USER MOD reduce.3.24.130724 H: found=0, std=0, add=224, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER DNA-RNA HYBRID 25-JUL-95 219D TITLE DNA/RNA HYBRID DUPLEX (5'-D(*GP*CP*TP*AP*TP*AP*APS*TP*GP*G)- TITLE 2 3')(DOT) (5'-R(*CP*CP*AP*UP*UP*AP*UP*AP*GP*C)-3') WITH A TITLE 3 PHOSPHOROTHIOATE MOIETY COMPND MOL_ID: 1; COMPND 2 MOLECULE: DNA (5'-D(*GP*CP*TP*AP*TP*AP*AP*TP*GP*G)-3'); COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 OTHER_DETAILS: PHOSPHOROTHIOATE LINK BETWEEN A 7 AND T 8; COMPND 6 MOL_ID: 2; COMPND 7 MOLECULE: RNA (5'-R(*CP*CP*AP*UP*UP*AP*UP*AP*GP*C)-3'); COMPND 8 CHAIN: B; COMPND 9 ENGINEERED: YES; COMPND 0 OTHER_DETAILS: PHOSPHOROTHIOATE LINK BETWEEN A 7 AND T 8 SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: CHEMICALLY SYNTHESIZED; SOURCE 4 MOL_ID: 2; SOURCE 5 SYNTHETIC: YES; SOURCE 6 OTHER_DETAILS: CHEMICALLY SYNTHESIZED KEYWDS DNA, RNA, NMR, HYBRID, PHOSPHOROTHIOATE, DNA/RNA COMPLEX, KEYWDS 2 DNA-RNA HYBRID EXPDTA SOLUTION NMR AUTHOR C.GONZALEZ,T.L.JAMES REVDAT 3 24-FEB-09 219D 1 VERSN REVDAT 2 01-APR-03 219D 1 JRNL REVDAT 1 15-OCT-95 219D 0 JRNL AUTH C.GONZALEZ,W.STEC,M.A.REYNOLDS,T.L.JAMES JRNL TITL STRUCTURE AND DYNAMICS OF A DNA.RNA HYBRID DUPLEX JRNL TITL 2 WITH A CHIRAL PHOSPHOROTHIOATE MOIETY: NMR AND JRNL TITL 3 MOLECULAR DYNAMICS WITH CONVENTIONAL AND JRNL TITL 4 TIME-AVERAGED RESTRAINTS. JRNL REF BIOCHEMISTRY V. 34 4969 1995 JRNL REFN ISSN 0006-2960 JRNL PMID 7711019 JRNL DOI 10.1021/BI00015A008 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH C.GONZALEZ,W.STEC,A.KOBYLANSKA,R.I.HOGREFE, REMARK 1 AUTH 2 M.A.REYNOLDS,T.L.JAMES REMARK 1 TITL STRUCTURAL STUDY OF A DNA(DOT)RNA HYBRID DUPLEX REMARK 1 TITL 2 WITH A CHIRAL PHOSPHOROTHIOATE MOIETY BY NMR: REMARK 1 TITL 3 EXTRACTION OF DISTANCE AND TORSION ANGLE REMARK 1 TITL 4 CONSTRAINTS AND IMINO PROTON EXCHANGE RATES REMARK 1 REF BIOCHEMISTRY V. 33 11062 1994 REMARK 1 REFN ISSN 0006-2960 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : AMBER4 REMARK 3 AUTHORS : PEARLMAN,KOLLMAN REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NUMBER OF ATOMS USED IN REFINEMENT. REMARK 3 NUMBER OF PROTEIN ATOMS 0 NUMBER OF NUCLEIC ACID ATOMS 411 REMARK 3 NUMBER OF HETEROGEN ATOMS 0 NUMBER OF SOLVENT ATOMS 0 REMARK 4 REMARK 4 219D COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : NULL REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : MOLECULAR DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: THE PHOSPHATE BETWEEN NUCLEOTIDES SEVEN AND EIGHT IS REMARK 210 MODIFIED BY SUBSTITUTING A SULFUR FOR ONE OF THE OXYGEN ATOMS. REMARK 210 TWO SAMPLES WITH PURE CHIRALITY (R OR S) HAVE BEEN STUDIED; REMARK 210 ONLY MINOR DIFFERENCES COULD BE DETECTED. THE COORDINATES REMARK 210 REPRESENT THE S STEREOISOMER OF THE MODIFIED PHOSPHATE. THE REMARK 210 SIXTH ROOT R-FACTOR, EXPRESSING THE FIT TO THE EXPERIMENTAL REMARK 210 NOE DATA, CALCULATED WITH THE PROGRAM CORMA (KEEPERS AND REMARK 210 JAMES), HAS A VALUE OF 0.074. THE ROOT MEAN SQUARE DEVIATION REMARK 210 BETWEEN EXPERIMENTAL AND THEORETICAL DEOXYRIBOSE J-COUPLING REMARK 210 CONSTRAINTS IS 2.01 HZ. THIS POOR FIT OF THE COUPLING REMARK 210 CONSTANTS IS DUE TO CONFORMATIONAL FLEXIBILITY IN THE SUGAR REMARK 210 RING. REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 DG A 1 C4' - C3' - C2' ANGL. DEV. = -5.4 DEGREES REMARK 500 DG A 1 O4' - C1' - N9 ANGL. DEV. = 4.7 DEGREES REMARK 500 DC A 2 O4' - C1' - C2' ANGL. DEV. = 3.2 DEGREES REMARK 500 DC A 2 O4' - C1' - N1 ANGL. DEV. = 3.9 DEGREES REMARK 500 DT A 3 O4' - C1' - C2' ANGL. DEV. = -4.9 DEGREES REMARK 500 DT A 3 C6 - C5 - C7 ANGL. DEV. = -4.3 DEGREES REMARK 500 DA A 4 C3' - C2' - C1' ANGL. DEV. = 8.4 DEGREES REMARK 500 DA A 4 O4' - C1' - N9 ANGL. DEV. = 2.9 DEGREES REMARK 500 DT A 5 C6 - C5 - C7 ANGL. DEV. = -4.4 DEGREES REMARK 500 DA A 6 O4' - C1' - N9 ANGL. DEV. = 2.2 DEGREES REMARK 500 DA A 7 O4' - C4' - C3' ANGL. DEV. = 4.7 DEGREES REMARK 500 DA A 7 C4' - C3' - C2' ANGL. DEV. = -9.7 DEGREES REMARK 500 DA A 7 O4' - C1' - C2' ANGL. DEV. = -10.2 DEGREES REMARK 500 DA A 7 O4' - C1' - N9 ANGL. DEV. = 8.2 DEGREES REMARK 500 DG A 9 O4' - C1' - N9 ANGL. DEV. = 2.7 DEGREES REMARK 500 DG A 10 O4' - C1' - N9 ANGL. DEV. = 2.2 DEGREES REMARK 500 C B 12 O4' - C1' - N1 ANGL. DEV. = 4.7 DEGREES REMARK 500 A B 13 O4' - C1' - N9 ANGL. DEV. = 5.3 DEGREES REMARK 500 U B 14 O4' - C1' - N1 ANGL. DEV. = 6.4 DEGREES REMARK 500 U B 15 O4' - C1' - N1 ANGL. DEV. = 4.3 DEGREES REMARK 500 A B 16 C3' - C2' - C1' ANGL. DEV. = 4.8 DEGREES REMARK 500 A B 16 O4' - C1' - N9 ANGL. DEV. = 5.9 DEGREES REMARK 500 U B 17 O4' - C1' - N1 ANGL. DEV. = 4.7 DEGREES REMARK 500 A B 18 C5' - C4' - O4' ANGL. DEV. = 5.7 DEGREES REMARK 500 A B 18 C3' - C2' - C1' ANGL. DEV. = 6.1 DEGREES REMARK 500 C B 20 O4' - C1' - N1 ANGL. DEV. = 5.8 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 DG A 1 0.07 SIDE_CHAIN REMARK 500 DA A 6 0.07 SIDE_CHAIN REMARK 500 DA A 7 0.07 SIDE_CHAIN REMARK 500 C B 11 0.09 SIDE_CHAIN REMARK 500 C B 12 0.07 SIDE_CHAIN REMARK 500 A B 13 0.11 SIDE_CHAIN REMARK 500 A B 18 0.07 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL DBREF 219D A 1 10 PDB 219D 219D 1 10 DBREF 219D B 11 20 PDB 219D 219D 11 20 SEQRES 1 A 10 DG DC DT DA DT DA DA PST DG DG SEQRES 1 B 10 C C A U U A U A G C MODRES 219D PST A 8 DT THYMIDINE-5'-THIOPHOSPHATE HET PST A 8 20 HETNAM PST THYMIDINE-5'-THIOPHOSPHATE FORMUL 1 PST C10 H15 N2 O7 P S LINK O3' DA A 7 P PST A 8 1555 1555 1.60 LINK O3' PST A 8 P DG A 9 1555 1555 1.61 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 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 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 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 DG O5' : rot 180:sc= 0 USER MOD Single : A 3 DT C7 :methyl 150:sc= -0.81 (180deg=-0.81) USER MOD Single : A 5 DT C7 :methyl -30:sc= -0.025 (180deg=-0.906) USER MOD Single : A 10 DG O3' : rot 180:sc= 0 USER MOD Single : B 11 C O2' : rot -18:sc= 0.377 USER MOD Single : B 11 C O5' : rot 180:sc= 0 USER MOD Single : B 12 C O2' : rot -72:sc= 0.48 USER MOD Single : B 13 A O2' : rot -88:sc= 0.533 USER MOD Single : B 14 U O2' : rot -56:sc= 0.661 USER MOD Single : B 15 U O2' : rot -14:sc= 0.294 USER MOD Single : B 16 A O2' : rot -62:sc= 0.898 USER MOD Single : B 17 U O2' : rot -36:sc= 0.374 USER MOD Single : B 18 A O2' : rot -65:sc= 1.17 USER MOD Single : B 19 G O2' : rot -69:sc= 0.703 USER MOD Single : B 20 C O2' : rot 145:sc= 0.978 USER MOD Single : B 20 C O3' : rot 136:sc= 0.0791 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -4.865 -8.432 -13.042 1.00 4.40 O ATOM 2 C5' DG A 1 -3.884 -7.811 -12.241 1.00 4.40 C ATOM 3 C4' DG A 1 -3.584 -6.410 -12.772 1.00 4.40 C ATOM 4 O4' DG A 1 -4.701 -5.553 -12.718 1.00 4.40 O ATOM 5 C3' DG A 1 -2.537 -5.683 -11.938 1.00 4.40 C ATOM 6 O3' DG A 1 -1.254 -6.245 -12.073 1.00 4.40 O ATOM 7 C2' DG A 1 -2.681 -4.342 -12.599 1.00 4.40 C ATOM 8 C1' DG A 1 -4.169 -4.238 -12.795 1.00 4.40 C ATOM 9 N9 DG A 1 -4.862 -3.282 -11.907 1.00 4.40 N ATOM 10 C8 DG A 1 -5.826 -3.531 -10.972 1.00 4.40 C ATOM 11 N7 DG A 1 -6.331 -2.464 -10.414 1.00 4.40 N ATOM 12 C5 DG A 1 -5.669 -1.419 -11.062 1.00 4.40 C ATOM 13 C6 DG A 1 -5.809 -0.003 -10.939 1.00 4.40 C ATOM 14 O6 DG A 1 -6.609 0.612 -10.235 1.00 4.40 O ATOM 15 N1 DG A 1 -4.890 0.692 -11.707 1.00 4.40 N ATOM 16 C2 DG A 1 -3.976 0.109 -12.545 1.00 4.40 C ATOM 17 N2 DG A 1 -3.091 0.872 -13.169 1.00 4.40 N ATOM 18 N3 DG A 1 -3.885 -1.210 -12.724 1.00 4.40 N ATOM 19 C4 DG A 1 -4.753 -1.914 -11.955 1.00 4.40 C ATOM 0 H5' DG A 1 -2.973 -8.410 -12.238 1.00 4.40 H new ATOM 0 H5'' DG A 1 -4.230 -7.751 -11.209 1.00 4.40 H new ATOM 0 H4' DG A 1 -3.253 -6.595 -13.794 1.00 4.40 H new ATOM 0 H3' DG A 1 -2.665 -5.699 -10.856 1.00 4.40 H new ATOM 0 H2' DG A 1 -2.296 -3.537 -11.973 1.00 4.40 H new ATOM 0 H2'' DG A 1 -2.142 -4.295 -13.545 1.00 4.40 H new ATOM 0 HO5' DG A 1 -5.050 -9.330 -12.695 1.00 4.40 H new ATOM 0 H1' DG A 1 -4.351 -3.803 -13.778 1.00 4.40 H new ATOM 0 H8 DG A 1 -6.145 -4.530 -10.715 1.00 4.40 H new ATOM 0 H1 DG A 1 -4.894 1.710 -11.644 1.00 4.40 H new ATOM 0 H21 DG A 1 -2.405 0.450 -13.795 1.00 4.40 H new ATOM 0 H22 DG A 1 -3.095 1.881 -13.023 1.00 4.40 H new ATOM 20 P DC A 2 -0.115 -5.915 -10.998 1.00 4.40 P ATOM 21 OP1 DC A 2 1.044 -6.775 -11.309 1.00 4.40 O ATOM 22 OP2 DC A 2 -0.741 -5.999 -9.660 1.00 4.40 O ATOM 23 O5' DC A 2 0.275 -4.386 -11.297 1.00 4.40 O ATOM 24 C5' DC A 2 0.946 -4.003 -12.492 1.00 4.40 C ATOM 25 C4' DC A 2 1.221 -2.490 -12.539 1.00 4.40 C ATOM 26 O4' DC A 2 0.009 -1.792 -12.366 1.00 4.40 O ATOM 27 C3' DC A 2 2.167 -2.048 -11.422 1.00 4.40 C ATOM 28 O3' DC A 2 3.481 -1.917 -11.931 1.00 4.40 O ATOM 29 C2' DC A 2 1.617 -0.676 -10.965 1.00 4.40 C ATOM 30 C1' DC A 2 0.227 -0.635 -11.569 1.00 4.40 C ATOM 31 N1 DC A 2 -0.883 -0.386 -10.637 1.00 4.40 N ATOM 32 C2 DC A 2 -1.288 0.903 -10.305 1.00 4.40 C ATOM 33 O2 DC A 2 -0.671 1.894 -10.678 1.00 4.40 O ATOM 34 N3 DC A 2 -2.390 1.053 -9.513 1.00 4.40 N ATOM 35 C4 DC A 2 -3.080 -0.013 -9.106 1.00 4.40 C ATOM 36 N4 DC A 2 -4.170 0.179 -8.380 1.00 4.40 N ATOM 37 C5 DC A 2 -2.693 -1.343 -9.466 1.00 4.40 C ATOM 38 C6 DC A 2 -1.590 -1.459 -10.224 1.00 4.40 C ATOM 0 H5' DC A 2 0.343 -4.289 -13.354 1.00 4.40 H new ATOM 0 H5'' DC A 2 1.888 -4.545 -12.568 1.00 4.40 H new ATOM 0 H4' DC A 2 1.680 -2.273 -13.504 1.00 4.40 H new ATOM 0 H3' DC A 2 2.214 -2.762 -10.600 1.00 4.40 H new ATOM 0 H2' DC A 2 1.585 -0.598 -9.878 1.00 4.40 H new ATOM 0 H2'' DC A 2 2.236 0.145 -11.326 1.00 4.40 H new ATOM 0 H1' DC A 2 0.215 0.257 -12.195 1.00 4.40 H new ATOM 0 H41 DC A 2 -4.715 -0.620 -8.057 1.00 4.40 H new ATOM 0 H42 DC A 2 -4.465 1.126 -8.144 1.00 4.40 H new ATOM 0 H5 DC A 2 -3.257 -2.206 -9.146 1.00 4.40 H new ATOM 0 H6 DC A 2 -1.257 -2.445 -10.513 1.00 4.40 H new ATOM 39 P DT A 3 4.742 -1.519 -11.016 1.00 4.40 P ATOM 40 OP1 DT A 3 5.911 -1.419 -11.917 1.00 4.40 O ATOM 41 OP2 DT A 3 4.813 -2.497 -9.904 1.00 4.40 O ATOM 42 O5' DT A 3 4.446 -0.066 -10.379 1.00 4.40 O ATOM 43 C5' DT A 3 4.623 1.148 -11.103 1.00 4.40 C ATOM 44 C4' DT A 3 4.249 2.385 -10.257 1.00 4.40 C ATOM 45 O4' DT A 3 2.862 2.442 -9.981 1.00 4.40 O ATOM 46 C3' DT A 3 5.001 2.457 -8.922 1.00 4.40 C ATOM 47 O3' DT A 3 5.780 3.649 -8.852 1.00 4.40 O ATOM 48 C2' DT A 3 3.860 2.510 -7.920 1.00 4.40 C ATOM 49 C1' DT A 3 2.695 3.114 -8.742 1.00 4.40 C ATOM 50 N1 DT A 3 1.402 2.698 -8.146 1.00 4.40 N ATOM 51 C2 DT A 3 0.532 3.619 -7.563 1.00 4.40 C ATOM 52 O2 DT A 3 0.737 4.829 -7.565 1.00 4.40 O ATOM 53 N3 DT A 3 -0.603 3.097 -6.968 1.00 4.40 N ATOM 54 C4 DT A 3 -0.878 1.763 -6.797 1.00 4.40 C ATOM 55 O4 DT A 3 -1.858 1.400 -6.151 1.00 4.40 O ATOM 56 C5 DT A 3 0.067 0.868 -7.443 1.00 4.40 C ATOM 57 C7 DT A 3 -0.081 -0.632 -7.327 1.00 4.40 C ATOM 58 C6 DT A 3 1.141 1.364 -8.093 1.00 4.40 C ATOM 0 H5' DT A 3 4.010 1.126 -12.004 1.00 4.40 H new ATOM 0 H5'' DT A 3 5.661 1.230 -11.426 1.00 4.40 H new ATOM 0 H4' DT A 3 4.544 3.234 -10.873 1.00 4.40 H new ATOM 0 H3' DT A 3 5.696 1.633 -8.760 1.00 4.40 H new ATOM 0 H2' DT A 3 3.613 1.519 -7.539 1.00 4.40 H new ATOM 0 H2'' DT A 3 4.109 3.130 -7.059 1.00 4.40 H new ATOM 0 H1' DT A 3 2.697 4.203 -8.799 1.00 4.40 H new ATOM 0 H3 DT A 3 -1.297 3.762 -6.626 1.00 4.40 H new ATOM 0 H71 DT A 3 0.317 -1.107 -8.223 1.00 4.40 H new ATOM 0 H72 DT A 3 0.468 -0.985 -6.454 1.00 4.40 H new ATOM 0 H73 DT A 3 -1.135 -0.886 -7.220 1.00 4.40 H new ATOM 0 H6 DT A 3 1.815 0.680 -8.587 1.00 4.40 H new ATOM 59 P DA A 4 6.740 4.000 -7.597 1.00 4.40 P ATOM 60 OP1 DA A 4 7.748 4.962 -8.091 1.00 4.40 O ATOM 61 OP2 DA A 4 7.223 2.713 -7.042 1.00 4.40 O ATOM 62 O5' DA A 4 5.857 4.745 -6.446 1.00 4.40 O ATOM 63 C5' DA A 4 5.751 6.163 -6.406 1.00 4.40 C ATOM 64 C4' DA A 4 4.760 6.760 -5.376 1.00 4.40 C ATOM 65 O4' DA A 4 3.416 6.386 -5.665 1.00 4.40 O ATOM 66 C3' DA A 4 5.018 6.486 -3.874 1.00 4.40 C ATOM 67 O3' DA A 4 5.759 7.537 -3.247 1.00 4.40 O ATOM 68 C2' DA A 4 3.583 6.505 -3.358 1.00 4.40 C ATOM 69 C1' DA A 4 2.604 6.480 -4.498 1.00 4.40 C ATOM 70 N9 DA A 4 1.699 5.315 -4.379 1.00 4.40 N ATOM 71 C8 DA A 4 2.041 4.021 -4.598 1.00 4.40 C ATOM 72 N7 DA A 4 1.141 3.124 -4.311 1.00 4.40 N ATOM 73 C5 DA A 4 0.114 3.916 -3.813 1.00 4.40 C ATOM 74 C6 DA A 4 -1.133 3.601 -3.262 1.00 4.40 C ATOM 75 N6 DA A 4 -1.610 2.360 -3.234 1.00 4.40 N ATOM 76 N1 DA A 4 -1.846 4.575 -2.694 1.00 4.40 N ATOM 77 C2 DA A 4 -1.383 5.816 -2.700 1.00 4.40 C ATOM 78 N3 DA A 4 -0.238 6.256 -3.205 1.00 4.40 N ATOM 79 C4 DA A 4 0.463 5.245 -3.782 1.00 4.40 C ATOM 0 H5' DA A 4 5.461 6.510 -7.398 1.00 4.40 H new ATOM 0 H5'' DA A 4 6.741 6.572 -6.202 1.00 4.40 H new ATOM 0 H4' DA A 4 4.937 7.827 -5.508 1.00 4.40 H new ATOM 0 H3' DA A 4 5.595 5.581 -3.685 1.00 4.40 H new ATOM 0 H2' DA A 4 3.414 5.646 -2.709 1.00 4.40 H new ATOM 0 H2'' DA A 4 3.421 7.398 -2.754 1.00 4.40 H new ATOM 0 H1' DA A 4 1.962 7.361 -4.519 1.00 4.40 H new ATOM 0 H8 DA A 4 3.010 3.748 -4.990 1.00 4.40 H new ATOM 0 H61 DA A 4 -2.525 2.174 -2.822 1.00 4.40 H new ATOM 0 H62 DA A 4 -1.061 1.594 -3.624 1.00 4.40 H new ATOM 0 H2 DA A 4 -2.014 6.560 -2.237 1.00 4.40 H new ATOM 80 P DT A 5 6.145 7.544 -1.667 1.00 4.40 P ATOM 81 OP1 DT A 5 7.090 8.665 -1.443 1.00 4.40 O ATOM 82 OP2 DT A 5 6.569 6.177 -1.281 1.00 4.40 O ATOM 83 O5' DT A 5 4.798 7.888 -0.833 1.00 4.40 O ATOM 84 C5' DT A 5 4.190 9.171 -0.889 1.00 4.40 C ATOM 85 C4' DT A 5 2.853 9.230 -0.121 1.00 4.40 C ATOM 86 O4' DT A 5 1.983 8.273 -0.668 1.00 4.40 O ATOM 87 C3' DT A 5 2.997 8.988 1.389 1.00 4.40 C ATOM 88 O3' DT A 5 2.542 10.116 2.133 1.00 4.40 O ATOM 89 C2' DT A 5 2.058 7.797 1.617 1.00 4.40 C ATOM 90 C1' DT A 5 1.196 7.725 0.363 1.00 4.40 C ATOM 91 N1 DT A 5 0.966 6.298 0.041 1.00 4.40 N ATOM 92 C2 DT A 5 -0.225 5.665 0.379 1.00 4.40 C ATOM 93 O2 DT A 5 -1.172 6.257 0.889 1.00 4.40 O ATOM 94 N3 DT A 5 -0.274 4.304 0.147 1.00 4.40 N ATOM 95 C4 DT A 5 0.756 3.527 -0.339 1.00 4.40 C ATOM 96 O4 DT A 5 0.593 2.333 -0.568 1.00 4.40 O ATOM 97 C5 DT A 5 2.000 4.240 -0.534 1.00 4.40 C ATOM 98 C7 DT A 5 3.278 3.509 -0.867 1.00 4.40 C ATOM 99 C6 DT A 5 2.051 5.571 -0.355 1.00 4.40 C ATOM 0 H5' DT A 5 4.018 9.442 -1.931 1.00 4.40 H new ATOM 0 H5'' DT A 5 4.875 9.911 -0.476 1.00 4.40 H new ATOM 0 H4' DT A 5 2.460 10.241 -0.231 1.00 4.40 H new ATOM 0 H3' DT A 5 4.026 8.815 1.703 1.00 4.40 H new ATOM 0 H2' DT A 5 2.620 6.874 1.763 1.00 4.40 H new ATOM 0 H2'' DT A 5 1.447 7.942 2.508 1.00 4.40 H new ATOM 0 H1' DT A 5 0.245 8.242 0.487 1.00 4.40 H new ATOM 0 H3 DT A 5 -1.153 3.830 0.354 1.00 4.40 H new ATOM 0 H71 DT A 5 3.253 2.513 -0.425 1.00 4.40 H new ATOM 0 H72 DT A 5 3.377 3.424 -1.949 1.00 4.40 H new ATOM 0 H73 DT A 5 4.128 4.062 -0.467 1.00 4.40 H new ATOM 0 H6 DT A 5 2.985 6.084 -0.531 1.00 4.40 H new ATOM 100 P DA A 6 2.942 10.352 3.680 1.00 4.40 P ATOM 101 OP1 DA A 6 2.214 11.564 4.128 1.00 4.40 O ATOM 102 OP2 DA A 6 4.417 10.350 3.778 1.00 4.40 O ATOM 103 O5' DA A 6 2.370 9.089 4.512 1.00 4.40 O ATOM 104 C5' DA A 6 1.034 9.078 4.998 1.00 4.40 C ATOM 105 C4' DA A 6 0.605 7.792 5.742 1.00 4.40 C ATOM 106 O4' DA A 6 0.417 6.683 4.864 1.00 4.40 O ATOM 107 C3' DA A 6 1.548 7.314 6.860 1.00 4.40 C ATOM 108 O3' DA A 6 0.875 7.484 8.109 1.00 4.40 O ATOM 109 C2' DA A 6 1.785 5.850 6.504 1.00 4.40 C ATOM 110 C1' DA A 6 0.600 5.472 5.597 1.00 4.40 C ATOM 111 N9 DA A 6 0.870 4.342 4.673 1.00 4.40 N ATOM 112 C8 DA A 6 1.977 4.156 3.897 1.00 4.40 C ATOM 113 N7 DA A 6 1.901 3.193 3.022 1.00 4.40 N ATOM 114 C5 DA A 6 0.663 2.629 3.320 1.00 4.40 C ATOM 115 C6 DA A 6 0.010 1.485 2.841 1.00 4.40 C ATOM 116 N6 DA A 6 0.535 0.761 1.861 1.00 4.40 N ATOM 117 N1 DA A 6 -1.111 1.066 3.440 1.00 4.40 N ATOM 118 C2 DA A 6 -1.611 1.785 4.439 1.00 4.40 C ATOM 119 N3 DA A 6 -1.122 2.914 4.952 1.00 4.40 N ATOM 120 C4 DA A 6 0.045 3.278 4.358 1.00 4.40 C ATOM 0 H5' DA A 6 0.359 9.232 4.156 1.00 4.40 H new ATOM 0 H5'' DA A 6 0.904 9.926 5.670 1.00 4.40 H new ATOM 0 H4' DA A 6 -0.332 8.109 6.199 1.00 4.40 H new ATOM 0 H3' DA A 6 2.491 7.853 6.947 1.00 4.40 H new ATOM 0 H2' DA A 6 2.736 5.717 5.989 1.00 4.40 H new ATOM 0 H2'' DA A 6 1.816 5.225 7.397 1.00 4.40 H new ATOM 0 H1' DA A 6 -0.261 5.124 6.168 1.00 4.40 H new ATOM 0 H8 DA A 6 2.861 4.768 4.001 1.00 4.40 H new ATOM 0 H61 DA A 6 0.048 -0.069 1.523 1.00 4.40 H new ATOM 0 H62 DA A 6 1.426 1.035 1.446 1.00 4.40 H new ATOM 0 H2 DA A 6 -2.519 1.411 4.888 1.00 4.40 H new ATOM 121 P DA A 7 1.499 7.040 9.542 1.00 4.40 P ATOM 122 OP1 DA A 7 0.863 7.900 10.562 1.00 4.40 O ATOM 123 OP2 DA A 7 2.972 7.059 9.399 1.00 4.40 O ATOM 124 O5' DA A 7 1.005 5.515 9.759 1.00 4.40 O ATOM 125 C5' DA A 7 -0.337 5.237 10.129 1.00 4.40 C ATOM 126 C4' DA A 7 -0.818 3.806 9.812 1.00 4.40 C ATOM 127 O4' DA A 7 -0.570 3.416 8.449 1.00 4.40 O ATOM 128 C3' DA A 7 -0.416 2.677 10.784 1.00 4.40 C ATOM 129 O3' DA A 7 -1.450 1.746 11.050 1.00 4.40 O ATOM 130 C2' DA A 7 0.425 1.997 9.750 1.00 4.40 C ATOM 131 C1' DA A 7 -0.321 2.015 8.449 1.00 4.40 C ATOM 132 N9 DA A 7 0.549 1.499 7.366 1.00 4.40 N ATOM 133 C8 DA A 7 1.756 1.993 6.975 1.00 4.40 C ATOM 134 N7 DA A 7 2.319 1.403 5.962 1.00 4.40 N ATOM 135 C5 DA A 7 1.440 0.356 5.726 1.00 4.40 C ATOM 136 C6 DA A 7 1.460 -0.685 4.792 1.00 4.40 C ATOM 137 N6 DA A 7 2.367 -0.711 3.821 1.00 4.40 N ATOM 138 N1 DA A 7 0.533 -1.643 4.854 1.00 4.40 N ATOM 139 C2 DA A 7 -0.403 -1.556 5.795 1.00 4.40 C ATOM 140 N3 DA A 7 -0.564 -0.602 6.706 1.00 4.40 N ATOM 141 C4 DA A 7 0.398 0.349 6.617 1.00 4.40 C ATOM 0 H5' DA A 7 -0.992 5.945 9.621 1.00 4.40 H new ATOM 0 H5'' DA A 7 -0.447 5.412 11.199 1.00 4.40 H new ATOM 0 H4' DA A 7 -1.891 3.914 9.973 1.00 4.40 H new ATOM 0 H3' DA A 7 -0.048 3.003 11.757 1.00 4.40 H new ATOM 0 H2' DA A 7 1.383 2.506 9.645 1.00 4.40 H new ATOM 0 H2'' DA A 7 0.640 0.971 10.050 1.00 4.40 H new ATOM 0 H1' DA A 7 -1.213 1.403 8.315 1.00 4.40 H new ATOM 0 H8 DA A 7 2.220 2.828 7.478 1.00 4.40 H new ATOM 0 H61 DA A 7 2.370 -1.476 3.147 1.00 4.40 H new ATOM 0 H62 DA A 7 3.060 0.034 3.750 1.00 4.40 H new ATOM 0 H2 DA A 7 -1.122 -2.361 5.822 1.00 4.40 H new HETATM 142 P PST A 8 -2.444 1.824 12.306 1.00 4.40 P HETATM 143 OP1 PST A 8 -1.636 2.028 13.533 1.00 4.40 O HETATM 144 SP PST A 8 -4.043 3.152 11.835 1.00 4.40 S HETATM 145 O5' PST A 8 -3.011 0.309 12.324 1.00 4.40 O HETATM 146 C5' PST A 8 -2.309 -0.738 12.978 1.00 4.40 C HETATM 147 C4' PST A 8 -2.236 -2.077 12.214 1.00 4.40 C HETATM 148 O4' PST A 8 -1.451 -1.904 11.044 1.00 4.40 O HETATM 149 C3' PST A 8 -1.508 -3.131 13.073 1.00 4.40 C HETATM 150 O3' PST A 8 -2.288 -4.281 13.368 1.00 4.40 O HETATM 151 C2' PST A 8 -0.260 -3.414 12.281 1.00 4.40 C HETATM 152 C1' PST A 8 -0.661 -3.059 10.856 1.00 4.40 C HETATM 153 N1 PST A 8 0.507 -2.746 9.986 1.00 4.40 N HETATM 154 C2 PST A 8 0.702 -3.460 8.802 1.00 4.40 C HETATM 155 O2 PST A 8 0.040 -4.443 8.482 1.00 4.40 O HETATM 156 N3 PST A 8 1.736 -3.040 7.990 1.00 4.40 N HETATM 157 C4 PST A 8 2.628 -2.033 8.299 1.00 4.40 C HETATM 158 O4 PST A 8 3.491 -1.702 7.491 1.00 4.40 O HETATM 159 C5 PST A 8 2.428 -1.391 9.588 1.00 4.40 C HETATM 160 C5M PST A 8 3.476 -0.397 10.092 1.00 4.40 C HETATM 161 C6 PST A 8 1.376 -1.757 10.363 1.00 4.40 C HETATM 0 H5'' PST A 8 -1.292 -0.399 13.177 1.00 4.40 H new HETATM 0 H2'' PST A 8 0.580 -2.810 12.625 1.00 4.40 H new HETATM 0 HN3 PST A 8 1.850 -3.510 7.092 1.00 4.40 H new HETATM 0 H73 PST A 8 4.439 -0.899 10.184 1.00 4.40 H new HETATM 0 H72 PST A 8 3.563 0.429 9.386 1.00 4.40 H new HETATM 0 H71 PST A 8 3.174 -0.012 11.066 1.00 4.40 H new HETATM 0 H6 PST A 8 1.218 -1.249 11.314 1.00 4.40 H new HETATM 0 H5' PST A 8 -2.780 -0.918 13.944 1.00 4.40 H new HETATM 0 H4' PST A 8 -3.251 -2.395 11.977 1.00 4.40 H new HETATM 0 H3' PST A 8 -1.288 -2.770 14.078 1.00 4.40 H new HETATM 0 H2' PST A 8 0.042 -4.458 12.366 1.00 4.40 H new HETATM 0 H1' PST A 8 -1.167 -3.883 10.353 1.00 4.40 H new ATOM 162 P DG A 9 -1.794 -5.439 14.377 1.00 4.40 P ATOM 163 OP1 DG A 9 -2.971 -6.237 14.785 1.00 4.40 O ATOM 164 OP2 DG A 9 -0.960 -4.830 15.443 1.00 4.40 O ATOM 165 O5' DG A 9 -0.842 -6.404 13.498 1.00 4.40 O ATOM 166 C5' DG A 9 -1.389 -7.164 12.434 1.00 4.40 C ATOM 167 C4' DG A 9 -0.365 -7.887 11.543 1.00 4.40 C ATOM 168 O4' DG A 9 0.385 -6.990 10.731 1.00 4.40 O ATOM 169 C3' DG A 9 0.629 -8.837 12.238 1.00 4.40 C ATOM 170 O3' DG A 9 0.269 -10.179 11.911 1.00 4.40 O ATOM 171 C2' DG A 9 1.962 -8.367 11.646 1.00 4.40 C ATOM 172 C1' DG A 9 1.617 -7.604 10.372 1.00 4.40 C ATOM 173 N9 DG A 9 2.636 -6.586 10.022 1.00 4.40 N ATOM 174 C8 DG A 9 2.909 -5.446 10.715 1.00 4.40 C ATOM 175 N7 DG A 9 3.791 -4.662 10.166 1.00 4.40 N ATOM 176 C5 DG A 9 4.163 -5.357 9.016 1.00 4.40 C ATOM 177 C6 DG A 9 5.131 -5.035 8.017 1.00 4.40 C ATOM 178 O6 DG A 9 5.830 -4.027 7.923 1.00 4.40 O ATOM 179 N1 DG A 9 5.291 -6.041 7.081 1.00 4.40 N ATOM 180 C2 DG A 9 4.576 -7.207 7.068 1.00 4.40 C ATOM 181 N2 DG A 9 4.849 -8.089 6.115 1.00 4.40 N ATOM 182 N3 DG A 9 3.664 -7.528 7.995 1.00 4.40 N ATOM 183 C4 DG A 9 3.492 -6.556 8.937 1.00 4.40 C ATOM 0 H5' DG A 9 -1.987 -6.502 11.807 1.00 4.40 H new ATOM 0 H5'' DG A 9 -2.069 -7.906 12.853 1.00 4.40 H new ATOM 0 H4' DG A 9 -1.024 -8.516 10.944 1.00 4.40 H new ATOM 0 H3' DG A 9 0.657 -8.820 13.328 1.00 4.40 H new ATOM 0 H2' DG A 9 2.497 -7.728 12.349 1.00 4.40 H new ATOM 0 H2'' DG A 9 2.611 -9.215 11.428 1.00 4.40 H new ATOM 0 H1' DG A 9 1.568 -8.243 9.491 1.00 4.40 H new ATOM 0 H8 DG A 9 2.428 -5.209 11.653 1.00 4.40 H new ATOM 0 H1 DG A 9 5.990 -5.904 6.351 1.00 4.40 H new ATOM 0 H21 DG A 9 4.336 -8.970 6.073 1.00 4.40 H new ATOM 0 H22 DG A 9 5.571 -7.886 5.424 1.00 4.40 H new ATOM 184 P DG A 10 1.039 -11.497 12.447 1.00 4.40 P ATOM 185 OP1 DG A 10 0.108 -12.638 12.304 1.00 4.40 O ATOM 186 OP2 DG A 10 1.644 -11.217 13.765 1.00 4.40 O ATOM 187 O5' DG A 10 2.205 -11.692 11.365 1.00 4.40 O ATOM 188 C5' DG A 10 3.497 -12.127 11.735 1.00 4.40 C ATOM 189 C4' DG A 10 4.429 -11.929 10.536 1.00 4.40 C ATOM 190 O4' DG A 10 4.518 -10.552 10.222 1.00 4.40 O ATOM 191 C3' DG A 10 5.866 -12.387 10.798 1.00 4.40 C ATOM 192 O3' DG A 10 6.055 -13.735 10.416 1.00 4.40 O ATOM 193 C2' DG A 10 6.653 -11.448 9.870 1.00 4.40 C ATOM 194 C1' DG A 10 5.679 -10.328 9.445 1.00 4.40 C ATOM 195 N9 DG A 10 6.234 -8.987 9.719 1.00 4.40 N ATOM 196 C8 DG A 10 5.973 -8.177 10.786 1.00 4.40 C ATOM 197 N7 DG A 10 6.627 -7.052 10.790 1.00 4.40 N ATOM 198 C5 DG A 10 7.354 -7.099 9.606 1.00 4.40 C ATOM 199 C6 DG A 10 8.245 -6.144 9.036 1.00 4.40 C ATOM 200 O6 DG A 10 8.581 -5.048 9.480 1.00 4.40 O ATOM 201 N1 DG A 10 8.785 -6.578 7.843 1.00 4.40 N ATOM 202 C2 DG A 10 8.490 -7.763 7.231 1.00 4.40 C ATOM 203 N2 DG A 10 9.123 -8.046 6.097 1.00 4.40 N ATOM 204 N3 DG A 10 7.671 -8.680 7.761 1.00 4.40 N ATOM 205 C4 DG A 10 7.121 -8.278 8.940 1.00 4.40 C ATOM 0 H5' DG A 10 3.475 -13.176 12.030 1.00 4.40 H new ATOM 0 H5'' DG A 10 3.857 -11.561 12.594 1.00 4.40 H new ATOM 0 H4' DG A 10 3.998 -12.526 9.733 1.00 4.40 H new ATOM 0 H3' DG A 10 6.160 -12.344 11.847 1.00 4.40 H new ATOM 0 H2' DG A 10 7.520 -11.033 10.384 1.00 4.40 H new ATOM 0 H2'' DG A 10 7.026 -11.987 9.000 1.00 4.40 H new ATOM 0 HO3' DG A 10 6.982 -13.998 10.594 1.00 4.40 H new ATOM 0 H1' DG A 10 5.482 -10.354 8.373 1.00 4.40 H new ATOM 0 H8 DG A 10 5.278 -8.449 11.566 1.00 4.40 H new ATOM 0 H1 DG A 10 9.458 -5.966 7.382 1.00 4.40 H new ATOM 0 H21 DG A 10 8.930 -8.921 5.610 1.00 4.40 H new ATOM 0 H22 DG A 10 9.802 -7.388 5.714 1.00 4.40 H new TER 206 DG A 10 ATOM 207 O5' C B 11 15.353 -1.175 2.520 1.00 4.40 O ATOM 208 C5' C B 11 14.105 -1.580 1.998 1.00 4.40 C ATOM 209 C4' C B 11 13.846 -3.063 2.268 1.00 4.40 C ATOM 210 O4' C B 11 13.727 -3.340 3.656 1.00 4.40 O ATOM 211 C3' C B 11 12.554 -3.542 1.612 1.00 4.40 C ATOM 212 O3' C B 11 12.811 -3.874 0.267 1.00 4.40 O ATOM 213 C2' C B 11 12.309 -4.782 2.444 1.00 4.40 C ATOM 214 O2' C B 11 13.131 -5.807 1.922 1.00 4.40 O ATOM 215 C1' C B 11 12.767 -4.382 3.827 1.00 4.40 C ATOM 216 N1 C B 11 11.638 -3.965 4.702 1.00 4.40 N ATOM 217 C2 C B 11 11.001 -4.925 5.483 1.00 4.40 C ATOM 218 O2 C B 11 11.204 -6.128 5.341 1.00 4.40 O ATOM 219 N3 C B 11 10.143 -4.511 6.450 1.00 4.40 N ATOM 220 C4 C B 11 9.844 -3.225 6.607 1.00 4.40 C ATOM 221 N4 C B 11 9.049 -2.887 7.613 1.00 4.40 N ATOM 222 C5 C B 11 10.399 -2.223 5.750 1.00 4.40 C ATOM 223 C6 C B 11 11.292 -2.649 4.825 1.00 4.40 C ATOM 0 H5' C B 11 14.079 -1.394 0.924 1.00 4.40 H new ATOM 0 H5'' C B 11 13.310 -0.982 2.444 1.00 4.40 H new ATOM 0 H4' C B 11 14.707 -3.584 1.849 1.00 4.40 H new ATOM 0 H3' C B 11 11.726 -2.834 1.588 1.00 4.40 H new ATOM 0 H2' C B 11 11.278 -5.136 2.448 1.00 4.40 H new ATOM 0 HO2' C B 11 13.417 -5.567 1.016 1.00 4.40 H new ATOM 0 HO5' C B 11 15.493 -0.224 2.332 1.00 4.40 H new ATOM 0 H1' C B 11 13.212 -5.235 4.339 1.00 4.40 H new ATOM 0 H41 C B 11 8.801 -1.909 7.760 1.00 4.40 H new ATOM 0 H42 C B 11 8.686 -3.605 8.239 1.00 4.40 H new ATOM 0 H5 C B 11 10.121 -1.183 5.836 1.00 4.40 H new ATOM 0 H6 C B 11 11.745 -1.925 4.164 1.00 4.40 H new ATOM 224 P C B 12 11.664 -3.707 -0.814 1.00 4.40 P ATOM 225 OP1 C B 12 12.228 -4.040 -2.137 1.00 4.40 O ATOM 226 OP2 C B 12 11.059 -2.378 -0.591 1.00 4.40 O ATOM 227 O5' C B 12 10.637 -4.837 -0.371 1.00 4.40 O ATOM 228 C5' C B 12 10.909 -6.193 -0.663 1.00 4.40 C ATOM 229 C4' C B 12 10.007 -7.121 0.152 1.00 4.40 C ATOM 230 O4' C B 12 10.063 -6.863 1.546 1.00 4.40 O ATOM 231 C3' C B 12 8.539 -7.022 -0.230 1.00 4.40 C ATOM 232 O3' C B 12 8.346 -7.714 -1.440 1.00 4.40 O ATOM 233 C2' C B 12 7.941 -7.724 0.985 1.00 4.40 C ATOM 234 O2' C B 12 8.080 -9.122 0.827 1.00 4.40 O ATOM 235 C1' C B 12 8.804 -7.200 2.118 1.00 4.40 C ATOM 236 N1 C B 12 8.188 -6.080 2.883 1.00 4.40 N ATOM 237 C2 C B 12 7.325 -6.379 3.939 1.00 4.40 C ATOM 238 O2 C B 12 6.923 -7.521 4.150 1.00 4.40 O ATOM 239 N3 C B 12 6.917 -5.379 4.771 1.00 4.40 N ATOM 240 C4 C B 12 7.274 -4.121 4.525 1.00 4.40 C ATOM 241 N4 C B 12 6.900 -3.178 5.379 1.00 4.40 N ATOM 242 C5 C B 12 8.118 -3.773 3.426 1.00 4.40 C ATOM 243 C6 C B 12 8.549 -4.785 2.643 1.00 4.40 C ATOM 0 H5' C B 12 11.954 -6.413 -0.446 1.00 4.40 H new ATOM 0 H5'' C B 12 10.759 -6.377 -1.727 1.00 4.40 H new ATOM 0 H4' C B 12 10.398 -8.112 -0.078 1.00 4.40 H new ATOM 0 H3' C B 12 8.115 -6.034 -0.413 1.00 4.40 H new ATOM 0 H2' C B 12 6.879 -7.540 1.147 1.00 4.40 H new ATOM 0 HO2' C B 12 7.463 -9.436 0.133 1.00 4.40 H new ATOM 0 H1' C B 12 8.921 -7.971 2.879 1.00 4.40 H new ATOM 0 H41 C B 12 7.161 -2.206 5.212 1.00 4.40 H new ATOM 0 H42 C B 12 6.351 -3.424 6.203 1.00 4.40 H new ATOM 0 H5 C B 12 8.398 -2.748 3.231 1.00 4.40 H new ATOM 0 H6 C B 12 9.195 -4.565 1.806 1.00 4.40 H new ATOM 244 P A B 13 6.933 -7.697 -2.130 1.00 4.40 P ATOM 245 OP1 A B 13 7.073 -8.331 -3.459 1.00 4.40 O ATOM 246 OP2 A B 13 6.424 -6.310 -2.042 1.00 4.40 O ATOM 247 O5' A B 13 6.113 -8.660 -1.146 1.00 4.40 O ATOM 248 C5' A B 13 4.702 -8.632 -1.109 1.00 4.40 C ATOM 249 C4' A B 13 4.198 -9.185 0.230 1.00 4.40 C ATOM 250 O4' A B 13 4.896 -8.618 1.326 1.00 4.40 O ATOM 251 C3' A B 13 2.745 -8.780 0.418 1.00 4.40 C ATOM 252 O3' A B 13 1.860 -9.791 -0.027 1.00 4.40 O ATOM 253 C2' A B 13 2.602 -8.588 1.902 1.00 4.40 C ATOM 254 O2' A B 13 2.147 -9.791 2.486 1.00 4.40 O ATOM 255 C1' A B 13 3.987 -8.217 2.340 1.00 4.40 C ATOM 256 N9 A B 13 4.039 -6.781 2.648 1.00 4.40 N ATOM 257 C8 A B 13 4.700 -5.805 1.972 1.00 4.40 C ATOM 258 N7 A B 13 4.708 -4.642 2.571 1.00 4.40 N ATOM 259 C5 A B 13 3.904 -4.875 3.692 1.00 4.40 C ATOM 260 C6 A B 13 3.488 -4.078 4.767 1.00 4.40 C ATOM 261 N6 A B 13 3.977 -2.860 4.943 1.00 4.40 N ATOM 262 N1 A B 13 2.590 -4.551 5.640 1.00 4.40 N ATOM 263 C2 A B 13 2.136 -5.789 5.477 1.00 4.40 C ATOM 264 N3 A B 13 2.507 -6.676 4.561 1.00 4.40 N ATOM 265 C4 A B 13 3.418 -6.152 3.699 1.00 4.40 C ATOM 0 H5' A B 13 4.297 -9.223 -1.931 1.00 4.40 H new ATOM 0 H5'' A B 13 4.347 -7.611 -1.246 1.00 4.40 H new ATOM 0 H4' A B 13 4.340 -10.265 0.205 1.00 4.40 H new ATOM 0 H3' A B 13 2.499 -7.887 -0.157 1.00 4.40 H new ATOM 0 H2' A B 13 1.878 -7.828 2.195 1.00 4.40 H new ATOM 0 HO2' A B 13 1.167 -9.808 2.479 1.00 4.40 H new ATOM 0 H1' A B 13 4.273 -8.732 3.257 1.00 4.40 H new ATOM 0 H8 A B 13 5.179 -5.975 1.019 1.00 4.40 H new ATOM 0 H61 A B 13 3.663 -2.293 5.731 1.00 4.40 H new ATOM 0 H62 A B 13 4.668 -2.489 4.291 1.00 4.40 H new ATOM 0 H2 A B 13 1.375 -6.112 6.172 1.00 4.40 H new ATOM 266 P U B 14 1.051 -9.646 -1.384 1.00 4.40 P ATOM 267 OP1 U B 14 0.859 -10.984 -1.991 1.00 4.40 O ATOM 268 OP2 U B 14 1.610 -8.552 -2.190 1.00 4.40 O ATOM 269 O5' U B 14 -0.367 -9.168 -0.852 1.00 4.40 O ATOM 270 C5' U B 14 -1.066 -9.982 0.068 1.00 4.40 C ATOM 271 C4' U B 14 -1.338 -9.218 1.359 1.00 4.40 C ATOM 272 O4' U B 14 -0.229 -8.520 1.873 1.00 4.40 O ATOM 273 C3' U B 14 -2.462 -8.221 1.234 1.00 4.40 C ATOM 274 O3' U B 14 -3.652 -8.978 1.219 1.00 4.40 O ATOM 275 C2' U B 14 -2.200 -7.410 2.511 1.00 4.40 C ATOM 276 O2' U B 14 -2.946 -7.946 3.578 1.00 4.40 O ATOM 277 C1' U B 14 -0.688 -7.476 2.731 1.00 4.40 C ATOM 278 N1 U B 14 -0.104 -6.143 2.457 1.00 4.40 N ATOM 279 C2 U B 14 -0.176 -5.134 3.419 1.00 4.40 C ATOM 280 O2 U B 14 -0.783 -5.265 4.476 1.00 4.40 O ATOM 281 N3 U B 14 0.495 -3.962 3.125 1.00 4.40 N ATOM 282 C4 U B 14 1.169 -3.694 1.958 1.00 4.40 C ATOM 283 O4 U B 14 1.784 -2.646 1.797 1.00 4.40 O ATOM 284 C5 U B 14 1.090 -4.752 0.985 1.00 4.40 C ATOM 285 C6 U B 14 0.474 -5.915 1.259 1.00 4.40 C ATOM 0 H5' U B 14 -0.484 -10.878 0.285 1.00 4.40 H new ATOM 0 H5'' U B 14 -2.007 -10.312 -0.371 1.00 4.40 H new ATOM 0 H4' U B 14 -1.607 -10.019 2.048 1.00 4.40 H new ATOM 0 H3' U B 14 -2.532 -7.573 0.360 1.00 4.40 H new ATOM 0 H2' U B 14 -2.515 -6.369 2.435 1.00 4.40 H new ATOM 0 HO2' U B 14 -3.895 -7.966 3.336 1.00 4.40 H new ATOM 0 H1' U B 14 -0.388 -7.709 3.753 1.00 4.40 H new ATOM 0 H3 U B 14 0.489 -3.232 3.837 1.00 4.40 H new ATOM 0 H5 U B 14 1.536 -4.608 0.012 1.00 4.40 H new ATOM 0 H6 U B 14 0.441 -6.685 0.503 1.00 4.40 H new ATOM 286 P U B 15 -5.019 -8.325 0.780 1.00 4.40 P ATOM 287 OP1 U B 15 -5.977 -9.422 0.555 1.00 4.40 O ATOM 288 OP2 U B 15 -4.723 -7.371 -0.315 1.00 4.40 O ATOM 289 O5' U B 15 -5.369 -7.546 2.126 1.00 4.40 O ATOM 290 C5' U B 15 -6.310 -6.497 2.132 1.00 4.40 C ATOM 291 C4' U B 15 -6.155 -5.689 3.425 1.00 4.40 C ATOM 292 O4' U B 15 -4.794 -5.492 3.795 1.00 4.40 O ATOM 293 C3' U B 15 -6.751 -4.305 3.222 1.00 4.40 C ATOM 294 O3' U B 15 -8.129 -4.344 3.517 1.00 4.40 O ATOM 295 C2' U B 15 -5.981 -3.504 4.257 1.00 4.40 C ATOM 296 O2' U B 15 -6.611 -3.698 5.508 1.00 4.40 O ATOM 297 C1' U B 15 -4.600 -4.140 4.221 1.00 4.40 C ATOM 298 N1 U B 15 -3.706 -3.369 3.310 1.00 4.40 N ATOM 299 C2 U B 15 -3.105 -2.202 3.781 1.00 4.40 C ATOM 300 O2 U B 15 -3.442 -1.648 4.822 1.00 4.40 O ATOM 301 N3 U B 15 -2.117 -1.653 2.991 1.00 4.40 N ATOM 302 C4 U B 15 -1.731 -2.128 1.757 1.00 4.40 C ATOM 303 O4 U B 15 -0.916 -1.536 1.061 1.00 4.40 O ATOM 304 C5 U B 15 -2.393 -3.330 1.328 1.00 4.40 C ATOM 305 C6 U B 15 -3.371 -3.874 2.089 1.00 4.40 C ATOM 0 H5' U B 15 -7.321 -6.899 2.059 1.00 4.40 H new ATOM 0 H5'' U B 15 -6.160 -5.852 1.266 1.00 4.40 H new ATOM 0 H4' U B 15 -6.659 -6.257 4.207 1.00 4.40 H new ATOM 0 H3' U B 15 -6.674 -3.901 2.213 1.00 4.40 H new ATOM 0 H2' U B 15 -5.937 -2.430 4.079 1.00 4.40 H new ATOM 0 HO2' U B 15 -7.492 -4.104 5.371 1.00 4.40 H new ATOM 0 H1' U B 15 -4.111 -4.129 5.195 1.00 4.40 H new ATOM 0 H3 U B 15 -1.633 -0.829 3.349 1.00 4.40 H new ATOM 0 H5 U B 15 -2.110 -3.799 0.398 1.00 4.40 H new ATOM 0 H6 U B 15 -3.904 -4.737 1.717 1.00 4.40 H new ATOM 306 P A B 16 -9.172 -3.516 2.655 1.00 4.40 P ATOM 307 OP1 A B 16 -10.518 -3.784 3.206 1.00 4.40 O ATOM 308 OP2 A B 16 -8.918 -3.768 1.220 1.00 4.40 O ATOM 309 O5' A B 16 -8.792 -2.003 2.962 1.00 4.40 O ATOM 310 C5' A B 16 -9.126 -1.405 4.197 1.00 4.40 C ATOM 311 C4' A B 16 -8.398 -0.074 4.333 1.00 4.40 C ATOM 312 O4' A B 16 -7.000 -0.297 4.196 1.00 4.40 O ATOM 313 C3' A B 16 -8.804 0.948 3.270 1.00 4.40 C ATOM 314 O3' A B 16 -9.902 1.749 3.690 1.00 4.40 O ATOM 315 C2' A B 16 -7.510 1.755 3.150 1.00 4.40 C ATOM 316 O2' A B 16 -7.579 2.919 3.948 1.00 4.40 O ATOM 317 C1' A B 16 -6.393 0.839 3.605 1.00 4.40 C ATOM 318 N9 A B 16 -5.449 0.527 2.516 1.00 4.40 N ATOM 319 C8 A B 16 -5.296 -0.601 1.770 1.00 4.40 C ATOM 320 N7 A B 16 -4.289 -0.575 0.940 1.00 4.40 N ATOM 321 C5 A B 16 -3.758 0.689 1.135 1.00 4.40 C ATOM 322 C6 A B 16 -2.685 1.388 0.563 1.00 4.40 C ATOM 323 N6 A B 16 -1.841 0.818 -0.290 1.00 4.40 N ATOM 324 N1 A B 16 -2.498 2.676 0.874 1.00 4.40 N ATOM 325 C2 A B 16 -3.303 3.231 1.768 1.00 4.40 C ATOM 326 N3 A B 16 -4.311 2.687 2.427 1.00 4.40 N ATOM 327 C4 A B 16 -4.486 1.389 2.057 1.00 4.40 C ATOM 0 H5' A B 16 -8.852 -2.067 5.019 1.00 4.40 H new ATOM 0 H5'' A B 16 -10.203 -1.250 4.258 1.00 4.40 H new ATOM 0 H4' A B 16 -8.664 0.328 5.311 1.00 4.40 H new ATOM 0 H3' A B 16 -9.153 0.514 2.333 1.00 4.40 H new ATOM 0 H2' A B 16 -7.340 2.090 2.127 1.00 4.40 H new ATOM 0 HO2' A B 16 -8.312 3.488 3.634 1.00 4.40 H new ATOM 0 H1' A B 16 -5.764 1.328 4.349 1.00 4.40 H new ATOM 0 H8 A B 16 -5.956 -1.451 1.858 1.00 4.40 H new ATOM 0 H61 A B 16 -1.072 1.359 -0.685 1.00 4.40 H new ATOM 0 H62 A B 16 -1.962 -0.161 -0.550 1.00 4.40 H new ATOM 0 H2 A B 16 -3.109 4.270 1.988 1.00 4.40 H new ATOM 328 P U B 17 -10.669 2.690 2.655 1.00 4.40 P ATOM 329 OP1 U B 17 -11.961 3.053 3.271 1.00 4.40 O ATOM 330 OP2 U B 17 -10.659 2.014 1.341 1.00 4.40 O ATOM 331 O5' U B 17 -9.755 3.994 2.563 1.00 4.40 O ATOM 332 C5' U B 17 -9.816 4.821 1.416 1.00 4.40 C ATOM 333 C4' U B 17 -8.768 5.928 1.528 1.00 4.40 C ATOM 334 O4' U B 17 -7.488 5.399 1.854 1.00 4.40 O ATOM 335 C3' U B 17 -8.633 6.736 0.228 1.00 4.40 C ATOM 336 O3' U B 17 -9.410 7.917 0.263 1.00 4.40 O ATOM 337 C2' U B 17 -7.170 7.130 0.313 1.00 4.40 C ATOM 338 O2' U B 17 -7.077 8.213 1.224 1.00 4.40 O ATOM 339 C1' U B 17 -6.534 5.902 0.931 1.00 4.40 C ATOM 340 N1 U B 17 -6.047 4.877 -0.025 1.00 4.40 N ATOM 341 C2 U B 17 -4.880 5.176 -0.723 1.00 4.40 C ATOM 342 O2 U B 17 -4.339 6.279 -0.690 1.00 4.40 O ATOM 343 N3 U B 17 -4.344 4.165 -1.473 1.00 4.40 N ATOM 344 C4 U B 17 -4.900 2.934 -1.688 1.00 4.40 C ATOM 345 O4 U B 17 -4.416 2.152 -2.498 1.00 4.40 O ATOM 346 C5 U B 17 -6.059 2.659 -0.883 1.00 4.40 C ATOM 347 C6 U B 17 -6.581 3.614 -0.075 1.00 4.40 C ATOM 0 H5' U B 17 -10.811 5.256 1.321 1.00 4.40 H new ATOM 0 H5'' U B 17 -9.640 4.229 0.518 1.00 4.40 H new ATOM 0 H4' U B 17 -9.116 6.586 2.324 1.00 4.40 H new ATOM 0 H3' U B 17 -8.947 6.190 -0.662 1.00 4.40 H new ATOM 0 H2' U B 17 -6.715 7.422 -0.633 1.00 4.40 H new ATOM 0 HO2' U B 17 -7.865 8.788 1.131 1.00 4.40 H new ATOM 0 H1' U B 17 -5.603 6.188 1.421 1.00 4.40 H new ATOM 0 H3 U B 17 -3.443 4.347 -1.914 1.00 4.40 H new ATOM 0 H5 U B 17 -6.518 1.682 -0.922 1.00 4.40 H new ATOM 0 H6 U B 17 -7.435 3.376 0.542 1.00 4.40 H new ATOM 348 P A B 18 -9.759 8.711 -1.078 1.00 4.40 P ATOM 349 OP1 A B 18 -10.254 10.037 -0.658 1.00 4.40 O ATOM 350 OP2 A B 18 -10.606 7.834 -1.911 1.00 4.40 O ATOM 351 O5' A B 18 -8.360 8.916 -1.843 1.00 4.40 O ATOM 352 C5' A B 18 -7.551 10.040 -1.576 1.00 4.40 C ATOM 353 C4' A B 18 -6.331 10.116 -2.507 1.00 4.40 C ATOM 354 O4' A B 18 -5.365 9.078 -2.340 1.00 4.40 O ATOM 355 C3' A B 18 -6.704 10.269 -3.978 1.00 4.40 C ATOM 356 O3' A B 18 -6.897 11.657 -4.208 1.00 4.40 O ATOM 357 C2' A B 18 -5.436 9.699 -4.613 1.00 4.40 C ATOM 358 O2' A B 18 -4.521 10.734 -4.913 1.00 4.40 O ATOM 359 C1' A B 18 -4.801 8.762 -3.605 1.00 4.40 C ATOM 360 N9 A B 18 -5.040 7.350 -3.928 1.00 4.40 N ATOM 361 C8 A B 18 -6.005 6.505 -3.489 1.00 4.40 C ATOM 362 N7 A B 18 -5.840 5.253 -3.846 1.00 4.40 N ATOM 363 C5 A B 18 -4.648 5.295 -4.571 1.00 4.40 C ATOM 364 C6 A B 18 -3.813 4.339 -5.195 1.00 4.40 C ATOM 365 N6 A B 18 -4.044 3.030 -5.150 1.00 4.40 N ATOM 366 N1 A B 18 -2.685 4.749 -5.807 1.00 4.40 N ATOM 367 C2 A B 18 -2.404 6.049 -5.801 1.00 4.40 C ATOM 368 N3 A B 18 -3.085 7.031 -5.265 1.00 4.40 N ATOM 369 C4 A B 18 -4.188 6.577 -4.648 1.00 4.40 C ATOM 0 H5' A B 18 -7.213 10.004 -0.540 1.00 4.40 H new ATOM 0 H5'' A B 18 -8.146 10.947 -1.686 1.00 4.40 H new ATOM 0 H4' A B 18 -5.840 11.033 -2.180 1.00 4.40 H new ATOM 0 H3' A B 18 -7.606 9.784 -4.350 1.00 4.40 H new ATOM 0 H2' A B 18 -5.688 9.180 -5.538 1.00 4.40 H new ATOM 0 HO2' A B 18 -4.904 11.321 -5.598 1.00 4.40 H new ATOM 0 H1' A B 18 -3.719 8.896 -3.611 1.00 4.40 H new ATOM 0 H8 A B 18 -6.843 6.836 -2.893 1.00 4.40 H new ATOM 0 H61 A B 18 -3.409 2.384 -5.618 1.00 4.40 H new ATOM 0 H62 A B 18 -4.856 2.673 -4.647 1.00 4.40 H new ATOM 0 H2 A B 18 -1.492 6.333 -6.306 1.00 4.40 H new ATOM 370 P G B 19 -7.388 12.273 -5.596 1.00 4.40 P ATOM 371 OP1 G B 19 -7.400 13.748 -5.475 1.00 4.40 O ATOM 372 OP2 G B 19 -8.606 11.577 -6.050 1.00 4.40 O ATOM 373 O5' G B 19 -6.232 11.923 -6.631 1.00 4.40 O ATOM 374 C5' G B 19 -6.516 11.218 -7.816 1.00 4.40 C ATOM 375 C4' G B 19 -5.192 10.760 -8.399 1.00 4.40 C ATOM 376 O4' G B 19 -4.641 9.784 -7.543 1.00 4.40 O ATOM 377 C3' G B 19 -5.361 10.091 -9.751 1.00 4.40 C ATOM 378 O3' G B 19 -5.467 11.057 -10.779 1.00 4.40 O ATOM 379 C2' G B 19 -4.072 9.271 -9.772 1.00 4.40 C ATOM 380 O2' G B 19 -3.003 10.099 -10.184 1.00 4.40 O ATOM 381 C1' G B 19 -3.932 8.836 -8.317 1.00 4.40 C ATOM 382 N9 G B 19 -4.483 7.474 -8.159 1.00 4.40 N ATOM 383 C8 G B 19 -5.654 7.094 -7.576 1.00 4.40 C ATOM 384 N7 G B 19 -5.891 5.813 -7.590 1.00 4.40 N ATOM 385 C5 G B 19 -4.750 5.292 -8.195 1.00 4.40 C ATOM 386 C6 G B 19 -4.358 3.938 -8.419 1.00 4.40 C ATOM 387 O6 G B 19 -4.998 2.918 -8.164 1.00 4.40 O ATOM 388 N1 G B 19 -3.110 3.836 -9.003 1.00 4.40 N ATOM 389 C2 G B 19 -2.322 4.899 -9.348 1.00 4.40 C ATOM 390 N2 G B 19 -1.191 4.661 -9.998 1.00 4.40 N ATOM 391 N3 G B 19 -2.684 6.169 -9.163 1.00 4.40 N ATOM 392 C4 G B 19 -3.891 6.299 -8.557 1.00 4.40 C ATOM 0 H5' G B 19 -7.047 11.855 -8.523 1.00 4.40 H new ATOM 0 H5'' G B 19 -7.161 10.364 -7.609 1.00 4.40 H new ATOM 0 H4' G B 19 -4.562 11.643 -8.506 1.00 4.40 H new ATOM 0 H3' G B 19 -6.259 9.492 -9.904 1.00 4.40 H new ATOM 0 H2' G B 19 -4.076 8.423 -10.457 1.00 4.40 H new ATOM 0 HO2' G B 19 -3.116 10.333 -11.129 1.00 4.40 H new ATOM 0 H1' G B 19 -2.892 8.800 -7.994 1.00 4.40 H new ATOM 0 H8 G B 19 -6.337 7.804 -7.134 1.00 4.40 H new ATOM 0 H1 G B 19 -2.750 2.900 -9.190 1.00 4.40 H new ATOM 0 H21 G B 19 -0.585 5.436 -10.267 1.00 4.40 H new ATOM 0 H22 G B 19 -0.927 3.703 -10.229 1.00 4.40 H new ATOM 393 P C B 20 -5.705 10.609 -12.284 1.00 4.40 P ATOM 394 OP1 C B 20 -6.025 11.819 -13.071 1.00 4.40 O ATOM 395 OP2 C B 20 -6.636 9.463 -12.273 1.00 4.40 O ATOM 396 O5' C B 20 -4.248 10.106 -12.683 1.00 4.40 O ATOM 397 C5' C B 20 -4.008 9.390 -13.874 1.00 4.40 C ATOM 398 C4' C B 20 -2.688 8.641 -13.673 1.00 4.40 C ATOM 399 O4' C B 20 -2.834 7.796 -12.541 1.00 4.40 O ATOM 400 C3' C B 20 -2.353 7.738 -14.861 1.00 4.40 C ATOM 401 O3' C B 20 -0.957 7.518 -14.917 1.00 4.40 O ATOM 402 C2' C B 20 -3.085 6.458 -14.470 1.00 4.40 C ATOM 403 O2' C B 20 -2.589 5.298 -15.108 1.00 4.40 O ATOM 404 C1' C B 20 -2.936 6.446 -12.961 1.00 4.40 C ATOM 405 N1 C B 20 -4.042 5.688 -12.318 1.00 4.40 N ATOM 406 C2 C B 20 -3.968 4.301 -12.321 1.00 4.40 C ATOM 407 O2 C B 20 -3.038 3.719 -12.877 1.00 4.40 O ATOM 408 N3 C B 20 -4.957 3.572 -11.730 1.00 4.40 N ATOM 409 C4 C B 20 -5.997 4.196 -11.180 1.00 4.40 C ATOM 410 N4 C B 20 -6.898 3.470 -10.532 1.00 4.40 N ATOM 411 C5 C B 20 -6.162 5.607 -11.260 1.00 4.40 C ATOM 412 C6 C B 20 -5.160 6.312 -11.834 1.00 4.40 C ATOM 0 H5' C B 20 -3.944 10.066 -14.727 1.00 4.40 H new ATOM 0 H5'' C B 20 -4.822 8.694 -14.079 1.00 4.40 H new ATOM 0 H4' C B 20 -1.896 9.380 -13.555 1.00 4.40 H new ATOM 0 H3' C B 20 -2.636 8.135 -15.836 1.00 4.40 H new ATOM 0 H2' C B 20 -4.126 6.446 -14.792 1.00 4.40 H new ATOM 0 HO2' C B 20 -2.653 4.535 -14.496 1.00 4.40 H new ATOM 0 HO3' C B 20 -0.782 6.571 -15.098 1.00 4.40 H new ATOM 0 H1' C B 20 -2.035 5.919 -12.649 1.00 4.40 H new ATOM 0 H41 C B 20 -7.704 3.923 -10.102 1.00 4.40 H new ATOM 0 H42 C B 20 -6.785 2.459 -10.464 1.00 4.40 H new ATOM 0 H5 C B 20 -7.048 6.094 -10.879 1.00 4.40 H new ATOM 0 H6 C B 20 -5.244 7.386 -11.912 1.00 4.40 H new TER 413 C B 20 CONECT 129 142 CONECT 142 129 143 144 145 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 150 149 162 CONECT 151 149 152 CONECT 152 148 151 153 CONECT 153 152 154 161 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 160 159 CONECT 161 153 159 CONECT 162 150 END