USER MOD reduce.3.24.130724 H: found=0, std=0, add=200, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 200 hydrogens (0 hets) HEADER RNA 07-JAN-11 2L8C TITLE NMR SPECTROSCOPY AND MOLECULAR DYNAMICS SIMULATION OF R(CCGCUGCGG)2 TITLE 2 REVEAL A DYNAMIC UU INTERNAL LOOP FOUND IN MYOTONIC DYSTROPHY TYPE 1 TITLE 3 - UU PAIR WITH ZERO HYDROGEN BOND PAIRS COMPND MOL_ID: 1; COMPND 2 MOLECULE: RNA (5'-R(*CP*CP*GP*CP*UP*GP*CP*GP*G)-3'); COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES KEYWDS UU MISMATCH, RNA EXPDTA SOLUTION NMR AUTHOR R.PARKESH,M.A.FOUNTAIN,M.D.DISNEY REVDAT 1 23-FEB-11 2L8C 0 JRNL AUTH R.PARKESH,M.FOUNTAIN,M.D.DISNEY JRNL TITL NMR SPECTROSCOPY AND MOLECULAR DYNAMICS SIMULATION OF JRNL TITL 2 R(CCGCUGCGG)(2) REVEAL A DYNAMIC UU INTERNAL LOOP FOUND IN JRNL TITL 3 MYOTONIC DYSTROPHY TYPE 1. JRNL REF BIOCHEMISTRY V. 50 599 2011 JRNL REFN ISSN 0006-2960 JRNL PMID 21204525 JRNL DOI 10.1021/BI101896J REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : AMBER 11 REMARK 3 AUTHORS : CASE, DARDEN, CHEATHAM, III, SIMMERLING, WANG, REMARK 3 DUKE, LUO, AND KOLLM REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2L8C COMPLIES WITH FORMAT V. 3.20, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 13-JAN-11. REMARK 100 THE RCSB ID CODE IS RCSB102083. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 313 REMARK 210 PH : 7.2 REMARK 210 IONIC STRENGTH : 0.1 REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1.5 MM RNA (5'-R(*CP*CP*GP*CP* REMARK 210 UP*GP*CP*GP*G)-3'), 100% 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 : 500 MHZ REMARK 210 SPECTROMETER MODEL : INOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : CYANA 2.1, SPARKY 3.111, AMBER 11 REMARK 210 METHOD USED : MOLECULAR DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 25 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH ACCEPTABLE REMARK 210 COVALENT GEOMETRY 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: A, B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O6 G A 8 H41 C B 11 1.72 REMARK 500 H41 C A 2 O6 G B 17 1.75 REMARK 500 HO2' C B 11 O5' G B 12 1.80 REMARK 500 H21 G A 8 O2 C B 11 1.85 REMARK 500 H1 G A 8 N3 C B 11 1.85 REMARK 500 H21 G A 6 O2 C B 13 1.87 REMARK 500 O2 C A 4 H21 G B 15 1.87 REMARK 500 H41 C A 1 O6 G B 18 1.88 REMARK 500 H21 G A 9 O2 C B 10 1.88 REMARK 500 H21 G A 3 O2 C B 16 1.88 REMARK 500 N3 C A 2 H1 G B 17 1.89 REMARK 500 H1 G A 9 N3 C B 10 1.90 REMARK 500 O6 G A 6 H41 C B 13 1.93 REMARK 500 HO2' C B 13 O5' U B 14 1.96 REMARK 500 H1 G A 6 N3 C B 13 1.96 REMARK 500 O2 C A 2 H21 G B 17 1.96 REMARK 500 H1 G A 3 N3 C B 16 1.97 REMARK 500 O6 G A 9 H41 C B 10 1.98 REMARK 500 H41 C A 4 O6 G B 15 1.99 REMARK 500 O6 G A 3 H41 C B 16 2.01 REMARK 500 N3 C A 4 H1 G B 15 2.02 REMARK 500 N3 C A 1 H1 G B 18 2.04 REMARK 500 H41 C A 7 O6 G B 12 2.07 REMARK 500 O2 C A 1 H21 G B 18 2.08 REMARK 500 HO2' C B 16 O5' G B 17 2.09 REMARK 500 HO2' C B 16 O4' G B 17 2.13 REMARK 500 HO2' C A 2 O4' G A 3 2.15 REMARK 500 O2 C A 7 H21 G B 12 2.16 REMARK 500 REMARK 500 REMARK: NULL 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 A 1 C4 C A 1 N4 -0.065 REMARK 500 G A 3 C5 G A 3 N7 0.049 REMARK 500 C A 4 C4 C A 4 N4 -0.074 REMARK 500 C A 4 N1 C A 4 C6 0.047 REMARK 500 G A 6 P G A 6 O5' 0.068 REMARK 500 G A 6 C5' G A 6 C4' 0.090 REMARK 500 G A 6 C3' G A 6 C2' 0.085 REMARK 500 G A 8 N3 G A 8 C4 0.073 REMARK 500 G A 8 N7 G A 8 C8 0.043 REMARK 500 G A 9 C2' G A 9 C1' -0.079 REMARK 500 G A 9 C4 G A 9 C5 0.051 REMARK 500 C B 10 C3' C B 10 C2' 0.078 REMARK 500 C B 11 P C B 11 O5' -0.065 REMARK 500 C B 11 C5' C B 11 C4' 0.121 REMARK 500 C B 11 C4 C B 11 N4 -0.069 REMARK 500 G B 12 C4 G B 12 C5 0.064 REMARK 500 C B 13 C4 C B 13 N4 0.078 REMARK 500 C B 13 C2 C B 13 N3 -0.078 REMARK 500 G B 15 C3' G B 15 C2' -0.079 REMARK 500 G B 15 C2 G B 15 N2 -0.063 REMARK 500 C B 16 C2' C B 16 C1' 0.068 REMARK 500 G B 17 C2 G B 17 N2 -0.064 REMARK 500 G B 18 N3 G B 18 C4 0.047 REMARK 500 G B 18 C6 G B 18 N1 -0.051 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 A 1 O4' - C4' - C3' ANGL. DEV. = 5.6 DEGREES REMARK 500 C A 1 C5' - C4' - O4' ANGL. DEV. = 8.1 DEGREES REMARK 500 C A 1 C1' - O4' - C4' ANGL. DEV. = -6.0 DEGREES REMARK 500 C A 1 C4' - C3' - C2' ANGL. DEV. = -6.5 DEGREES REMARK 500 C A 2 O5' - C5' - C4' ANGL. DEV. = 13.6 DEGREES REMARK 500 C A 2 C1' - O4' - C4' ANGL. DEV. = -6.1 DEGREES REMARK 500 C A 2 C3' - C2' - C1' ANGL. DEV. = -6.1 DEGREES REMARK 500 C A 2 O4' - C1' - N1 ANGL. DEV. = 14.1 DEGREES REMARK 500 C A 2 C2 - N3 - C4 ANGL. DEV. = -3.4 DEGREES REMARK 500 C A 2 N3 - C4 - C5 ANGL. DEV. = 2.5 DEGREES REMARK 500 G A 3 C6 - N1 - C2 ANGL. DEV. = -6.0 DEGREES REMARK 500 G A 3 N1 - C2 - N3 ANGL. DEV. = 5.4 DEGREES REMARK 500 G A 3 C5 - C6 - N1 ANGL. DEV. = 3.3 DEGREES REMARK 500 G A 3 N3 - C2 - N2 ANGL. DEV. = -6.2 DEGREES REMARK 500 G A 3 C5 - C6 - O6 ANGL. DEV. = -4.3 DEGREES REMARK 500 C A 4 C5' - C4' - O4' ANGL. DEV. = 8.9 DEGREES REMARK 500 C A 4 C6 - N1 - C2 ANGL. DEV. = -2.8 DEGREES REMARK 500 C A 4 N3 - C2 - O2 ANGL. DEV. = -6.6 DEGREES REMARK 500 C A 4 N3 - C4 - N4 ANGL. DEV. = -4.7 DEGREES REMARK 500 U A 5 N3 - C4 - C5 ANGL. DEV. = -5.5 DEGREES REMARK 500 U A 5 C4 - C5 - C6 ANGL. DEV. = 7.9 DEGREES REMARK 500 U A 5 C5 - C6 - N1 ANGL. DEV. = -6.5 DEGREES REMARK 500 G A 6 C2 - N3 - C4 ANGL. DEV. = 3.8 DEGREES REMARK 500 G A 6 C5 - C6 - N1 ANGL. DEV. = 4.2 DEGREES REMARK 500 G A 6 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES REMARK 500 G A 6 N9 - C4 - C5 ANGL. DEV. = 3.5 DEGREES REMARK 500 G A 6 C6 - C5 - N7 ANGL. DEV. = 4.6 DEGREES REMARK 500 G A 6 N1 - C6 - O6 ANGL. DEV. = -5.6 DEGREES REMARK 500 C A 7 O4' - C1' - N1 ANGL. DEV. = 5.2 DEGREES REMARK 500 C A 7 C6 - N1 - C2 ANGL. DEV. = -4.3 DEGREES REMARK 500 C A 7 N3 - C4 - C5 ANGL. DEV. = -3.0 DEGREES REMARK 500 G A 8 O4' - C1' - N9 ANGL. DEV. = 6.2 DEGREES REMARK 500 G A 8 C4 - C5 - N7 ANGL. DEV. = 4.2 DEGREES REMARK 500 G A 8 C5 - N7 - C8 ANGL. DEV. = -4.7 DEGREES REMARK 500 G A 9 C4 - C5 - C6 ANGL. DEV. = -5.0 DEGREES REMARK 500 G A 9 C5 - C6 - N1 ANGL. DEV. = 4.3 DEGREES REMARK 500 G A 9 C5 - N7 - C8 ANGL. DEV. = -3.4 DEGREES REMARK 500 G A 9 N1 - C6 - O6 ANGL. DEV. = -5.7 DEGREES REMARK 500 C B 10 O4' - C1' - N1 ANGL. DEV. = 5.2 DEGREES REMARK 500 C B 10 C6 - N1 - C2 ANGL. DEV. = -2.7 DEGREES REMARK 500 C B 10 C2 - N3 - C4 ANGL. DEV. = -3.2 DEGREES REMARK 500 C B 10 N3 - C4 - C5 ANGL. DEV. = 4.1 DEGREES REMARK 500 C B 10 C4 - C5 - C6 ANGL. DEV. = -3.6 DEGREES REMARK 500 C B 10 N3 - C2 - O2 ANGL. DEV. = -5.2 DEGREES REMARK 500 C B 10 C5 - C4 - N4 ANGL. DEV. = -4.8 DEGREES REMARK 500 C B 11 O4' - C1' - N1 ANGL. DEV. = 7.3 DEGREES REMARK 500 C B 11 C6 - N1 - C2 ANGL. DEV. = 4.2 DEGREES REMARK 500 C B 11 C2 - N3 - C4 ANGL. DEV. = -3.2 DEGREES REMARK 500 C B 11 N3 - C4 - C5 ANGL. DEV. = 5.9 DEGREES REMARK 500 C B 11 C5 - C6 - N1 ANGL. DEV. = -3.8 DEGREES REMARK 500 REMARK 500 THIS ENTRY HAS 82 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 C A 1 0.07 SIDE CHAIN REMARK 500 C A 4 0.15 SIDE CHAIN REMARK 500 G A 9 0.05 SIDE CHAIN REMARK 500 C B 11 0.07 SIDE CHAIN REMARK 500 G B 12 0.09 SIDE CHAIN REMARK 500 G B 15 0.08 SIDE CHAIN REMARK 500 C B 16 0.12 SIDE CHAIN REMARK 500 G B 17 0.07 SIDE CHAIN REMARK 500 G B 18 0.10 SIDE CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 17401 RELATED DB: BMRB DBREF 2L8C A 1 9 PDB 2L8C 2L8C 1 9 DBREF 2L8C B 10 18 PDB 2L8C 2L8C 10 18 SEQRES 1 A 9 C C G C U G C G G SEQRES 1 B 9 C C G C U 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 -20:sc= 0.0635 USER MOD Single : A 1 C O5' : rot 180:sc= 0 USER MOD Single : A 2 C O2' : rot -115:sc= 0.286 USER MOD Single : A 3 G O2' : rot -77:sc= 0.157 USER MOD Single : A 4 C O2' : rot 180:sc= 0 USER MOD Single : A 5 U O2' : rot -120:sc= 0.213 USER MOD Single : A 6 G O2' : rot -10:sc= 0.029 USER MOD Single : A 7 C O2' : rot 180:sc=-0.00422 USER MOD Single : A 8 G O2' : rot 180:sc= -0.368 USER MOD Single : A 9 G O2' : rot 180:sc= 0 USER MOD Single : A 9 G O3' : rot 90:sc= 0.00284 USER MOD Single : B 10 C O2' : rot -126:sc= 0.249 USER MOD Single : B 10 C O5' : rot 180:sc= 0 USER MOD Single : B 11 C O2' : rot -69:sc= 1.14 USER MOD Single : B 12 G O2' : rot -30:sc= 0.0551 USER MOD Single : B 13 C O2' : rot -62:sc= 0.665 USER MOD Single : B 14 U O2' : rot -29:sc= 0.23 USER MOD Single : B 15 G O2' : rot 180:sc= 0 USER MOD Single : B 16 C O2' : rot -59:sc= 1.01 USER MOD Single : B 17 G O2' : rot -20:sc= 0.141 USER MOD Single : B 18 G O2' : rot -18:sc= 0.0777 USER MOD Single : B 18 G O3' : rot 180:sc= 0.0974 USER MOD ----------------------------------------------------------------- ATOM 1 O5' C A 1 35.985 29.174 30.873 1.00 0.00 O ATOM 2 C5' C A 1 36.469 29.623 29.619 1.00 0.00 C ATOM 3 C4' C A 1 36.326 28.567 28.605 1.00 0.00 C ATOM 4 O4' C A 1 36.781 27.234 28.946 1.00 0.00 O ATOM 5 C3' C A 1 34.859 28.566 28.137 1.00 0.00 C ATOM 6 O3' C A 1 34.600 29.599 27.246 1.00 0.00 O ATOM 7 C2' C A 1 34.922 27.226 27.405 1.00 0.00 C ATOM 8 O2' C A 1 35.456 27.248 26.111 1.00 0.00 O ATOM 9 C1' C A 1 35.852 26.364 28.243 1.00 0.00 C ATOM 10 N1 C A 1 35.100 25.516 29.273 1.00 0.00 N ATOM 11 C2 C A 1 34.608 24.250 28.833 1.00 0.00 C ATOM 12 O2 C A 1 34.612 23.929 27.594 1.00 0.00 O ATOM 13 N3 C A 1 34.185 23.394 29.773 1.00 0.00 N ATOM 14 C4 C A 1 34.180 23.687 31.036 1.00 0.00 C ATOM 15 N4 C A 1 33.751 22.815 31.854 1.00 0.00 N ATOM 16 C5 C A 1 34.673 24.934 31.519 1.00 0.00 C ATOM 17 C6 C A 1 35.144 25.828 30.637 1.00 0.00 C ATOM 0 H5' C A 1 37.517 29.910 29.708 1.00 0.00 H new ATOM 0 H5'' C A 1 35.920 30.512 29.307 1.00 0.00 H new ATOM 0 H4' C A 1 37.022 28.827 27.807 1.00 0.00 H new ATOM 0 H3' C A 1 34.098 28.691 28.907 1.00 0.00 H new ATOM 0 H2' C A 1 33.896 26.875 27.291 1.00 0.00 H new ATOM 0 HO2' C A 1 35.417 28.161 25.757 1.00 0.00 H new ATOM 0 HO5' C A 1 36.088 29.887 31.538 1.00 0.00 H new ATOM 0 H1' C A 1 36.369 25.682 27.569 1.00 0.00 H new ATOM 0 H41 C A 1 33.735 23.017 32.854 1.00 0.00 H new ATOM 0 H42 C A 1 33.422 21.912 31.511 1.00 0.00 H new ATOM 0 H5 C A 1 34.667 25.155 32.576 1.00 0.00 H new ATOM 0 H6 C A 1 35.550 26.771 30.973 1.00 0.00 H new ATOM 30 P C A 2 33.077 30.059 26.994 1.00 0.00 P ATOM 31 OP1 C A 2 33.005 31.006 25.881 1.00 0.00 O ATOM 32 OP2 C A 2 32.556 30.398 28.317 1.00 0.00 O ATOM 33 O5' C A 2 32.246 28.684 26.661 1.00 0.00 O ATOM 34 C5' C A 2 31.997 28.070 25.412 1.00 0.00 C ATOM 35 C4' C A 2 31.296 26.710 25.210 1.00 0.00 C ATOM 36 O4' C A 2 31.898 25.669 26.017 1.00 0.00 O ATOM 37 C3' C A 2 29.899 26.824 25.698 1.00 0.00 C ATOM 38 O3' C A 2 29.114 27.574 24.701 1.00 0.00 O ATOM 39 C2' C A 2 29.424 25.356 25.836 1.00 0.00 C ATOM 40 O2' C A 2 28.973 24.751 24.606 1.00 0.00 O ATOM 41 C1' C A 2 30.765 24.825 26.390 1.00 0.00 C ATOM 42 N1 C A 2 30.564 24.331 27.758 1.00 0.00 N ATOM 43 C2 C A 2 29.960 23.110 28.013 1.00 0.00 C ATOM 44 O2 C A 2 29.701 22.394 27.043 1.00 0.00 O ATOM 45 N3 C A 2 29.616 22.726 29.278 1.00 0.00 N ATOM 46 C4 C A 2 29.985 23.523 30.254 1.00 0.00 C ATOM 47 N4 C A 2 29.693 23.139 31.537 1.00 0.00 N ATOM 48 C5 C A 2 30.662 24.764 30.068 1.00 0.00 C ATOM 49 C6 C A 2 30.889 25.137 28.825 1.00 0.00 C ATOM 0 H5' C A 2 32.968 27.979 24.926 1.00 0.00 H new ATOM 0 H5'' C A 2 31.418 28.792 24.836 1.00 0.00 H new ATOM 0 H4' C A 2 31.370 26.461 24.151 1.00 0.00 H new ATOM 0 H3' C A 2 29.794 27.356 26.643 1.00 0.00 H new ATOM 0 H2' C A 2 28.535 25.165 26.437 1.00 0.00 H new ATOM 0 HO2' C A 2 28.015 24.554 24.670 1.00 0.00 H new ATOM 0 H1' C A 2 31.120 23.920 25.898 1.00 0.00 H new ATOM 0 H41 C A 2 29.964 23.732 32.321 1.00 0.00 H new ATOM 0 H42 C A 2 29.205 22.260 31.708 1.00 0.00 H new ATOM 0 H5 C A 2 30.974 25.369 30.906 1.00 0.00 H new ATOM 0 H6 C A 2 31.342 26.100 28.639 1.00 0.00 H new ATOM 61 P G A 3 27.675 28.215 25.032 1.00 0.00 P ATOM 62 OP1 G A 3 27.244 29.030 23.876 1.00 0.00 O ATOM 63 OP2 G A 3 27.896 28.922 26.342 1.00 0.00 O ATOM 64 O5' G A 3 26.587 27.108 25.297 1.00 0.00 O ATOM 65 C5' G A 3 26.080 26.474 24.111 1.00 0.00 C ATOM 66 C4' G A 3 25.189 25.286 24.469 1.00 0.00 C ATOM 67 O4' G A 3 25.977 24.266 25.121 1.00 0.00 O ATOM 68 C3' G A 3 24.021 25.561 25.350 1.00 0.00 C ATOM 69 O3' G A 3 22.875 26.162 24.814 1.00 0.00 O ATOM 70 C2' G A 3 23.676 24.148 25.854 1.00 0.00 C ATOM 71 O2' G A 3 23.045 23.406 24.828 1.00 0.00 O ATOM 72 C1' G A 3 25.082 23.646 26.117 1.00 0.00 C ATOM 73 N9 G A 3 25.630 23.859 27.463 1.00 0.00 N ATOM 74 C8 G A 3 26.347 24.966 27.961 1.00 0.00 C ATOM 75 N7 G A 3 26.574 24.849 29.211 1.00 0.00 N ATOM 76 C5 G A 3 25.884 23.665 29.643 1.00 0.00 C ATOM 77 C6 G A 3 25.835 22.968 30.915 1.00 0.00 C ATOM 78 O6 G A 3 26.352 23.385 31.959 1.00 0.00 O ATOM 79 N1 G A 3 25.184 21.698 30.877 1.00 0.00 N ATOM 80 C2 G A 3 24.591 21.300 29.733 1.00 0.00 C ATOM 81 N2 G A 3 23.789 20.258 29.827 1.00 0.00 N ATOM 82 N3 G A 3 24.530 21.911 28.573 1.00 0.00 N ATOM 83 C4 G A 3 25.294 23.031 28.550 1.00 0.00 C ATOM 0 H5' G A 3 26.910 26.137 23.490 1.00 0.00 H new ATOM 0 H5'' G A 3 25.513 27.195 23.522 1.00 0.00 H new ATOM 0 H4' G A 3 24.779 24.981 23.506 1.00 0.00 H new ATOM 0 H3' G A 3 24.311 26.319 26.078 1.00 0.00 H new ATOM 0 H2' G A 3 22.995 24.088 26.703 1.00 0.00 H new ATOM 0 HO2' G A 3 22.111 23.690 24.746 1.00 0.00 H new ATOM 0 H1' G A 3 25.019 22.561 26.035 1.00 0.00 H new ATOM 0 H8 G A 3 26.664 25.806 27.361 1.00 0.00 H new ATOM 0 H1 G A 3 25.168 21.100 31.703 1.00 0.00 H new ATOM 0 H21 G A 3 23.310 19.907 28.998 1.00 0.00 H new ATOM 0 H22 G A 3 23.648 19.803 30.729 1.00 0.00 H new ATOM 95 P C A 4 21.645 26.562 25.699 1.00 0.00 P ATOM 96 OP1 C A 4 20.890 27.663 25.071 1.00 0.00 O ATOM 97 OP2 C A 4 22.068 26.878 27.060 1.00 0.00 O ATOM 98 O5' C A 4 20.776 25.164 25.656 1.00 0.00 O ATOM 99 C5' C A 4 19.841 24.958 26.679 1.00 0.00 C ATOM 100 C4' C A 4 19.896 23.498 27.101 1.00 0.00 C ATOM 101 O4' C A 4 21.122 22.968 27.534 1.00 0.00 O ATOM 102 C3' C A 4 18.903 23.333 28.315 1.00 0.00 C ATOM 103 O3' C A 4 17.521 23.132 27.961 1.00 0.00 O ATOM 104 C2' C A 4 19.509 22.258 29.101 1.00 0.00 C ATOM 105 O2' C A 4 19.149 20.890 28.765 1.00 0.00 O ATOM 106 C1' C A 4 21.006 22.443 28.858 1.00 0.00 C ATOM 107 N1 C A 4 21.508 23.413 29.905 1.00 0.00 N ATOM 108 C2 C A 4 21.558 23.006 31.218 1.00 0.00 C ATOM 109 O2 C A 4 20.915 21.998 31.611 1.00 0.00 O ATOM 110 N3 C A 4 22.471 23.522 32.132 1.00 0.00 N ATOM 111 C4 C A 4 23.157 24.566 31.761 1.00 0.00 C ATOM 112 N4 C A 4 23.940 24.991 32.654 1.00 0.00 N ATOM 113 C5 C A 4 23.062 25.152 30.443 1.00 0.00 C ATOM 114 C6 C A 4 22.288 24.534 29.540 1.00 0.00 C ATOM 0 H5' C A 4 18.840 25.214 26.333 1.00 0.00 H new ATOM 0 H5'' C A 4 20.060 25.606 27.528 1.00 0.00 H new ATOM 0 H4' C A 4 19.659 22.953 26.187 1.00 0.00 H new ATOM 0 H3' C A 4 18.802 24.255 28.888 1.00 0.00 H new ATOM 0 H2' C A 4 19.157 22.352 30.128 1.00 0.00 H new ATOM 0 HO2' C A 4 19.621 20.272 29.361 1.00 0.00 H new ATOM 0 H1' C A 4 21.591 21.527 28.936 1.00 0.00 H new ATOM 0 H41 C A 4 24.527 25.805 32.472 1.00 0.00 H new ATOM 0 H42 C A 4 23.986 24.520 33.558 1.00 0.00 H new ATOM 0 H5 C A 4 23.596 26.057 30.194 1.00 0.00 H new ATOM 0 H6 C A 4 22.260 24.896 28.523 1.00 0.00 H new ATOM 126 P U A 5 16.358 23.962 28.545 1.00 0.00 P ATOM 127 OP1 U A 5 15.156 23.248 27.975 1.00 0.00 O ATOM 128 OP2 U A 5 16.578 25.397 28.285 1.00 0.00 O ATOM 129 O5' U A 5 16.378 23.782 30.096 1.00 0.00 O ATOM 130 C5' U A 5 16.184 22.545 30.725 1.00 0.00 C ATOM 131 C4' U A 5 16.432 22.547 32.236 1.00 0.00 C ATOM 132 O4' U A 5 17.841 22.619 32.489 1.00 0.00 O ATOM 133 C3' U A 5 15.920 23.670 33.199 1.00 0.00 C ATOM 134 O3' U A 5 14.520 23.395 33.385 1.00 0.00 O ATOM 135 C2' U A 5 16.770 23.535 34.427 1.00 0.00 C ATOM 136 O2' U A 5 16.259 22.617 35.323 1.00 0.00 O ATOM 137 C1' U A 5 18.080 23.160 33.774 1.00 0.00 C ATOM 138 N1 U A 5 19.076 24.185 33.722 1.00 0.00 N ATOM 139 C2 U A 5 19.826 24.434 34.831 1.00 0.00 C ATOM 140 O2 U A 5 19.735 23.766 35.840 1.00 0.00 O ATOM 141 N3 U A 5 20.676 25.552 34.797 1.00 0.00 N ATOM 142 C4 U A 5 20.951 26.337 33.654 1.00 0.00 C ATOM 143 O4 U A 5 21.687 27.276 33.692 1.00 0.00 O ATOM 144 C5 U A 5 20.038 25.954 32.582 1.00 0.00 C ATOM 145 C6 U A 5 19.155 24.919 32.573 1.00 0.00 C ATOM 0 H5' U A 5 16.845 21.811 30.264 1.00 0.00 H new ATOM 0 H5'' U A 5 15.162 22.215 30.539 1.00 0.00 H new ATOM 0 H4' U A 5 15.854 21.651 32.464 1.00 0.00 H new ATOM 0 H3' U A 5 16.002 24.701 32.855 1.00 0.00 H new ATOM 0 H2' U A 5 16.845 24.413 35.069 1.00 0.00 H new ATOM 0 HO2' U A 5 16.074 23.061 36.177 1.00 0.00 H new ATOM 0 H1' U A 5 18.517 22.410 34.434 1.00 0.00 H new ATOM 0 H3 U A 5 21.132 25.819 35.669 1.00 0.00 H new ATOM 0 H5 U A 5 20.067 26.564 31.691 1.00 0.00 H new ATOM 0 H6 U A 5 18.551 24.691 31.707 1.00 0.00 H new ATOM 156 P G A 6 13.506 24.510 33.888 1.00 0.00 P ATOM 157 OP1 G A 6 12.113 24.135 33.566 1.00 0.00 O ATOM 158 OP2 G A 6 13.939 25.870 33.382 1.00 0.00 O ATOM 159 O5' G A 6 13.719 24.406 35.532 1.00 0.00 O ATOM 160 C5' G A 6 14.025 25.512 36.373 1.00 0.00 C ATOM 161 C4' G A 6 14.589 25.100 37.811 1.00 0.00 C ATOM 162 O4' G A 6 15.898 24.556 37.709 1.00 0.00 O ATOM 163 C3' G A 6 14.643 26.389 38.710 1.00 0.00 C ATOM 164 O3' G A 6 13.394 26.483 39.309 1.00 0.00 O ATOM 165 C2' G A 6 15.924 26.033 39.618 1.00 0.00 C ATOM 166 O2' G A 6 15.564 25.261 40.721 1.00 0.00 O ATOM 167 C1' G A 6 16.779 25.193 38.650 1.00 0.00 C ATOM 168 N9 G A 6 17.714 26.085 37.955 1.00 0.00 N ATOM 169 C8 G A 6 17.598 26.724 36.765 1.00 0.00 C ATOM 170 N7 G A 6 18.565 27.579 36.474 1.00 0.00 N ATOM 171 C5 G A 6 19.355 27.565 37.654 1.00 0.00 C ATOM 172 C6 G A 6 20.528 28.263 38.098 1.00 0.00 C ATOM 173 O6 G A 6 21.285 29.032 37.464 1.00 0.00 O ATOM 174 N1 G A 6 20.981 27.931 39.352 1.00 0.00 N ATOM 175 C2 G A 6 20.330 27.046 40.198 1.00 0.00 C ATOM 176 N2 G A 6 20.826 26.920 41.386 1.00 0.00 N ATOM 177 N3 G A 6 19.267 26.384 39.804 1.00 0.00 N ATOM 178 C4 G A 6 18.814 26.680 38.536 1.00 0.00 C ATOM 0 H5' G A 6 13.126 26.114 36.506 1.00 0.00 H new ATOM 0 H5'' G A 6 14.760 26.143 35.873 1.00 0.00 H new ATOM 0 H4' G A 6 13.934 24.345 38.245 1.00 0.00 H new ATOM 0 H3' G A 6 14.784 27.380 38.279 1.00 0.00 H new ATOM 0 H2' G A 6 16.425 26.914 40.020 1.00 0.00 H new ATOM 0 HO2' G A 6 14.587 25.234 40.797 1.00 0.00 H new ATOM 0 H1' G A 6 17.347 24.432 39.185 1.00 0.00 H new ATOM 0 H8 G A 6 16.769 26.546 36.097 1.00 0.00 H new ATOM 0 H1 G A 6 21.846 28.360 39.680 1.00 0.00 H new ATOM 0 H21 G A 6 20.392 26.284 42.055 1.00 0.00 H new ATOM 0 H22 G A 6 21.651 27.457 41.654 1.00 0.00 H new ATOM 190 P C A 7 13.017 27.835 40.153 1.00 0.00 P ATOM 191 OP1 C A 7 11.763 27.585 40.885 1.00 0.00 O ATOM 192 OP2 C A 7 13.099 28.899 39.089 1.00 0.00 O ATOM 193 O5' C A 7 14.286 28.054 41.185 1.00 0.00 O ATOM 194 C5' C A 7 14.870 29.343 41.424 1.00 0.00 C ATOM 195 C4' C A 7 16.058 29.191 42.333 1.00 0.00 C ATOM 196 O4' C A 7 17.150 28.526 41.681 1.00 0.00 O ATOM 197 C3' C A 7 16.583 30.421 43.000 1.00 0.00 C ATOM 198 O3' C A 7 15.861 30.838 44.113 1.00 0.00 O ATOM 199 C2' C A 7 18.026 30.022 43.333 1.00 0.00 C ATOM 200 O2' C A 7 18.336 29.374 44.604 1.00 0.00 O ATOM 201 C1' C A 7 18.384 29.184 42.107 1.00 0.00 C ATOM 202 N1 C A 7 19.007 30.025 41.054 1.00 0.00 N ATOM 203 C2 C A 7 20.357 30.398 41.211 1.00 0.00 C ATOM 204 O2 C A 7 20.994 30.036 42.207 1.00 0.00 O ATOM 205 N3 C A 7 20.977 31.139 40.262 1.00 0.00 N ATOM 206 C4 C A 7 20.329 31.638 39.202 1.00 0.00 C ATOM 207 N4 C A 7 20.956 32.517 38.424 1.00 0.00 N ATOM 208 C5 C A 7 18.934 31.475 39.118 1.00 0.00 C ATOM 209 C6 C A 7 18.306 30.686 40.058 1.00 0.00 C ATOM 0 H5' C A 7 14.135 30.009 41.876 1.00 0.00 H new ATOM 0 H5'' C A 7 15.175 29.797 40.481 1.00 0.00 H new ATOM 0 H4' C A 7 15.636 28.587 43.136 1.00 0.00 H new ATOM 0 H3' C A 7 16.504 31.299 42.360 1.00 0.00 H new ATOM 0 H2' C A 7 18.627 30.913 43.514 1.00 0.00 H new ATOM 0 HO2' C A 7 19.297 29.189 44.651 1.00 0.00 H new ATOM 0 H1' C A 7 19.135 28.426 42.333 1.00 0.00 H new ATOM 0 H41 C A 7 20.480 32.909 37.611 1.00 0.00 H new ATOM 0 H42 C A 7 21.912 32.798 38.640 1.00 0.00 H new ATOM 0 H5 C A 7 18.368 31.957 38.335 1.00 0.00 H new ATOM 0 H6 C A 7 17.232 30.580 40.017 1.00 0.00 H new ATOM 221 P G A 8 16.013 32.252 44.840 1.00 0.00 P ATOM 222 OP1 G A 8 14.889 32.413 45.776 1.00 0.00 O ATOM 223 OP2 G A 8 16.223 33.288 43.832 1.00 0.00 O ATOM 224 O5' G A 8 17.400 32.081 45.584 1.00 0.00 O ATOM 225 C5' G A 8 17.524 31.556 46.852 1.00 0.00 C ATOM 226 C4' G A 8 18.786 32.113 47.607 1.00 0.00 C ATOM 227 O4' G A 8 19.984 31.689 46.887 1.00 0.00 O ATOM 228 C3' G A 8 18.872 33.604 47.665 1.00 0.00 C ATOM 229 O3' G A 8 18.184 34.074 48.728 1.00 0.00 O ATOM 230 C2' G A 8 20.420 33.756 47.837 1.00 0.00 C ATOM 231 O2' G A 8 20.805 33.505 49.193 1.00 0.00 O ATOM 232 C1' G A 8 20.942 32.691 46.875 1.00 0.00 C ATOM 233 N9 G A 8 21.121 33.348 45.583 1.00 0.00 N ATOM 234 C8 G A 8 20.519 32.985 44.423 1.00 0.00 C ATOM 235 N7 G A 8 20.962 33.619 43.319 1.00 0.00 N ATOM 236 C5 G A 8 21.917 34.444 43.894 1.00 0.00 C ATOM 237 C6 G A 8 22.713 35.497 43.245 1.00 0.00 C ATOM 238 O6 G A 8 22.706 35.768 42.064 1.00 0.00 O ATOM 239 N1 G A 8 23.495 36.208 44.127 1.00 0.00 N ATOM 240 C2 G A 8 23.599 35.907 45.478 1.00 0.00 C ATOM 241 N2 G A 8 24.513 36.597 46.143 1.00 0.00 N ATOM 242 N3 G A 8 22.948 34.985 46.130 1.00 0.00 N ATOM 243 C4 G A 8 22.015 34.352 45.261 1.00 0.00 C ATOM 0 H5' G A 8 17.591 30.470 46.788 1.00 0.00 H new ATOM 0 H5'' G A 8 16.628 31.787 47.428 1.00 0.00 H new ATOM 0 H4' G A 8 18.704 31.729 48.624 1.00 0.00 H new ATOM 0 H3' G A 8 18.455 34.149 46.818 1.00 0.00 H new ATOM 0 H2' G A 8 20.809 34.752 47.624 1.00 0.00 H new ATOM 0 HO2' G A 8 21.776 33.603 49.281 1.00 0.00 H new ATOM 0 H1' G A 8 21.902 32.244 47.134 1.00 0.00 H new ATOM 0 H8 G A 8 19.739 32.239 44.386 1.00 0.00 H new ATOM 0 H1 G A 8 24.028 37.000 43.768 1.00 0.00 H new ATOM 0 H21 G A 8 24.650 36.433 47.140 1.00 0.00 H new ATOM 0 H22 G A 8 25.080 37.292 45.658 1.00 0.00 H new ATOM 255 P G A 9 17.644 35.583 48.741 1.00 0.00 P ATOM 256 OP1 G A 9 16.860 35.737 50.006 1.00 0.00 O ATOM 257 OP2 G A 9 16.965 35.909 47.448 1.00 0.00 O ATOM 258 O5' G A 9 18.946 36.503 49.035 1.00 0.00 O ATOM 259 C5' G A 9 19.733 36.436 50.254 1.00 0.00 C ATOM 260 C4' G A 9 20.914 37.445 50.162 1.00 0.00 C ATOM 261 O4' G A 9 21.847 37.074 49.127 1.00 0.00 O ATOM 262 C3' G A 9 20.494 38.872 49.757 1.00 0.00 C ATOM 263 O3' G A 9 19.946 39.714 50.768 1.00 0.00 O ATOM 264 C2' G A 9 21.844 39.405 49.241 1.00 0.00 C ATOM 265 O2' G A 9 22.792 39.604 50.352 1.00 0.00 O ATOM 266 C1' G A 9 22.338 38.274 48.486 1.00 0.00 C ATOM 267 N9 G A 9 21.735 38.263 47.084 1.00 0.00 N ATOM 268 C8 G A 9 20.775 37.428 46.481 1.00 0.00 C ATOM 269 N7 G A 9 20.456 37.776 45.258 1.00 0.00 N ATOM 270 C5 G A 9 21.539 38.621 44.929 1.00 0.00 C ATOM 271 C6 G A 9 21.966 39.246 43.722 1.00 0.00 C ATOM 272 O6 G A 9 21.491 39.178 42.579 1.00 0.00 O ATOM 273 N1 G A 9 23.072 40.082 43.832 1.00 0.00 N ATOM 274 C2 G A 9 23.730 40.267 45.014 1.00 0.00 C ATOM 275 N2 G A 9 24.714 41.106 44.991 1.00 0.00 N ATOM 276 N3 G A 9 23.416 39.753 46.198 1.00 0.00 N ATOM 277 C4 G A 9 22.323 38.977 46.071 1.00 0.00 C ATOM 0 H5' G A 9 20.114 35.425 50.399 1.00 0.00 H new ATOM 0 H5'' G A 9 19.108 36.668 51.117 1.00 0.00 H new ATOM 0 H4' G A 9 21.334 37.423 51.168 1.00 0.00 H new ATOM 0 H3' G A 9 19.657 38.860 49.059 1.00 0.00 H new ATOM 0 H2' G A 9 21.741 40.347 48.703 1.00 0.00 H new ATOM 0 HO2' G A 9 23.642 39.941 50.000 1.00 0.00 H new ATOM 0 HO3' G A 9 20.668 40.209 51.209 1.00 0.00 H new ATOM 0 H1' G A 9 23.426 38.330 48.439 1.00 0.00 H new ATOM 0 H8 G A 9 20.340 36.576 46.982 1.00 0.00 H new ATOM 0 H1 G A 9 23.403 40.574 43.002 1.00 0.00 H new ATOM 0 H21 G A 9 25.247 41.290 45.841 1.00 0.00 H new ATOM 0 H22 G A 9 24.957 41.584 44.123 1.00 0.00 H new TER 290 G A 9 ATOM 291 O5' C B 10 28.290 44.691 36.852 1.00 0.00 O ATOM 292 C5' C B 10 28.412 45.597 37.893 1.00 0.00 C ATOM 293 C4' C B 10 28.152 45.099 39.276 1.00 0.00 C ATOM 294 O4' C B 10 26.787 44.644 39.335 1.00 0.00 O ATOM 295 C3' C B 10 28.944 43.887 39.727 1.00 0.00 C ATOM 296 O3' C B 10 30.222 44.043 40.241 1.00 0.00 O ATOM 297 C2' C B 10 27.974 43.242 40.828 1.00 0.00 C ATOM 298 O2' C B 10 28.377 43.635 42.056 1.00 0.00 O ATOM 299 C1' C B 10 26.641 43.897 40.514 1.00 0.00 C ATOM 300 N1 C B 10 25.581 42.886 40.443 1.00 0.00 N ATOM 301 C2 C B 10 24.858 42.409 41.533 1.00 0.00 C ATOM 302 O2 C B 10 25.158 42.726 42.656 1.00 0.00 O ATOM 303 N3 C B 10 23.887 41.457 41.402 1.00 0.00 N ATOM 304 C4 C B 10 23.605 41.070 40.190 1.00 0.00 C ATOM 305 N4 C B 10 22.615 40.214 40.013 1.00 0.00 N ATOM 306 C5 C B 10 24.286 41.492 38.981 1.00 0.00 C ATOM 307 C6 C B 10 25.322 42.320 39.202 1.00 0.00 C ATOM 0 H5' C B 10 27.729 46.425 37.700 1.00 0.00 H new ATOM 0 H5'' C B 10 29.423 46.005 37.867 1.00 0.00 H new ATOM 0 H4' C B 10 28.423 45.943 39.911 1.00 0.00 H new ATOM 0 H3' C B 10 29.183 43.295 38.843 1.00 0.00 H new ATOM 0 H2' C B 10 27.949 42.152 40.813 1.00 0.00 H new ATOM 0 HO2' C B 10 28.520 42.847 42.621 1.00 0.00 H new ATOM 0 HO5' C B 10 28.483 45.140 36.003 1.00 0.00 H new ATOM 0 H1' C B 10 26.339 44.581 41.307 1.00 0.00 H new ATOM 0 H41 C B 10 22.377 39.897 39.073 1.00 0.00 H new ATOM 0 H42 C B 10 22.089 39.870 40.816 1.00 0.00 H new ATOM 0 H5 C B 10 23.988 41.171 37.994 1.00 0.00 H new ATOM 0 H6 C B 10 25.981 42.555 38.379 1.00 0.00 H new ATOM 320 P C B 11 31.223 42.832 40.171 1.00 0.00 P ATOM 321 OP1 C B 11 32.496 43.444 40.804 1.00 0.00 O ATOM 322 OP2 C B 11 31.227 42.270 38.811 1.00 0.00 O ATOM 323 O5' C B 11 30.677 41.808 41.165 1.00 0.00 O ATOM 324 C5' C B 11 31.060 41.971 42.555 1.00 0.00 C ATOM 325 C4' C B 11 30.397 40.799 43.473 1.00 0.00 C ATOM 326 O4' C B 11 28.978 40.946 43.457 1.00 0.00 O ATOM 327 C3' C B 11 30.671 39.343 42.947 1.00 0.00 C ATOM 328 O3' C B 11 31.944 38.942 43.436 1.00 0.00 O ATOM 329 C2' C B 11 29.460 38.594 43.643 1.00 0.00 C ATOM 330 O2' C B 11 29.965 38.169 44.890 1.00 0.00 O ATOM 331 C1' C B 11 28.385 39.657 43.750 1.00 0.00 C ATOM 332 N1 C B 11 27.204 39.272 42.904 1.00 0.00 N ATOM 333 C2 C B 11 26.246 38.514 43.542 1.00 0.00 C ATOM 334 O2 C B 11 26.317 38.347 44.800 1.00 0.00 O ATOM 335 N3 C B 11 25.307 37.946 42.808 1.00 0.00 N ATOM 336 C4 C B 11 25.321 38.214 41.525 1.00 0.00 C ATOM 337 N4 C B 11 24.413 37.511 40.993 1.00 0.00 N ATOM 338 C5 C B 11 26.309 38.854 40.807 1.00 0.00 C ATOM 339 C6 C B 11 27.257 39.474 41.570 1.00 0.00 C ATOM 0 H5' C B 11 30.738 42.948 42.915 1.00 0.00 H new ATOM 0 H5'' C B 11 32.146 41.940 42.645 1.00 0.00 H new ATOM 0 H4' C B 11 30.846 40.912 44.460 1.00 0.00 H new ATOM 0 H3' C B 11 30.712 39.178 41.870 1.00 0.00 H new ATOM 0 H2' C B 11 29.049 37.725 43.130 1.00 0.00 H new ATOM 0 HO2' C B 11 30.628 37.461 44.750 1.00 0.00 H new ATOM 0 H1' C B 11 27.983 39.739 44.760 1.00 0.00 H new ATOM 0 H41 C B 11 24.249 37.565 39.988 1.00 0.00 H new ATOM 0 H42 C B 11 23.845 36.890 41.570 1.00 0.00 H new ATOM 0 H5 C B 11 26.331 38.864 39.727 1.00 0.00 H new ATOM 0 H6 C B 11 28.017 40.099 41.125 1.00 0.00 H new ATOM 351 P G B 12 32.698 37.529 43.145 1.00 0.00 P ATOM 352 OP1 G B 12 33.954 37.556 43.871 1.00 0.00 O ATOM 353 OP2 G B 12 32.651 37.192 41.670 1.00 0.00 O ATOM 354 O5' G B 12 31.847 36.458 43.960 1.00 0.00 O ATOM 355 C5' G B 12 31.084 35.338 43.290 1.00 0.00 C ATOM 356 C4' G B 12 29.876 34.896 44.024 1.00 0.00 C ATOM 357 O4' G B 12 28.619 35.552 43.782 1.00 0.00 O ATOM 358 C3' G B 12 29.530 33.440 43.605 1.00 0.00 C ATOM 359 O3' G B 12 30.412 32.486 44.167 1.00 0.00 O ATOM 360 C2' G B 12 28.135 33.238 44.135 1.00 0.00 C ATOM 361 O2' G B 12 28.134 33.103 45.600 1.00 0.00 O ATOM 362 C1' G B 12 27.547 34.648 43.889 1.00 0.00 C ATOM 363 N9 G B 12 26.756 34.654 42.622 1.00 0.00 N ATOM 364 C8 G B 12 27.031 35.284 41.448 1.00 0.00 C ATOM 365 N7 G B 12 26.328 34.830 40.415 1.00 0.00 N ATOM 366 C5 G B 12 25.374 33.996 40.997 1.00 0.00 C ATOM 367 C6 G B 12 24.249 33.240 40.448 1.00 0.00 C ATOM 368 O6 G B 12 23.814 33.256 39.244 1.00 0.00 O ATOM 369 N1 G B 12 23.687 32.358 41.418 1.00 0.00 N ATOM 370 C2 G B 12 24.085 32.410 42.742 1.00 0.00 C ATOM 371 N2 G B 12 23.393 31.626 43.521 1.00 0.00 N ATOM 372 N3 G B 12 24.984 33.172 43.328 1.00 0.00 N ATOM 373 C4 G B 12 25.631 33.934 42.416 1.00 0.00 C ATOM 0 H5' G B 12 31.751 34.485 43.165 1.00 0.00 H new ATOM 0 H5'' G B 12 30.790 35.662 42.292 1.00 0.00 H new ATOM 0 H4' G B 12 30.185 35.096 45.050 1.00 0.00 H new ATOM 0 H3' G B 12 29.615 33.304 42.527 1.00 0.00 H new ATOM 0 H2' G B 12 27.640 32.372 43.695 1.00 0.00 H new ATOM 0 HO2' G B 12 28.976 32.695 45.892 1.00 0.00 H new ATOM 0 H1' G B 12 26.889 34.932 44.711 1.00 0.00 H new ATOM 0 H8 G B 12 27.755 36.081 41.363 1.00 0.00 H new ATOM 0 H1 G B 12 22.982 31.679 41.131 1.00 0.00 H new ATOM 0 H21 G B 12 23.602 31.585 44.519 1.00 0.00 H new ATOM 0 H22 G B 12 22.643 31.054 43.133 1.00 0.00 H new ATOM 385 P C B 13 30.656 31.084 43.365 1.00 0.00 P ATOM 386 OP1 C B 13 31.610 30.332 44.161 1.00 0.00 O ATOM 387 OP2 C B 13 30.943 31.449 41.959 1.00 0.00 O ATOM 388 O5' C B 13 29.343 30.229 43.405 1.00 0.00 O ATOM 389 C5' C B 13 28.806 29.714 44.637 1.00 0.00 C ATOM 390 C4' C B 13 27.484 28.989 44.561 1.00 0.00 C ATOM 391 O4' C B 13 26.497 29.703 43.800 1.00 0.00 O ATOM 392 C3' C B 13 27.675 27.675 43.799 1.00 0.00 C ATOM 393 O3' C B 13 28.424 26.658 44.455 1.00 0.00 O ATOM 394 C2' C B 13 26.174 27.335 43.546 1.00 0.00 C ATOM 395 O2' C B 13 25.519 26.614 44.598 1.00 0.00 O ATOM 396 C1' C B 13 25.580 28.727 43.405 1.00 0.00 C ATOM 397 N1 C B 13 25.218 29.035 42.020 1.00 0.00 N ATOM 398 C2 C B 13 23.991 28.575 41.598 1.00 0.00 C ATOM 399 O2 C B 13 23.223 28.127 42.411 1.00 0.00 O ATOM 400 N3 C B 13 23.597 28.787 40.404 1.00 0.00 N ATOM 401 C4 C B 13 24.397 29.456 39.565 1.00 0.00 C ATOM 402 N4 C B 13 24.042 29.561 38.201 1.00 0.00 N ATOM 403 C5 C B 13 25.693 29.980 39.944 1.00 0.00 C ATOM 404 C6 C B 13 26.083 29.706 41.145 1.00 0.00 C ATOM 0 H5' C B 13 28.696 30.546 45.332 1.00 0.00 H new ATOM 0 H5'' C B 13 29.541 29.034 45.068 1.00 0.00 H new ATOM 0 H4' C B 13 27.153 28.863 45.592 1.00 0.00 H new ATOM 0 H3' C B 13 28.301 27.758 42.910 1.00 0.00 H new ATOM 0 H2' C B 13 26.052 26.666 42.694 1.00 0.00 H new ATOM 0 HO2' C B 13 25.954 25.744 44.719 1.00 0.00 H new ATOM 0 H1' C B 13 24.692 28.734 44.037 1.00 0.00 H new ATOM 0 H41 C B 13 24.646 30.069 37.555 1.00 0.00 H new ATOM 0 H42 C B 13 23.182 29.129 37.863 1.00 0.00 H new ATOM 0 H5 C B 13 26.296 30.564 39.265 1.00 0.00 H new ATOM 0 H6 C B 13 27.071 29.993 41.473 1.00 0.00 H new ATOM 416 P U B 14 28.667 25.240 43.861 1.00 0.00 P ATOM 417 OP1 U B 14 29.697 24.560 44.622 1.00 0.00 O ATOM 418 OP2 U B 14 28.753 25.356 42.392 1.00 0.00 O ATOM 419 O5' U B 14 27.355 24.504 44.164 1.00 0.00 O ATOM 420 C5' U B 14 26.852 23.410 43.393 1.00 0.00 C ATOM 421 C4' U B 14 25.467 22.868 43.909 1.00 0.00 C ATOM 422 O4' U B 14 24.452 23.796 43.833 1.00 0.00 O ATOM 423 C3' U B 14 25.033 21.666 43.059 1.00 0.00 C ATOM 424 O3' U B 14 25.382 20.423 43.619 1.00 0.00 O ATOM 425 C2' U B 14 23.510 21.784 43.054 1.00 0.00 C ATOM 426 O2' U B 14 22.988 21.323 44.224 1.00 0.00 O ATOM 427 C1' U B 14 23.355 23.287 43.033 1.00 0.00 C ATOM 428 N1 U B 14 23.156 23.901 41.631 1.00 0.00 N ATOM 429 C2 U B 14 22.001 23.545 40.925 1.00 0.00 C ATOM 430 O2 U B 14 21.180 22.807 41.414 1.00 0.00 O ATOM 431 N3 U B 14 21.828 24.096 39.639 1.00 0.00 N ATOM 432 C4 U B 14 22.765 24.955 39.080 1.00 0.00 C ATOM 433 O4 U B 14 22.633 25.386 37.982 1.00 0.00 O ATOM 434 C5 U B 14 23.909 25.255 39.883 1.00 0.00 C ATOM 435 C6 U B 14 24.050 24.768 41.126 1.00 0.00 C ATOM 0 H5' U B 14 27.580 22.599 43.408 1.00 0.00 H new ATOM 0 H5'' U B 14 26.747 23.724 42.355 1.00 0.00 H new ATOM 0 H4' U B 14 25.623 22.606 44.955 1.00 0.00 H new ATOM 0 H3' U B 14 25.514 21.690 42.081 1.00 0.00 H new ATOM 0 H2' U B 14 23.024 21.234 42.248 1.00 0.00 H new ATOM 0 HO2' U B 14 23.573 20.628 44.592 1.00 0.00 H new ATOM 0 H1' U B 14 22.411 23.605 43.476 1.00 0.00 H new ATOM 0 H3 U B 14 20.992 23.857 39.105 1.00 0.00 H new ATOM 0 H5 U B 14 24.682 25.892 39.478 1.00 0.00 H new ATOM 0 H6 U B 14 24.892 25.077 41.728 1.00 0.00 H new ATOM 446 P G B 15 25.639 19.203 42.619 1.00 0.00 P ATOM 447 OP1 G B 15 25.822 18.020 43.459 1.00 0.00 O ATOM 448 OP2 G B 15 26.769 19.560 41.736 1.00 0.00 O ATOM 449 O5' G B 15 24.320 19.100 41.798 1.00 0.00 O ATOM 450 C5' G B 15 23.109 18.439 42.243 1.00 0.00 C ATOM 451 C4' G B 15 21.976 18.460 41.145 1.00 0.00 C ATOM 452 O4' G B 15 21.759 19.828 40.778 1.00 0.00 O ATOM 453 C3' G B 15 22.279 17.736 39.900 1.00 0.00 C ATOM 454 O3' G B 15 22.217 16.290 40.051 1.00 0.00 O ATOM 455 C2' G B 15 21.291 18.312 39.018 1.00 0.00 C ATOM 456 O2' G B 15 19.944 17.904 39.303 1.00 0.00 O ATOM 457 C1' G B 15 21.342 19.775 39.383 1.00 0.00 C ATOM 458 N9 G B 15 22.222 20.689 38.520 1.00 0.00 N ATOM 459 C8 G B 15 23.395 21.280 38.961 1.00 0.00 C ATOM 460 N7 G B 15 23.930 22.142 38.095 1.00 0.00 N ATOM 461 C5 G B 15 23.053 22.027 37.016 1.00 0.00 C ATOM 462 C6 G B 15 23.021 22.708 35.747 1.00 0.00 C ATOM 463 O6 G B 15 23.899 23.447 35.186 1.00 0.00 O ATOM 464 N1 G B 15 22.090 22.247 34.852 1.00 0.00 N ATOM 465 C2 G B 15 21.121 21.319 35.155 1.00 0.00 C ATOM 466 N2 G B 15 20.386 20.881 34.206 1.00 0.00 N ATOM 467 N3 G B 15 21.061 20.764 36.371 1.00 0.00 N ATOM 468 C4 G B 15 22.017 21.136 37.222 1.00 0.00 C ATOM 0 H5' G B 15 22.744 18.925 43.148 1.00 0.00 H new ATOM 0 H5'' G B 15 23.337 17.406 42.506 1.00 0.00 H new ATOM 0 H4' G B 15 21.118 17.961 41.596 1.00 0.00 H new ATOM 0 H3' G B 15 23.298 17.848 39.530 1.00 0.00 H new ATOM 0 H2' G B 15 21.507 18.031 37.987 1.00 0.00 H new ATOM 0 HO2' G B 15 19.331 18.333 38.669 1.00 0.00 H new ATOM 0 H1' G B 15 20.348 20.182 39.199 1.00 0.00 H new ATOM 0 H8 G B 15 23.837 21.062 39.922 1.00 0.00 H new ATOM 0 H1 G B 15 22.118 22.616 33.901 1.00 0.00 H new ATOM 0 H21 G B 15 19.659 20.192 34.400 1.00 0.00 H new ATOM 0 H22 G B 15 20.526 21.220 33.254 1.00 0.00 H new ATOM 480 P C B 16 23.194 15.293 39.330 1.00 0.00 P ATOM 481 OP1 C B 16 22.698 13.919 39.679 1.00 0.00 O ATOM 482 OP2 C B 16 24.563 15.659 39.627 1.00 0.00 O ATOM 483 O5' C B 16 22.963 15.546 37.803 1.00 0.00 O ATOM 484 C5' C B 16 21.774 15.272 37.056 1.00 0.00 C ATOM 485 C4' C B 16 22.117 15.644 35.612 1.00 0.00 C ATOM 486 O4' C B 16 22.273 17.064 35.616 1.00 0.00 O ATOM 487 C3' C B 16 23.274 14.968 34.964 1.00 0.00 C ATOM 488 O3' C B 16 22.939 13.666 34.448 1.00 0.00 O ATOM 489 C2' C B 16 23.687 15.951 33.905 1.00 0.00 C ATOM 490 O2' C B 16 23.159 15.816 32.637 1.00 0.00 O ATOM 491 C1' C B 16 22.967 17.292 34.387 1.00 0.00 C ATOM 492 N1 C B 16 23.828 18.485 34.532 1.00 0.00 N ATOM 493 C2 C B 16 24.104 19.217 33.393 1.00 0.00 C ATOM 494 O2 C B 16 23.399 19.018 32.382 1.00 0.00 O ATOM 495 N3 C B 16 25.001 20.175 33.425 1.00 0.00 N ATOM 496 C4 C B 16 25.478 20.640 34.591 1.00 0.00 C ATOM 497 N4 C B 16 26.404 21.616 34.376 1.00 0.00 N ATOM 498 C5 C B 16 25.126 20.034 35.832 1.00 0.00 C ATOM 499 C6 C B 16 24.312 18.936 35.735 1.00 0.00 C ATOM 0 H5' C B 16 20.932 15.858 37.425 1.00 0.00 H new ATOM 0 H5'' C B 16 21.491 14.222 37.136 1.00 0.00 H new ATOM 0 H4' C B 16 21.304 15.280 34.984 1.00 0.00 H new ATOM 0 H3' C B 16 24.085 14.743 35.657 1.00 0.00 H new ATOM 0 H2' C B 16 24.770 15.865 33.819 1.00 0.00 H new ATOM 0 HO2' C B 16 23.392 14.935 32.278 1.00 0.00 H new ATOM 0 H1' C B 16 22.285 17.531 33.571 1.00 0.00 H new ATOM 0 H41 C B 16 26.860 22.070 35.168 1.00 0.00 H new ATOM 0 H42 C B 16 26.641 21.893 33.423 1.00 0.00 H new ATOM 0 H5 C B 16 25.476 20.413 36.781 1.00 0.00 H new ATOM 0 H6 C B 16 24.042 18.407 36.637 1.00 0.00 H new ATOM 511 P G B 17 23.970 12.599 33.835 1.00 0.00 P ATOM 512 OP1 G B 17 23.129 11.356 33.591 1.00 0.00 O ATOM 513 OP2 G B 17 25.150 12.516 34.678 1.00 0.00 O ATOM 514 O5' G B 17 24.204 13.279 32.412 1.00 0.00 O ATOM 515 C5' G B 17 25.543 13.401 31.850 1.00 0.00 C ATOM 516 C4' G B 17 25.466 13.863 30.383 1.00 0.00 C ATOM 517 O4' G B 17 24.750 15.106 30.218 1.00 0.00 O ATOM 518 C3' G B 17 26.921 14.001 29.781 1.00 0.00 C ATOM 519 O3' G B 17 27.255 12.741 29.200 1.00 0.00 O ATOM 520 C2' G B 17 26.673 15.218 28.791 1.00 0.00 C ATOM 521 O2' G B 17 26.096 14.658 27.632 1.00 0.00 O ATOM 522 C1' G B 17 25.532 16.043 29.459 1.00 0.00 C ATOM 523 N9 G B 17 26.204 16.933 30.434 1.00 0.00 N ATOM 524 C8 G B 17 26.380 16.831 31.764 1.00 0.00 C ATOM 525 N7 G B 17 27.077 17.831 32.321 1.00 0.00 N ATOM 526 C5 G B 17 27.293 18.720 31.249 1.00 0.00 C ATOM 527 C6 G B 17 27.920 20.041 31.140 1.00 0.00 C ATOM 528 O6 G B 17 28.377 20.791 32.042 1.00 0.00 O ATOM 529 N1 G B 17 28.154 20.373 29.851 1.00 0.00 N ATOM 530 C2 G B 17 27.623 19.708 28.810 1.00 0.00 C ATOM 531 N2 G B 17 27.680 20.337 27.700 1.00 0.00 N ATOM 532 N3 G B 17 26.865 18.591 28.829 1.00 0.00 N ATOM 533 C4 G B 17 26.803 18.131 30.125 1.00 0.00 C ATOM 0 H5' G B 17 26.059 12.443 31.910 1.00 0.00 H new ATOM 0 H5'' G B 17 26.126 14.114 32.433 1.00 0.00 H new ATOM 0 H4' G B 17 24.906 13.099 29.844 1.00 0.00 H new ATOM 0 H3' G B 17 27.769 14.206 30.435 1.00 0.00 H new ATOM 0 H2' G B 17 27.572 15.797 28.581 1.00 0.00 H new ATOM 0 HO2' G B 17 26.291 13.698 27.601 1.00 0.00 H new ATOM 0 H1' G B 17 24.924 16.593 28.741 1.00 0.00 H new ATOM 0 H8 G B 17 25.989 16.005 32.340 1.00 0.00 H new ATOM 0 H1 G B 17 28.764 21.168 29.658 1.00 0.00 H new ATOM 0 H21 G B 17 27.302 19.912 26.853 1.00 0.00 H new ATOM 0 H22 G B 17 28.103 21.264 27.660 1.00 0.00 H new ATOM 545 P G B 18 28.814 12.314 29.095 1.00 0.00 P ATOM 546 OP1 G B 18 28.865 11.176 28.229 1.00 0.00 O ATOM 547 OP2 G B 18 29.465 12.351 30.427 1.00 0.00 O ATOM 548 O5' G B 18 29.340 13.556 28.315 1.00 0.00 O ATOM 549 C5' G B 18 29.390 13.599 26.911 1.00 0.00 C ATOM 550 C4' G B 18 30.178 14.812 26.339 1.00 0.00 C ATOM 551 O4' G B 18 29.525 16.042 26.591 1.00 0.00 O ATOM 552 C3' G B 18 31.633 14.809 26.788 1.00 0.00 C ATOM 553 O3' G B 18 32.409 13.806 26.161 1.00 0.00 O ATOM 554 C2' G B 18 32.032 16.206 26.395 1.00 0.00 C ATOM 555 O2' G B 18 32.308 16.270 24.956 1.00 0.00 O ATOM 556 C1' G B 18 30.681 16.917 26.673 1.00 0.00 C ATOM 557 N9 G B 18 30.734 17.656 28.007 1.00 0.00 N ATOM 558 C8 G B 18 30.646 17.080 29.274 1.00 0.00 C ATOM 559 N7 G B 18 30.982 17.843 30.252 1.00 0.00 N ATOM 560 C5 G B 18 31.432 19.002 29.564 1.00 0.00 C ATOM 561 C6 G B 18 32.152 20.148 29.958 1.00 0.00 C ATOM 562 O6 G B 18 32.424 20.360 31.111 1.00 0.00 O ATOM 563 N1 G B 18 32.406 21.107 29.057 1.00 0.00 N ATOM 564 C2 G B 18 32.282 20.854 27.748 1.00 0.00 C ATOM 565 N2 G B 18 32.650 21.876 26.977 1.00 0.00 N ATOM 566 N3 G B 18 31.717 19.788 27.214 1.00 0.00 N ATOM 567 C4 G B 18 31.294 18.882 28.189 1.00 0.00 C ATOM 0 H5' G B 18 28.372 13.626 26.523 1.00 0.00 H new ATOM 0 H5'' G B 18 29.846 12.679 26.546 1.00 0.00 H new ATOM 0 H4' G B 18 30.194 14.699 25.255 1.00 0.00 H new ATOM 0 H3' G B 18 31.783 14.576 27.842 1.00 0.00 H new ATOM 0 H2' G B 18 32.914 16.603 26.898 1.00 0.00 H new ATOM 0 HO2' G B 18 32.453 15.365 24.610 1.00 0.00 H new ATOM 0 HO3' G B 18 33.332 13.855 26.487 1.00 0.00 H new ATOM 0 H1' G B 18 30.544 17.642 25.870 1.00 0.00 H new ATOM 0 H8 G B 18 30.318 16.062 29.423 1.00 0.00 H new ATOM 0 H1 G B 18 32.695 22.034 29.370 1.00 0.00 H new ATOM 0 H21 G B 18 32.597 21.794 25.962 1.00 0.00 H new ATOM 0 H22 G B 18 32.985 22.741 27.402 1.00 0.00 H new TER 580 G B 18 END