USER MOD reduce.3.24.130724 H: found=0, std=0, add=200, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 200 hydrogens (0 hets) HEADER RNA 23-JUL-14 2MS5 TITLE STRUCTURAL DYNAMICS OF DOUBLE-HELICAL RNA HAVING CAG MOTIF COMPND MOL_ID: 1; COMPND 2 MOLECULE: RNA_(5'-R(P*CP*CP*GP*CP*AP*GP*CP*GP*G)-3'); COMPND 3 CHAIN: S, A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES KEYWDS CAG REPEAT EXPANSION, TRINUCLEOTIDE REPEATS, HUNTINGTON'S DISEASE, KEYWDS 2 RNA EXPDTA SOLUTION NMR AUTHOR A.KUMAR,A.TAWANI REVDAT 2 15-JUL-15 2MS5 1 JRNL REVDAT 1 28-JAN-15 2MS5 0 JRNL AUTH A.TAWANI,A.KUMAR JRNL TITL STRUCTURAL INSIGHTS REVEAL THE DYNAMICS OF THE REPEATING JRNL TITL 2 R(CAG) TRANSCRIPT FOUND IN HUNTINGTON'S DISEASE (HD) AND JRNL TITL 3 SPINOCEREBELLAR ATAXIAS (SCAS) JRNL REF PLOS ONE V. 10 31788 2015 JRNL REFN ESSN 1932-6203 JRNL PMID 26148061 JRNL DOI 10.1371/JOURNAL.PONE.0131788 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : DISCOVER REMARK 3 AUTHORS : MOLECULAR SIMULATIONS INC. REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2MS5 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 31-JUL-14. REMARK 100 THE RCSB ID CODE IS RCSB103986. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 308 REMARK 210 PH : 7.2 REMARK 210 IONIC STRENGTH : 0.018 REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 2.35 MM RNA (5'-R(P*CP*CP*GP*CP* REMARK 210 AP*GP*CP*GP*G)-3')-1, 90% H2O/10% REMARK 210 D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D DQF-COSY; 2D 1H-1H NOESY; 2D REMARK 210 1H-1H TOCSY REMARK 210 SPECTROMETER FIELD STRENGTH : 400 MHZ; 700 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : DISCOVER REMARK 210 METHOD USED : MOLECULAR DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NULL 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 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: S, A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 C S 1 P C S 1 OP1 0.116 REMARK 500 C S 1 C2' C S 1 C1' 0.067 REMARK 500 C S 1 C5 C S 1 C6 0.066 REMARK 500 C S 2 C4 C S 2 C5 -0.050 REMARK 500 C S 1 O3' C S 2 P -0.080 REMARK 500 G S 3 N7 G S 3 C8 0.055 REMARK 500 C S 4 O4' C S 4 C4' -0.101 REMARK 500 C S 4 C4 C S 4 C5 -0.062 REMARK 500 C S 4 C5 C S 4 C6 0.070 REMARK 500 A S 5 P A S 5 O5' -0.074 REMARK 500 A S 5 N3 A S 5 C4 -0.041 REMARK 500 A S 5 C6 A S 5 N6 0.084 REMARK 500 A S 5 O3' G S 6 P -0.079 REMARK 500 C S 7 P C S 7 O5' -0.095 REMARK 500 C S 7 C2 C S 7 N3 0.084 REMARK 500 C S 7 C5 C S 7 C6 0.054 REMARK 500 G S 8 C6 G S 8 N1 -0.045 REMARK 500 G S 9 N1 G S 9 C2 -0.055 REMARK 500 C A 1 P C A 1 OP2 0.104 REMARK 500 C A 2 P C A 2 O5' -0.093 REMARK 500 C A 2 C5 C A 2 C6 0.060 REMARK 500 G A 3 P G A 3 O5' -0.090 REMARK 500 G A 3 C6 G A 3 N1 -0.047 REMARK 500 G A 3 N7 G A 3 C8 0.059 REMARK 500 C A 4 P C A 4 OP1 0.116 REMARK 500 C A 4 P C A 4 O5' -0.079 REMARK 500 C A 4 N1 C A 4 C6 -0.056 REMARK 500 A A 5 N9 A A 5 C4 -0.047 REMARK 500 G A 6 C2 G A 6 N3 0.060 REMARK 500 G A 6 C5 G A 6 N7 -0.061 REMARK 500 G A 6 N7 G A 6 C8 0.083 REMARK 500 G A 6 C8 G A 6 N9 -0.075 REMARK 500 G A 6 N9 G A 6 C4 0.054 REMARK 500 A A 5 O3' G A 6 P -0.093 REMARK 500 C A 7 N1 C A 7 C6 -0.038 REMARK 500 C A 7 C4 C A 7 C5 -0.068 REMARK 500 G A 8 C4 G A 8 C5 0.083 REMARK 500 G A 9 C6 G A 9 N1 -0.046 REMARK 500 G A 9 C5 G A 9 N7 -0.044 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 C S 1 OP1 - P - OP2 ANGL. DEV. = -13.5 DEGREES REMARK 500 C S 1 O5' - P - OP1 ANGL. DEV. = -6.8 DEGREES REMARK 500 C S 1 C2 - N3 - C4 ANGL. DEV. = 3.9 DEGREES REMARK 500 C S 2 OP1 - P - OP2 ANGL. DEV. = -12.2 DEGREES REMARK 500 C S 2 O5' - C5' - C4' ANGL. DEV. = -5.1 DEGREES REMARK 500 C S 2 N1 - C2 - O2 ANGL. DEV. = 4.8 DEGREES REMARK 500 G S 3 C3' - C2' - C1' ANGL. DEV. = -4.5 DEGREES REMARK 500 G S 3 N3 - C4 - C5 ANGL. DEV. = -5.2 DEGREES REMARK 500 G S 3 C5 - C6 - O6 ANGL. DEV. = -5.6 DEGREES REMARK 500 C S 4 C2 - N3 - C4 ANGL. DEV. = 4.9 DEGREES REMARK 500 C S 4 N1 - C2 - O2 ANGL. DEV. = 3.8 DEGREES REMARK 500 C S 4 N3 - C4 - N4 ANGL. DEV. = 5.6 DEGREES REMARK 500 C S 4 C5 - C4 - N4 ANGL. DEV. = -4.5 DEGREES REMARK 500 A S 5 OP1 - P - OP2 ANGL. DEV. = -13.6 DEGREES REMARK 500 A S 5 N9 - C1' - C2' ANGL. DEV. = -7.0 DEGREES REMARK 500 A S 5 N1 - C2 - N3 ANGL. DEV. = -5.0 DEGREES REMARK 500 A S 5 C2 - N3 - C4 ANGL. DEV. = 5.7 DEGREES REMARK 500 A S 5 C4 - C5 - C6 ANGL. DEV. = -3.1 DEGREES REMARK 500 A S 5 C5 - C6 - N1 ANGL. DEV. = 3.9 DEGREES REMARK 500 A S 5 N9 - C4 - C5 ANGL. DEV. = -4.0 DEGREES REMARK 500 A S 5 N3 - C4 - N9 ANGL. DEV. = 5.5 DEGREES REMARK 500 G S 6 C2 - N3 - C4 ANGL. DEV. = 3.5 DEGREES REMARK 500 G S 6 N3 - C4 - C5 ANGL. DEV. = -5.0 DEGREES REMARK 500 G S 6 C4 - C5 - N7 ANGL. DEV. = -2.9 DEGREES REMARK 500 G S 6 C8 - N9 - C4 ANGL. DEV. = -3.0 DEGREES REMARK 500 G S 6 N9 - C4 - C5 ANGL. DEV. = 2.6 DEGREES REMARK 500 G S 6 N1 - C6 - O6 ANGL. DEV. = 6.0 DEGREES REMARK 500 G S 6 C5 - C6 - O6 ANGL. DEV. = -4.5 DEGREES REMARK 500 C S 7 OP1 - P - OP2 ANGL. DEV. = -10.0 DEGREES REMARK 500 C S 7 O4' - C1' - N1 ANGL. DEV. = 4.4 DEGREES REMARK 500 G S 8 C6 - N1 - C2 ANGL. DEV. = 4.1 DEGREES REMARK 500 G S 9 N3 - C4 - C5 ANGL. DEV. = -3.9 DEGREES REMARK 500 G S 9 C4 - C5 - N7 ANGL. DEV. = -3.5 DEGREES REMARK 500 C A 1 OP1 - P - OP2 ANGL. DEV. = -13.6 DEGREES REMARK 500 C A 1 C6 - N1 - C2 ANGL. DEV. = 3.3 DEGREES REMARK 500 C A 1 N1 - C2 - N3 ANGL. DEV. = -4.3 DEGREES REMARK 500 C A 1 C2 - N3 - C4 ANGL. DEV. = 7.2 DEGREES REMARK 500 C A 1 N3 - C4 - C5 ANGL. DEV. = -5.9 DEGREES REMARK 500 C A 1 N3 - C4 - N4 ANGL. DEV. = 5.4 DEGREES REMARK 500 G A 3 OP1 - P - OP2 ANGL. DEV. = -9.2 DEGREES REMARK 500 G A 3 N3 - C4 - C5 ANGL. DEV. = -6.9 DEGREES REMARK 500 G A 3 C4 - C5 - C6 ANGL. DEV. = 4.3 DEGREES REMARK 500 G A 3 N7 - C8 - N9 ANGL. DEV. = 4.4 DEGREES REMARK 500 G A 3 C8 - N9 - C4 ANGL. DEV. = -4.9 DEGREES REMARK 500 G A 3 N9 - C4 - C5 ANGL. DEV. = 4.4 DEGREES REMARK 500 C A 4 OP1 - P - OP2 ANGL. DEV. = -10.3 DEGREES REMARK 500 C A 4 N1 - C2 - N3 ANGL. DEV. = -5.6 DEGREES REMARK 500 C A 4 C2 - N3 - C4 ANGL. DEV. = 7.6 DEGREES REMARK 500 C A 4 N3 - C4 - C5 ANGL. DEV. = -5.4 DEGREES REMARK 500 C A 4 N3 - C2 - O2 ANGL. DEV. = 4.7 DEGREES REMARK 500 REMARK 500 THIS ENTRY HAS 91 ANGLE DEVIATIONS. 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 A S 5 0.06 SIDE CHAIN REMARK 500 G S 8 0.06 SIDE CHAIN REMARK 500 G S 9 0.06 SIDE CHAIN REMARK 500 G A 6 0.07 SIDE CHAIN REMARK 500 G A 8 0.07 SIDE CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 3NJ6 RELATED DB: PDB REMARK 900 0.95 A RESOLUTION X-RAY STRUCTURE OF (GGCAGCAGCC)2 REMARK 900 RELATED ID: 3NJ7 RELATED DB: PDB REMARK 900 1.9 A RESOLUTION X-RAY STRUCTURE OF (GGCAGCAGCC)2 REMARK 900 RELATED ID: 4J50 RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF AN EXPANDED RNA CAG REPEAT REMARK 900 RELATED ID: 25106 RELATED DB: BMRB DBREF 2MS5 S 1 9 PDB 2MS5 2MS5 1 9 DBREF 2MS5 A 1 9 PDB 2MS5 2MS5 1 9 SEQRES 1 S 9 C C G C A G C G G SEQRES 1 A 9 C C G C A G C G G 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 C O2' : rot 180:sc= -0.0878 USER MOD Single : A 2 C O2' : rot -117:sc= 0.0493 USER MOD Single : A 3 G O2' : rot -21:sc= 0.0336 USER MOD Single : A 4 C O2' : rot -30:sc= 0.0636 USER MOD Single : A 5 A O2' : rot -16:sc= 0.109 USER MOD Single : A 6 G O2' : rot 180:sc= -0.0433 USER MOD Single : A 7 C O2' : rot 180:sc= 0 USER MOD Single : A 8 G O2' : rot 180:sc= 0 USER MOD Single : A 9 G O2' : rot -14:sc= 0.22 USER MOD Single : A 9 G O3' : rot 180:sc= 0.255 USER MOD Single : S 1 C O2' : rot -17:sc= 0.0428 USER MOD Single : S 2 C O2' : rot -116:sc= 0.0637 USER MOD Single : S 3 G O2' : rot 180:sc= 0 USER MOD Single : S 4 C O2' : rot -84:sc= 0.331 USER MOD Single : S 5 A O2' : rot -30:sc= 0.00329 USER MOD Single : S 6 G O2' : rot 180:sc= 0 USER MOD Single : S 7 C O2' : rot 180:sc= 0 USER MOD Single : S 8 G O2' : rot 180:sc= -0.12 USER MOD Single : S 9 G O2' : rot -14:sc= 0.231 USER MOD Single : S 9 G O3' : rot 180:sc= 0.206 USER MOD ----------------------------------------------------------------- ATOM 1 OP3 C S 1 5.852 9.919 8.363 1.00 0.00 O ATOM 2 P C S 1 5.132 9.344 7.081 1.00 0.00 P ATOM 3 OP1 C S 1 3.868 10.202 6.602 1.00 0.00 O ATOM 4 OP2 C S 1 4.649 7.861 7.147 1.00 0.00 O1- ATOM 5 O5' C S 1 6.030 9.470 5.762 1.00 0.00 O ATOM 6 C5' C S 1 6.404 10.749 5.320 1.00 0.00 C ATOM 7 C4' C S 1 7.547 10.562 4.283 1.00 0.00 C ATOM 8 O4' C S 1 8.713 9.942 4.805 1.00 0.00 O ATOM 9 C3' C S 1 7.131 9.815 2.999 1.00 0.00 C ATOM 10 O3' C S 1 6.327 10.649 2.177 1.00 0.00 O ATOM 11 C2' C S 1 8.488 9.455 2.385 1.00 0.00 C ATOM 12 O2' C S 1 9.074 10.521 1.666 1.00 0.00 O ATOM 13 C1' C S 1 9.307 9.153 3.721 1.00 0.00 C ATOM 14 N1 C S 1 9.242 7.708 4.139 1.00 0.00 N ATOM 15 C2 C S 1 10.108 6.780 3.506 1.00 0.00 C ATOM 16 O2 C S 1 10.882 7.171 2.629 1.00 0.00 O ATOM 17 N3 C S 1 10.047 5.470 3.915 1.00 0.00 N ATOM 18 C4 C S 1 9.271 5.045 4.867 1.00 0.00 C ATOM 19 N4 C S 1 9.281 3.727 5.230 1.00 0.00 N ATOM 20 C5 C S 1 8.408 5.951 5.572 1.00 0.00 C ATOM 21 C6 C S 1 8.431 7.280 5.116 1.00 0.00 C ATOM 0 H5' C S 1 6.740 11.362 6.156 1.00 0.00 H new ATOM 0 H5'' C S 1 5.556 11.263 4.869 1.00 0.00 H new ATOM 0 H4' C S 1 7.784 11.594 4.022 1.00 0.00 H new ATOM 0 H3' C S 1 6.510 8.933 3.154 1.00 0.00 H new ATOM 0 H2' C S 1 8.445 8.650 1.651 1.00 0.00 H new ATOM 0 HO2' C S 1 8.392 11.197 1.469 1.00 0.00 H new ATOM 0 H1' C S 1 10.349 9.405 3.526 1.00 0.00 H new ATOM 0 H41 C S 1 8.670 3.399 5.978 1.00 0.00 H new ATOM 0 H42 C S 1 9.900 3.071 4.753 1.00 0.00 H new ATOM 0 H5 C S 1 7.785 5.633 6.395 1.00 0.00 H new ATOM 0 H6 C S 1 7.762 7.992 5.576 1.00 0.00 H new ATOM 34 P C S 2 5.366 9.939 1.226 1.00 0.00 P ATOM 35 OP1 C S 2 4.413 10.908 0.507 1.00 0.00 O ATOM 36 OP2 C S 2 4.486 8.864 1.944 1.00 0.00 O1- ATOM 37 O5' C S 2 6.212 9.147 0.064 1.00 0.00 O ATOM 38 C5' C S 2 6.858 9.948 -0.929 1.00 0.00 C ATOM 39 C4' C S 2 7.774 8.973 -1.660 1.00 0.00 C ATOM 40 O4' C S 2 8.685 8.335 -0.842 1.00 0.00 O ATOM 41 C3' C S 2 7.014 7.853 -2.332 1.00 0.00 C ATOM 42 O3' C S 2 6.381 8.339 -3.522 1.00 0.00 O ATOM 43 C2' C S 2 8.187 6.930 -2.592 1.00 0.00 C ATOM 44 O2' C S 2 8.969 7.186 -3.767 1.00 0.00 O ATOM 45 C1' C S 2 8.964 6.983 -1.269 1.00 0.00 C ATOM 46 N1 C S 2 8.557 5.999 -0.227 1.00 0.00 N ATOM 47 C2 C S 2 9.155 4.764 -0.370 1.00 0.00 C ATOM 48 O2 C S 2 9.828 4.448 -1.333 1.00 0.00 O ATOM 49 N3 C S 2 8.870 3.824 0.574 1.00 0.00 N ATOM 50 C4 C S 2 8.030 4.131 1.610 1.00 0.00 C ATOM 51 N4 C S 2 7.729 3.182 2.551 1.00 0.00 N ATOM 52 C5 C S 2 7.413 5.357 1.692 1.00 0.00 C ATOM 53 C6 C S 2 7.681 6.272 0.772 1.00 0.00 C ATOM 0 H5' C S 2 7.424 10.763 -0.477 1.00 0.00 H new ATOM 0 H5'' C S 2 6.135 10.400 -1.608 1.00 0.00 H new ATOM 0 H4' C S 2 8.282 9.618 -2.377 1.00 0.00 H new ATOM 0 H3' C S 2 6.193 7.390 -1.784 1.00 0.00 H new ATOM 0 H2' C S 2 7.849 5.927 -2.853 1.00 0.00 H new ATOM 0 HO2' C S 2 8.894 6.426 -4.382 1.00 0.00 H new ATOM 0 H1' C S 2 10.013 6.723 -1.413 1.00 0.00 H new ATOM 0 H41 C S 2 7.103 3.410 3.323 1.00 0.00 H new ATOM 0 H42 C S 2 8.131 2.247 2.479 1.00 0.00 H new ATOM 0 H5 C S 2 6.721 5.571 2.493 1.00 0.00 H new ATOM 0 H6 C S 2 7.201 7.238 0.818 1.00 0.00 H new ATOM 65 P G S 3 5.170 7.540 -4.131 1.00 0.00 P ATOM 66 OP1 G S 3 4.543 8.338 -5.303 1.00 0.00 O ATOM 67 OP2 G S 3 4.110 7.274 -3.006 1.00 0.00 O1- ATOM 68 O5' G S 3 5.726 6.184 -4.706 1.00 0.00 O ATOM 69 C5' G S 3 6.521 6.246 -5.858 1.00 0.00 C ATOM 70 C4' G S 3 7.137 4.892 -6.147 1.00 0.00 C ATOM 71 O4' G S 3 7.930 4.490 -5.055 1.00 0.00 O ATOM 72 C3' G S 3 6.119 3.819 -6.282 1.00 0.00 C ATOM 73 O3' G S 3 5.439 3.839 -7.552 1.00 0.00 O ATOM 74 C2' G S 3 6.921 2.528 -5.972 1.00 0.00 C ATOM 75 O2' G S 3 7.888 2.064 -6.942 1.00 0.00 O ATOM 76 C1' G S 3 7.736 3.095 -4.826 1.00 0.00 C ATOM 77 N9 G S 3 7.123 2.849 -3.473 1.00 0.00 N ATOM 78 C8 G S 3 6.519 3.652 -2.596 1.00 0.00 C ATOM 79 N7 G S 3 6.167 3.070 -1.418 1.00 0.00 N ATOM 80 C5 G S 3 6.578 1.771 -1.570 1.00 0.00 C ATOM 81 C6 G S 3 6.451 0.677 -0.710 1.00 0.00 C ATOM 82 O6 G S 3 6.051 0.776 0.426 1.00 0.00 O ATOM 83 N1 G S 3 7.034 -0.474 -1.191 1.00 0.00 N ATOM 84 C2 G S 3 7.600 -0.552 -2.418 1.00 0.00 C ATOM 85 N2 G S 3 8.176 -1.723 -2.763 1.00 0.00 N ATOM 86 N3 G S 3 7.702 0.459 -3.292 1.00 0.00 N ATOM 87 C4 G S 3 7.216 1.636 -2.825 1.00 0.00 C ATOM 0 H5' G S 3 7.307 6.990 -5.726 1.00 0.00 H new ATOM 0 H5'' G S 3 5.918 6.567 -6.707 1.00 0.00 H new ATOM 0 H4' G S 3 7.697 5.013 -7.074 1.00 0.00 H new ATOM 0 H3' G S 3 5.276 3.930 -5.600 1.00 0.00 H new ATOM 0 H2' G S 3 6.255 1.672 -5.861 1.00 0.00 H new ATOM 0 HO2' G S 3 8.315 1.246 -6.613 1.00 0.00 H new ATOM 0 H1' G S 3 8.693 2.574 -4.805 1.00 0.00 H new ATOM 0 H8 G S 3 6.323 4.693 -2.807 1.00 0.00 H new ATOM 0 H1 G S 3 7.040 -1.303 -0.597 1.00 0.00 H new ATOM 0 H21 G S 3 8.614 -1.826 -3.678 1.00 0.00 H new ATOM 0 H22 G S 3 8.173 -2.505 -2.108 1.00 0.00 H new ATOM 99 P C S 4 4.056 3.191 -7.781 1.00 0.00 P ATOM 100 OP1 C S 4 3.548 3.536 -9.194 1.00 0.00 O ATOM 101 OP2 C S 4 3.171 3.777 -6.728 1.00 0.00 O1- ATOM 102 O5' C S 4 4.106 1.633 -7.662 1.00 0.00 O ATOM 103 C5' C S 4 4.855 0.801 -8.603 1.00 0.00 C ATOM 104 C4' C S 4 4.973 -0.580 -8.053 1.00 0.00 C ATOM 105 O4' C S 4 5.676 -0.597 -6.901 1.00 0.00 O ATOM 106 C3' C S 4 3.689 -1.243 -7.720 1.00 0.00 C ATOM 107 O3' C S 4 3.062 -1.778 -8.942 1.00 0.00 O ATOM 108 C2' C S 4 4.179 -2.358 -6.895 1.00 0.00 C ATOM 109 O2' C S 4 4.749 -3.429 -7.602 1.00 0.00 O ATOM 110 C1' C S 4 5.226 -1.675 -6.022 1.00 0.00 C ATOM 111 N1 C S 4 4.665 -1.112 -4.776 1.00 0.00 N ATOM 112 C2 C S 4 4.493 -1.951 -3.740 1.00 0.00 C ATOM 113 O2 C S 4 4.720 -3.172 -3.819 1.00 0.00 O ATOM 114 N3 C S 4 4.068 -1.386 -2.565 1.00 0.00 N ATOM 115 C4 C S 4 3.767 -0.124 -2.410 1.00 0.00 C ATOM 116 N4 C S 4 3.297 0.386 -1.278 1.00 0.00 N ATOM 117 C5 C S 4 3.915 0.757 -3.439 1.00 0.00 C ATOM 118 C6 C S 4 4.400 0.187 -4.633 1.00 0.00 C ATOM 0 H5' C S 4 5.845 1.224 -8.771 1.00 0.00 H new ATOM 0 H5'' C S 4 4.350 0.778 -9.568 1.00 0.00 H new ATOM 0 H4' C S 4 5.460 -1.116 -8.868 1.00 0.00 H new ATOM 0 H3' C S 4 2.948 -0.598 -7.248 1.00 0.00 H new ATOM 0 H2' C S 4 3.357 -2.837 -6.363 1.00 0.00 H new ATOM 0 HO2' C S 4 4.040 -4.032 -7.910 1.00 0.00 H new ATOM 0 H1' C S 4 6.002 -2.361 -5.683 1.00 0.00 H new ATOM 0 H41 C S 4 3.080 1.381 -1.218 1.00 0.00 H new ATOM 0 H42 C S 4 3.153 -0.217 -0.468 1.00 0.00 H new ATOM 0 H5 C S 4 3.680 1.807 -3.347 1.00 0.00 H new ATOM 0 H6 C S 4 4.566 0.838 -5.479 1.00 0.00 H new ATOM 130 P A S 5 1.642 -1.261 -9.374 1.00 0.00 P ATOM 131 OP1 A S 5 1.650 -0.912 -10.901 1.00 0.00 O ATOM 132 OP2 A S 5 1.336 0.054 -8.641 1.00 0.00 O1- ATOM 133 O5' A S 5 0.508 -2.215 -9.040 1.00 0.00 O ATOM 134 C5' A S 5 0.540 -3.547 -9.621 1.00 0.00 C ATOM 135 C4' A S 5 0.972 -4.652 -8.708 1.00 0.00 C ATOM 136 O4' A S 5 1.964 -4.223 -7.791 1.00 0.00 O ATOM 137 C3' A S 5 -0.026 -5.345 -7.796 1.00 0.00 C ATOM 138 O3' A S 5 -0.993 -6.205 -8.317 1.00 0.00 O ATOM 139 C2' A S 5 0.764 -6.019 -6.758 1.00 0.00 C ATOM 140 O2' A S 5 1.331 -7.290 -7.135 1.00 0.00 O ATOM 141 C1' A S 5 1.843 -4.926 -6.541 1.00 0.00 C ATOM 142 N9 A S 5 1.218 -3.944 -5.538 1.00 0.00 N ATOM 143 C8 A S 5 1.135 -2.596 -5.573 1.00 0.00 C ATOM 144 N7 A S 5 0.828 -2.022 -4.440 1.00 0.00 N ATOM 145 C5 A S 5 0.671 -3.126 -3.580 1.00 0.00 C ATOM 146 C6 A S 5 0.312 -3.252 -2.265 1.00 0.00 C ATOM 147 N6 A S 5 0.013 -2.108 -1.481 1.00 0.00 N ATOM 148 N1 A S 5 0.240 -4.462 -1.663 1.00 0.00 N ATOM 149 C2 A S 5 0.526 -5.545 -2.373 1.00 0.00 C ATOM 150 N3 A S 5 0.915 -5.526 -3.644 1.00 0.00 N ATOM 151 C4 A S 5 0.962 -4.356 -4.216 1.00 0.00 C ATOM 0 H5' A S 5 1.210 -3.531 -10.481 1.00 0.00 H new ATOM 0 H5'' A S 5 -0.456 -3.782 -9.997 1.00 0.00 H new ATOM 0 H4' A S 5 1.270 -5.361 -9.481 1.00 0.00 H new ATOM 0 H3' A S 5 -0.677 -4.542 -7.450 1.00 0.00 H new ATOM 0 H2' A S 5 0.183 -6.316 -5.885 1.00 0.00 H new ATOM 0 HO2' A S 5 0.753 -7.722 -7.798 1.00 0.00 H new ATOM 0 H1' A S 5 2.801 -5.324 -6.206 1.00 0.00 H new ATOM 0 H8 A S 5 1.311 -2.031 -6.476 1.00 0.00 H new ATOM 0 H61 A S 5 -0.253 -2.216 -0.502 1.00 0.00 H new ATOM 0 H62 A S 5 0.064 -1.178 -1.896 1.00 0.00 H new ATOM 0 H2 A S 5 0.437 -6.505 -1.887 1.00 0.00 H new ATOM 163 P G S 6 -2.489 -6.046 -8.052 1.00 0.00 P ATOM 164 OP1 G S 6 -3.233 -6.853 -9.119 1.00 0.00 O ATOM 165 OP2 G S 6 -2.818 -4.539 -8.079 1.00 0.00 O1- ATOM 166 O5' G S 6 -2.834 -6.503 -6.598 1.00 0.00 O ATOM 167 C5' G S 6 -2.886 -7.946 -6.397 1.00 0.00 C ATOM 168 C4' G S 6 -3.359 -8.269 -4.987 1.00 0.00 C ATOM 169 O4' G S 6 -2.427 -7.737 -4.019 1.00 0.00 O ATOM 170 C3' G S 6 -4.678 -7.734 -4.585 1.00 0.00 C ATOM 171 O3' G S 6 -5.746 -8.527 -5.086 1.00 0.00 O ATOM 172 C2' G S 6 -4.533 -7.735 -3.020 1.00 0.00 C ATOM 173 O2' G S 6 -4.757 -8.949 -2.429 1.00 0.00 O ATOM 174 C1' G S 6 -3.065 -7.277 -2.853 1.00 0.00 C ATOM 175 N9 G S 6 -2.986 -5.796 -2.790 1.00 0.00 N ATOM 176 C8 G S 6 -2.562 -4.857 -3.635 1.00 0.00 C ATOM 177 N7 G S 6 -2.532 -3.618 -3.136 1.00 0.00 N ATOM 178 C5 G S 6 -2.990 -3.727 -1.863 1.00 0.00 C ATOM 179 C6 G S 6 -3.125 -2.735 -0.800 1.00 0.00 C ATOM 180 O6 G S 6 -2.919 -1.540 -0.949 1.00 0.00 O ATOM 181 N1 G S 6 -3.578 -3.351 0.378 1.00 0.00 N ATOM 182 C2 G S 6 -3.847 -4.650 0.535 1.00 0.00 C ATOM 183 N2 G S 6 -4.244 -5.066 1.761 1.00 0.00 N ATOM 184 N3 G S 6 -3.719 -5.553 -0.417 1.00 0.00 N ATOM 185 C4 G S 6 -3.281 -5.075 -1.624 1.00 0.00 C ATOM 0 H5' G S 6 -1.900 -8.379 -6.564 1.00 0.00 H new ATOM 0 H5'' G S 6 -3.560 -8.397 -7.126 1.00 0.00 H new ATOM 0 H4' G S 6 -3.433 -9.356 -5.004 1.00 0.00 H new ATOM 0 H3' G S 6 -4.927 -6.750 -4.982 1.00 0.00 H new ATOM 0 H2' G S 6 -5.275 -7.103 -2.532 1.00 0.00 H new ATOM 0 HO2' G S 6 -4.646 -8.866 -1.459 1.00 0.00 H new ATOM 0 H1' G S 6 -2.613 -7.660 -1.938 1.00 0.00 H new ATOM 0 H8 G S 6 -2.264 -5.081 -4.649 1.00 0.00 H new ATOM 0 H1 G S 6 -3.715 -2.750 1.190 1.00 0.00 H new ATOM 0 H21 G S 6 -4.459 -6.050 1.921 1.00 0.00 H new ATOM 0 H22 G S 6 -4.328 -4.395 2.525 1.00 0.00 H new ATOM 197 P C S 7 -7.165 -7.956 -5.271 1.00 0.00 P ATOM 198 OP1 C S 7 -8.025 -8.948 -6.015 1.00 0.00 O ATOM 199 OP2 C S 7 -7.017 -6.651 -6.120 1.00 0.00 O1- ATOM 200 O5' C S 7 -7.683 -7.674 -3.894 1.00 0.00 O ATOM 201 C5' C S 7 -8.138 -8.733 -3.041 1.00 0.00 C ATOM 202 C4' C S 7 -8.486 -8.164 -1.663 1.00 0.00 C ATOM 203 O4' C S 7 -7.412 -7.422 -1.118 1.00 0.00 O ATOM 204 C3' C S 7 -9.643 -7.172 -1.671 1.00 0.00 C ATOM 205 O3' C S 7 -10.898 -7.907 -1.768 1.00 0.00 O ATOM 206 C2' C S 7 -9.460 -6.471 -0.323 1.00 0.00 C ATOM 207 O2' C S 7 -9.958 -7.182 0.829 1.00 0.00 O ATOM 208 C1' C S 7 -7.967 -6.340 -0.379 1.00 0.00 C ATOM 209 N1 C S 7 -7.457 -4.969 -0.852 1.00 0.00 N ATOM 210 C2 C S 7 -7.346 -3.916 0.010 1.00 0.00 C ATOM 211 O2 C S 7 -7.921 -3.963 1.107 1.00 0.00 O ATOM 212 N3 C S 7 -6.739 -2.722 -0.510 1.00 0.00 N ATOM 213 C4 C S 7 -6.302 -2.672 -1.793 1.00 0.00 C ATOM 214 N4 C S 7 -5.757 -1.539 -2.292 1.00 0.00 N ATOM 215 C5 C S 7 -6.401 -3.769 -2.656 1.00 0.00 C ATOM 216 C6 C S 7 -6.993 -4.905 -2.108 1.00 0.00 C ATOM 0 H5' C S 7 -7.365 -9.496 -2.947 1.00 0.00 H new ATOM 0 H5'' C S 7 -9.012 -9.216 -3.478 1.00 0.00 H new ATOM 0 H4' C S 7 -8.738 -9.054 -1.087 1.00 0.00 H new ATOM 0 H3' C S 7 -9.661 -6.466 -2.501 1.00 0.00 H new ATOM 0 H2' C S 7 -10.027 -5.549 -0.195 1.00 0.00 H new ATOM 0 HO2' C S 7 -9.792 -6.653 1.637 1.00 0.00 H new ATOM 0 H1' C S 7 -7.611 -6.397 0.649 1.00 0.00 H new ATOM 0 H41 C S 7 -5.432 -1.512 -3.258 1.00 0.00 H new ATOM 0 H42 C S 7 -5.672 -0.711 -1.702 1.00 0.00 H new ATOM 0 H5 C S 7 -6.044 -3.737 -3.675 1.00 0.00 H new ATOM 0 H6 C S 7 -7.083 -5.783 -2.730 1.00 0.00 H new ATOM 228 P G S 8 -12.141 -7.059 -2.313 1.00 0.00 P ATOM 229 OP1 G S 8 -13.391 -7.987 -2.507 1.00 0.00 O ATOM 230 OP2 G S 8 -11.678 -6.363 -3.646 1.00 0.00 O1- ATOM 231 O5' G S 8 -12.529 -5.953 -1.302 1.00 0.00 O ATOM 232 C5' G S 8 -13.133 -6.352 -0.059 1.00 0.00 C ATOM 233 C4' G S 8 -13.202 -5.113 0.833 1.00 0.00 C ATOM 234 O4' G S 8 -11.906 -4.556 1.079 1.00 0.00 O ATOM 235 C3' G S 8 -14.001 -4.016 0.279 1.00 0.00 C ATOM 236 O3' G S 8 -15.414 -4.294 0.384 1.00 0.00 O ATOM 237 C2' G S 8 -13.507 -2.886 1.218 1.00 0.00 C ATOM 238 O2' G S 8 -14.167 -2.790 2.492 1.00 0.00 O ATOM 239 C1' G S 8 -12.028 -3.167 1.304 1.00 0.00 C ATOM 240 N9 G S 8 -11.261 -2.528 0.202 1.00 0.00 N ATOM 241 C8 G S 8 -10.781 -3.072 -0.917 1.00 0.00 C ATOM 242 N7 G S 8 -10.093 -2.242 -1.655 1.00 0.00 N ATOM 243 C5 G S 8 -10.130 -1.089 -0.949 1.00 0.00 C ATOM 244 C6 G S 8 -9.499 0.156 -1.201 1.00 0.00 C ATOM 245 O6 G S 8 -8.681 0.440 -2.044 1.00 0.00 O ATOM 246 N1 G S 8 -9.758 1.027 -0.208 1.00 0.00 N ATOM 247 C2 G S 8 -10.479 0.843 0.928 1.00 0.00 C ATOM 248 N2 G S 8 -10.664 1.856 1.761 1.00 0.00 N ATOM 249 N3 G S 8 -11.066 -0.319 1.179 1.00 0.00 N ATOM 250 C4 G S 8 -10.865 -1.245 0.228 1.00 0.00 C ATOM 0 H5' G S 8 -12.546 -7.137 0.419 1.00 0.00 H new ATOM 0 H5'' G S 8 -14.130 -6.758 -0.230 1.00 0.00 H new ATOM 0 H4' G S 8 -13.669 -5.489 1.743 1.00 0.00 H new ATOM 0 H3' G S 8 -13.886 -3.803 -0.784 1.00 0.00 H new ATOM 0 H2' G S 8 -13.744 -1.897 0.825 1.00 0.00 H new ATOM 0 HO2' G S 8 -13.781 -2.050 3.005 1.00 0.00 H new ATOM 0 H1' G S 8 -11.650 -2.801 2.259 1.00 0.00 H new ATOM 0 H8 G S 8 -10.946 -4.104 -1.188 1.00 0.00 H new ATOM 0 H1 G S 8 -9.356 1.957 -0.325 1.00 0.00 H new ATOM 0 H21 G S 8 -11.205 1.722 2.615 1.00 0.00 H new ATOM 0 H22 G S 8 -10.265 2.770 1.548 1.00 0.00 H new ATOM 262 P G S 9 -16.430 -3.518 -0.566 1.00 0.00 P ATOM 263 OP1 G S 9 -17.897 -4.023 -0.383 1.00 0.00 O ATOM 264 OP2 G S 9 -15.899 -3.626 -2.054 1.00 0.00 O1- ATOM 265 O5' G S 9 -16.464 -2.026 -0.196 1.00 0.00 O ATOM 266 C5' G S 9 -16.967 -1.659 1.073 1.00 0.00 C ATOM 267 C4' G S 9 -16.739 -0.139 1.346 1.00 0.00 C ATOM 268 O4' G S 9 -15.360 0.065 1.372 1.00 0.00 O ATOM 269 C3' G S 9 -17.274 0.775 0.256 1.00 0.00 C ATOM 270 O3' G S 9 -18.635 1.023 0.519 1.00 0.00 O1- ATOM 271 C2' G S 9 -16.406 2.010 0.464 1.00 0.00 C ATOM 272 O2' G S 9 -16.961 2.832 1.490 1.00 0.00 O ATOM 273 C1' G S 9 -15.042 1.399 0.913 1.00 0.00 C ATOM 274 N9 G S 9 -14.211 1.214 -0.314 1.00 0.00 N ATOM 275 C8 G S 9 -13.934 0.071 -1.037 1.00 0.00 C ATOM 276 N7 G S 9 -13.103 0.272 -2.026 1.00 0.00 N ATOM 277 C5 G S 9 -12.725 1.605 -1.971 1.00 0.00 C ATOM 278 C6 G S 9 -11.812 2.363 -2.743 1.00 0.00 C ATOM 279 O6 G S 9 -10.990 2.020 -3.545 1.00 0.00 O ATOM 280 N1 G S 9 -11.779 3.708 -2.280 1.00 0.00 N ATOM 281 C2 G S 9 -12.442 4.206 -1.255 1.00 0.00 C ATOM 282 N2 G S 9 -12.338 5.520 -0.942 1.00 0.00 N ATOM 283 N3 G S 9 -13.272 3.490 -0.493 1.00 0.00 N ATOM 284 C4 G S 9 -13.402 2.189 -0.881 1.00 0.00 C ATOM 0 H5' G S 9 -16.476 -2.249 1.847 1.00 0.00 H new ATOM 0 H5'' G S 9 -18.032 -1.886 1.126 1.00 0.00 H new ATOM 0 H4' G S 9 -17.260 0.101 2.273 1.00 0.00 H new ATOM 0 H3' G S 9 -17.230 0.397 -0.765 1.00 0.00 H new ATOM 0 H2' G S 9 -16.320 2.645 -0.418 1.00 0.00 H new ATOM 0 HO2' G S 9 -17.881 2.548 1.675 1.00 0.00 H new ATOM 0 HO3' G S 9 -19.000 1.613 -0.173 1.00 0.00 H new ATOM 0 H1' G S 9 -14.537 2.014 1.657 1.00 0.00 H new ATOM 0 H8 G S 9 -14.362 -0.894 -0.808 1.00 0.00 H new ATOM 0 H1 G S 9 -11.180 4.354 -2.794 1.00 0.00 H new ATOM 0 H21 G S 9 -12.854 5.897 -0.147 1.00 0.00 H new ATOM 0 H22 G S 9 -11.743 6.132 -1.501 1.00 0.00 H new TER 296 G S 9 ATOM 297 OP3 C A 1 -5.998 9.672 -8.403 1.00 0.00 O ATOM 298 P C A 1 -5.147 9.235 -7.159 1.00 0.00 P ATOM 299 OP1 C A 1 -3.891 10.020 -6.811 1.00 0.00 O ATOM 300 OP2 C A 1 -4.716 7.706 -7.179 1.00 0.00 O1- ATOM 301 O5' C A 1 -5.991 9.434 -5.866 1.00 0.00 O ATOM 302 C5' C A 1 -6.465 10.718 -5.473 1.00 0.00 C ATOM 303 C4' C A 1 -7.458 10.549 -4.332 1.00 0.00 C ATOM 304 O4' C A 1 -8.627 9.884 -4.749 1.00 0.00 O ATOM 305 C3' C A 1 -7.056 9.802 -3.115 1.00 0.00 C ATOM 306 O3' C A 1 -6.231 10.541 -2.236 1.00 0.00 O ATOM 307 C2' C A 1 -8.367 9.399 -2.528 1.00 0.00 C ATOM 308 O2' C A 1 -8.947 10.340 -1.655 1.00 0.00 O ATOM 309 C1' C A 1 -9.244 9.098 -3.721 1.00 0.00 C ATOM 310 N1 C A 1 -9.249 7.685 -4.111 1.00 0.00 N ATOM 311 C2 C A 1 -10.065 6.829 -3.413 1.00 0.00 C ATOM 312 O2 C A 1 -10.822 7.219 -2.537 1.00 0.00 O ATOM 313 N3 C A 1 -10.093 5.565 -3.880 1.00 0.00 N ATOM 314 C4 C A 1 -9.379 5.068 -4.871 1.00 0.00 C ATOM 315 N4 C A 1 -9.510 3.805 -5.318 1.00 0.00 N ATOM 316 C5 C A 1 -8.502 5.975 -5.523 1.00 0.00 C ATOM 317 C6 C A 1 -8.457 7.298 -5.117 1.00 0.00 C ATOM 0 H5' C A 1 -6.941 11.218 -6.316 1.00 0.00 H new ATOM 0 H5'' C A 1 -5.632 11.347 -5.158 1.00 0.00 H new ATOM 0 H4' C A 1 -7.571 11.598 -4.059 1.00 0.00 H new ATOM 0 H3' C A 1 -6.416 8.948 -3.335 1.00 0.00 H new ATOM 0 H2' C A 1 -8.235 8.538 -1.872 1.00 0.00 H new ATOM 0 HO2' C A 1 -9.801 9.993 -1.321 1.00 0.00 H new ATOM 0 H1' C A 1 -10.291 9.323 -3.520 1.00 0.00 H new ATOM 0 H41 C A 1 -8.930 3.474 -6.089 1.00 0.00 H new ATOM 0 H42 C A 1 -10.189 3.179 -4.886 1.00 0.00 H new ATOM 0 H5 C A 1 -7.873 5.634 -6.332 1.00 0.00 H new ATOM 0 H6 C A 1 -7.797 8.002 -5.602 1.00 0.00 H new ATOM 330 P C A 2 -5.236 9.814 -1.302 1.00 0.00 P ATOM 331 OP1 C A 2 -4.270 10.836 -0.635 1.00 0.00 O ATOM 332 OP2 C A 2 -4.452 8.736 -2.103 1.00 0.00 O1- ATOM 333 O5' C A 2 -5.953 9.151 -0.163 1.00 0.00 O ATOM 334 C5' C A 2 -6.752 9.924 0.760 1.00 0.00 C ATOM 335 C4' C A 2 -7.631 8.983 1.543 1.00 0.00 C ATOM 336 O4' C A 2 -8.546 8.283 0.727 1.00 0.00 O ATOM 337 C3' C A 2 -6.917 7.873 2.284 1.00 0.00 C ATOM 338 O3' C A 2 -6.261 8.415 3.431 1.00 0.00 O ATOM 339 C2' C A 2 -8.086 6.891 2.542 1.00 0.00 C ATOM 340 O2' C A 2 -8.941 7.141 3.647 1.00 0.00 O ATOM 341 C1' C A 2 -8.830 6.973 1.239 1.00 0.00 C ATOM 342 N1 C A 2 -8.462 5.991 0.247 1.00 0.00 N ATOM 343 C2 C A 2 -9.113 4.801 0.334 1.00 0.00 C ATOM 344 O2 C A 2 -9.792 4.541 1.287 1.00 0.00 O ATOM 345 N3 C A 2 -8.889 3.849 -0.611 1.00 0.00 N ATOM 346 C4 C A 2 -8.083 4.093 -1.626 1.00 0.00 C ATOM 347 N4 C A 2 -7.824 3.137 -2.548 1.00 0.00 N ATOM 348 C5 C A 2 -7.398 5.289 -1.742 1.00 0.00 C ATOM 349 C6 C A 2 -7.619 6.250 -0.750 1.00 0.00 C ATOM 0 H5' C A 2 -7.361 10.648 0.218 1.00 0.00 H new ATOM 0 H5'' C A 2 -6.109 10.490 1.434 1.00 0.00 H new ATOM 0 H4' C A 2 -8.098 9.678 2.241 1.00 0.00 H new ATOM 0 H3' C A 2 -6.100 7.364 1.773 1.00 0.00 H new ATOM 0 H2' C A 2 -7.699 5.914 2.830 1.00 0.00 H new ATOM 0 HO2' C A 2 -8.869 6.405 4.290 1.00 0.00 H new ATOM 0 H1' C A 2 -9.884 6.775 1.436 1.00 0.00 H new ATOM 0 H41 C A 2 -7.199 3.337 -3.329 1.00 0.00 H new ATOM 0 H42 C A 2 -8.254 2.216 -2.462 1.00 0.00 H new ATOM 0 H5 C A 2 -6.721 5.473 -2.563 1.00 0.00 H new ATOM 0 H6 C A 2 -7.107 7.200 -0.793 1.00 0.00 H new ATOM 361 P G A 3 -5.039 7.603 4.022 1.00 0.00 P ATOM 362 OP1 G A 3 -4.354 8.472 5.096 1.00 0.00 O ATOM 363 OP2 G A 3 -4.050 7.295 2.861 1.00 0.00 O1- ATOM 364 O5' G A 3 -5.435 6.313 4.683 1.00 0.00 O ATOM 365 C5' G A 3 -6.393 6.339 5.747 1.00 0.00 C ATOM 366 C4' G A 3 -6.961 4.968 5.984 1.00 0.00 C ATOM 367 O4' G A 3 -7.842 4.500 4.979 1.00 0.00 O ATOM 368 C3' G A 3 -5.935 3.802 6.166 1.00 0.00 C ATOM 369 O3' G A 3 -5.384 3.839 7.451 1.00 0.00 O ATOM 370 C2' G A 3 -6.807 2.591 5.991 1.00 0.00 C ATOM 371 O2' G A 3 -7.625 2.217 7.074 1.00 0.00 O ATOM 372 C1' G A 3 -7.664 3.105 4.854 1.00 0.00 C ATOM 373 N9 G A 3 -7.086 2.848 3.530 1.00 0.00 N ATOM 374 C8 G A 3 -6.403 3.631 2.652 1.00 0.00 C ATOM 375 N7 G A 3 -6.093 3.094 1.437 1.00 0.00 N ATOM 376 C5 G A 3 -6.558 1.809 1.573 1.00 0.00 C ATOM 377 C6 G A 3 -6.500 0.783 0.638 1.00 0.00 C ATOM 378 O6 G A 3 -6.141 0.858 -0.525 1.00 0.00 O ATOM 379 N1 G A 3 -7.093 -0.326 1.113 1.00 0.00 N ATOM 380 C2 G A 3 -7.656 -0.488 2.318 1.00 0.00 C ATOM 381 N2 G A 3 -8.198 -1.687 2.611 1.00 0.00 N ATOM 382 N3 G A 3 -7.702 0.493 3.240 1.00 0.00 N ATOM 383 C4 G A 3 -7.166 1.666 2.839 1.00 0.00 C ATOM 0 H5' G A 3 -7.197 7.034 5.503 1.00 0.00 H new ATOM 0 H5'' G A 3 -5.921 6.705 6.659 1.00 0.00 H new ATOM 0 H4' G A 3 -7.476 5.173 6.923 1.00 0.00 H new ATOM 0 H3' G A 3 -5.090 3.836 5.478 1.00 0.00 H new ATOM 0 H2' G A 3 -6.222 1.682 5.852 1.00 0.00 H new ATOM 0 HO2' G A 3 -7.272 2.608 7.901 1.00 0.00 H new ATOM 0 H1' G A 3 -8.610 2.568 4.925 1.00 0.00 H new ATOM 0 H8 G A 3 -6.117 4.641 2.907 1.00 0.00 H new ATOM 0 H1 G A 3 -7.117 -1.132 0.488 1.00 0.00 H new ATOM 0 H21 G A 3 -8.634 -1.841 3.520 1.00 0.00 H new ATOM 0 H22 G A 3 -8.172 -2.440 1.923 1.00 0.00 H new ATOM 395 P C A 4 -3.944 3.257 7.729 1.00 0.00 P ATOM 396 OP1 C A 4 -3.442 3.659 9.195 1.00 0.00 O ATOM 397 OP2 C A 4 -2.971 3.890 6.650 1.00 0.00 O1- ATOM 398 O5' C A 4 -3.946 1.749 7.598 1.00 0.00 O ATOM 399 C5' C A 4 -4.694 0.946 8.515 1.00 0.00 C ATOM 400 C4' C A 4 -4.938 -0.439 8.013 1.00 0.00 C ATOM 401 O4' C A 4 -5.557 -0.445 6.786 1.00 0.00 O ATOM 402 C3' C A 4 -3.598 -1.103 7.823 1.00 0.00 C ATOM 403 O3' C A 4 -3.030 -1.593 8.995 1.00 0.00 O ATOM 404 C2' C A 4 -4.040 -2.225 6.902 1.00 0.00 C ATOM 405 O2' C A 4 -4.741 -3.224 7.601 1.00 0.00 O ATOM 406 C1' C A 4 -5.120 -1.525 6.013 1.00 0.00 C ATOM 407 N1 C A 4 -4.663 -0.993 4.700 1.00 0.00 N ATOM 408 C2 C A 4 -4.507 -1.893 3.656 1.00 0.00 C ATOM 409 O2 C A 4 -4.818 -3.090 3.818 1.00 0.00 O ATOM 410 N3 C A 4 -4.052 -1.317 2.499 1.00 0.00 N ATOM 411 C4 C A 4 -3.753 -0.059 2.299 1.00 0.00 C ATOM 412 N4 C A 4 -3.383 0.430 1.086 1.00 0.00 N ATOM 413 C5 C A 4 -3.957 0.808 3.375 1.00 0.00 C ATOM 414 C6 C A 4 -4.441 0.292 4.562 1.00 0.00 C ATOM 0 H5' C A 4 -5.651 1.428 8.715 1.00 0.00 H new ATOM 0 H5'' C A 4 -4.159 0.894 9.463 1.00 0.00 H new ATOM 0 H4' C A 4 -5.575 -0.950 8.735 1.00 0.00 H new ATOM 0 H3' C A 4 -2.813 -0.441 7.456 1.00 0.00 H new ATOM 0 H2' C A 4 -3.188 -2.677 6.394 1.00 0.00 H new ATOM 0 HO2' C A 4 -4.417 -3.265 8.525 1.00 0.00 H new ATOM 0 H1' C A 4 -5.870 -2.272 5.751 1.00 0.00 H new ATOM 0 H41 C A 4 -3.160 1.420 0.982 1.00 0.00 H new ATOM 0 H42 C A 4 -3.329 -0.193 0.280 1.00 0.00 H new ATOM 0 H5 C A 4 -3.741 1.862 3.281 1.00 0.00 H new ATOM 0 H6 C A 4 -4.640 0.958 5.389 1.00 0.00 H new ATOM 426 P A A 5 -1.509 -1.632 9.331 1.00 0.00 P ATOM 427 OP1 A A 5 -1.457 -1.456 10.879 1.00 0.00 O ATOM 428 OP2 A A 5 -0.781 -0.470 8.639 1.00 0.00 O1- ATOM 429 O5' A A 5 -0.707 -2.943 8.901 1.00 0.00 O ATOM 430 C5' A A 5 -1.218 -4.235 9.265 1.00 0.00 C ATOM 431 C4' A A 5 -1.358 -5.237 8.084 1.00 0.00 C ATOM 432 O4' A A 5 -2.153 -4.864 6.969 1.00 0.00 O ATOM 433 C3' A A 5 -0.007 -5.364 7.418 1.00 0.00 C ATOM 434 O3' A A 5 0.902 -6.054 8.255 1.00 0.00 O ATOM 435 C2' A A 5 -0.325 -6.042 6.114 1.00 0.00 C ATOM 436 O2' A A 5 -0.537 -7.363 6.494 1.00 0.00 O ATOM 437 C1' A A 5 -1.580 -5.268 5.716 1.00 0.00 C ATOM 438 N9 A A 5 -1.228 -3.991 5.032 1.00 0.00 N ATOM 439 C8 A A 5 -1.156 -2.733 5.453 1.00 0.00 C ATOM 440 N7 A A 5 -0.865 -1.876 4.498 1.00 0.00 N ATOM 441 C5 A A 5 -0.673 -2.589 3.364 1.00 0.00 C ATOM 442 C6 A A 5 -0.330 -2.286 2.059 1.00 0.00 C ATOM 443 N6 A A 5 -0.034 -1.037 1.621 1.00 0.00 N ATOM 444 N1 A A 5 -0.253 -3.256 1.161 1.00 0.00 N ATOM 445 C2 A A 5 -0.480 -4.504 1.592 1.00 0.00 C ATOM 446 N3 A A 5 -0.802 -4.859 2.797 1.00 0.00 N ATOM 447 C4 A A 5 -0.937 -3.925 3.739 1.00 0.00 C ATOM 0 H5' A A 5 -2.195 -4.106 9.731 1.00 0.00 H new ATOM 0 H5'' A A 5 -0.561 -4.671 10.017 1.00 0.00 H new ATOM 0 H4' A A 5 -1.803 -6.102 8.575 1.00 0.00 H new ATOM 0 H3' A A 5 0.505 -4.419 7.236 1.00 0.00 H new ATOM 0 H2' A A 5 0.389 -6.049 5.290 1.00 0.00 H new ATOM 0 HO2' A A 5 -0.180 -7.506 7.395 1.00 0.00 H new ATOM 0 H1' A A 5 -2.213 -5.874 5.068 1.00 0.00 H new ATOM 0 H8 A A 5 -1.320 -2.442 6.480 1.00 0.00 H new ATOM 0 H61 A A 5 0.211 -0.884 0.643 1.00 0.00 H new ATOM 0 H62 A A 5 -0.057 -0.250 2.270 1.00 0.00 H new ATOM 0 H2 A A 5 -0.385 -5.294 0.862 1.00 0.00 H new ATOM 459 P G A 6 2.374 -5.849 7.966 1.00 0.00 P ATOM 460 OP1 G A 6 3.165 -6.688 9.050 1.00 0.00 O ATOM 461 OP2 G A 6 2.696 -4.333 8.068 1.00 0.00 O1- ATOM 462 O5' G A 6 2.865 -6.478 6.598 1.00 0.00 O ATOM 463 C5' G A 6 2.791 -7.900 6.456 1.00 0.00 C ATOM 464 C4' G A 6 3.257 -8.216 5.013 1.00 0.00 C ATOM 465 O4' G A 6 2.362 -7.621 4.072 1.00 0.00 O ATOM 466 C3' G A 6 4.591 -7.670 4.615 1.00 0.00 C ATOM 467 O3' G A 6 5.645 -8.461 5.088 1.00 0.00 O ATOM 468 C2' G A 6 4.533 -7.659 3.083 1.00 0.00 C ATOM 469 O2' G A 6 4.894 -8.915 2.488 1.00 0.00 O ATOM 470 C1' G A 6 3.021 -7.222 2.860 1.00 0.00 C ATOM 471 N9 G A 6 2.878 -5.780 2.781 1.00 0.00 N ATOM 472 C8 G A 6 2.406 -4.846 3.551 1.00 0.00 C ATOM 473 N7 G A 6 2.452 -3.543 3.076 1.00 0.00 N ATOM 474 C5 G A 6 2.969 -3.704 1.864 1.00 0.00 C ATOM 475 C6 G A 6 3.188 -2.729 0.863 1.00 0.00 C ATOM 476 O6 G A 6 2.823 -1.567 0.883 1.00 0.00 O ATOM 477 N1 G A 6 3.709 -3.227 -0.347 1.00 0.00 N ATOM 478 C2 G A 6 3.950 -4.523 -0.569 1.00 0.00 C ATOM 479 N2 G A 6 4.266 -4.985 -1.807 1.00 0.00 N ATOM 480 N3 G A 6 3.705 -5.464 0.414 1.00 0.00 N ATOM 481 C4 G A 6 3.224 -5.038 1.610 1.00 0.00 C ATOM 0 H5' G A 6 1.774 -8.255 6.623 1.00 0.00 H new ATOM 0 H5'' G A 6 3.427 -8.398 7.188 1.00 0.00 H new ATOM 0 H4' G A 6 3.296 -9.305 5.006 1.00 0.00 H new ATOM 0 H3' G A 6 4.780 -6.683 5.038 1.00 0.00 H new ATOM 0 H2' G A 6 5.253 -6.999 2.599 1.00 0.00 H new ATOM 0 HO2' G A 6 4.836 -8.843 1.512 1.00 0.00 H new ATOM 0 H1' G A 6 2.631 -7.658 1.940 1.00 0.00 H new ATOM 0 H8 G A 6 1.994 -5.075 4.523 1.00 0.00 H new ATOM 0 H1 G A 6 3.913 -2.563 -1.094 1.00 0.00 H new ATOM 0 H21 G A 6 4.445 -5.979 -1.950 1.00 0.00 H new ATOM 0 H22 G A 6 4.324 -4.338 -2.593 1.00 0.00 H new ATOM 493 P C A 7 7.083 -7.853 5.332 1.00 0.00 P ATOM 494 OP1 C A 7 7.932 -8.913 6.055 1.00 0.00 O ATOM 495 OP2 C A 7 6.916 -6.588 6.166 1.00 0.00 O1- ATOM 496 O5' C A 7 7.781 -7.551 3.957 1.00 0.00 O ATOM 497 C5' C A 7 8.104 -8.614 3.106 1.00 0.00 C ATOM 498 C4' C A 7 8.379 -8.133 1.726 1.00 0.00 C ATOM 499 O4' C A 7 7.336 -7.451 1.035 1.00 0.00 O ATOM 500 C3' C A 7 9.533 -7.133 1.755 1.00 0.00 C ATOM 501 O3' C A 7 10.793 -7.814 1.907 1.00 0.00 O ATOM 502 C2' C A 7 9.407 -6.525 0.395 1.00 0.00 C ATOM 503 O2' C A 7 9.805 -7.313 -0.725 1.00 0.00 O ATOM 504 C1' C A 7 7.894 -6.327 0.376 1.00 0.00 C ATOM 505 N1 C A 7 7.314 -5.039 0.874 1.00 0.00 N ATOM 506 C2 C A 7 7.332 -3.940 0.024 1.00 0.00 C ATOM 507 O2 C A 7 7.831 -3.982 -1.105 1.00 0.00 O ATOM 508 N3 C A 7 6.786 -2.770 0.565 1.00 0.00 N ATOM 509 C4 C A 7 6.265 -2.715 1.769 1.00 0.00 C ATOM 510 N4 C A 7 5.764 -1.579 2.243 1.00 0.00 N ATOM 511 C5 C A 7 6.211 -3.780 2.608 1.00 0.00 C ATOM 512 C6 C A 7 6.789 -4.922 2.089 1.00 0.00 C ATOM 0 H5' C A 7 7.283 -9.331 3.087 1.00 0.00 H new ATOM 0 H5'' C A 7 8.978 -9.140 3.492 1.00 0.00 H new ATOM 0 H4' C A 7 8.565 -9.066 1.194 1.00 0.00 H new ATOM 0 H3' C A 7 9.498 -6.415 2.575 1.00 0.00 H new ATOM 0 H2' C A 7 10.061 -5.661 0.278 1.00 0.00 H new ATOM 0 HO2' C A 7 9.671 -6.801 -1.550 1.00 0.00 H new ATOM 0 H1' C A 7 7.621 -6.245 -0.676 1.00 0.00 H new ATOM 0 H41 C A 7 5.362 -1.551 3.180 1.00 0.00 H new ATOM 0 H42 C A 7 5.781 -0.736 1.670 1.00 0.00 H new ATOM 0 H5 C A 7 5.759 -3.739 3.588 1.00 0.00 H new ATOM 0 H6 C A 7 6.817 -5.794 2.725 1.00 0.00 H new ATOM 524 P G A 8 11.959 -7.008 2.523 1.00 0.00 P ATOM 525 OP1 G A 8 13.121 -8.017 2.801 1.00 0.00 O ATOM 526 OP2 G A 8 11.468 -6.309 3.814 1.00 0.00 O1- ATOM 527 O5' G A 8 12.524 -5.979 1.507 1.00 0.00 O ATOM 528 C5' G A 8 13.005 -6.423 0.228 1.00 0.00 C ATOM 529 C4' G A 8 13.135 -5.266 -0.788 1.00 0.00 C ATOM 530 O4' G A 8 11.908 -4.656 -1.112 1.00 0.00 O ATOM 531 C3' G A 8 13.928 -4.112 -0.259 1.00 0.00 C ATOM 532 O3' G A 8 15.357 -4.347 -0.318 1.00 0.00 O ATOM 533 C2' G A 8 13.418 -2.939 -1.098 1.00 0.00 C ATOM 534 O2' G A 8 14.067 -2.843 -2.344 1.00 0.00 O ATOM 535 C1' G A 8 11.908 -3.257 -1.187 1.00 0.00 C ATOM 536 N9 G A 8 11.194 -2.607 -0.105 1.00 0.00 N ATOM 537 C8 G A 8 10.612 -3.070 1.025 1.00 0.00 C ATOM 538 N7 G A 8 9.870 -2.224 1.745 1.00 0.00 N ATOM 539 C5 G A 8 9.936 -1.089 1.000 1.00 0.00 C ATOM 540 C6 G A 8 9.337 0.182 1.120 1.00 0.00 C ATOM 541 O6 G A 8 8.518 0.487 1.956 1.00 0.00 O ATOM 542 N1 G A 8 9.611 1.082 0.083 1.00 0.00 N ATOM 543 C2 G A 8 10.455 0.791 -0.931 1.00 0.00 C ATOM 544 N2 G A 8 10.767 1.766 -1.791 1.00 0.00 N ATOM 545 N3 G A 8 11.031 -0.353 -1.091 1.00 0.00 N ATOM 546 C4 G A 8 10.788 -1.288 -0.171 1.00 0.00 C ATOM 0 H5' G A 8 12.327 -7.178 -0.170 1.00 0.00 H new ATOM 0 H5'' G A 8 13.976 -6.902 0.355 1.00 0.00 H new ATOM 0 H4' G A 8 13.599 -5.763 -1.640 1.00 0.00 H new ATOM 0 H3' G A 8 13.789 -3.924 0.806 1.00 0.00 H new ATOM 0 H2' G A 8 13.616 -1.956 -0.670 1.00 0.00 H new ATOM 0 HO2' G A 8 13.706 -2.081 -2.843 1.00 0.00 H new ATOM 0 H1' G A 8 11.402 -2.897 -2.083 1.00 0.00 H new ATOM 0 H8 G A 8 10.744 -4.096 1.337 1.00 0.00 H new ATOM 0 H1 G A 8 9.155 1.994 0.094 1.00 0.00 H new ATOM 0 H21 G A 8 11.402 1.578 -2.567 1.00 0.00 H new ATOM 0 H22 G A 8 10.370 2.698 -1.671 1.00 0.00 H new ATOM 558 P G A 9 16.297 -3.629 0.745 1.00 0.00 P ATOM 559 OP1 G A 9 17.690 -4.317 0.613 1.00 0.00 O ATOM 560 OP2 G A 9 15.730 -3.780 2.146 1.00 0.00 O1- ATOM 561 O5' G A 9 16.418 -2.120 0.351 1.00 0.00 O ATOM 562 C5' G A 9 16.987 -1.790 -0.917 1.00 0.00 C ATOM 563 C4' G A 9 16.644 -0.328 -1.173 1.00 0.00 C ATOM 564 O4' G A 9 15.290 -0.099 -1.222 1.00 0.00 O ATOM 565 C3' G A 9 17.200 0.662 -0.131 1.00 0.00 C ATOM 566 O3' G A 9 18.580 0.849 -0.369 1.00 0.00 O1- ATOM 567 C2' G A 9 16.357 1.887 -0.420 1.00 0.00 C ATOM 568 O2' G A 9 16.956 2.586 -1.487 1.00 0.00 O ATOM 569 C1' G A 9 15.028 1.226 -0.796 1.00 0.00 C ATOM 570 N9 G A 9 14.126 1.048 0.389 1.00 0.00 N ATOM 571 C8 G A 9 13.764 -0.043 1.102 1.00 0.00 C ATOM 572 N7 G A 9 12.910 0.213 2.051 1.00 0.00 N ATOM 573 C5 G A 9 12.630 1.525 1.966 1.00 0.00 C ATOM 574 C6 G A 9 11.713 2.393 2.638 1.00 0.00 C ATOM 575 O6 G A 9 10.924 2.121 3.505 1.00 0.00 O ATOM 576 N1 G A 9 11.713 3.670 2.217 1.00 0.00 N ATOM 577 C2 G A 9 12.492 4.120 1.244 1.00 0.00 C ATOM 578 N2 G A 9 12.380 5.423 0.848 1.00 0.00 N ATOM 579 N3 G A 9 13.348 3.348 0.559 1.00 0.00 N ATOM 580 C4 G A 9 13.349 2.055 0.907 1.00 0.00 C ATOM 0 H5' G A 9 16.582 -2.428 -1.703 1.00 0.00 H new ATOM 0 H5'' G A 9 18.067 -1.940 -0.910 1.00 0.00 H new ATOM 0 H4' G A 9 17.120 -0.148 -2.137 1.00 0.00 H new ATOM 0 H3' G A 9 17.140 0.360 0.915 1.00 0.00 H new ATOM 0 H2' G A 9 16.245 2.620 0.379 1.00 0.00 H new ATOM 0 HO2' G A 9 17.863 2.246 -1.632 1.00 0.00 H new ATOM 0 HO3' G A 9 18.943 1.479 0.288 1.00 0.00 H new ATOM 0 H1' G A 9 14.565 1.864 -1.549 1.00 0.00 H new ATOM 0 H8 G A 9 14.147 -1.033 0.903 1.00 0.00 H new ATOM 0 H1 G A 9 11.079 4.328 2.671 1.00 0.00 H new ATOM 0 H21 G A 9 12.974 5.782 0.100 1.00 0.00 H new ATOM 0 H22 G A 9 11.703 6.037 1.300 1.00 0.00 H new TER 592 G A 9 END