13.630 1.00 16.66 O

ATOM 402 N3 +T B 20 1.313 -2.362 -13.338 1.00 15.63 N

ATOM 403 C4 +T B 20 2.234 -3.395 -13.060 1.00 13.68 C

ATOM 404 O4 +T B 20 3.462 -3.182 -13.045 1.00 16.38 O

ATOM 405 C5 +T B 20 1.640 -4.710 -12.812 1.00 13.31 C

ATOM 406 C5M +T B 20 2.527 -5.877 -12.565 1.00 15.83 C

ATOM 407 C6 +T B 20 0.301 -4.799 -12.777 1.00 11.13 C

ATOM 408 P C B 21 -5.966 -4.365 -14.711 1.00 25.67 P

ATOM 409 O1P C B 21 -7.420 -4.052 -14.542 1.00 23.19 O

ATOM 410 O2P C B 21 -5.594 -5.636 -15.328 1.00 30.82 O

ATOM 411 O5* C B 21 -5.261 -3.247 -15.602 1.00 28.07 O

ATOM 412 C5* C B 21 -5.311 -1.852 -15.286 1.00 22.47 C

ATOM 413 C4* C B 21 -4.459 -1.105 -16.278 1.00 22.03 C

ATOM 414 O4* C B 21 -3.075 -1.397 -16.065 1.00 20.80 O

ATOM 415 C3* C B 21 -4.741 -1.463 -17.736 1.00 21.63 C

ATOM 416 O3* C B 21 -5.370 -0.326 -18.288 1.00 27.16 O

ATOM 417 C2* C B 21 -3.375 -1.784 -18.340 1.00 20.43 C

ATOM 418 C1* C B 21 -2.387 -1.299 -17.291 1.00 21.40 C

ATOM 419 N1 C B 21 -1.146 -2.053 -17.102 1.00 20.03 N

ATOM 420 C2 C B 21 0.083 -1.389 -17.200 1.00 19.75 C

ATOM 421 O2 C B 21 0.104 -0.196 -17.534 1.00 20.69 O

ATOM 422 N3 C B 21 1.217 -2.062 -16.925 1.00 19.92 N

ATOM 423 C4 C B 21 1.165 -3.347 -16.571 1.00 14.90 C

ATOM 424 N4 C B 21 2.313 -3.945 -16.274 1.00 13.25 N

ATOM 425 C5 C B 21 -0.068 -4.060 -16.499 1.00 17.08 C

ATOM 426 C6 C B 21 -1.189 -3.381 -16.776 1.00 19.96 C

ATOM 427 P G B 22 -6.055 -0.391 -19.727 1.00 29.66 P

ATOM 428 O1P G B 22 -6.955 0.767 -19.689 1.00 30.20 O

ATOM 429 O2P G B 22 -6.609 -1.730 -20.043 1.00 29.99 O

ATOM 430 O5* G B 22 -4.825 -0.091 -20.696 1.00 27.36 O

ATOM 431 C5* G B 22 -4.139 1.185 -20.678 1.00 25.05 C

ATOM 432 C4* G B 22 -2.943 1.153 -21.604 1.00 21.43 C

ATOM 433 O4* G B 22 -1.848 0.412 -21.023 1.00 20.87 O

ATOM 434 C3* G B 22 -3.194 0.515 -22.972 1.00 20.92 C

ATOM 435 O3* G B 22 -2.396 1.212 -23.931 1.00 22.39 O

ATOM 436 C2* G B 22 -2.589 -0.865 -22.821 1.00 17.84 C

ATOM 437 C1* G B 22 -1.394 -0.518 -21.978 1.00 17.78 C

ATOM 438 N9 G B 22 -0.782 -1.633 -21.285 1.00 17.46 N

ATOM 439 C8 G B 22 -1.385 -2.781 -20.843 1.00 14.34 C

ATOM 440 N7 G B 22 -0.544 -3.604 -20.286 1.00 14.16 N

ATOM 441 C5 G B 22 0.679 -2.959 -20.371 1.00 14.29 C

ATOM 442 C6 G B 22 1.963 -3.370 -19.950 1.00 15.34 C

ATOM 443 O6 G B 22 2.283 -4.423 -19.395 1.00 15.26 O

ATOM 444 N1 G B 22 2.930 -2.406 -20.236 1.00 14.90 N

ATOM 445 C2 G B 22 2.680 -1.200 -20.844 1.00 12.61 C

ATOM 446 N2 G B 22 3.727 -0.391 -21.038 1.00 14.83 N

ATOM 447 N3 G B 22 1.484 -0.814 -21.236 1.00 16.75 N

ATOM 448 C4 G B 22 0.542 -1.737 -20.972 1.00 15.08 C

ATOM 449 P C B 23 -2.881 1.339 -25.458 1.00 27.15 P

ATOM 450 O1P C B 23 -3.993 2.317 -25.457 1.00 29.82 O

ATOM 451 O2P C B 23 -3.067 0.002 -26.131 1.00 28.69 O

ATOM 452 O5* C B 23 -1.610 2.012 -26.142 1.00 25.85 O

ATOM 453 C5* C B 23 -0.869 3.070 -25.485 1.00 24.33 C

ATOM 454 C4* C B 23 0.619 2.824 -25.603 1.00 22.39 C

ATOM 455 O4* C B 23 1.059 1.898 -24.594 1.00 20.52 O

ATOM 456 C3* C B 23 1.086 2.220 -26.922 1.00 24.48 C

ATOM 457 O3* C B 23 1.409 3.248 -27.856 1.00 25.82 O

ATOM 458 C2* C B 23 2.359 1.499 -26.535 1.00 23.77 C

ATOM 459 C1* C B 23 2.115 1.097 -25.100 1.00 21.50 C

ATOM 460 N1 C B 23 1.781 -0.318 -24.853 1.00 18.54 N

ATOM 461 C2 C B 23 2.805 -1.127 -24.443 1.00 14.10 C

ATOM 462 O2 C B 23 3.939 -0.637 -24.363 1.00 18.06 O

ATOM 463 N3 C B 23 2.559 -2.420 -24.143 1.00 14.01 N

ATOM 464 C4 C B 23 1.325 -2.910 -24.255 1.00 13.67 C

ATOM 465 N4 C B 23 1.140 -4.194 -23.934 1.00 13.03 N

ATOM 466 C5 C B 23 0.239 -2.104 -24.701 1.00 13.71 C

ATOM 467 C6 C B 23 0.510 -0.819 -24.993 1.00 16.26 C

ATOM 468 P G B 24 1.792 2.862 -29.373 1.00 26.39 P

ATOM 469 O1P G B 24 1.853 4.103 -30.172 1.00 28.83 O

ATOM 470 O2P G B 24 0.902 1.732 -29.807 1.00 28.07 O

ATOM 471 O5* G B 24 3.267 2.265 -29.300 1.00 21.63 O

ATOM 472 C5* G B 24 4.386 3.078 -28.928 1.00 18.73 C

ATOM 473 C4* G B 24 5.597 2.199 -28.726 1.00 17.14 C

ATOM 474 O4* G B 24 5.353 1.307 -27.616 1.00 18.22 O

ATOM 475 C3* G B 24 5.906 1.271 -29.895 1.00 17.68 C

ATOM 476 O3* G B 24 6.647 1.863 -30.938 1.00 17.24 O

ATOM 477 C2* G B 24 6.656 0.136 -29.231 1.00 17.17 C

ATOM 478 C1* G B 24 5.966 0.040 -27.875 1.00 19.72 C

ATOM 479 N9 G B 24 4.924 -0.990 -27.790 1.00 17.17 N

ATOM 480 C8 G B 24 3.626 -0.883 -28.203 1.00 14.57 C

ATOM 481 N7 G B 24 2.929 -1.956 -27.964 1.00 14.41 N

ATOM 482 C5 G B 24 3.826 -2.818 -27.366 1.00 16.09 C

ATOM 483 C6 G B 24 3.643 -4.127 -26.874 1.00 15.86 C

ATOM 484 O6 G B 24 2.622 -4.793 -26.871 1.00 17.05 O

ATOM 485 N1 G B 24 4.812 -4.649 -26.341 1.00 14.25 N

ATOM 486 C2 G B 24 6.010 -3.989 -26.288 1.00 14.85 C

ATOM 487 N2 G B 24 7.042 -4.650 -25.739 1.00 16.45 N

ATOM 488 N3 G B 24 6.192 -2.764 -26.741 1.00 15.61 N

ATOM 489 C4 G B 24 5.069 -2.247 -27.258 1.00 14.43 C

TER 490 G B 24

HETATM 491 F FLO B 19 0.690 -7.093 -10.187 1.00 16.65 F

HETATM 492 F FLO B 20 -1.945 -5.499 -14.285 1.00 20.87 F

HETATM 493 MG MO6 25 1.865 -8.688 -19.856 1.00 17.38 MG

HETATM 494 O1 MO6 25 1.796 -6.936 -18.673 1.00 16.87 O

HETATM 495 O2 MO6 25 3.943 -8.649 -20.026 1.00 15.55 O

HETATM 496 O3 MO6 25 1.719 -7.338 -21.539 1.00 16.77 O

HETATM 497 O4 MO6 25 1.780 -10.315 -21.162 1.00 18.17 O

HETATM 498 O5 MO6 25 2.020 -9.896 -18.129 1.00 20.12 O

HETATM 499 O6 MO6 25 -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 -6.085 10.595 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 12.900 8.920 5.114 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 9.967 8.109 4.603 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 2.473 13.704 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 15.557 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 2.860 -11.934 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 15.851 -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 12.859 10.096 2.116 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 -10.815 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 -6.097 6.086 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 3.048 -9.111 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 -11.307 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 1.277 -12.028 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 131 129 132 245

CONECT 151 149 152 246

CONECT 245 131

CONECT 246 151

CONECT 377 375 378 491

CONECT 397 395 398 492

CONECT 491 377

CONECT 492 397

CONECT 493 494 495 496 497

CONECT 493 498 499

CONECT 494 493

CONECT 495 493

CONECT 496 493

CONECT 497 493

CONECT 498 493

CONECT 499 493

MASTER 222 0 5 0 0 0 0 6 668 2 16 2

END