USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER DNA 21-NOV-00 1G8V TITLE MOLECULAR AND CRYSTAL STRUCTURE OF D(CGCGAATF5UCGCG):5- TITLE 2 FORMYLURIDINE/ ADENOSINE BASE-PAIRS IN B-DNA COMPND MOL_ID: 1; COMPND 2 MOLECULE: 5'-D(*CP*GP*CP*GP*AP*AP*TP*(UFR)P*CP*GP*CP*G)-3'; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES KEYWDS MODIFIED NUCLEOTIDE, FORMYLURIDINE, DNA DAMAGE,B-DNA, KEYWDS 2 DOUBLE HELIX, DEOXYRIBONUCLEIC ACID EXPDTA X-RAY DIFFRACTION AUTHOR M.TSUNODA,N.KARINO,Y.UENO,A.MATSUDA,A.TAKENAKA REVDAT 3 24-FEB-09 1G8V 1 VERSN REVDAT 2 01-APR-03 1G8V 1 JRNL REVDAT 1 05-FEB-01 1G8V 0 JRNL AUTH M.TSUNODA,N.KARINO,Y.UENO,A.MATSUDA,A.TAKENAKA JRNL TITL CRYSTALLIZATION AND PRELIMINARY X-RAY ANALYSIS OF JRNL TITL 2 A DNA DODECAMER CONTAINING JRNL TITL 3 2'-DEOXY-5-FORMYLURIDINE; WHAT IS THE ROLE OF JRNL TITL 4 MAGNESIUM CATION IN CRYSTALLIZATION OF JRNL TITL 5 DICKERSON-TYPE DNA DODECAMERS? JRNL REF ACTA CRYSTALLOGR.,SECT.D V. 57 345 2001 JRNL REFN ISSN 0907-4449 JRNL PMID 11173500 JRNL DOI 10.1107/S0907444900017583 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 1.80 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.0 REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU, REMARK 3 : READ,RICE,SIMONSON,WARREN REMARK 3 REMARK 3 REFINEMENT TARGET : NULL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.80 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 50.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 NUMBER OF REFLECTIONS : NULL REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING SET) : 0.208 REMARK 3 FREE R VALUE : 0.239 REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 FREE R VALUE TEST SET COUNT : 727 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) : 1.80 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.91 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL REMARK 3 BIN R VALUE (WORKING SET) : 0.2840 REMARK 3 BIN FREE R VALUE : 0.3490 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 BIN FREE R VALUE TEST SET COUNT : 101 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.035 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 0 REMARK 3 NUCLEIC ACID ATOMS : 484 REMARK 3 HETEROGEN ATOMS : 10 REMARK 3 SOLVENT ATOMS : 137 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) : 0.22 REMARK 3 ESD FROM SIGMAA (A) : 0.18 REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.26 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.25 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.004 REMARK 3 BOND ANGLES (DEGREES) : 0.90 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 20.30 REMARK 3 IMPROPER ANGLES (DEGREES) : 1.10 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 BULK SOLVENT MODELING. REMARK 3 METHOD USED : NULL REMARK 3 KSOL : NULL REMARK 3 BSOL : 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 1G8V COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 29-NOV-00. REMARK 100 THE RCSB ID CODE IS RCSB012378. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 23-JAN-00 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 6.0 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : PHOTON FACTORY REMARK 200 BEAMLINE : BL-6B REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.0 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : WEISSENBERG REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 6948 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.800 REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.3 REMARK 200 DATA REDUNDANCY : 6.580 REMARK 200 R MERGE (I) : 0.02800 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.80 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.86 REMARK 200 COMPLETENESS FOR SHELL (%) : 97.3 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : 0.24300 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: AMORE REMARK 200 STARTING MODEL: PDB ENTRY 355D REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 45.94 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.28 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: MPD, SPERMINE, SODIUM CHLORIDE, REMARK 280 POTASSIUM CHLORIDE, CACODYLATE, PH 6.0, VAPOR DIFFUSION, REMARK 280 SITTING DROP, TEMPERATURE 277K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 X+1/2,-Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 12.65000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 33.00000 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 20.85000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 33.00000 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 12.65000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 20.85000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH B 67 DISTANCE = 5.35 ANGSTROMS REMARK 525 HOH A 102 DISTANCE = 6.36 ANGSTROMS REMARK 525 HOH B 137 DISTANCE = 6.52 ANGSTROMS REMARK 525 HOH A 158 DISTANCE = 5.92 ANGSTROMS REMARK 525 HOH A 160 DISTANCE = 6.82 ANGSTROMS REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: BD0043 RELATED DB: NDB REMARK 900 BD0043 CONTAINS THE SAME DNA UNDER DIFFERENT REMARK 900 CRYSTALLIZATION CONDITIONS. REMARK 900 RELATED ID: BD0044 RELATED DB: NDB REMARK 900 BD0044 CONTAINS THE SAME DNA UNDER DIFFERENT REMARK 900 CRYSTALLIZATION CONDITIONS. REMARK 900 RELATED ID: BD0045 RELATED DB: NDB REMARK 900 BD0045 CONTAINS THE SAME DNA UNDER DIFFERENT REMARK 900 CRYSTALLIZATION CONDITIONS. DBREF 1G8V A 1 12 PDB 1G8V 1G8V 1 12 DBREF 1G8V B 13 24 PDB 1G8V 1G8V 13 24 SEQRES 1 A 12 DC DG DC DG DA DA DT UFR DC DG DC DG SEQRES 1 B 12 DC DG DC DG DA DA DT UFR DC DG DC DG MODRES 1G8V UFR A 8 DU MODRES 1G8V UFR B 20 DU HET UFR A 8 22 HET UFR B 20 21 HETNAM UFR 2'-DEOXY-5-FORMYLURIDINE 5'-(DIHYDROGEN PHOSPHATE) FORMUL 1 UFR 2(C10 H13 N2 O9 P) FORMUL 3 HOH *142(H2 O) LINK O3' DT A 7 P UFR A 8 1555 1555 1.61 LINK O3' UFR A 8 P DC A 9 1555 1555 1.61 LINK O3' DT B 19 P UFR B 20 1555 1555 1.60 LINK O3' UFR B 20 P DC B 21 1555 1555 1.60 CRYST1 25.300 41.700 66.000 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 0.039526 0.000000 0.000000 0.00000 SCALE2 0.000000 0.023981 0.000000 0.00000 SCALE3 0.000000 0.000000 0.015152 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 DC O5' : rot 180:sc= 0 USER MOD Single : A 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 12 DG O3' : rot -139:sc= 1.39 USER MOD Single : B 13 DC O5' : rot 180:sc= 0 USER MOD Single : B 19 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 24 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 6.080 14.217 9.501 1.00 43.87 O ATOM 2 C5' DC A 1 6.734 13.086 8.929 1.00 39.03 C ATOM 3 C4' DC A 1 5.915 11.829 9.100 1.00 38.84 C ATOM 4 O4' DC A 1 6.475 10.778 8.281 1.00 35.09 O ATOM 5 C3' DC A 1 5.862 11.265 10.520 1.00 39.44 C ATOM 6 O3' DC A 1 4.598 10.626 10.733 1.00 43.55 O ATOM 7 C2' DC A 1 6.966 10.226 10.503 1.00 37.41 C ATOM 8 C1' DC A 1 6.819 9.671 9.100 1.00 34.33 C ATOM 9 N1 DC A 1 8.033 9.055 8.545 1.00 31.71 N ATOM 10 C2 DC A 1 7.924 7.818 7.903 1.00 28.99 C ATOM 11 O2 DC A 1 6.809 7.289 7.811 1.00 27.32 O ATOM 12 N3 DC A 1 9.034 7.235 7.399 1.00 30.03 N ATOM 13 C4 DC A 1 10.217 7.844 7.514 1.00 31.51 C ATOM 14 N4 DC A 1 11.291 7.228 7.012 1.00 32.82 N ATOM 15 C5 DC A 1 10.354 9.110 8.155 1.00 32.01 C ATOM 16 C6 DC A 1 9.246 9.673 8.652 1.00 31.38 C ATOM 0 H5' DC A 1 7.602 12.967 9.346 1.00 39.03 H new ATOM 0 H5'' DC A 1 6.892 13.245 7.985 1.00 39.03 H new ATOM 0 H4' DC A 1 5.016 12.094 8.850 1.00 38.84 H new ATOM 0 H3' DC A 1 5.967 11.934 11.214 1.00 39.44 H new ATOM 0 H2' DC A 1 7.841 10.617 10.653 1.00 37.41 H new ATOM 0 H2'' DC A 1 6.840 9.545 11.182 1.00 37.41 H new ATOM 0 HO5' DC A 1 6.556 14.900 9.394 1.00 43.87 H new ATOM 0 H1' DC A 1 6.156 8.963 9.128 1.00 34.33 H new ATOM 0 H41 DC A 1 12.066 7.597 7.072 1.00 32.82 H new ATOM 0 H42 DC A 1 11.208 6.462 6.629 1.00 32.82 H new ATOM 0 H5 DC A 1 11.181 9.529 8.225 1.00 32.01 H new ATOM 0 H6 DC A 1 9.303 10.498 9.077 1.00 31.38 H new ATOM 17 P DG A 2 4.082 10.337 12.230 1.00 45.14 P ATOM 18 OP1 DG A 2 3.207 11.467 12.640 1.00 44.39 O ATOM 19 OP2 DG A 2 5.231 9.947 13.089 1.00 44.28 O ATOM 20 O5' DG A 2 3.158 9.052 12.058 1.00 44.16 O ATOM 21 C5' DG A 2 2.306 8.902 10.924 1.00 41.16 C ATOM 22 C4' DG A 2 2.091 7.434 10.647 1.00 37.54 C ATOM 23 O4' DG A 2 3.274 6.881 10.027 1.00 35.81 O ATOM 24 C3' DG A 2 1.853 6.635 11.927 1.00 36.39 C ATOM 25 O3' DG A 2 0.699 5.812 11.834 1.00 37.66 O ATOM 26 C2' DG A 2 3.105 5.800 12.107 1.00 34.53 C ATOM 27 C1' DG A 2 3.708 5.717 10.718 1.00 32.67 C ATOM 28 N9 DG A 2 5.166 5.743 10.744 1.00 26.67 N ATOM 29 C8 DG A 2 5.956 6.755 11.229 1.00 26.35 C ATOM 30 N7 DG A 2 7.233 6.512 11.108 1.00 22.76 N ATOM 31 C5 DG A 2 7.289 5.264 10.505 1.00 23.11 C ATOM 32 C6 DG A 2 8.404 4.490 10.110 1.00 21.75 C ATOM 33 O6 DG A 2 9.599 4.770 10.199 1.00 22.23 O ATOM 34 N1 DG A 2 8.015 3.280 9.552 1.00 21.02 N ATOM 35 C2 DG A 2 6.716 2.871 9.382 1.00 22.20 C ATOM 36 N2 DG A 2 6.545 1.660 8.839 1.00 20.41 N ATOM 37 N3 DG A 2 5.665 3.594 9.726 1.00 22.14 N ATOM 38 C4 DG A 2 6.023 4.771 10.282 1.00 23.48 C ATOM 0 H5' DG A 2 2.702 9.332 10.150 1.00 41.16 H new ATOM 0 H5'' DG A 2 1.455 9.338 11.087 1.00 41.16 H new ATOM 0 H4' DG A 2 1.312 7.369 10.073 1.00 37.54 H new ATOM 0 H3' DG A 2 1.690 7.220 12.683 1.00 36.39 H new ATOM 0 H2' DG A 2 3.718 6.214 12.734 1.00 34.53 H new ATOM 0 H2'' DG A 2 2.895 4.919 12.454 1.00 34.53 H new ATOM 0 H1' DG A 2 3.431 4.886 10.301 1.00 32.67 H new ATOM 0 H8 DG A 2 5.616 7.535 11.606 1.00 26.35 H new ATOM 0 H1 DG A 2 8.636 2.745 9.293 1.00 21.02 H new ATOM 0 H21 DG A 2 5.751 1.355 8.710 1.00 20.41 H new ATOM 0 H22 DG A 2 7.229 1.187 8.619 1.00 20.41 H new ATOM 39 P DC A 3 0.129 5.117 13.160 1.00 39.56 P ATOM 40 OP1 DC A 3 -1.340 4.975 12.975 1.00 40.17 O ATOM 41 OP2 DC A 3 0.660 5.839 14.339 1.00 39.76 O ATOM 42 O5' DC A 3 0.792 3.670 13.158 1.00 36.20 O ATOM 43 C5' DC A 3 0.520 2.741 12.114 1.00 32.49 C ATOM 44 C4' DC A 3 1.535 1.624 12.149 1.00 27.99 C ATOM 45 O4' DC A 3 2.843 2.172 11.903 1.00 24.06 O ATOM 46 C3' DC A 3 1.640 0.932 13.502 1.00 27.12 C ATOM 47 O3' DC A 3 0.800 -0.222 13.506 1.00 28.94 O ATOM 48 C2' DC A 3 3.110 0.555 13.613 1.00 27.83 C ATOM 49 C1' DC A 3 3.817 1.350 12.514 1.00 23.38 C ATOM 50 N1 DC A 3 4.911 2.225 12.973 1.00 21.22 N ATOM 51 C2 DC A 3 6.230 1.867 12.683 1.00 19.72 C ATOM 52 O2 DC A 3 6.442 0.806 12.078 1.00 18.03 O ATOM 53 N3 DC A 3 7.238 2.688 13.067 1.00 17.99 N ATOM 54 C4 DC A 3 6.962 3.824 13.713 1.00 19.97 C ATOM 55 N4 DC A 3 7.978 4.624 14.042 1.00 18.50 N ATOM 56 C5 DC A 3 5.628 4.198 14.042 1.00 21.87 C ATOM 57 C6 DC A 3 4.644 3.376 13.659 1.00 21.50 C ATOM 0 H5' DC A 3 0.549 3.189 11.254 1.00 32.49 H new ATOM 0 H5'' DC A 3 -0.375 2.380 12.215 1.00 32.49 H new ATOM 0 H4' DC A 3 1.242 0.984 11.482 1.00 27.99 H new ATOM 0 H3' DC A 3 1.357 1.484 14.247 1.00 27.12 H new ATOM 0 H2' DC A 3 3.463 0.778 14.488 1.00 27.83 H new ATOM 0 H2'' DC A 3 3.237 -0.399 13.491 1.00 27.83 H new ATOM 0 H1' DC A 3 4.223 0.699 11.921 1.00 23.38 H new ATOM 0 H41 DC A 3 7.827 5.361 14.458 1.00 18.50 H new ATOM 0 H42 DC A 3 8.783 4.402 13.838 1.00 18.50 H new ATOM 0 H5 DC A 3 5.447 4.984 14.506 1.00 21.87 H new ATOM 0 H6 DC A 3 3.763 3.592 13.863 1.00 21.50 H new ATOM 58 P DG A 4 0.610 -1.065 14.857 1.00 30.45 P ATOM 59 OP1 DG A 4 -0.671 -1.801 14.731 1.00 32.70 O ATOM 60 OP2 DG A 4 0.838 -0.186 16.030 1.00 30.96 O ATOM 61 O5' DG A 4 1.794 -2.124 14.799 1.00 29.34 O ATOM 62 C5' DG A 4 1.959 -2.967 13.666 1.00 29.47 C ATOM 63 C4' DG A 4 3.149 -3.874 13.869 1.00 30.33 C ATOM 64 O4' DG A 4 4.358 -3.080 13.905 1.00 29.28 O ATOM 65 C3' DG A 4 3.123 -4.658 15.178 1.00 30.56 C ATOM 66 O3' DG A 4 3.668 -5.965 14.979 1.00 32.44 O ATOM 67 C2' DG A 4 3.982 -3.822 16.110 1.00 28.43 C ATOM 68 C1' DG A 4 5.001 -3.201 15.167 1.00 26.58 C ATOM 69 N9 DG A 4 5.449 -1.868 15.562 1.00 23.15 N ATOM 70 C8 DG A 4 4.691 -0.875 16.131 1.00 22.16 C ATOM 71 N7 DG A 4 5.365 0.222 16.348 1.00 22.08 N ATOM 72 C5 DG A 4 6.649 -0.066 15.902 1.00 21.69 C ATOM 73 C6 DG A 4 7.819 0.742 15.882 1.00 22.62 C ATOM 74 O6 DG A 4 7.953 1.920 16.249 1.00 21.33 O ATOM 75 N1 DG A 4 8.908 0.047 15.364 1.00 20.38 N ATOM 76 C2 DG A 4 8.874 -1.252 14.911 1.00 21.91 C ATOM 77 N2 DG A 4 10.031 -1.756 14.453 1.00 20.68 N ATOM 78 N3 DG A 4 7.786 -2.005 14.908 1.00 22.10 N ATOM 79 C4 DG A 4 6.719 -1.354 15.419 1.00 24.04 C ATOM 0 H5' DG A 4 2.084 -2.429 12.868 1.00 29.47 H new ATOM 0 H5'' DG A 4 1.158 -3.497 13.528 1.00 29.47 H new ATOM 0 H4' DG A 4 3.119 -4.502 13.130 1.00 30.33 H new ATOM 0 H3' DG A 4 2.231 -4.797 15.533 1.00 30.56 H new ATOM 0 H2' DG A 4 3.460 -3.147 16.571 1.00 28.43 H new ATOM 0 H2'' DG A 4 4.407 -4.366 16.791 1.00 28.43 H new ATOM 0 H1' DG A 4 5.787 -3.769 15.164 1.00 26.58 H new ATOM 0 H8 DG A 4 3.790 -0.973 16.340 1.00 22.16 H new ATOM 0 H1 DG A 4 9.660 0.461 15.324 1.00 20.38 H new ATOM 0 H21 DG A 4 10.062 -2.564 14.159 1.00 20.68 H new ATOM 0 H22 DG A 4 10.741 -1.271 14.454 1.00 20.68 H new ATOM 80 P DA A 5 3.831 -6.961 16.229 1.00 33.78 P ATOM 81 OP1 DA A 5 3.588 -8.335 15.728 1.00 34.81 O ATOM 82 OP2 DA A 5 3.035 -6.441 17.368 1.00 33.97 O ATOM 83 O5' DA A 5 5.380 -6.861 16.585 1.00 31.74 O ATOM 84 C5' DA A 5 6.357 -7.165 15.592 1.00 31.26 C ATOM 85 C4' DA A 5 7.742 -6.821 16.086 1.00 31.07 C ATOM 86 O4' DA A 5 7.849 -5.399 16.316 1.00 27.40 O ATOM 87 C3' DA A 5 8.171 -7.507 17.383 1.00 31.27 C ATOM 88 O3' DA A 5 9.393 -8.210 17.144 1.00 33.43 O ATOM 89 C2' DA A 5 8.336 -6.367 18.377 1.00 29.05 C ATOM 90 C1' DA A 5 8.601 -5.167 17.488 1.00 27.34 C ATOM 91 N9 DA A 5 8.168 -3.880 18.036 1.00 24.30 N ATOM 92 C8 DA A 5 6.918 -3.548 18.500 1.00 23.17 C ATOM 93 N7 DA A 5 6.810 -2.297 18.880 1.00 21.00 N ATOM 94 C5 DA A 5 8.077 -1.770 18.666 1.00 22.07 C ATOM 95 C6 DA A 5 8.613 -0.482 18.864 1.00 21.49 C ATOM 96 N6 DA A 5 7.905 0.548 19.332 1.00 22.65 N ATOM 97 N1 DA A 5 9.915 -0.288 18.555 1.00 21.19 N ATOM 98 C2 DA A 5 10.622 -1.326 18.076 1.00 20.43 C ATOM 99 N3 DA A 5 10.228 -2.580 17.841 1.00 21.66 N ATOM 100 C4 DA A 5 8.929 -2.737 18.159 1.00 23.00 C ATOM 0 H5' DA A 5 6.165 -6.670 14.780 1.00 31.26 H new ATOM 0 H5'' DA A 5 6.314 -8.107 15.366 1.00 31.26 H new ATOM 0 H4' DA A 5 8.325 -7.140 15.380 1.00 31.07 H new ATOM 0 H3' DA A 5 7.539 -8.162 17.719 1.00 31.27 H new ATOM 0 H2' DA A 5 7.539 -6.244 18.917 1.00 29.05 H new ATOM 0 H2'' DA A 5 9.071 -6.529 18.989 1.00 29.05 H new ATOM 0 H1' DA A 5 9.560 -5.094 17.364 1.00 27.34 H new ATOM 0 H8 DA A 5 6.214 -4.154 18.541 1.00 23.17 H new ATOM 0 H61 DA A 5 8.279 1.315 19.435 1.00 22.65 H new ATOM 0 H62 DA A 5 7.075 0.444 19.530 1.00 22.65 H new ATOM 0 H2 DA A 5 11.513 -1.145 17.880 1.00 20.43 H new ATOM 101 P DA A 6 10.125 -8.981 18.346 1.00 33.63 P ATOM 102 OP1 DA A 6 10.761 -10.189 17.771 1.00 34.23 O ATOM 103 OP2 DA A 6 9.191 -9.106 19.493 1.00 33.71 O ATOM 104 O5' DA A 6 11.292 -7.983 18.747 1.00 31.20 O ATOM 105 C5' DA A 6 12.187 -7.498 17.758 1.00 29.67 C ATOM 106 C4' DA A 6 13.153 -6.521 18.377 1.00 26.30 C ATOM 107 O4' DA A 6 12.450 -5.320 18.765 1.00 23.62 O ATOM 108 C3' DA A 6 13.846 -7.043 19.633 1.00 24.37 C ATOM 109 O3' DA A 6 15.248 -6.843 19.493 1.00 25.79 O ATOM 110 C2' DA A 6 13.258 -6.211 20.764 1.00 23.17 C ATOM 111 C1' DA A 6 12.834 -4.931 20.066 1.00 22.58 C ATOM 112 N9 DA A 6 11.687 -4.248 20.663 1.00 20.64 N ATOM 113 C8 DA A 6 10.454 -4.774 20.948 1.00 21.10 C ATOM 114 N7 DA A 6 9.604 -3.898 21.424 1.00 20.75 N ATOM 115 C5 DA A 6 10.333 -2.716 21.466 1.00 19.31 C ATOM 116 C6 DA A 6 9.996 -1.410 21.856 1.00 18.38 C ATOM 117 N6 DA A 6 8.774 -1.046 22.261 1.00 17.64 N ATOM 118 N1 DA A 6 10.962 -0.470 21.798 1.00 17.91 N ATOM 119 C2 DA A 6 12.173 -0.823 21.354 1.00 20.62 C ATOM 120 N3 DA A 6 12.603 -2.007 20.936 1.00 18.18 N ATOM 121 C4 DA A 6 11.622 -2.922 21.019 1.00 20.01 C ATOM 0 H5' DA A 6 11.691 -7.067 17.045 1.00 29.67 H new ATOM 0 H5'' DA A 6 12.673 -8.237 17.359 1.00 29.67 H new ATOM 0 H4' DA A 6 13.826 -6.362 17.697 1.00 26.30 H new ATOM 0 H3' DA A 6 13.713 -7.990 19.797 1.00 24.37 H new ATOM 0 H2' DA A 6 12.506 -6.657 21.184 1.00 23.17 H new ATOM 0 H2'' DA A 6 13.911 -6.040 21.461 1.00 23.17 H new ATOM 0 H1' DA A 6 13.576 -4.309 20.118 1.00 22.58 H new ATOM 0 H8 DA A 6 10.241 -5.669 20.816 1.00 21.10 H new ATOM 0 H61 DA A 6 8.622 -0.231 22.489 1.00 17.64 H new ATOM 0 H62 DA A 6 8.141 -1.627 22.293 1.00 17.64 H new ATOM 0 H2 DA A 6 12.805 -0.141 21.335 1.00 20.62 H new ATOM 122 P DT A 7 16.249 -7.376 20.626 1.00 26.24 P ATOM 123 OP1 DT A 7 17.520 -7.721 19.938 1.00 26.84 O ATOM 124 OP2 DT A 7 15.572 -8.386 21.470 1.00 26.72 O ATOM 125 O5' DT A 7 16.505 -6.076 21.509 1.00 24.35 O ATOM 126 C5' DT A 7 16.902 -4.851 20.900 1.00 24.33 C ATOM 127 C4' DT A 7 16.784 -3.714 21.888 1.00 24.03 C ATOM 128 O4' DT A 7 15.399 -3.419 22.165 1.00 23.42 O ATOM 129 C3' DT A 7 17.449 -3.952 23.248 1.00 24.75 C ATOM 130 O3' DT A 7 18.582 -3.088 23.385 1.00 27.29 O ATOM 131 C2' DT A 7 16.365 -3.622 24.269 1.00 24.70 C ATOM 132 C1' DT A 7 15.336 -2.852 23.457 1.00 23.03 C ATOM 133 N1 DT A 7 13.942 -2.967 23.927 1.00 20.78 N ATOM 134 C2 DT A 7 13.292 -1.823 24.334 1.00 20.01 C ATOM 135 O2 DT A 7 13.835 -0.727 24.383 1.00 19.00 O ATOM 136 N3 DT A 7 11.975 -2.008 24.692 1.00 17.05 N ATOM 137 C4 DT A 7 11.271 -3.202 24.701 1.00 20.67 C ATOM 138 O4 DT A 7 10.077 -3.214 25.014 1.00 17.97 O ATOM 139 C5 DT A 7 12.034 -4.369 24.310 1.00 19.69 C ATOM 140 C7 DT A 7 11.375 -5.711 24.347 1.00 17.93 C ATOM 141 C6 DT A 7 13.310 -4.193 23.939 1.00 21.10 C ATOM 0 H5' DT A 7 16.347 -4.673 20.124 1.00 24.33 H new ATOM 0 H5'' DT A 7 17.817 -4.921 20.585 1.00 24.33 H new ATOM 0 H4' DT A 7 17.248 -2.985 21.447 1.00 24.03 H new ATOM 0 H3' DT A 7 17.777 -4.858 23.362 1.00 24.75 H new ATOM 0 H2' DT A 7 15.985 -4.425 24.658 1.00 24.70 H new ATOM 0 H2'' DT A 7 16.714 -3.089 25.001 1.00 24.70 H new ATOM 0 H1' DT A 7 15.550 -1.908 23.517 1.00 23.03 H new ATOM 0 H3 DT A 7 11.542 -1.306 24.937 1.00 17.05 H new ATOM 0 H71 DT A 7 11.765 -6.282 23.667 1.00 17.93 H new ATOM 0 H72 DT A 7 11.506 -6.112 25.220 1.00 17.93 H new ATOM 0 H73 DT A 7 10.425 -5.610 24.178 1.00 17.93 H new ATOM 0 H6 DT A 7 13.797 -4.940 23.675 1.00 21.10 H new HETATM 142 P UFR A 8 19.507 -3.184 24.695 1.00 28.61 P HETATM 143 O1P UFR A 8 20.882 -2.827 24.276 1.00 28.89 O HETATM 144 O2P UFR A 8 19.262 -4.472 25.398 1.00 27.32 O HETATM 145 O5' UFR A 8 18.956 -2.020 25.632 1.00 27.57 O HETATM 146 C5' UFR A 8 18.812 -0.692 25.134 1.00 25.43 C HETATM 147 C4' UFR A 8 17.973 0.134 26.079 1.00 23.85 C HETATM 148 O4' UFR A 8 16.613 -0.343 26.098 1.00 21.45 O HETATM 149 C3' UFR A 8 18.437 0.178 27.538 1.00 22.95 C HETATM 150 O3' UFR A 8 18.910 1.498 27.812 1.00 25.62 O HETATM 151 C2' UFR A 8 17.195 -0.170 28.351 1.00 21.29 C HETATM 152 C1' UFR A 8 16.051 -0.038 27.356 1.00 20.82 C HETATM 153 N1 UFR A 8 14.929 -0.965 27.575 1.00 20.04 N HETATM 154 C2 UFR A 8 13.719 -0.429 27.972 1.00 19.15 C HETATM 155 O2 UFR A 8 13.564 0.763 28.197 1.00 17.29 O HETATM 156 N3 UFR A 8 12.700 -1.337 28.102 1.00 16.97 N HETATM 157 C4 UFR A 8 12.769 -2.703 27.888 1.00 20.26 C HETATM 158 O4 UFR A 8 11.749 -3.381 27.997 1.00 19.56 O HETATM 159 C5 UFR A 8 14.068 -3.189 27.509 1.00 21.72 C HETATM 160 C6 UFR A 8 15.075 -2.320 27.371 1.00 20.41 C HETATM 161 C7 UFR A 8 14.260 -4.663 27.328 1.00 25.12 C HETATM 162 O5 AUFR A 8 13.319 -5.451 27.460 0.50 24.19 O HETATM 163 O5 BUFR A 8 15.369 -5.123 27.042 0.50 24.96 O HETATM 0 H5'2 UFR A 8 19.685 -0.284 25.026 1.00 25.43 H new HETATM 0 H5'1 UFR A 8 18.398 -0.712 24.257 1.00 25.43 H new HETATM 0 H2'2 UFR A 8 17.248 -1.068 28.713 1.00 21.29 H new HETATM 0 H2'1 UFR A 8 17.083 0.433 29.103 1.00 21.29 H new HETATM 0 HN3 UFR A 8 11.936 -1.024 28.342 1.00 16.97 H new HETATM 0 H7 AUFR A 8 15.139 -5.005 27.103 0.50 25.12 H new HETATM 0 H7 BUFR A 8 13.505 -5.262 27.437 0.50 25.12 H new HETATM 0 H6 UFR A 8 15.947 -2.659 27.116 1.00 20.41 H new HETATM 0 H4' UFR A 8 18.063 1.031 25.720 1.00 23.85 H new HETATM 0 H3' UFR A 8 19.159 -0.435 27.747 1.00 22.95 H new HETATM 0 H1' UFR A 8 15.680 0.854 27.441 1.00 20.82 H new ATOM 164 P DC A 9 19.287 1.932 29.312 1.00 26.35 P ATOM 165 OP1 DC A 9 20.251 3.051 29.195 1.00 27.28 O ATOM 166 OP2 DC A 9 19.629 0.743 30.130 1.00 26.97 O ATOM 167 O5' DC A 9 17.933 2.558 29.860 1.00 25.06 O ATOM 168 C5' DC A 9 17.270 3.576 29.120 1.00 21.45 C ATOM 169 C4' DC A 9 16.043 4.042 29.864 1.00 21.75 C ATOM 170 O4' DC A 9 15.062 2.979 29.926 1.00 20.69 O ATOM 171 C3' DC A 9 16.287 4.482 31.306 1.00 21.58 C ATOM 172 O3' DC A 9 15.550 5.685 31.520 1.00 24.28 O ATOM 173 C2' DC A 9 15.747 3.325 32.137 1.00 20.33 C ATOM 174 C1' DC A 9 14.623 2.794 31.263 1.00 18.64 C ATOM 175 N1 DC A 9 14.283 1.364 31.411 1.00 18.06 N ATOM 176 C2 DC A 9 12.966 1.013 31.721 1.00 17.87 C ATOM 177 O2 DC A 9 12.153 1.913 31.990 1.00 16.77 O ATOM 178 N3 DC A 9 12.610 -0.296 31.729 1.00 18.61 N ATOM 179 C4 DC A 9 13.521 -1.236 31.472 1.00 16.59 C ATOM 180 N4 DC A 9 13.113 -2.515 31.444 1.00 16.96 N ATOM 181 C5 DC A 9 14.887 -0.910 31.221 1.00 19.12 C ATOM 182 C6 DC A 9 15.223 0.391 31.202 1.00 19.42 C ATOM 0 H5' DC A 9 17.018 3.239 28.246 1.00 21.45 H new ATOM 0 H5'' DC A 9 17.871 4.323 28.973 1.00 21.45 H new ATOM 0 H4' DC A 9 15.741 4.813 29.359 1.00 21.75 H new ATOM 0 H3' DC A 9 17.213 4.666 31.529 1.00 21.58 H new ATOM 0 H2' DC A 9 16.425 2.652 32.303 1.00 20.33 H new ATOM 0 H2'' DC A 9 15.423 3.621 33.002 1.00 20.33 H new ATOM 0 H1' DC A 9 13.821 3.272 31.524 1.00 18.64 H new ATOM 0 H41 DC A 9 13.678 -3.143 31.281 1.00 16.96 H new ATOM 0 H42 DC A 9 12.287 -2.706 31.589 1.00 16.96 H new ATOM 0 H5 DC A 9 15.522 -1.574 31.076 1.00 19.12 H new ATOM 0 H6 DC A 9 16.107 0.634 31.045 1.00 19.42 H new ATOM 183 P DG A 10 15.966 6.688 32.700 1.00 25.79 P ATOM 184 OP1 DG A 10 15.548 8.038 32.257 1.00 26.80 O ATOM 185 OP2 DG A 10 17.366 6.438 33.122 1.00 23.67 O ATOM 186 O5' DG A 10 15.031 6.256 33.911 1.00 25.58 O ATOM 187 C5' DG A 10 13.620 6.426 33.838 1.00 24.01 C ATOM 188 C4' DG A 10 12.951 5.606 34.913 1.00 24.18 C ATOM 189 O4' DG A 10 13.027 4.193 34.593 1.00 21.90 O ATOM 190 C3' DG A 10 13.581 5.749 36.305 1.00 23.09 C ATOM 191 O3' DG A 10 12.537 5.715 37.275 1.00 26.95 O ATOM 192 C2' DG A 10 14.373 4.459 36.444 1.00 23.18 C ATOM 193 C1' DG A 10 13.380 3.530 35.790 1.00 21.11 C ATOM 194 N9 DG A 10 13.790 2.169 35.467 1.00 21.40 N ATOM 195 C8 DG A 10 15.053 1.682 35.221 1.00 21.21 C ATOM 196 N7 DG A 10 15.065 0.400 34.970 1.00 21.39 N ATOM 197 C5 DG A 10 13.728 0.024 35.058 1.00 20.74 C ATOM 198 C6 DG A 10 13.113 -1.240 34.881 1.00 19.69 C ATOM 199 O6 DG A 10 13.646 -2.318 34.596 1.00 17.28 O ATOM 200 N1 DG A 10 11.731 -1.170 35.064 1.00 17.79 N ATOM 201 C2 DG A 10 11.034 -0.027 35.378 1.00 17.76 C ATOM 202 N2 DG A 10 9.707 -0.153 35.547 1.00 15.87 N ATOM 203 N3 DG A 10 11.599 1.158 35.528 1.00 17.72 N ATOM 204 C4 DG A 10 12.935 1.107 35.360 1.00 19.15 C ATOM 0 H5' DG A 10 13.298 6.154 32.964 1.00 24.01 H new ATOM 0 H5'' DG A 10 13.393 7.363 33.945 1.00 24.01 H new ATOM 0 H4' DG A 10 12.042 5.944 34.939 1.00 24.18 H new ATOM 0 H3' DG A 10 14.103 6.559 36.418 1.00 23.09 H new ATOM 0 H2' DG A 10 15.226 4.487 35.982 1.00 23.18 H new ATOM 0 H2'' DG A 10 14.558 4.226 37.367 1.00 23.18 H new ATOM 0 H1' DG A 10 12.676 3.376 36.439 1.00 21.11 H new ATOM 0 H8 DG A 10 15.818 2.210 35.232 1.00 21.21 H new ATOM 0 H1 DG A 10 11.281 -1.897 34.973 1.00 17.79 H new ATOM 0 H21 DG A 10 9.231 0.536 35.744 1.00 15.87 H new ATOM 0 H22 DG A 10 9.333 -0.922 35.458 1.00 15.87 H new ATOM 205 P DC A 11 12.019 7.073 37.952 1.00 27.54 P ATOM 206 OP1 DC A 11 12.025 8.129 36.911 1.00 30.41 O ATOM 207 OP2 DC A 11 12.763 7.281 39.218 1.00 28.67 O ATOM 208 O5' DC A 11 10.504 6.754 38.310 1.00 27.59 O ATOM 209 C5' DC A 11 9.512 6.719 37.292 1.00 26.58 C ATOM 210 C4' DC A 11 8.431 5.725 37.649 1.00 24.95 C ATOM 211 O4' DC A 11 8.905 4.365 37.511 1.00 25.73 O ATOM 212 C3' DC A 11 7.887 5.836 39.069 1.00 24.90 C ATOM 213 O3' DC A 11 6.482 5.586 39.040 1.00 28.15 O ATOM 214 C2' DC A 11 8.630 4.737 39.815 1.00 23.02 C ATOM 215 C1' DC A 11 8.781 3.668 38.744 1.00 21.67 C ATOM 216 N1 DC A 11 9.963 2.799 38.868 1.00 20.83 N ATOM 217 C2 DC A 11 9.803 1.425 38.682 1.00 19.56 C ATOM 218 O2 DC A 11 8.658 0.972 38.512 1.00 21.56 O ATOM 219 N3 DC A 11 10.894 0.627 38.691 1.00 19.42 N ATOM 220 C4 DC A 11 12.104 1.153 38.890 1.00 19.48 C ATOM 221 N4 DC A 11 13.159 0.338 38.834 1.00 18.28 N ATOM 222 C5 DC A 11 12.289 2.544 39.138 1.00 19.53 C ATOM 223 C6 DC A 11 11.201 3.322 39.122 1.00 21.58 C ATOM 0 H5' DC A 11 9.917 6.476 36.445 1.00 26.58 H new ATOM 0 H5'' DC A 11 9.125 7.601 37.178 1.00 26.58 H new ATOM 0 H4' DC A 11 7.719 5.942 37.027 1.00 24.95 H new ATOM 0 H3' DC A 11 8.012 6.705 39.482 1.00 24.90 H new ATOM 0 H2' DC A 11 9.489 5.041 40.147 1.00 23.02 H new ATOM 0 H2'' DC A 11 8.128 4.415 40.580 1.00 23.02 H new ATOM 0 H1' DC A 11 8.012 3.082 38.821 1.00 21.67 H new ATOM 0 H41 DC A 11 13.951 0.650 38.958 1.00 18.28 H new ATOM 0 H42 DC A 11 13.047 -0.499 38.673 1.00 18.28 H new ATOM 0 H5 DC A 11 13.133 2.897 39.304 1.00 19.53 H new ATOM 0 H6 DC A 11 11.288 4.233 39.286 1.00 21.58 H new ATOM 224 P DG A 12 5.550 6.139 40.219 1.00 29.72 P ATOM 225 OP1 DG A 12 4.172 6.240 39.674 1.00 31.46 O ATOM 226 OP2 DG A 12 6.185 7.324 40.833 1.00 30.23 O ATOM 227 O5' DG A 12 5.575 4.960 41.284 1.00 28.38 O ATOM 228 C5' DG A 12 4.837 3.760 41.068 1.00 25.66 C ATOM 229 C4' DG A 12 5.318 2.689 42.016 1.00 24.73 C ATOM 230 O4' DG A 12 6.659 2.307 41.678 1.00 23.86 O ATOM 231 C3' DG A 12 5.416 3.136 43.471 1.00 25.01 C ATOM 232 O3' DG A 12 4.157 3.068 44.144 1.00 24.56 O ATOM 233 C2' DG A 12 6.568 2.308 44.032 1.00 23.74 C ATOM 234 C1' DG A 12 7.177 1.625 42.807 1.00 23.11 C ATOM 235 N9 DG A 12 8.633 1.659 42.711 1.00 20.94 N ATOM 236 C8 DG A 12 9.460 2.740 42.899 1.00 21.56 C ATOM 237 N7 DG A 12 10.721 2.460 42.703 1.00 19.19 N ATOM 238 C5 DG A 12 10.727 1.111 42.374 1.00 19.57 C ATOM 239 C6 DG A 12 11.804 0.250 42.056 1.00 20.70 C ATOM 240 O6 DG A 12 13.014 0.515 41.999 1.00 23.00 O ATOM 241 N1 DG A 12 11.363 -1.043 41.789 1.00 20.26 N ATOM 242 C2 DG A 12 10.053 -1.456 41.827 1.00 21.27 C ATOM 243 N2 DG A 12 9.828 -2.751 41.552 1.00 21.00 N ATOM 244 N3 DG A 12 9.038 -0.659 42.118 1.00 21.22 N ATOM 245 C4 DG A 12 9.446 0.601 42.382 1.00 19.35 C ATOM 0 H5' DG A 12 4.945 3.464 40.151 1.00 25.66 H new ATOM 0 H5'' DG A 12 3.891 3.923 41.204 1.00 25.66 H new ATOM 0 H4' DG A 12 4.663 1.979 41.929 1.00 24.73 H new ATOM 0 H3' DG A 12 5.618 4.077 43.594 1.00 25.01 H new ATOM 0 H2' DG A 12 7.218 2.868 44.485 1.00 23.74 H new ATOM 0 H2'' DG A 12 6.254 1.658 44.680 1.00 23.74 H new ATOM 0 HO3' DG A 12 4.063 3.746 44.631 1.00 24.56 H new ATOM 0 H1' DG A 12 6.946 0.685 42.868 1.00 23.11 H new ATOM 0 H8 DG A 12 9.154 3.584 43.141 1.00 21.56 H new ATOM 0 H1 DG A 12 11.957 -1.630 41.584 1.00 20.26 H new ATOM 0 H21 DG A 12 9.025 -3.060 41.563 1.00 21.00 H new ATOM 0 H22 DG A 12 10.487 -3.272 41.365 1.00 21.00 H new TER 246 DG A 12 ATOM 247 O5' DC B 13 16.545 -8.065 41.924 1.00 44.42 O ATOM 248 C5' DC B 13 15.578 -8.908 42.561 1.00 42.93 C ATOM 249 C4' DC B 13 14.182 -8.620 42.058 1.00 41.57 C ATOM 250 O4' DC B 13 13.857 -7.233 42.316 1.00 39.16 O ATOM 251 C3' DC B 13 13.985 -8.816 40.555 1.00 41.35 C ATOM 252 O3' DC B 13 12.638 -9.212 40.301 1.00 44.24 O ATOM 253 C2' DC B 13 14.191 -7.419 40.006 1.00 39.88 C ATOM 254 C1' DC B 13 13.538 -6.586 41.093 1.00 36.30 C ATOM 255 N1 DC B 13 14.013 -5.198 41.178 1.00 31.74 N ATOM 256 C2 DC B 13 13.067 -4.176 41.238 1.00 30.55 C ATOM 257 O2 DC B 13 11.864 -4.479 41.233 1.00 26.71 O ATOM 258 N3 DC B 13 13.484 -2.890 41.303 1.00 27.85 N ATOM 259 C4 DC B 13 14.789 -2.614 41.317 1.00 29.47 C ATOM 260 N4 DC B 13 15.159 -1.335 41.387 1.00 29.01 N ATOM 261 C5 DC B 13 15.776 -3.640 41.262 1.00 31.62 C ATOM 262 C6 DC B 13 15.348 -4.907 41.196 1.00 31.74 C ATOM 0 H5' DC B 13 15.612 -8.775 43.521 1.00 42.93 H new ATOM 0 H5'' DC B 13 15.798 -9.838 42.396 1.00 42.93 H new ATOM 0 H4' DC B 13 13.617 -9.254 42.526 1.00 41.57 H new ATOM 0 H3' DC B 13 14.573 -9.485 40.171 1.00 41.35 H new ATOM 0 H2' DC B 13 15.130 -7.204 39.892 1.00 39.88 H new ATOM 0 H2'' DC B 13 13.765 -7.297 39.143 1.00 39.88 H new ATOM 0 HO5' DC B 13 17.311 -8.243 42.221 1.00 44.42 H new ATOM 0 H1' DC B 13 12.590 -6.528 40.897 1.00 36.30 H new ATOM 0 H41 DC B 13 15.994 -1.129 41.398 1.00 29.01 H new ATOM 0 H42 DC B 13 14.563 -0.716 41.422 1.00 29.01 H new ATOM 0 H5 DC B 13 16.684 -3.437 41.272 1.00 31.62 H new ATOM 0 H6 DC B 13 15.968 -5.599 41.162 1.00 31.74 H new ATOM 263 P DG B 14 12.338 -10.429 39.295 1.00 45.50 P ATOM 264 OP1 DG B 14 12.467 -11.683 40.075 1.00 44.56 O ATOM 265 OP2 DG B 14 13.135 -10.244 38.051 1.00 44.55 O ATOM 266 O5' DG B 14 10.802 -10.235 38.933 1.00 42.26 O ATOM 267 C5' DG B 14 9.827 -10.080 39.960 1.00 37.23 C ATOM 268 C4' DG B 14 8.764 -9.104 39.516 1.00 31.13 C ATOM 269 O4' DG B 14 9.285 -7.757 39.540 1.00 29.47 O ATOM 270 C3' DG B 14 8.256 -9.346 38.096 1.00 29.35 C ATOM 271 O3' DG B 14 6.831 -9.358 38.087 1.00 29.95 O ATOM 272 C2' DG B 14 8.832 -8.194 37.288 1.00 27.50 C ATOM 273 C1' DG B 14 8.993 -7.096 38.321 1.00 27.10 C ATOM 274 N9 DG B 14 10.089 -6.167 38.059 1.00 25.67 N ATOM 275 C8 DG B 14 11.378 -6.489 37.708 1.00 26.42 C ATOM 276 N7 DG B 14 12.153 -5.446 37.587 1.00 22.95 N ATOM 277 C5 DG B 14 11.326 -4.366 37.866 1.00 23.47 C ATOM 278 C6 DG B 14 11.614 -2.978 37.912 1.00 21.85 C ATOM 279 O6 DG B 14 12.703 -2.409 37.732 1.00 21.13 O ATOM 280 N1 DG B 14 10.482 -2.232 38.219 1.00 20.14 N ATOM 281 C2 DG B 14 9.233 -2.756 38.464 1.00 20.18 C ATOM 282 N2 DG B 14 8.259 -1.874 38.717 1.00 17.60 N ATOM 283 N3 DG B 14 8.960 -4.052 38.453 1.00 21.16 N ATOM 284 C4 DG B 14 10.044 -4.793 38.145 1.00 23.57 C ATOM 0 H5' DG B 14 10.250 -9.762 40.773 1.00 37.23 H new ATOM 0 H5'' DG B 14 9.424 -10.938 40.166 1.00 37.23 H new ATOM 0 H4' DG B 14 8.030 -9.232 40.137 1.00 31.13 H new ATOM 0 H3' DG B 14 8.528 -10.201 37.727 1.00 29.35 H new ATOM 0 H2' DG B 14 9.680 -8.430 36.881 1.00 27.50 H new ATOM 0 H2'' DG B 14 8.237 -7.927 36.570 1.00 27.50 H new ATOM 0 H1' DG B 14 8.181 -6.566 38.322 1.00 27.10 H new ATOM 0 H8 DG B 14 11.669 -7.362 37.571 1.00 26.42 H new ATOM 0 H1 DG B 14 10.569 -1.377 38.259 1.00 20.14 H new ATOM 0 H21 DG B 14 7.460 -2.150 38.877 1.00 17.60 H new ATOM 0 H22 DG B 14 8.432 -1.032 38.720 1.00 17.60 H new ATOM 285 P DC B 15 6.053 -9.669 36.725 1.00 30.94 P ATOM 286 OP1 DC B 15 4.771 -10.325 37.081 1.00 30.44 O ATOM 287 OP2 DC B 15 6.987 -10.332 35.787 1.00 31.84 O ATOM 288 O5' DC B 15 5.703 -8.224 36.167 1.00 28.73 O ATOM 289 C5' DC B 15 4.927 -7.322 36.947 1.00 25.75 C ATOM 290 C4' DC B 15 5.094 -5.917 36.426 1.00 24.55 C ATOM 291 O4' DC B 15 6.482 -5.558 36.500 1.00 23.91 O ATOM 292 C3' DC B 15 4.733 -5.744 34.956 1.00 24.11 C ATOM 293 O3' DC B 15 3.366 -5.356 34.859 1.00 25.70 O ATOM 294 C2' DC B 15 5.651 -4.624 34.493 1.00 25.17 C ATOM 295 C1' DC B 15 6.711 -4.504 35.583 1.00 23.17 C ATOM 296 N1 DC B 15 8.093 -4.622 35.103 1.00 23.09 N ATOM 297 C2 DC B 15 8.880 -3.476 35.054 1.00 20.51 C ATOM 298 O2 DC B 15 8.374 -2.400 35.370 1.00 21.14 O ATOM 299 N3 DC B 15 10.170 -3.571 34.656 1.00 20.10 N ATOM 300 C4 DC B 15 10.670 -4.754 34.302 1.00 21.16 C ATOM 301 N4 DC B 15 11.954 -4.804 33.935 1.00 21.26 N ATOM 302 C5 DC B 15 9.880 -5.939 34.315 1.00 22.10 C ATOM 303 C6 DC B 15 8.608 -5.829 34.722 1.00 22.43 C ATOM 0 H5' DC B 15 5.203 -7.366 37.876 1.00 25.75 H new ATOM 0 H5'' DC B 15 3.992 -7.578 36.916 1.00 25.75 H new ATOM 0 H4' DC B 15 4.502 -5.374 36.969 1.00 24.55 H new ATOM 0 H3' DC B 15 4.840 -6.548 34.424 1.00 24.11 H new ATOM 0 H2' DC B 15 6.052 -4.831 33.635 1.00 25.17 H new ATOM 0 H2'' DC B 15 5.163 -3.793 34.385 1.00 25.17 H new ATOM 0 H1' DC B 15 6.628 -3.618 35.969 1.00 23.17 H new ATOM 0 H41 DC B 15 12.305 -5.553 33.701 1.00 21.26 H new ATOM 0 H42 DC B 15 12.429 -4.087 33.933 1.00 21.26 H new ATOM 0 H5 DC B 15 10.233 -6.758 34.051 1.00 22.10 H new ATOM 0 H6 DC B 15 8.068 -6.586 34.746 1.00 22.43 H new ATOM 304 P DG B 16 2.674 -5.213 33.421 1.00 25.97 P ATOM 305 OP1 DG B 16 1.246 -5.530 33.655 1.00 27.54 O ATOM 306 OP2 DG B 16 3.440 -5.967 32.400 1.00 28.25 O ATOM 307 O5' DG B 16 2.785 -3.663 33.084 1.00 26.72 O ATOM 308 C5' DG B 16 2.234 -2.691 33.963 1.00 23.29 C ATOM 309 C4' DG B 16 2.713 -1.312 33.579 1.00 24.76 C ATOM 310 O4' DG B 16 4.161 -1.293 33.609 1.00 22.70 O ATOM 311 C3' DG B 16 2.313 -0.813 32.189 1.00 23.74 C ATOM 312 O3' DG B 16 2.036 0.586 32.294 1.00 25.59 O ATOM 313 C2' DG B 16 3.541 -1.102 31.348 1.00 23.55 C ATOM 314 C1' DG B 16 4.667 -0.892 32.343 1.00 21.87 C ATOM 315 N9 DG B 16 5.867 -1.675 32.063 1.00 20.40 N ATOM 316 C8 DG B 16 5.941 -2.986 31.653 1.00 21.36 C ATOM 317 N7 DG B 16 7.169 -3.393 31.463 1.00 21.64 N ATOM 318 C5 DG B 16 7.949 -2.284 31.771 1.00 18.15 C ATOM 319 C6 DG B 16 9.357 -2.114 31.737 1.00 18.84 C ATOM 320 O6 DG B 16 10.224 -2.941 31.423 1.00 16.55 O ATOM 321 N1 DG B 16 9.726 -0.824 32.116 1.00 15.84 N ATOM 322 C2 DG B 16 8.846 0.174 32.483 1.00 17.08 C ATOM 323 N2 DG B 16 9.381 1.362 32.816 1.00 13.26 N ATOM 324 N3 DG B 16 7.535 0.021 32.518 1.00 16.88 N ATOM 325 C4 DG B 16 7.160 -1.221 32.150 1.00 17.47 C ATOM 0 H5' DG B 16 2.492 -2.888 34.877 1.00 23.29 H new ATOM 0 H5'' DG B 16 1.265 -2.726 33.928 1.00 23.29 H new ATOM 0 H4' DG B 16 2.285 -0.727 34.224 1.00 24.76 H new ATOM 0 H3' DG B 16 1.525 -1.228 31.805 1.00 23.74 H new ATOM 0 H2' DG B 16 3.534 -2.005 30.994 1.00 23.55 H new ATOM 0 H2'' DG B 16 3.611 -0.501 30.590 1.00 23.55 H new ATOM 0 H1' DG B 16 4.936 0.039 32.301 1.00 21.87 H new ATOM 0 H8 DG B 16 5.195 -3.527 31.524 1.00 21.36 H new ATOM 0 H1 DG B 16 10.565 -0.636 32.122 1.00 15.84 H new ATOM 0 H21 DG B 16 8.870 2.013 33.051 1.00 13.26 H new ATOM 0 H22 DG B 16 10.234 1.471 32.794 1.00 13.26 H new ATOM 326 P DA B 17 2.036 1.528 30.992 1.00 26.77 P ATOM 327 OP1 DA B 17 1.010 2.565 31.273 1.00 26.08 O ATOM 328 OP2 DA B 17 1.969 0.752 29.733 1.00 24.13 O ATOM 329 O5' DA B 17 3.453 2.247 31.054 1.00 24.71 O ATOM 330 C5' DA B 17 3.848 2.959 32.219 1.00 24.56 C ATOM 331 C4' DA B 17 5.042 3.829 31.911 1.00 22.45 C ATOM 332 O4' DA B 17 6.195 3.004 31.633 1.00 19.91 O ATOM 333 C3' DA B 17 4.881 4.740 30.700 1.00 22.01 C ATOM 334 O3' DA B 17 5.549 5.964 30.978 1.00 22.59 O ATOM 335 C2' DA B 17 5.545 3.960 29.575 1.00 21.05 C ATOM 336 C1' DA B 17 6.639 3.179 30.293 1.00 20.57 C ATOM 337 N9 DA B 17 6.908 1.846 29.747 1.00 18.16 N ATOM 338 C8 DA B 17 5.997 0.869 29.443 1.00 17.59 C ATOM 339 N7 DA B 17 6.537 -0.250 29.024 1.00 17.26 N ATOM 340 C5 DA B 17 7.899 0.009 29.044 1.00 17.79 C ATOM 341 C6 DA B 17 9.017 -0.782 28.728 1.00 15.84 C ATOM 342 N6 DA B 17 8.940 -2.061 28.334 1.00 16.30 N ATOM 343 N1 DA B 17 10.237 -0.214 28.842 1.00 16.71 N ATOM 344 C2 DA B 17 10.318 1.059 29.258 1.00 16.63 C ATOM 345 N3 DA B 17 9.341 1.898 29.597 1.00 16.60 N ATOM 346 C4 DA B 17 8.143 1.305 29.468 1.00 17.62 C ATOM 0 H5' DA B 17 4.067 2.336 32.930 1.00 24.56 H new ATOM 0 H5'' DA B 17 3.113 3.506 32.538 1.00 24.56 H new ATOM 0 H4' DA B 17 5.142 4.383 32.701 1.00 22.45 H new ATOM 0 H3' DA B 17 3.965 4.966 30.473 1.00 22.01 H new ATOM 0 H2' DA B 17 4.917 3.370 29.129 1.00 21.05 H new ATOM 0 H2'' DA B 17 5.911 4.550 28.897 1.00 21.05 H new ATOM 0 H1' DA B 17 7.461 3.684 30.198 1.00 20.57 H new ATOM 0 H8 DA B 17 5.078 0.989 29.526 1.00 17.59 H new ATOM 0 H61 DA B 17 9.658 -2.499 28.153 1.00 16.30 H new ATOM 0 H62 DA B 17 8.173 -2.443 28.262 1.00 16.30 H new ATOM 0 H2 DA B 17 11.179 1.405 29.318 1.00 16.63 H new ATOM 347 P DA B 18 5.605 7.114 29.870 1.00 24.31 P ATOM 348 OP1 DA B 18 5.701 8.396 30.617 1.00 23.85 O ATOM 349 OP2 DA B 18 4.526 6.913 28.872 1.00 24.27 O ATOM 350 O5' DA B 18 6.999 6.861 29.152 1.00 23.64 O ATOM 351 C5' DA B 18 8.213 6.945 29.885 1.00 23.71 C ATOM 352 C4' DA B 18 9.375 6.653 28.968 1.00 22.44 C ATOM 353 O4' DA B 18 9.348 5.261 28.605 1.00 21.78 O ATOM 354 C3' DA B 18 9.355 7.444 27.659 1.00 22.50 C ATOM 355 O3' DA B 18 10.507 8.284 27.629 1.00 25.18 O ATOM 356 C2' DA B 18 9.348 6.389 26.557 1.00 21.83 C ATOM 357 C1' DA B 18 9.773 5.112 27.268 1.00 20.10 C ATOM 358 N9 DA B 18 9.174 3.876 26.766 1.00 20.18 N ATOM 359 C8 DA B 18 7.839 3.575 26.647 1.00 19.19 C ATOM 360 N7 DA B 18 7.608 2.356 26.223 1.00 20.37 N ATOM 361 C5 DA B 18 8.878 1.820 26.040 1.00 17.79 C ATOM 362 C6 DA B 18 9.321 0.556 25.611 1.00 16.76 C ATOM 363 N6 DA B 18 8.498 -0.450 25.297 1.00 17.21 N ATOM 364 N1 DA B 18 10.656 0.352 25.522 1.00 16.26 N ATOM 365 C2 DA B 18 11.479 1.350 25.859 1.00 17.30 C ATOM 366 N3 DA B 18 11.185 2.582 26.287 1.00 16.98 N ATOM 367 C4 DA B 18 9.851 2.752 26.355 1.00 18.55 C ATOM 0 H5' DA B 18 8.202 6.313 30.621 1.00 23.71 H new ATOM 0 H5'' DA B 18 8.308 7.829 30.272 1.00 23.71 H new ATOM 0 H4' DA B 18 10.169 6.907 29.463 1.00 22.44 H new ATOM 0 H3' DA B 18 8.587 8.027 27.553 1.00 22.50 H new ATOM 0 H2' DA B 18 8.469 6.298 26.158 1.00 21.83 H new ATOM 0 H2'' DA B 18 9.962 6.618 25.842 1.00 21.83 H new ATOM 0 H1' DA B 18 10.729 5.016 27.135 1.00 20.10 H new ATOM 0 H8 DA B 18 7.162 4.180 26.848 1.00 19.19 H new ATOM 0 H61 DA B 18 8.820 -1.205 25.039 1.00 17.21 H new ATOM 0 H62 DA B 18 7.647 -0.342 25.353 1.00 17.21 H new ATOM 0 H2 DA B 18 12.386 1.160 25.785 1.00 17.30 H new ATOM 368 P DT B 19 10.885 9.095 26.296 1.00 26.09 P ATOM 369 OP1 DT B 19 11.717 10.236 26.742 1.00 26.91 O ATOM 370 OP2 DT B 19 9.683 9.335 25.464 1.00 24.30 O ATOM 371 O5' DT B 19 11.843 8.092 25.521 1.00 26.02 O ATOM 372 C5' DT B 19 12.956 7.503 26.183 1.00 23.45 C ATOM 373 C4' DT B 19 13.597 6.471 25.289 1.00 24.64 C ATOM 374 O4' DT B 19 12.668 5.391 25.062 1.00 22.67 O ATOM 375 C3' DT B 19 14.003 6.983 23.903 1.00 22.77 C ATOM 376 O3' DT B 19 15.415 6.831 23.751 1.00 27.22 O ATOM 377 C2' DT B 19 13.233 6.100 22.928 1.00 23.26 C ATOM 378 C1' DT B 19 12.898 4.884 23.768 1.00 20.95 C ATOM 379 N1 DT B 19 11.699 4.132 23.371 1.00 19.03 N ATOM 380 C2 DT B 19 11.847 2.812 23.002 1.00 18.79 C ATOM 381 O2 DT B 19 12.931 2.259 22.924 1.00 17.68 O ATOM 382 N3 DT B 19 10.669 2.160 22.727 1.00 17.13 N ATOM 383 C4 DT B 19 9.393 2.688 22.778 1.00 18.54 C ATOM 384 O4 DT B 19 8.423 1.969 22.546 1.00 15.16 O ATOM 385 C5 DT B 19 9.318 4.089 23.131 1.00 17.66 C ATOM 386 C7 DT B 19 7.979 4.756 23.178 1.00 21.02 C ATOM 387 C6 DT B 19 10.459 4.732 23.403 1.00 19.27 C ATOM 0 H5' DT B 19 12.668 7.090 27.012 1.00 23.45 H new ATOM 0 H5'' DT B 19 13.603 8.187 26.416 1.00 23.45 H new ATOM 0 H4' DT B 19 14.402 6.201 25.759 1.00 24.64 H new ATOM 0 H3' DT B 19 13.802 7.921 23.757 1.00 22.77 H new ATOM 0 H2' DT B 19 12.434 6.540 22.598 1.00 23.26 H new ATOM 0 H2'' DT B 19 13.769 5.866 22.154 1.00 23.26 H new ATOM 0 H1' DT B 19 13.631 4.255 23.677 1.00 20.95 H new ATOM 0 H3 DT B 19 10.733 1.333 22.498 1.00 17.13 H new ATOM 0 H71 DT B 19 7.995 5.468 23.836 1.00 21.02 H new ATOM 0 H72 DT B 19 7.771 5.127 22.306 1.00 21.02 H new ATOM 0 H73 DT B 19 7.302 4.106 23.422 1.00 21.02 H new ATOM 0 H6 DT B 19 10.413 5.634 23.626 1.00 19.27 H new HETATM 388 P UFR B 20 16.137 7.365 22.422 1.00 29.02 P HETATM 389 O1P UFR B 20 17.500 7.781 22.817 1.00 31.26 O HETATM 390 O2P UFR B 20 15.231 8.331 21.750 1.00 29.19 O HETATM 391 O5' UFR B 20 16.244 6.070 21.503 1.00 26.60 O HETATM 392 C5' UFR B 20 16.806 4.861 22.011 1.00 25.64 C HETATM 393 C4' UFR B 20 16.556 3.727 21.045 1.00 25.54 C HETATM 394 O4' UFR B 20 15.158 3.373 21.038 1.00 23.40 O HETATM 395 C3' UFR B 20 16.934 4.014 19.590 1.00 26.11 C HETATM 396 O3' UFR B 20 18.062 3.214 19.237 1.00 30.18 O HETATM 397 C2' UFR B 20 15.690 3.645 18.784 1.00 25.23 C HETATM 398 C1' UFR B 20 14.836 2.852 19.768 1.00 22.26 C HETATM 399 N1 UFR B 20 13.382 2.989 19.599 1.00 21.26 N HETATM 400 C2 UFR B 20 12.662 1.869 19.234 1.00 20.89 C HETATM 401 O2 UFR B 20 13.188 0.801 18.963 1.00 20.61 O HETATM 402 N3 UFR B 20 11.298 2.046 19.188 1.00 18.63 N HETATM 403 C4 UFR B 20 10.601 3.211 19.445 1.00 21.88 C HETATM 404 O4 UFR B 20 9.367 3.183 19.463 1.00 21.64 O HETATM 405 C5 UFR B 20 11.427 4.345 19.765 1.00 23.51 C HETATM 406 C6 UFR B 20 12.756 4.191 19.826 1.00 21.60 C HETATM 407 C7 UFR B 20 10.779 5.688 19.935 1.00 26.55 C HETATM 408 O5 UFR B 20 9.556 5.822 19.875 1.00 30.78 O HETATM 0 H5'2 UFR B 20 17.759 4.973 22.150 1.00 25.64 H new HETATM 0 H5'1 UFR B 20 16.416 4.652 22.874 1.00 25.64 H new HETATM 0 H2'2 UFR B 20 15.225 4.435 18.466 1.00 25.23 H new HETATM 0 H2'1 UFR B 20 15.916 3.116 18.003 1.00 25.23 H new HETATM 0 HN3 UFR B 20 10.829 1.357 18.976 1.00 18.63 H new HETATM 0 H7 UFR B 20 11.335 6.467 20.095 1.00 26.55 H new HETATM 0 H6 UFR B 20 13.302 4.964 20.040 1.00 21.60 H new HETATM 0 H4' UFR B 20 17.129 3.015 21.370 1.00 25.54 H new HETATM 0 H3' UFR B 20 17.187 4.936 19.426 1.00 26.11 H new HETATM 0 H1' UFR B 20 15.028 1.911 19.633 1.00 22.26 H new ATOM 409 P DC B 21 18.701 3.332 17.770 1.00 32.89 P ATOM 410 OP1 DC B 21 20.122 2.929 17.885 1.00 33.58 O ATOM 411 OP2 DC B 21 18.357 4.646 17.185 1.00 31.13 O ATOM 412 O5' DC B 21 17.936 2.201 16.953 1.00 30.50 O ATOM 413 C5' DC B 21 17.928 0.854 17.420 1.00 29.92 C ATOM 414 C4' DC B 21 17.026 0.010 16.551 1.00 29.33 C ATOM 415 O4' DC B 21 15.641 0.359 16.755 1.00 27.41 O ATOM 416 C3' DC B 21 17.289 0.141 15.052 1.00 29.68 C ATOM 417 O3' DC B 21 17.623 -1.144 14.537 1.00 33.83 O ATOM 418 C2' DC B 21 15.982 0.668 14.474 1.00 27.70 C ATOM 419 C1' DC B 21 14.956 0.283 15.521 1.00 26.12 C ATOM 420 N1 DC B 21 13.785 1.170 15.617 1.00 25.35 N ATOM 421 C2 DC B 21 12.500 0.627 15.455 1.00 23.80 C ATOM 422 O2 DC B 21 12.382 -0.568 15.152 1.00 24.70 O ATOM 423 N3 DC B 21 11.423 1.424 15.630 1.00 21.25 N ATOM 424 C4 DC B 21 11.590 2.713 15.935 1.00 19.73 C ATOM 425 N4 DC B 21 10.500 3.451 16.133 1.00 21.16 N ATOM 426 C5 DC B 21 12.881 3.298 16.061 1.00 23.80 C ATOM 427 C6 DC B 21 13.941 2.499 15.893 1.00 22.78 C ATOM 0 H5' DC B 21 17.623 0.825 18.340 1.00 29.92 H new ATOM 0 H5'' DC B 21 18.829 0.495 17.409 1.00 29.92 H new ATOM 0 H4' DC B 21 17.222 -0.900 16.823 1.00 29.33 H new ATOM 0 H3' DC B 21 18.024 0.734 14.830 1.00 29.68 H new ATOM 0 H2' DC B 21 16.012 1.628 14.339 1.00 27.70 H new ATOM 0 H2'' DC B 21 15.783 0.266 13.614 1.00 27.70 H new ATOM 0 H1' DC B 21 14.605 -0.590 15.284 1.00 26.12 H new ATOM 0 H41 DC B 21 10.575 4.285 16.331 1.00 21.16 H new ATOM 0 H42 DC B 21 9.721 3.094 16.063 1.00 21.16 H new ATOM 0 H5 DC B 21 12.984 4.202 16.253 1.00 23.80 H new ATOM 0 H6 DC B 21 14.798 2.854 15.965 1.00 22.78 H new ATOM 428 P DG B 22 18.530 -1.261 13.224 1.00 35.07 P ATOM 429 OP1 DG B 22 19.297 -2.526 13.330 1.00 36.55 O ATOM 430 OP2 DG B 22 19.242 0.019 13.000 1.00 36.73 O ATOM 431 O5' DG B 22 17.461 -1.438 12.061 1.00 33.96 O ATOM 432 C5' DG B 22 16.563 -2.539 12.063 1.00 32.93 C ATOM 433 C4' DG B 22 15.400 -2.247 11.150 1.00 33.28 C ATOM 434 O4' DG B 22 14.525 -1.265 11.753 1.00 29.41 O ATOM 435 C3' DG B 22 15.807 -1.666 9.792 1.00 34.31 C ATOM 436 O3' DG B 22 15.070 -2.319 8.765 1.00 37.70 O ATOM 437 C2' DG B 22 15.367 -0.215 9.880 1.00 31.96 C ATOM 438 C1' DG B 22 14.135 -0.373 10.736 1.00 28.61 C ATOM 439 N9 DG B 22 13.608 0.833 11.358 1.00 24.59 N ATOM 440 C8 DG B 22 14.289 1.960 11.746 1.00 24.23 C ATOM 441 N7 DG B 22 13.510 2.875 12.255 1.00 22.68 N ATOM 442 C5 DG B 22 12.242 2.313 12.203 1.00 20.61 C ATOM 443 C6 DG B 22 10.988 2.831 12.608 1.00 20.10 C ATOM 444 O6 DG B 22 10.735 3.928 13.110 1.00 19.82 O ATOM 445 N1 DG B 22 9.960 1.920 12.375 1.00 20.07 N ATOM 446 C2 DG B 22 10.120 0.674 11.824 1.00 21.55 C ATOM 447 N2 DG B 22 9.016 -0.067 11.681 1.00 18.33 N ATOM 448 N3 DG B 22 11.284 0.186 11.439 1.00 20.60 N ATOM 449 C4 DG B 22 12.294 1.053 11.658 1.00 22.66 C ATOM 0 H5' DG B 22 16.244 -2.706 12.964 1.00 32.93 H new ATOM 0 H5'' DG B 22 17.021 -3.342 11.771 1.00 32.93 H new ATOM 0 H4' DG B 22 14.970 -3.106 11.015 1.00 33.28 H new ATOM 0 H3' DG B 22 16.751 -1.769 9.596 1.00 34.31 H new ATOM 0 H2' DG B 22 16.037 0.352 10.293 1.00 31.96 H new ATOM 0 H2'' DG B 22 15.169 0.167 9.011 1.00 31.96 H new ATOM 0 H1' DG B 22 13.412 -0.669 10.161 1.00 28.61 H new ATOM 0 H8 DG B 22 15.209 2.061 11.656 1.00 24.23 H new ATOM 0 H1 DG B 22 9.163 2.157 12.594 1.00 20.07 H new ATOM 0 H21 DG B 22 9.068 -0.855 11.340 1.00 18.33 H new ATOM 0 H22 DG B 22 8.254 0.244 11.930 1.00 18.33 H new ATOM 450 P DC B 23 15.703 -2.462 7.299 1.00 42.47 P ATOM 451 OP1 DC B 23 16.618 -3.636 7.334 1.00 41.64 O ATOM 452 OP2 DC B 23 16.217 -1.133 6.869 1.00 40.45 O ATOM 453 O5' DC B 23 14.443 -2.836 6.402 1.00 40.23 O ATOM 454 C5' DC B 23 13.576 -3.903 6.778 1.00 37.56 C ATOM 455 C4' DC B 23 12.139 -3.437 6.756 1.00 35.67 C ATOM 456 O4' DC B 23 11.944 -2.422 7.759 1.00 34.04 O ATOM 457 C3' DC B 23 11.689 -2.774 5.459 1.00 33.25 C ATOM 458 O3' DC B 23 11.183 -3.747 4.545 1.00 32.69 O ATOM 459 C2' DC B 23 10.555 -1.871 5.911 1.00 32.49 C ATOM 460 C1' DC B 23 10.814 -1.640 7.394 1.00 31.19 C ATOM 461 N1 DC B 23 11.102 -0.243 7.736 1.00 27.35 N ATOM 462 C2 DC B 23 10.037 0.588 8.102 1.00 25.66 C ATOM 463 O2 DC B 23 8.878 0.130 8.073 1.00 21.60 O ATOM 464 N3 DC B 23 10.294 1.860 8.472 1.00 23.76 N ATOM 465 C4 DC B 23 11.551 2.315 8.472 1.00 26.27 C ATOM 466 N4 DC B 23 11.763 3.565 8.878 1.00 26.96 N ATOM 467 C5 DC B 23 12.648 1.502 8.066 1.00 26.34 C ATOM 468 C6 DC B 23 12.381 0.240 7.711 1.00 27.74 C ATOM 0 H5' DC B 23 13.807 -4.220 7.665 1.00 37.56 H new ATOM 0 H5'' DC B 23 13.690 -4.651 6.171 1.00 37.56 H new ATOM 0 H4' DC B 23 11.629 -4.251 6.893 1.00 35.67 H new ATOM 0 H3' DC B 23 12.409 -2.308 5.005 1.00 33.25 H new ATOM 0 H2' DC B 23 10.553 -1.035 5.419 1.00 32.49 H new ATOM 0 H2'' DC B 23 9.692 -2.289 5.765 1.00 32.49 H new ATOM 0 H1' DC B 23 10.006 -1.887 7.870 1.00 31.19 H new ATOM 0 H41 DC B 23 12.562 3.884 8.888 1.00 26.96 H new ATOM 0 H42 DC B 23 11.101 4.053 9.130 1.00 26.96 H new ATOM 0 H5 DC B 23 13.516 1.835 8.048 1.00 26.34 H new ATOM 0 H6 DC B 23 13.076 -0.317 7.443 1.00 27.74 H new ATOM 469 P DG B 24 10.912 -3.336 3.014 1.00 33.92 P ATOM 470 OP1 DG B 24 10.703 -4.604 2.281 1.00 34.02 O ATOM 471 OP2 DG B 24 11.975 -2.396 2.569 1.00 33.66 O ATOM 472 O5' DG B 24 9.533 -2.526 3.057 1.00 30.14 O ATOM 473 C5' DG B 24 8.314 -3.155 3.464 1.00 25.82 C ATOM 474 C4' DG B 24 7.236 -2.118 3.703 1.00 21.88 C ATOM 475 O4' DG B 24 7.583 -1.268 4.815 1.00 21.62 O ATOM 476 C3' DG B 24 6.974 -1.160 2.547 1.00 21.39 C ATOM 477 O3' DG B 24 6.126 -1.757 1.564 1.00 22.22 O ATOM 478 C2' DG B 24 6.376 0.049 3.242 1.00 21.50 C ATOM 479 C1' DG B 24 7.071 0.045 4.606 1.00 21.32 C ATOM 480 N9 DG B 24 8.191 0.971 4.725 1.00 21.09 N ATOM 481 C8 DG B 24 9.482 0.750 4.311 1.00 21.89 C ATOM 482 N7 DG B 24 10.287 1.739 4.591 1.00 21.76 N ATOM 483 C5 DG B 24 9.476 2.675 5.217 1.00 20.96 C ATOM 484 C6 DG B 24 9.793 3.947 5.757 1.00 23.00 C ATOM 485 O6 DG B 24 10.891 4.515 5.800 1.00 25.18 O ATOM 486 N1 DG B 24 8.672 4.569 6.293 1.00 21.23 N ATOM 487 C2 DG B 24 7.407 4.036 6.313 1.00 21.39 C ATOM 488 N2 DG B 24 6.460 4.804 6.872 1.00 22.20 N ATOM 489 N3 DG B 24 7.097 2.845 5.821 1.00 18.17 N ATOM 490 C4 DG B 24 8.174 2.224 5.294 1.00 19.85 C ATOM 0 H5' DG B 24 8.463 -3.667 4.274 1.00 25.82 H new ATOM 0 H5'' DG B 24 8.023 -3.781 2.782 1.00 25.82 H new ATOM 0 H4' DG B 24 6.444 -2.659 3.850 1.00 21.88 H new ATOM 0 H3' DG B 24 7.762 -0.919 2.036 1.00 21.39 H new ATOM 0 H2' DG B 24 6.552 0.868 2.752 1.00 21.50 H new ATOM 0 H2'' DG B 24 5.413 -0.028 3.330 1.00 21.50 H new ATOM 0 HO3' DG B 24 5.994 -1.212 0.939 1.00 22.22 H new ATOM 0 H1' DG B 24 6.409 0.324 5.258 1.00 21.32 H new ATOM 0 H8 DG B 24 9.755 -0.025 3.876 1.00 21.89 H new ATOM 0 H1 DG B 24 8.779 5.349 6.639 1.00 21.23 H new ATOM 0 H21 DG B 24 5.648 4.524 6.914 1.00 22.20 H new ATOM 0 H22 DG B 24 6.665 5.577 7.189 1.00 22.20 H new TER 491 DG B 24 HETATM 492 O HOH A 25 13.100 -11.308 18.699 1.00 37.75 O HETATM 493 O HOH A 26 14.163 -10.570 21.153 1.00 44.43 O HETATM 494 O HOH A 27 13.543 -14.087 19.004 1.00 41.31 O HETATM 495 O HOH A 28 16.547 -12.750 19.877 1.00 44.94 O HETATM 496 O HOH A 29 14.250 -13.715 21.835 1.00 41.13 O HETATM 497 O HOH A 31 10.844 4.095 30.794 1.00 18.12 O HETATM 498 O HOH A 32 13.485 3.464 27.607 1.00 18.82 O HETATM 499 O HOH A 34 9.872 3.365 35.050 1.00 24.25 O HETATM 500 O HOH A 36 15.951 1.781 39.015 1.00 25.32 O HETATM 501 O HOH A 39 14.767 -1.388 19.537 1.00 22.62 O HETATM 502 O HOH A 41 15.214 -4.554 30.908 1.00 21.12 O HETATM 503 O HOH A 42 9.744 5.255 33.121 1.00 23.76 O HETATM 504 O HOH A 44 7.168 -4.722 22.275 1.00 31.53 O HETATM 505 O HOH A 46 12.412 -3.642 16.305 1.00 46.22 O HETATM 506 O HOH A 48 13.839 7.831 29.878 1.00 28.86 O HETATM 507 O HOH A 49 6.001 6.364 45.297 1.00 33.31 O HETATM 508 O HOH A 50 7.087 3.979 17.810 1.00 46.98 O HETATM 509 O HOH A 51 7.531 6.945 16.184 1.00 41.78 O HETATM 510 O HOH A 52 18.939 7.202 29.555 1.00 44.84 O HETATM 511 O HOH A 53 17.416 -3.344 29.950 1.00 38.29 O HETATM 512 O HOH A 56 3.438 6.899 37.293 1.00 43.03 O HETATM 513 O HOH A 57 21.078 -1.501 22.099 1.00 45.46 O HETATM 514 O HOH A 58 10.938 -6.122 28.099 1.00 34.03 O HETATM 515 O HOH A 60 19.037 2.718 33.838 1.00 49.14 O HETATM 516 O HOH A 62 12.522 4.717 42.852 1.00 44.27 O HETATM 517 O HOH A 63 5.874 -2.363 22.606 1.00 36.62 O HETATM 518 O HOH A 68 20.441 3.862 26.710 1.00 35.77 O HETATM 519 O HOH A 71 10.080 -8.064 21.863 1.00 34.43 O HETATM 520 O HOH A 77 4.122 -5.196 19.224 1.00 50.62 O HETATM 521 O HOH A 79 17.620 -6.511 17.656 1.00 48.00 O HETATM 522 O HOH A 81 8.498 7.393 41.846 1.00 36.57 O HETATM 523 O HOH A 83 20.105 0.917 36.622 1.00 63.40 O HETATM 524 O HOH A 84 14.625 -7.394 24.201 1.00 33.38 O HETATM 525 O HOH A 85 4.398 4.191 46.397 1.00 33.01 O HETATM 526 O HOH A 86 8.538 5.767 44.119 1.00 38.54 O HETATM 527 O HOH A 87 15.130 -3.211 17.572 1.00 32.73 O HETATM 528 O HOH A 89 16.435 -0.083 21.325 1.00 25.44 O HETATM 529 O HOH A 91 7.987 -4.795 25.070 1.00 34.82 O HETATM 530 O HOH A 97 2.590 -8.898 19.613 1.00 41.63 O HETATM 531 O HOH A 98 18.508 0.641 32.540 1.00 40.12 O HETATM 532 O HOH A 99 17.293 -0.889 34.265 1.00 39.77 O HETATM 533 O HOH A 101 11.098 9.500 34.865 1.00 41.34 O HETATM 534 O HOH A 102 4.140 -5.501 25.039 1.00 55.74 O HETATM 535 O HOH A 103 14.590 10.247 33.501 1.00 38.74 O HETATM 536 O HOH A 104 17.661 -4.197 16.399 1.00 55.00 O HETATM 537 O HOH A 105 2.158 -1.050 19.259 1.00 47.33 O HETATM 538 O HOH A 106 8.320 10.068 43.644 1.00 46.50 O HETATM 539 O HOH A 110 11.566 6.787 45.235 1.00 48.29 O HETATM 540 O HOH A 111 17.539 4.432 35.062 1.00 54.92 O HETATM 541 O HOH A 115 3.693 10.510 39.463 1.00 55.25 O HETATM 542 O HOH A 117 22.235 1.673 34.145 1.00 46.84 O HETATM 543 O HOH A 119 19.400 -2.517 18.653 1.00 37.98 O HETATM 544 O HOH A 128 27.805 6.237 33.547 1.00 41.96 O HETATM 545 O HOH A 129 14.186 -8.020 28.603 1.00 54.41 O HETATM 546 O HOH A 130 2.307 5.615 47.186 1.00 40.86 O HETATM 547 O HOH A 131 14.438 5.633 40.248 1.00 53.34 O HETATM 548 O HOH A 133 20.833 -7.069 16.678 1.00 59.78 O HETATM 549 O HOH A 139 13.098 5.745 47.189 1.00 52.20 O HETATM 550 O HOH A 141 26.801 6.073 30.944 1.00 48.26 O HETATM 551 O HOH A 144 3.558 9.681 36.748 1.00 47.84 O HETATM 552 O HOH A 147 0.957 -11.359 18.901 1.00 54.32 O HETATM 553 O HOH A 148 10.256 -8.401 26.937 1.00 48.15 O HETATM 554 O HOH A 150 19.249 0.199 21.162 1.00 40.58 O HETATM 555 O HOH A 151 19.980 -6.718 20.240 1.00 48.50 O HETATM 556 O HOH A 152 4.676 -1.590 20.100 1.00 47.78 O HETATM 557 O HOH A 154 4.964 1.361 19.954 1.00 42.13 O HETATM 558 O HOH A 155 24.884 4.993 29.199 1.00 60.98 O HETATM 559 O HOH A 156 24.611 5.773 25.861 1.00 53.53 O HETATM 560 O HOH A 157 24.401 7.474 32.714 1.00 57.99 O HETATM 561 O HOH A 158 22.017 4.731 36.354 1.00 53.22 O HETATM 562 O HOH A 160 2.334 -3.117 24.117 1.00 63.07 O HETATM 563 O HOH A 166 23.490 2.726 29.100 1.00 54.11 O HETATM 564 O HOH A 168 14.638 2.795 41.657 1.00 48.10 O HETATM 565 O HOH A 170 5.610 -6.470 20.837 1.00 52.49 O HETATM 566 O HOH B 30 15.347 1.406 23.553 1.00 13.99 O HETATM 567 O HOH B 33 15.579 3.336 25.497 1.00 17.84 O HETATM 568 O HOH B 35 4.934 1.758 25.767 1.00 25.98 O HETATM 569 O HOH B 37 5.511 -0.908 25.212 1.00 30.77 O HETATM 570 O HOH B 38 10.704 6.358 16.557 1.00 24.67 O HETATM 571 O HOH B 40 5.838 2.268 22.251 1.00 28.52 O HETATM 572 O HOH B 43 5.031 -2.116 27.786 1.00 29.87 O HETATM 573 O HOH B 45 7.302 4.489 34.359 1.00 27.01 O HETATM 574 O HOH B 47 6.783 -4.239 27.742 1.00 34.41 O HETATM 575 O HOH B 54 -0.657 2.608 33.258 1.00 47.51 O HETATM 576 O HOH B 55 9.579 7.915 33.317 1.00 36.12 O HETATM 577 O HOH B 59 12.701 5.466 29.279 1.00 25.63 O HETATM 578 O HOH B 61 5.626 5.925 26.025 1.00 32.33 O HETATM 579 O HOH B 64 7.350 -6.117 30.425 1.00 39.02 O HETATM 580 O HOH B 65 18.026 -0.988 41.613 1.00 43.85 O HETATM 581 O HOH B 66 6.313 10.798 29.214 1.00 48.26 O HETATM 582 O HOH B 67 -0.256 -1.446 36.884 1.00 33.63 O HETATM 583 O HOH B 69 15.335 -3.291 37.409 1.00 52.18 O HETATM 584 O HOH B 70 19.239 7.414 18.641 1.00 50.14 O HETATM 585 O HOH B 72 17.226 -1.139 37.798 1.00 43.51 O HETATM 586 O HOH B 73 10.416 -5.697 30.540 1.00 37.29 O HETATM 587 O HOH B 74 16.726 4.679 14.912 1.00 58.09 O HETATM 588 O HOH B 78 14.863 2.088 45.017 1.00 55.74 O HETATM 589 O HOH B 80 2.747 2.148 27.369 1.00 41.97 O HETATM 590 O HOH B 82 7.443 8.171 21.675 1.00 48.35 O HETATM 591 O HOH B 88 14.362 4.716 8.867 1.00 37.73 O HETATM 592 O HOH B 90 14.292 5.308 13.211 1.00 32.01 O HETATM 593 O HOH B 92 14.075 6.667 18.842 1.00 44.54 O HETATM 594 O HOH B 93 13.382 -3.036 13.892 1.00 47.21 O HETATM 595 O HOH B 94 15.175 -0.339 44.441 1.00 50.66 O HETATM 596 O HOH B 95 20.356 -1.314 40.504 1.00 53.26 O HETATM 597 O HOH B 96 9.978 7.898 22.785 1.00 32.05 O HETATM 598 O HOH B 100 13.853 11.586 25.459 1.00 49.60 O HETATM 599 O HOH B 108 20.582 9.919 16.687 1.00 53.18 O HETATM 600 O HOH B 109 15.181 -5.135 9.521 1.00 46.58 O HETATM 601 O HOH B 112 6.990 8.496 33.333 1.00 47.30 O HETATM 602 O HOH B 113 21.293 -3.436 42.405 1.00 44.50 O HETATM 603 O HOH B 116 11.054 9.026 31.416 1.00 46.76 O HETATM 604 O HOH B 118 5.080 -11.902 39.034 1.00 42.18 O HETATM 605 O HOH B 120 18.663 -5.495 42.318 1.00 43.76 O HETATM 606 O HOH B 121 6.540 8.484 24.872 1.00 44.42 O HETATM 607 O HOH B 122 10.227 12.181 27.852 1.00 39.61 O HETATM 608 O HOH B 123 5.845 6.671 35.229 1.00 44.33 O HETATM 609 O HOH B 124 4.314 13.030 28.925 1.00 55.36 O HETATM 610 O HOH B 125 14.335 5.552 6.378 1.00 53.82 O HETATM 611 O HOH B 126 16.145 -2.571 45.133 1.00 56.24 O HETATM 612 O HOH B 127 22.491 4.793 17.008 1.00 52.01 O HETATM 613 O HOH B 132 4.277 3.522 23.925 1.00 58.30 O HETATM 614 O HOH B 134 0.707 -7.987 32.290 1.00 43.32 O HETATM 615 O HOH B 135 23.149 -0.893 18.816 1.00 54.35 O HETATM 616 O HOH B 136 22.747 -1.665 38.024 1.00 46.92 O HETATM 617 O HOH B 137 8.154 13.491 40.017 1.00 51.44 O HETATM 618 O HOH B 138 0.702 2.349 25.729 1.00 57.77 O HETATM 619 O HOH B 140 19.296 -3.499 38.935 1.00 48.58 O HETATM 620 O HOH B 142 13.606 6.995 10.119 1.00 46.97 O HETATM 621 O HOH B 143 2.445 5.062 27.267 1.00 52.89 O HETATM 622 O HOH B 145 0.468 -0.863 28.702 1.00 43.05 O HETATM 623 O HOH B 146 9.689 11.660 23.594 1.00 51.78 O HETATM 624 O HOH B 149 0.792 -8.646 36.610 1.00 53.37 O HETATM 625 O HOH B 153 3.574 -4.945 30.046 1.00 48.41 O HETATM 626 O HOH B 159 19.940 6.759 14.526 1.00 54.78 O HETATM 627 O HOH B 161 3.133 9.443 27.612 1.00 50.73 O HETATM 628 O HOH B 162 0.793 -3.609 29.507 1.00 48.37 O HETATM 629 O HOH B 163 16.248 -3.515 47.681 1.00 60.22 O HETATM 630 O HOH B 164 6.926 9.389 35.972 1.00 59.27 O HETATM 631 O HOH B 165 0.287 -6.746 29.726 1.00 53.68 O HETATM 632 O HOH B 167 19.092 -1.453 36.086 1.00 58.80 O HETATM 633 O HOH B 169 8.997 11.098 35.771 1.00 63.70 O CONECT 130 142 CONECT 142 130 143 144 145 CONECT 143 142 CONECT 144 142 CONECT 145 142 146 CONECT 146 145 147 CONECT 147 146 148 149 CONECT 148 147 152 CONECT 149 147 150 151 CONECT 150 149 164 CONECT 151 149 152 CONECT 152 148 151 153 CONECT 153 152 154 160 CONECT 154 153 155 156 CONECT 155 154 CONECT 156 154 157 CONECT 157 156 158 159 CONECT 158 157 CONECT 159 157 160 161 CONECT 160 153 159 CONECT 161 159 162 163 CONECT 162 161 CONECT 163 161 CONECT 164 150 CONECT 376 388 CONECT 388 376 389 390 391 CONECT 389 388 CONECT 390 388 CONECT 391 388 392 CONECT 392 391 393 CONECT 393 392 394 395 CONECT 394 393 398 CONECT 395 393 396 397 CONECT 396 395 409 CONECT 397 395 398 CONECT 398 394 397 399 CONECT 399 398 400 406 CONECT 400 399 401 402 CONECT 401 400 CONECT 402 400 403 CONECT 403 402 404 405 CONECT 404 403 CONECT 405 403 406 407 CONECT 406 399 405 CONECT 407 405 408 CONECT 408 407 CONECT 409 396 END