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 26-JAN-11 2L8W TITLE R(CCGCUGCGG)2 UU INTERNAL LOOP FOUND IN MYOTONIC DYSTROPHY TYPE 1 - UU TITLE 2 PAIR WITH TWO 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.FOUNTAIN,M.DISNEY REVDAT 1 23-FEB-11 2L8W 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 2L8W COMPLIES WITH FORMAT V. 3.20, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 01-FEB-11. REMARK 100 THE RCSB ID CODE IS RCSB102103. 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 : 0.01 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 1H-1H NOESY; 2D 1H-1H TOCSY; REMARK 210 2D DQF-COSY 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, VNMRJ 6.1, SPARKY REMARK 210 3.111 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 H21 G A 3 O2 C B 16 1.76 REMARK 500 H21 G A 6 O2 C B 13 1.77 REMARK 500 HO2' C B 16 O5' G B 17 1.77 REMARK 500 O2 C A 4 H21 G B 15 1.77 REMARK 500 N3 C A 7 H1 G B 12 1.84 REMARK 500 H41 C A 4 O6 G B 15 1.84 REMARK 500 O2 C A 2 H21 G B 17 1.84 REMARK 500 O2 C A 7 H21 G B 12 1.86 REMARK 500 H3 U A 5 O4 U B 14 1.87 REMARK 500 HO2' C B 10 O5' C B 11 1.89 REMARK 500 N3 C A 4 H1 G B 15 1.89 REMARK 500 H1 G A 6 N3 C B 13 1.90 REMARK 500 HO2' C A 2 O5' G A 3 1.90 REMARK 500 N3 C A 1 H1 G B 18 1.90 REMARK 500 O2 U A 5 H3 U B 14 1.91 REMARK 500 N3 C A 2 H1 G B 17 1.92 REMARK 500 H21 G A 8 O2 C B 11 1.93 REMARK 500 H41 C A 7 O6 G B 12 1.93 REMARK 500 H1 G A 9 N3 C B 10 1.98 REMARK 500 O6 G A 3 H41 C B 16 1.99 REMARK 500 H41 C A 2 O6 G B 17 2.02 REMARK 500 H1 G A 3 N3 C B 16 2.05 REMARK 500 HO2' U A 5 O5' G A 6 2.06 REMARK 500 O6 G A 6 H41 C B 13 2.07 REMARK 500 H41 C A 1 O6 G B 18 2.07 REMARK 500 H21 G A 9 O2 C B 10 2.08 REMARK 500 O2 C A 1 H21 G B 18 2.09 REMARK 500 H1 G A 8 N3 C B 11 2.17 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 2 C5' C A 2 C4' 0.079 REMARK 500 G A 3 P G A 3 O5' 0.062 REMARK 500 G A 3 C4 G A 3 C5 0.042 REMARK 500 C A 2 O3' G A 3 P -0.082 REMARK 500 U A 5 C5' U A 5 C4' 0.088 REMARK 500 U A 5 C2 U A 5 N3 0.050 REMARK 500 G A 6 C4 G A 6 C5 0.042 REMARK 500 G A 6 C8 G A 6 N9 0.050 REMARK 500 G A 8 N3 G A 8 C4 0.053 REMARK 500 G A 8 C6 G A 8 N1 -0.053 REMARK 500 G A 9 C5' G A 9 C4' -0.044 REMARK 500 G A 9 N3 G A 9 C4 0.070 REMARK 500 G A 9 C6 G A 9 N1 -0.049 REMARK 500 G A 9 C2 G A 9 N2 -0.112 REMARK 500 C B 10 O4' C B 10 C4' -0.116 REMARK 500 C B 10 N1 C B 10 C2 -0.082 REMARK 500 C B 10 N3 C B 10 C4 -0.050 REMARK 500 C B 10 C5 C B 10 C6 0.060 REMARK 500 C B 11 P C B 11 O5' 0.065 REMARK 500 C B 11 C4 C B 11 N4 -0.086 REMARK 500 C B 11 C4 C B 11 C5 0.052 REMARK 500 G B 12 C2 G B 12 N3 0.049 REMARK 500 G B 12 C5 G B 12 N7 -0.037 REMARK 500 G B 12 C8 G B 12 N9 0.081 REMARK 500 G B 12 C2 G B 12 N2 -0.069 REMARK 500 C B 11 O3' G B 12 P -0.073 REMARK 500 U B 14 P U B 14 O5' -0.081 REMARK 500 G B 15 N1 G B 15 C2 -0.064 REMARK 500 G B 15 C5 G B 15 N7 0.042 REMARK 500 G B 15 C2 G B 15 N2 -0.071 REMARK 500 G B 18 C6 G B 18 N1 0.056 REMARK 500 G B 18 C5 G B 18 N7 0.040 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 C3' - C2' - C1' ANGL. DEV. = -4.5 DEGREES REMARK 500 C A 1 N3 - C2 - O2 ANGL. DEV. = -5.8 DEGREES REMARK 500 C A 2 O4' - C1' - N1 ANGL. DEV. = 4.5 DEGREES REMARK 500 C A 2 C6 - N1 - C2 ANGL. DEV. = 2.9 DEGREES REMARK 500 C A 2 C5 - C6 - N1 ANGL. DEV. = -4.1 DEGREES REMARK 500 C A 2 N1 - C2 - O2 ANGL. DEV. = 7.0 DEGREES REMARK 500 C A 2 N3 - C2 - O2 ANGL. DEV. = -7.0 DEGREES REMARK 500 G A 3 O4' - C1' - N9 ANGL. DEV. = -6.1 DEGREES REMARK 500 G A 3 C5 - C6 - N1 ANGL. DEV. = 4.7 DEGREES REMARK 500 G A 3 C5 - N7 - C8 ANGL. DEV. = -4.2 DEGREES REMARK 500 G A 3 N7 - C8 - N9 ANGL. DEV. = 3.5 DEGREES REMARK 500 G A 3 N1 - C6 - O6 ANGL. DEV. = -5.2 DEGREES REMARK 500 C A 4 O4' - C1' - N1 ANGL. DEV. = 7.5 DEGREES REMARK 500 C A 4 N3 - C4 - C5 ANGL. DEV. = 2.9 DEGREES REMARK 500 C A 4 N3 - C2 - O2 ANGL. DEV. = -5.1 DEGREES REMARK 500 U A 5 O4' - C1' - N1 ANGL. DEV. = 8.1 DEGREES REMARK 500 U A 5 N1 - C2 - O2 ANGL. DEV. = 8.8 DEGREES REMARK 500 U A 5 N3 - C2 - O2 ANGL. DEV. = -8.7 DEGREES REMARK 500 G A 6 C5' - C4' - C3' ANGL. DEV. = -8.9 DEGREES REMARK 500 G A 6 O4' - C1' - C2' ANGL. DEV. = 6.3 DEGREES REMARK 500 G A 6 C5 - C6 - N1 ANGL. DEV. = 4.1 DEGREES REMARK 500 G A 6 N3 - C2 - N2 ANGL. DEV. = -5.1 DEGREES REMARK 500 G A 6 N1 - C6 - O6 ANGL. DEV. = -5.4 DEGREES REMARK 500 C A 7 C5' - C4' - O4' ANGL. DEV. = 10.3 DEGREES REMARK 500 C A 7 O4' - C1' - N1 ANGL. DEV. = 4.2 DEGREES REMARK 500 G A 8 N9 - C1' - C2' ANGL. DEV. = -9.6 DEGREES REMARK 500 G A 8 O4' - C1' - N9 ANGL. DEV. = 9.2 DEGREES REMARK 500 G A 8 C5 - N7 - C8 ANGL. DEV. = -3.3 DEGREES REMARK 500 G A 8 N7 - C8 - N9 ANGL. DEV. = 4.4 DEGREES REMARK 500 G A 8 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 C B 10 O4' - C4' - C3' ANGL. DEV. = 5.1 DEGREES REMARK 500 C B 10 N1 - C1' - C2' ANGL. DEV. = -7.4 DEGREES REMARK 500 C B 10 O4' - C1' - N1 ANGL. DEV. = 5.3 DEGREES REMARK 500 C B 10 N1 - C2 - N3 ANGL. DEV. = 5.0 DEGREES REMARK 500 C B 10 C2 - N3 - C4 ANGL. DEV. = -4.4 DEGREES REMARK 500 C B 10 C5 - C6 - N1 ANGL. DEV. = -4.5 DEGREES REMARK 500 C B 10 N3 - C2 - O2 ANGL. DEV. = -4.5 DEGREES REMARK 500 C B 11 C6 - N1 - C2 ANGL. DEV. = -3.7 DEGREES REMARK 500 C B 11 N1 - C2 - N3 ANGL. DEV. = 5.9 DEGREES REMARK 500 C B 11 N3 - C4 - C5 ANGL. DEV. = -2.5 DEGREES REMARK 500 C B 11 N3 - C2 - O2 ANGL. DEV. = -7.1 DEGREES REMARK 500 C B 11 C5 - C4 - N4 ANGL. DEV. = 5.3 DEGREES REMARK 500 G B 12 C6 - N1 - C2 ANGL. DEV. = -5.4 DEGREES REMARK 500 G B 12 C5 - C6 - N1 ANGL. DEV. = 5.7 DEGREES REMARK 500 G B 12 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 C B 13 C6 - N1 - C2 ANGL. DEV. = -3.1 DEGREES REMARK 500 C B 13 N1 - C2 - N3 ANGL. DEV. = 4.7 DEGREES REMARK 500 C B 13 C2 - N3 - C4 ANGL. DEV. = -3.1 DEGREES REMARK 500 C B 13 C4 - C5 - C6 ANGL. DEV. = 3.3 DEGREES REMARK 500 C B 13 N3 - C2 - O2 ANGL. DEV. = -7.4 DEGREES REMARK 500 REMARK 500 THIS ENTRY HAS 70 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 G A 3 0.07 SIDE CHAIN REMARK 500 U A 5 0.11 SIDE CHAIN REMARK 500 G A 8 0.09 SIDE CHAIN REMARK 500 G A 9 0.06 SIDE CHAIN REMARK 500 C B 11 0.08 SIDE CHAIN REMARK 500 C B 13 0.07 SIDE CHAIN REMARK 500 U B 14 0.10 SIDE CHAIN REMARK 500 G B 15 0.07 SIDE CHAIN REMARK 500 C B 16 0.07 SIDE CHAIN REMARK 500 G B 18 0.08 SIDE CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 17401 RELATED DB: BMRB REMARK 900 RELATED ID: 2L8C RELATED DB: PDB REMARK 900 UU PAIR WITH ZERO HYDROGEN BOND PAIRS REMARK 900 RELATED ID: 2L8U RELATED DB: PDB REMARK 900 UU PAIR WITH ONE HYDROGEN BOND PAIR DBREF 2L8W A 1 9 PDB 2L8W 2L8W 1 9 DBREF 2L8W B 10 18 PDB 2L8W 2L8W 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 180:sc= 0 USER MOD Single : A 1 C O5' : rot 180:sc= 0 USER MOD Single : A 2 C O2' : rot -76:sc= 1.16 USER MOD Single : A 3 G O2' : rot -15:sc= 0.242 USER MOD Single : A 4 C O2' : rot 180:sc= 0 USER MOD Single : A 5 U O2' : rot -12:sc= 0.105 USER MOD Single : A 6 G O2' : rot -16:sc= 0.25 USER MOD Single : A 7 C O2' : rot -115:sc= 0.757 USER MOD Single : A 8 G O2' : rot -13:sc= -0.103 USER MOD Single : A 9 G O2' : rot -25:sc= 0.0316 USER MOD Single : A 9 G O3' : rot 180:sc= 0.0243 USER MOD Single : B 10 C O2' : rot -114:sc= 0.36 USER MOD Single : B 10 C O5' : rot 30:sc= 0.0173 USER MOD Single : B 11 C O2' : rot -20:sc= 0.00987 USER MOD Single : B 12 G O2' : rot -18:sc= 0.143 USER MOD Single : B 13 C O2' : rot -76:sc= 0.0683 USER MOD Single : B 14 U O2' : rot -20:sc= 0.104 USER MOD Single : B 15 G O2' : rot -25:sc= 0.192 USER MOD Single : B 16 C O2' : rot -69:sc= 1.01 USER MOD Single : B 17 G O2' : rot -20:sc=0.000613 USER MOD Single : B 18 G O2' : rot -28:sc= 0.26 USER MOD Single : B 18 G O3' : rot 180:sc= 0.221 USER MOD ----------------------------------------------------------------- ATOM 1 O5' C A 1 33.668 25.665 32.257 1.00 0.00 O ATOM 2 C5' C A 1 32.275 25.279 32.174 1.00 0.00 C ATOM 3 C4' C A 1 31.970 23.772 32.169 1.00 0.00 C ATOM 4 O4' C A 1 32.258 23.199 33.420 1.00 0.00 O ATOM 5 C3' C A 1 30.523 23.568 32.122 1.00 0.00 C ATOM 6 O3' C A 1 29.928 23.928 30.898 1.00 0.00 O ATOM 7 C2' C A 1 30.360 22.037 32.507 1.00 0.00 C ATOM 8 O2' C A 1 30.776 21.061 31.528 1.00 0.00 O ATOM 9 C1' C A 1 31.508 21.990 33.572 1.00 0.00 C ATOM 10 N1 C A 1 30.909 21.891 34.919 1.00 0.00 N ATOM 11 C2 C A 1 30.796 20.593 35.401 1.00 0.00 C ATOM 12 O2 C A 1 31.061 19.591 34.697 1.00 0.00 O ATOM 13 N3 C A 1 30.438 20.341 36.693 1.00 0.00 N ATOM 14 C4 C A 1 30.238 21.371 37.461 1.00 0.00 C ATOM 15 N4 C A 1 29.827 21.077 38.690 1.00 0.00 N ATOM 16 C5 C A 1 30.299 22.717 37.014 1.00 0.00 C ATOM 17 C6 C A 1 30.669 22.913 35.765 1.00 0.00 C ATOM 0 H5' C A 1 31.856 25.713 31.266 1.00 0.00 H new ATOM 0 H5'' C A 1 31.748 25.729 33.015 1.00 0.00 H new ATOM 0 H4' C A 1 32.537 23.354 31.337 1.00 0.00 H new ATOM 0 H3' C A 1 29.988 24.225 32.808 1.00 0.00 H new ATOM 0 H2' C A 1 29.320 21.798 32.730 1.00 0.00 H new ATOM 0 HO2' C A 1 30.628 20.159 31.882 1.00 0.00 H new ATOM 0 HO5' C A 1 33.738 26.643 32.251 1.00 0.00 H new ATOM 0 H1' C A 1 32.163 21.129 33.438 1.00 0.00 H new ATOM 0 H41 C A 1 29.646 21.825 39.360 1.00 0.00 H new ATOM 0 H42 C A 1 29.693 20.104 38.964 1.00 0.00 H new ATOM 0 H5 C A 1 30.054 23.541 37.667 1.00 0.00 H new ATOM 0 H6 C A 1 30.784 23.925 35.407 1.00 0.00 H new ATOM 30 P C A 2 28.430 24.335 30.838 1.00 0.00 P ATOM 31 OP1 C A 2 28.025 24.546 29.424 1.00 0.00 O ATOM 32 OP2 C A 2 28.274 25.386 31.808 1.00 0.00 O ATOM 33 O5' C A 2 27.629 23.089 31.319 1.00 0.00 O ATOM 34 C5' C A 2 27.407 21.988 30.389 1.00 0.00 C ATOM 35 C4' C A 2 26.447 20.874 30.987 1.00 0.00 C ATOM 36 O4' C A 2 26.989 20.324 32.143 1.00 0.00 O ATOM 37 C3' C A 2 25.118 21.420 31.472 1.00 0.00 C ATOM 38 O3' C A 2 24.202 21.542 30.342 1.00 0.00 O ATOM 39 C2' C A 2 24.627 20.365 32.426 1.00 0.00 C ATOM 40 O2' C A 2 24.072 19.279 31.689 1.00 0.00 O ATOM 41 C1' C A 2 25.926 19.869 33.013 1.00 0.00 C ATOM 42 N1 C A 2 26.058 20.365 34.387 1.00 0.00 N ATOM 43 C2 C A 2 25.490 19.555 35.376 1.00 0.00 C ATOM 44 O2 C A 2 24.890 18.506 35.187 1.00 0.00 O ATOM 45 N3 C A 2 25.636 19.907 36.689 1.00 0.00 N ATOM 46 C4 C A 2 26.420 20.946 36.967 1.00 0.00 C ATOM 47 N4 C A 2 26.567 21.250 38.210 1.00 0.00 N ATOM 48 C5 C A 2 26.943 21.828 35.974 1.00 0.00 C ATOM 49 C6 C A 2 26.702 21.545 34.660 1.00 0.00 C ATOM 0 H5' C A 2 28.365 21.537 30.129 1.00 0.00 H new ATOM 0 H5'' C A 2 26.977 22.377 29.466 1.00 0.00 H new ATOM 0 H4' C A 2 26.322 20.168 30.166 1.00 0.00 H new ATOM 0 H3' C A 2 25.196 22.404 31.935 1.00 0.00 H new ATOM 0 H2' C A 2 23.884 20.728 33.136 1.00 0.00 H new ATOM 0 HO2' C A 2 23.184 19.528 31.358 1.00 0.00 H new ATOM 0 H1' C A 2 25.966 18.781 33.072 1.00 0.00 H new ATOM 0 H41 C A 2 27.158 22.038 38.476 1.00 0.00 H new ATOM 0 H42 C A 2 26.093 20.703 38.928 1.00 0.00 H new ATOM 0 H5 C A 2 27.516 22.699 36.255 1.00 0.00 H new ATOM 0 H6 C A 2 27.004 22.219 33.872 1.00 0.00 H new ATOM 61 P G A 3 22.788 22.093 30.493 1.00 0.00 P ATOM 62 OP1 G A 3 22.264 22.220 29.156 1.00 0.00 O ATOM 63 OP2 G A 3 22.669 23.269 31.406 1.00 0.00 O ATOM 64 O5' G A 3 21.963 20.848 31.207 1.00 0.00 O ATOM 65 C5' G A 3 21.140 21.114 32.299 1.00 0.00 C ATOM 66 C4' G A 3 20.523 19.863 32.890 1.00 0.00 C ATOM 67 O4' G A 3 21.449 19.337 33.871 1.00 0.00 O ATOM 68 C3' G A 3 19.226 20.031 33.546 1.00 0.00 C ATOM 69 O3' G A 3 18.192 19.944 32.522 1.00 0.00 O ATOM 70 C2' G A 3 19.248 18.836 34.535 1.00 0.00 C ATOM 71 O2' G A 3 18.875 17.681 33.773 1.00 0.00 O ATOM 72 C1' G A 3 20.731 18.721 34.920 1.00 0.00 C ATOM 73 N9 G A 3 21.223 19.488 36.136 1.00 0.00 N ATOM 74 C8 G A 3 22.145 20.447 36.205 1.00 0.00 C ATOM 75 N7 G A 3 22.339 21.000 37.396 1.00 0.00 N ATOM 76 C5 G A 3 21.595 20.156 38.176 1.00 0.00 C ATOM 77 C6 G A 3 21.419 20.068 39.588 1.00 0.00 C ATOM 78 O6 G A 3 21.977 20.683 40.466 1.00 0.00 O ATOM 79 N1 G A 3 20.500 19.170 40.021 1.00 0.00 N ATOM 80 C2 G A 3 19.836 18.268 39.187 1.00 0.00 C ATOM 81 N2 G A 3 18.931 17.484 39.739 1.00 0.00 N ATOM 82 N3 G A 3 19.825 18.393 37.845 1.00 0.00 N ATOM 83 C4 G A 3 20.795 19.277 37.397 1.00 0.00 C ATOM 0 H5' G A 3 20.346 21.795 31.992 1.00 0.00 H new ATOM 0 H5'' G A 3 21.719 21.626 33.068 1.00 0.00 H new ATOM 0 H4' G A 3 20.339 19.200 32.045 1.00 0.00 H new ATOM 0 H3' G A 3 19.035 20.974 34.058 1.00 0.00 H new ATOM 0 H2' G A 3 18.596 18.940 35.402 1.00 0.00 H new ATOM 0 HO2' G A 3 18.484 17.964 32.920 1.00 0.00 H new ATOM 0 H1' G A 3 20.870 17.659 35.122 1.00 0.00 H new ATOM 0 H8 G A 3 22.706 20.759 35.336 1.00 0.00 H new ATOM 0 H1 G A 3 20.280 19.152 41.017 1.00 0.00 H new ATOM 0 H21 G A 3 18.422 16.810 39.166 1.00 0.00 H new ATOM 0 H22 G A 3 18.740 17.551 40.739 1.00 0.00 H new ATOM 95 P C A 4 16.981 20.946 32.529 1.00 0.00 P ATOM 96 OP1 C A 4 16.269 20.794 31.256 1.00 0.00 O ATOM 97 OP2 C A 4 17.490 22.316 32.811 1.00 0.00 O ATOM 98 O5' C A 4 15.924 20.665 33.668 1.00 0.00 O ATOM 99 C5' C A 4 15.052 19.488 33.671 1.00 0.00 C ATOM 100 C4' C A 4 14.678 19.186 35.161 1.00 0.00 C ATOM 101 O4' C A 4 15.899 18.994 35.825 1.00 0.00 O ATOM 102 C3' C A 4 13.947 20.347 35.897 1.00 0.00 C ATOM 103 O3' C A 4 12.554 20.381 35.865 1.00 0.00 O ATOM 104 C2' C A 4 14.346 20.051 37.370 1.00 0.00 C ATOM 105 O2' C A 4 13.577 18.974 37.937 1.00 0.00 O ATOM 106 C1' C A 4 15.710 19.440 37.183 1.00 0.00 C ATOM 107 N1 C A 4 16.789 20.342 37.741 1.00 0.00 N ATOM 108 C2 C A 4 17.035 20.346 39.096 1.00 0.00 C ATOM 109 O2 C A 4 16.376 19.663 39.830 1.00 0.00 O ATOM 110 N3 C A 4 17.811 21.262 39.666 1.00 0.00 N ATOM 111 C4 C A 4 18.307 22.180 38.889 1.00 0.00 C ATOM 112 N4 C A 4 19.198 22.970 39.448 1.00 0.00 N ATOM 113 C5 C A 4 18.141 22.225 37.458 1.00 0.00 C ATOM 114 C6 C A 4 17.401 21.281 36.904 1.00 0.00 C ATOM 0 H5' C A 4 15.559 18.634 33.222 1.00 0.00 H new ATOM 0 H5'' C A 4 14.155 19.673 33.080 1.00 0.00 H new ATOM 0 H4' C A 4 13.998 18.334 35.167 1.00 0.00 H new ATOM 0 H3' C A 4 14.230 21.290 35.430 1.00 0.00 H new ATOM 0 H2' C A 4 14.240 20.938 37.994 1.00 0.00 H new ATOM 0 HO2' C A 4 13.861 18.821 38.862 1.00 0.00 H new ATOM 0 H1' C A 4 15.791 18.528 37.774 1.00 0.00 H new ATOM 0 H41 C A 4 19.633 23.715 38.903 1.00 0.00 H new ATOM 0 H42 C A 4 19.454 22.838 40.426 1.00 0.00 H new ATOM 0 H5 C A 4 18.603 22.999 36.863 1.00 0.00 H new ATOM 0 H6 C A 4 17.272 21.235 35.833 1.00 0.00 H new ATOM 126 P U A 5 11.674 21.709 35.844 1.00 0.00 P ATOM 127 OP1 U A 5 10.291 21.316 35.586 1.00 0.00 O ATOM 128 OP2 U A 5 12.385 22.655 34.975 1.00 0.00 O ATOM 129 O5' U A 5 11.752 22.155 37.349 1.00 0.00 O ATOM 130 C5' U A 5 11.148 21.331 38.390 1.00 0.00 C ATOM 131 C4' U A 5 11.637 21.687 39.868 1.00 0.00 C ATOM 132 O4' U A 5 12.994 21.428 40.049 1.00 0.00 O ATOM 133 C3' U A 5 11.347 23.158 40.199 1.00 0.00 C ATOM 134 O3' U A 5 10.114 23.401 40.661 1.00 0.00 O ATOM 135 C2' U A 5 12.395 23.327 41.301 1.00 0.00 C ATOM 136 O2' U A 5 11.940 22.905 42.535 1.00 0.00 O ATOM 137 C1' U A 5 13.585 22.390 40.842 1.00 0.00 C ATOM 138 N1 U A 5 14.669 23.161 40.237 1.00 0.00 N ATOM 139 C2 U A 5 15.647 23.666 41.124 1.00 0.00 C ATOM 140 O2 U A 5 15.690 23.713 42.393 1.00 0.00 O ATOM 141 N3 U A 5 16.589 24.526 40.493 1.00 0.00 N ATOM 142 C4 U A 5 16.605 25.015 39.186 1.00 0.00 C ATOM 143 O4 U A 5 17.317 25.931 38.836 1.00 0.00 O ATOM 144 C5 U A 5 15.586 24.404 38.398 1.00 0.00 C ATOM 145 C6 U A 5 14.718 23.470 38.890 1.00 0.00 C ATOM 0 H5' U A 5 11.373 20.284 38.186 1.00 0.00 H new ATOM 0 H5'' U A 5 10.064 21.439 38.341 1.00 0.00 H new ATOM 0 H4' U A 5 11.077 21.044 40.547 1.00 0.00 H new ATOM 0 H3' U A 5 11.394 23.830 39.342 1.00 0.00 H new ATOM 0 H2' U A 5 12.668 24.375 41.423 1.00 0.00 H new ATOM 0 HO2' U A 5 10.971 22.761 42.495 1.00 0.00 H new ATOM 0 H1' U A 5 14.101 21.893 41.664 1.00 0.00 H new ATOM 0 H3 U A 5 17.365 24.829 41.081 1.00 0.00 H new ATOM 0 H5 U A 5 15.496 24.693 37.361 1.00 0.00 H new ATOM 0 H6 U A 5 14.053 22.960 38.209 1.00 0.00 H new ATOM 156 P G A 6 9.566 24.915 41.047 1.00 0.00 P ATOM 157 OP1 G A 6 8.078 24.883 40.887 1.00 0.00 O ATOM 158 OP2 G A 6 10.409 25.899 40.285 1.00 0.00 O ATOM 159 O5' G A 6 10.013 25.102 42.582 1.00 0.00 O ATOM 160 C5' G A 6 9.308 24.571 43.695 1.00 0.00 C ATOM 161 C4' G A 6 9.893 25.089 44.960 1.00 0.00 C ATOM 162 O4' G A 6 11.292 24.812 45.135 1.00 0.00 O ATOM 163 C3' G A 6 9.723 26.636 44.919 1.00 0.00 C ATOM 164 O3' G A 6 8.468 27.314 45.269 1.00 0.00 O ATOM 165 C2' G A 6 10.823 27.061 45.923 1.00 0.00 C ATOM 166 O2' G A 6 10.264 27.138 47.190 1.00 0.00 O ATOM 167 C1' G A 6 11.820 25.920 45.746 1.00 0.00 C ATOM 168 N9 G A 6 12.931 26.410 44.902 1.00 0.00 N ATOM 169 C8 G A 6 13.130 26.169 43.513 1.00 0.00 C ATOM 170 N7 G A 6 14.181 26.738 42.994 1.00 0.00 N ATOM 171 C5 G A 6 14.685 27.446 44.048 1.00 0.00 C ATOM 172 C6 G A 6 15.733 28.375 44.114 1.00 0.00 C ATOM 173 O6 G A 6 16.453 28.805 43.216 1.00 0.00 O ATOM 174 N1 G A 6 15.887 29.027 45.342 1.00 0.00 N ATOM 175 C2 G A 6 15.096 28.779 46.400 1.00 0.00 C ATOM 176 N2 G A 6 15.323 29.388 47.512 1.00 0.00 N ATOM 177 N3 G A 6 14.151 27.831 46.461 1.00 0.00 N ATOM 178 C4 G A 6 13.963 27.229 45.253 1.00 0.00 C ATOM 0 H5' G A 6 9.356 23.482 43.681 1.00 0.00 H new ATOM 0 H5'' G A 6 8.255 24.844 43.633 1.00 0.00 H new ATOM 0 H4' G A 6 9.379 24.595 45.784 1.00 0.00 H new ATOM 0 H3' G A 6 9.763 26.932 43.871 1.00 0.00 H new ATOM 0 H2' G A 6 11.287 28.036 45.773 1.00 0.00 H new ATOM 0 HO2' G A 6 9.287 27.165 47.115 1.00 0.00 H new ATOM 0 H1' G A 6 12.139 25.619 46.744 1.00 0.00 H new ATOM 0 H8 G A 6 12.457 25.557 42.930 1.00 0.00 H new ATOM 0 H1 G A 6 16.630 29.719 45.438 1.00 0.00 H new ATOM 0 H21 G A 6 14.730 29.208 48.322 1.00 0.00 H new ATOM 0 H22 G A 6 16.096 30.050 47.582 1.00 0.00 H new ATOM 190 P C A 7 8.211 28.858 44.781 1.00 0.00 P ATOM 191 OP1 C A 7 6.781 29.121 44.992 1.00 0.00 O ATOM 192 OP2 C A 7 8.709 28.921 43.370 1.00 0.00 O ATOM 193 O5' C A 7 9.159 29.853 45.692 1.00 0.00 O ATOM 194 C5' C A 7 8.873 30.105 47.099 1.00 0.00 C ATOM 195 C4' C A 7 10.082 30.783 47.663 1.00 0.00 C ATOM 196 O4' C A 7 11.438 30.289 47.325 1.00 0.00 O ATOM 197 C3' C A 7 10.113 32.230 47.274 1.00 0.00 C ATOM 198 O3' C A 7 9.174 33.099 47.914 1.00 0.00 O ATOM 199 C2' C A 7 11.547 32.675 47.611 1.00 0.00 C ATOM 200 O2' C A 7 11.620 33.104 48.948 1.00 0.00 O ATOM 201 C1' C A 7 12.340 31.391 47.284 1.00 0.00 C ATOM 202 N1 C A 7 12.991 31.551 45.957 1.00 0.00 N ATOM 203 C2 C A 7 14.113 32.338 45.802 1.00 0.00 C ATOM 204 O2 C A 7 14.533 32.932 46.809 1.00 0.00 O ATOM 205 N3 C A 7 14.786 32.410 44.650 1.00 0.00 N ATOM 206 C4 C A 7 14.211 31.901 43.575 1.00 0.00 C ATOM 207 N4 C A 7 14.774 32.072 42.402 1.00 0.00 N ATOM 208 C5 C A 7 13.048 31.121 43.629 1.00 0.00 C ATOM 209 C6 C A 7 12.442 30.959 44.816 1.00 0.00 C ATOM 0 H5' C A 7 8.669 29.173 47.626 1.00 0.00 H new ATOM 0 H5'' C A 7 7.989 30.733 47.209 1.00 0.00 H new ATOM 0 H4' C A 7 9.926 30.564 48.719 1.00 0.00 H new ATOM 0 H3' C A 7 9.825 32.308 46.226 1.00 0.00 H new ATOM 0 H2' C A 7 11.933 33.534 47.063 1.00 0.00 H new ATOM 0 HO2' C A 7 11.828 34.061 48.973 1.00 0.00 H new ATOM 0 H1' C A 7 13.131 31.206 48.011 1.00 0.00 H new ATOM 0 H41 C A 7 14.338 31.683 41.566 1.00 0.00 H new ATOM 0 H42 C A 7 15.647 32.594 42.327 1.00 0.00 H new ATOM 0 H5 C A 7 12.649 30.661 42.737 1.00 0.00 H new ATOM 0 H6 C A 7 11.536 30.375 44.889 1.00 0.00 H new ATOM 221 P G A 8 8.690 34.467 47.252 1.00 0.00 P ATOM 222 OP1 G A 8 7.395 34.840 47.880 1.00 0.00 O ATOM 223 OP2 G A 8 8.747 34.286 45.799 1.00 0.00 O ATOM 224 O5' G A 8 9.798 35.514 47.731 1.00 0.00 O ATOM 225 C5' G A 8 9.831 36.053 49.052 1.00 0.00 C ATOM 226 C4' G A 8 11.160 36.776 49.282 1.00 0.00 C ATOM 227 O4' G A 8 12.234 35.942 48.947 1.00 0.00 O ATOM 228 C3' G A 8 11.253 38.096 48.488 1.00 0.00 C ATOM 229 O3' G A 8 10.744 39.236 49.221 1.00 0.00 O ATOM 230 C2' G A 8 12.786 38.264 48.485 1.00 0.00 C ATOM 231 O2' G A 8 13.331 38.867 49.643 1.00 0.00 O ATOM 232 C1' G A 8 13.180 36.763 48.331 1.00 0.00 C ATOM 233 N9 G A 8 13.354 36.633 46.906 1.00 0.00 N ATOM 234 C8 G A 8 12.614 35.902 46.021 1.00 0.00 C ATOM 235 N7 G A 8 13.024 35.862 44.782 1.00 0.00 N ATOM 236 C5 G A 8 14.108 36.750 44.831 1.00 0.00 C ATOM 237 C6 G A 8 14.945 37.193 43.780 1.00 0.00 C ATOM 238 O6 G A 8 14.897 36.853 42.616 1.00 0.00 O ATOM 239 N1 G A 8 16.011 37.895 44.183 1.00 0.00 N ATOM 240 C2 G A 8 16.240 38.312 45.456 1.00 0.00 C ATOM 241 N2 G A 8 17.011 39.366 45.485 1.00 0.00 N ATOM 242 N3 G A 8 15.431 38.019 46.509 1.00 0.00 N ATOM 243 C4 G A 8 14.353 37.218 46.104 1.00 0.00 C ATOM 0 H5' G A 8 9.709 35.255 49.784 1.00 0.00 H new ATOM 0 H5'' G A 8 9.001 36.745 49.194 1.00 0.00 H new ATOM 0 H4' G A 8 11.208 37.025 50.342 1.00 0.00 H new ATOM 0 H3' G A 8 10.713 38.058 47.542 1.00 0.00 H new ATOM 0 H2' G A 8 13.162 38.946 47.722 1.00 0.00 H new ATOM 0 HO2' G A 8 12.611 39.267 50.174 1.00 0.00 H new ATOM 0 H1' G A 8 14.091 36.443 48.836 1.00 0.00 H new ATOM 0 H8 G A 8 11.724 35.377 46.334 1.00 0.00 H new ATOM 0 H1 G A 8 16.707 38.136 43.478 1.00 0.00 H new ATOM 0 H21 G A 8 17.266 39.787 46.378 1.00 0.00 H new ATOM 0 H22 G A 8 17.358 39.768 44.614 1.00 0.00 H new ATOM 255 P G A 9 10.331 40.576 48.403 1.00 0.00 P ATOM 256 OP1 G A 9 9.899 41.625 49.339 1.00 0.00 O ATOM 257 OP2 G A 9 9.449 40.182 47.274 1.00 0.00 O ATOM 258 O5' G A 9 11.728 40.968 47.707 1.00 0.00 O ATOM 259 C5' G A 9 12.592 41.801 48.480 1.00 0.00 C ATOM 260 C4' G A 9 13.713 42.420 47.770 1.00 0.00 C ATOM 261 O4' G A 9 14.458 41.447 47.085 1.00 0.00 O ATOM 262 C3' G A 9 13.236 43.402 46.768 1.00 0.00 C ATOM 263 O3' G A 9 12.880 44.671 47.284 1.00 0.00 O ATOM 264 C2' G A 9 14.444 43.480 45.839 1.00 0.00 C ATOM 265 O2' G A 9 15.472 44.359 46.245 1.00 0.00 O ATOM 266 C1' G A 9 14.990 42.049 45.870 1.00 0.00 C ATOM 267 N9 G A 9 14.404 41.302 44.674 1.00 0.00 N ATOM 268 C8 G A 9 13.228 40.530 44.583 1.00 0.00 C ATOM 269 N7 G A 9 12.967 40.134 43.364 1.00 0.00 N ATOM 270 C5 G A 9 14.045 40.578 42.593 1.00 0.00 C ATOM 271 C6 G A 9 14.317 40.414 41.201 1.00 0.00 C ATOM 272 O6 G A 9 13.654 39.865 40.288 1.00 0.00 O ATOM 273 N1 G A 9 15.482 40.973 40.840 1.00 0.00 N ATOM 274 C2 G A 9 16.280 41.754 41.627 1.00 0.00 C ATOM 275 N2 G A 9 17.146 42.369 41.008 1.00 0.00 N ATOM 276 N3 G A 9 16.123 41.929 42.886 1.00 0.00 N ATOM 277 C4 G A 9 14.950 41.284 43.361 1.00 0.00 C ATOM 0 H5' G A 9 12.995 41.206 49.300 1.00 0.00 H new ATOM 0 H5'' G A 9 11.992 42.594 48.926 1.00 0.00 H new ATOM 0 H4' G A 9 14.327 42.920 48.519 1.00 0.00 H new ATOM 0 H3' G A 9 12.301 43.093 46.300 1.00 0.00 H new ATOM 0 H2' G A 9 14.134 43.865 44.867 1.00 0.00 H new ATOM 0 HO2' G A 9 15.097 45.058 46.820 1.00 0.00 H new ATOM 0 HO3' G A 9 12.580 45.250 46.552 1.00 0.00 H new ATOM 0 H1' G A 9 16.079 42.018 45.840 1.00 0.00 H new ATOM 0 H8 G A 9 12.606 40.290 45.433 1.00 0.00 H new ATOM 0 H1 G A 9 15.802 40.798 39.887 1.00 0.00 H new ATOM 0 H21 G A 9 17.793 42.980 41.507 1.00 0.00 H new ATOM 0 H22 G A 9 17.218 42.268 39.996 1.00 0.00 H new TER 290 G A 9 ATOM 291 O5' C B 10 20.163 40.723 32.721 1.00 0.00 O ATOM 292 C5' C B 10 20.816 41.886 33.184 1.00 0.00 C ATOM 293 C4' C B 10 20.446 42.048 34.699 1.00 0.00 C ATOM 294 O4' C B 10 19.135 42.093 34.945 1.00 0.00 O ATOM 295 C3' C B 10 21.163 41.121 35.683 1.00 0.00 C ATOM 296 O3' C B 10 22.506 41.519 35.900 1.00 0.00 O ATOM 297 C2' C B 10 20.172 41.326 36.907 1.00 0.00 C ATOM 298 O2' C B 10 20.649 42.303 37.847 1.00 0.00 O ATOM 299 C1' C B 10 18.889 41.884 36.308 1.00 0.00 C ATOM 300 N1 C B 10 17.835 40.814 36.588 1.00 0.00 N ATOM 301 C2 C B 10 16.940 41.130 37.498 1.00 0.00 C ATOM 302 O2 C B 10 16.944 42.280 37.951 1.00 0.00 O ATOM 303 N3 C B 10 16.018 40.233 38.035 1.00 0.00 N ATOM 304 C4 C B 10 15.895 39.122 37.402 1.00 0.00 C ATOM 305 N4 C B 10 15.032 38.248 37.927 1.00 0.00 N ATOM 306 C5 C B 10 16.793 38.706 36.330 1.00 0.00 C ATOM 307 C6 C B 10 17.796 39.597 35.933 1.00 0.00 C ATOM 0 H5' C B 10 20.498 42.759 32.614 1.00 0.00 H new ATOM 0 H5'' C B 10 21.895 41.798 33.058 1.00 0.00 H new ATOM 0 H4' C B 10 20.853 43.038 34.903 1.00 0.00 H new ATOM 0 H3' C B 10 21.312 40.080 35.395 1.00 0.00 H new ATOM 0 H2' C B 10 20.055 40.379 37.434 1.00 0.00 H new ATOM 0 HO2' C B 10 20.860 41.863 38.697 1.00 0.00 H new ATOM 0 HO5' C B 10 19.331 40.594 33.222 1.00 0.00 H new ATOM 0 H1' C B 10 18.548 42.835 36.718 1.00 0.00 H new ATOM 0 H41 C B 10 14.884 37.345 37.477 1.00 0.00 H new ATOM 0 H42 C B 10 14.521 38.484 38.778 1.00 0.00 H new ATOM 0 H5 C B 10 16.687 37.741 35.858 1.00 0.00 H new ATOM 0 H6 C B 10 18.503 39.347 35.156 1.00 0.00 H new ATOM 320 P C B 11 23.454 40.679 36.882 1.00 0.00 P ATOM 321 OP1 C B 11 24.789 41.249 36.876 1.00 0.00 O ATOM 322 OP2 C B 11 23.237 39.301 36.499 1.00 0.00 O ATOM 323 O5' C B 11 22.947 40.815 38.455 1.00 0.00 O ATOM 324 C5' C B 11 23.481 41.763 39.313 1.00 0.00 C ATOM 325 C4' C B 11 22.833 41.764 40.731 1.00 0.00 C ATOM 326 O4' C B 11 21.391 41.811 40.705 1.00 0.00 O ATOM 327 C3' C B 11 23.158 40.539 41.588 1.00 0.00 C ATOM 328 O3' C B 11 24.543 40.357 41.965 1.00 0.00 O ATOM 329 C2' C B 11 22.091 40.601 42.616 1.00 0.00 C ATOM 330 O2' C B 11 22.522 41.448 43.697 1.00 0.00 O ATOM 331 C1' C B 11 20.946 41.169 41.863 1.00 0.00 C ATOM 332 N1 C B 11 20.079 40.042 41.432 1.00 0.00 N ATOM 333 C2 C B 11 19.041 39.615 42.271 1.00 0.00 C ATOM 334 O2 C B 11 18.946 40.069 43.427 1.00 0.00 O ATOM 335 N3 C B 11 18.116 38.702 41.948 1.00 0.00 N ATOM 336 C4 C B 11 18.171 38.129 40.739 1.00 0.00 C ATOM 337 N4 C B 11 17.216 37.371 40.467 1.00 0.00 N ATOM 338 C5 C B 11 19.304 38.435 39.843 1.00 0.00 C ATOM 339 C6 C B 11 20.187 39.402 40.194 1.00 0.00 C ATOM 0 H5' C B 11 23.361 42.751 38.868 1.00 0.00 H new ATOM 0 H5'' C B 11 24.552 41.587 39.413 1.00 0.00 H new ATOM 0 H4' C B 11 23.268 42.666 41.162 1.00 0.00 H new ATOM 0 H3' C B 11 23.124 39.584 41.064 1.00 0.00 H new ATOM 0 H2' C B 11 21.837 39.647 43.078 1.00 0.00 H new ATOM 0 HO2' C B 11 23.498 41.529 43.680 1.00 0.00 H new ATOM 0 H1' C B 11 20.418 41.879 42.500 1.00 0.00 H new ATOM 0 H41 C B 11 17.183 36.896 39.565 1.00 0.00 H new ATOM 0 H42 C B 11 16.469 37.228 41.147 1.00 0.00 H new ATOM 0 H5 C B 11 19.428 37.894 38.917 1.00 0.00 H new ATOM 0 H6 C B 11 20.978 39.679 39.513 1.00 0.00 H new ATOM 351 P G B 12 25.147 38.949 42.038 1.00 0.00 P ATOM 352 OP1 G B 12 26.621 39.060 42.203 1.00 0.00 O ATOM 353 OP2 G B 12 24.566 38.059 40.945 1.00 0.00 O ATOM 354 O5' G B 12 24.460 38.598 43.432 1.00 0.00 O ATOM 355 C5' G B 12 24.024 37.295 43.704 1.00 0.00 C ATOM 356 C4' G B 12 23.356 37.342 45.063 1.00 0.00 C ATOM 357 O4' G B 12 22.075 37.918 44.851 1.00 0.00 O ATOM 358 C3' G B 12 23.115 35.925 45.664 1.00 0.00 C ATOM 359 O3' G B 12 24.224 35.576 46.464 1.00 0.00 O ATOM 360 C2' G B 12 21.944 36.274 46.499 1.00 0.00 C ATOM 361 O2' G B 12 22.248 36.883 47.722 1.00 0.00 O ATOM 362 C1' G B 12 21.133 37.222 45.582 1.00 0.00 C ATOM 363 N9 G B 12 20.344 36.374 44.620 1.00 0.00 N ATOM 364 C8 G B 12 20.513 36.274 43.178 1.00 0.00 C ATOM 365 N7 G B 12 19.512 35.589 42.622 1.00 0.00 N ATOM 366 C5 G B 12 18.714 35.212 43.645 1.00 0.00 C ATOM 367 C6 G B 12 17.478 34.498 43.646 1.00 0.00 C ATOM 368 O6 G B 12 16.888 34.046 42.635 1.00 0.00 O ATOM 369 N1 G B 12 16.823 34.367 44.862 1.00 0.00 N ATOM 370 C2 G B 12 17.281 35.043 45.951 1.00 0.00 C ATOM 371 N2 G B 12 16.595 34.885 47.011 1.00 0.00 N ATOM 372 N3 G B 12 18.476 35.707 46.065 1.00 0.00 N ATOM 373 C4 G B 12 19.156 35.717 44.855 1.00 0.00 C ATOM 0 H5' G B 12 24.862 36.598 43.707 1.00 0.00 H new ATOM 0 H5'' G B 12 23.326 36.952 42.940 1.00 0.00 H new ATOM 0 H4' G B 12 23.995 37.898 45.749 1.00 0.00 H new ATOM 0 H3' G B 12 22.977 35.093 44.974 1.00 0.00 H new ATOM 0 H2' G B 12 21.409 35.377 46.811 1.00 0.00 H new ATOM 0 HO2' G B 12 23.186 36.713 47.948 1.00 0.00 H new ATOM 0 H1' G B 12 20.467 37.877 46.144 1.00 0.00 H new ATOM 0 H8 G B 12 21.341 36.699 42.629 1.00 0.00 H new ATOM 0 H1 G B 12 16.002 33.767 44.940 1.00 0.00 H new ATOM 0 H21 G B 12 16.871 35.357 47.872 1.00 0.00 H new ATOM 0 H22 G B 12 15.769 34.286 47.000 1.00 0.00 H new ATOM 385 P C B 13 24.462 34.062 46.750 1.00 0.00 P ATOM 386 OP1 C B 13 25.610 33.903 47.619 1.00 0.00 O ATOM 387 OP2 C B 13 24.481 33.262 45.488 1.00 0.00 O ATOM 388 O5' C B 13 23.173 33.523 47.524 1.00 0.00 O ATOM 389 C5' C B 13 22.904 33.695 48.882 1.00 0.00 C ATOM 390 C4' C B 13 21.594 33.015 49.344 1.00 0.00 C ATOM 391 O4' C B 13 20.621 33.538 48.517 1.00 0.00 O ATOM 392 C3' C B 13 21.612 31.521 49.005 1.00 0.00 C ATOM 393 O3' C B 13 22.343 30.788 49.995 1.00 0.00 O ATOM 394 C2' C B 13 20.108 31.218 48.909 1.00 0.00 C ATOM 395 O2' C B 13 19.567 31.175 50.224 1.00 0.00 O ATOM 396 C1' C B 13 19.582 32.520 48.352 1.00 0.00 C ATOM 397 N1 C B 13 19.349 32.273 46.916 1.00 0.00 N ATOM 398 C2 C B 13 18.248 31.514 46.578 1.00 0.00 C ATOM 399 O2 C B 13 17.420 31.178 47.426 1.00 0.00 O ATOM 400 N3 C B 13 18.060 30.955 45.352 1.00 0.00 N ATOM 401 C4 C B 13 18.833 31.365 44.399 1.00 0.00 C ATOM 402 N4 C B 13 18.459 31.057 43.211 1.00 0.00 N ATOM 403 C5 C B 13 19.895 32.241 44.655 1.00 0.00 C ATOM 404 C6 C B 13 20.234 32.563 45.921 1.00 0.00 C ATOM 0 H5' C B 13 22.847 34.761 49.100 1.00 0.00 H new ATOM 0 H5'' C B 13 23.736 33.295 49.462 1.00 0.00 H new ATOM 0 H4' C B 13 21.447 33.165 50.414 1.00 0.00 H new ATOM 0 H3' C B 13 22.129 31.234 48.089 1.00 0.00 H new ATOM 0 H2' C B 13 19.886 30.303 48.359 1.00 0.00 H new ATOM 0 HO2' C B 13 19.823 30.333 50.656 1.00 0.00 H new ATOM 0 H1' C B 13 18.672 32.857 48.849 1.00 0.00 H new ATOM 0 H41 C B 13 19.019 31.346 42.409 1.00 0.00 H new ATOM 0 H42 C B 13 17.602 30.523 43.069 1.00 0.00 H new ATOM 0 H5 C B 13 20.449 32.664 43.830 1.00 0.00 H new ATOM 0 H6 C B 13 21.180 33.037 46.139 1.00 0.00 H new ATOM 416 P U B 14 22.554 29.178 49.829 1.00 0.00 P ATOM 417 OP1 U B 14 23.170 28.704 51.042 1.00 0.00 O ATOM 418 OP2 U B 14 23.224 28.925 48.573 1.00 0.00 O ATOM 419 O5' U B 14 21.117 28.711 49.770 1.00 0.00 O ATOM 420 C5' U B 14 20.835 27.421 49.091 1.00 0.00 C ATOM 421 C4' U B 14 19.320 27.091 49.130 1.00 0.00 C ATOM 422 O4' U B 14 18.538 27.665 48.073 1.00 0.00 O ATOM 423 C3' U B 14 19.154 25.621 49.024 1.00 0.00 C ATOM 424 O3' U B 14 19.289 24.978 50.306 1.00 0.00 O ATOM 425 C2' U B 14 17.686 25.536 48.471 1.00 0.00 C ATOM 426 O2' U B 14 16.810 25.834 49.514 1.00 0.00 O ATOM 427 C1' U B 14 17.689 26.665 47.482 1.00 0.00 C ATOM 428 N1 U B 14 18.179 26.206 46.123 1.00 0.00 N ATOM 429 C2 U B 14 17.252 25.422 45.383 1.00 0.00 C ATOM 430 O2 U B 14 16.328 24.801 45.908 1.00 0.00 O ATOM 431 N3 U B 14 17.509 25.303 44.017 1.00 0.00 N ATOM 432 C4 U B 14 18.507 25.903 43.289 1.00 0.00 C ATOM 433 O4 U B 14 18.594 25.847 42.069 1.00 0.00 O ATOM 434 C5 U B 14 19.243 26.804 44.087 1.00 0.00 C ATOM 435 C6 U B 14 19.134 26.907 45.440 1.00 0.00 C ATOM 0 H5' U B 14 21.397 26.622 49.574 1.00 0.00 H new ATOM 0 H5'' U B 14 21.174 27.469 48.056 1.00 0.00 H new ATOM 0 H4' U B 14 18.960 27.516 50.067 1.00 0.00 H new ATOM 0 H3' U B 14 19.897 25.121 48.403 1.00 0.00 H new ATOM 0 H2' U B 14 17.395 24.572 48.054 1.00 0.00 H new ATOM 0 HO2' U B 14 17.267 25.706 50.372 1.00 0.00 H new ATOM 0 H1' U B 14 16.691 27.059 47.292 1.00 0.00 H new ATOM 0 H3 U B 14 16.878 24.695 43.495 1.00 0.00 H new ATOM 0 H5 U B 14 19.943 27.459 43.589 1.00 0.00 H new ATOM 0 H6 U B 14 19.811 27.551 45.981 1.00 0.00 H new ATOM 446 P G B 15 20.269 23.739 50.530 1.00 0.00 P ATOM 447 OP1 G B 15 20.484 23.538 51.983 1.00 0.00 O ATOM 448 OP2 G B 15 21.434 23.925 49.656 1.00 0.00 O ATOM 449 O5' G B 15 19.360 22.598 49.952 1.00 0.00 O ATOM 450 C5' G B 15 18.148 22.156 50.625 1.00 0.00 C ATOM 451 C4' G B 15 17.403 21.175 49.769 1.00 0.00 C ATOM 452 O4' G B 15 16.854 21.786 48.631 1.00 0.00 O ATOM 453 C3' G B 15 18.317 20.050 49.246 1.00 0.00 C ATOM 454 O3' G B 15 18.356 19.074 50.224 1.00 0.00 O ATOM 455 C2' G B 15 17.547 19.671 47.970 1.00 0.00 C ATOM 456 O2' G B 15 16.463 18.824 48.379 1.00 0.00 O ATOM 457 C1' G B 15 17.002 20.978 47.472 1.00 0.00 C ATOM 458 N9 G B 15 17.781 21.665 46.401 1.00 0.00 N ATOM 459 C8 G B 15 18.882 22.522 46.492 1.00 0.00 C ATOM 460 N7 G B 15 19.329 22.839 45.291 1.00 0.00 N ATOM 461 C5 G B 15 18.415 22.246 44.365 1.00 0.00 C ATOM 462 C6 G B 15 18.546 22.056 42.987 1.00 0.00 C ATOM 463 O6 G B 15 19.327 22.568 42.225 1.00 0.00 O ATOM 464 N1 G B 15 17.633 21.108 42.507 1.00 0.00 N ATOM 465 C2 G B 15 16.748 20.480 43.239 1.00 0.00 C ATOM 466 N2 G B 15 15.889 19.841 42.555 1.00 0.00 N ATOM 467 N3 G B 15 16.712 20.525 44.555 1.00 0.00 N ATOM 468 C4 G B 15 17.572 21.399 45.092 1.00 0.00 C ATOM 0 H5' G B 15 17.512 23.014 50.844 1.00 0.00 H new ATOM 0 H5'' G B 15 18.402 21.696 51.580 1.00 0.00 H new ATOM 0 H4' G B 15 16.623 20.774 50.416 1.00 0.00 H new ATOM 0 H3' G B 15 19.363 20.268 49.033 1.00 0.00 H new ATOM 0 H2' G B 15 18.144 19.162 47.213 1.00 0.00 H new ATOM 0 HO2' G B 15 16.690 18.389 49.228 1.00 0.00 H new ATOM 0 H1' G B 15 16.062 20.787 46.955 1.00 0.00 H new ATOM 0 H8 G B 15 19.309 22.876 47.419 1.00 0.00 H new ATOM 0 H1 G B 15 17.660 20.890 41.511 1.00 0.00 H new ATOM 0 H21 G B 15 15.152 19.315 43.025 1.00 0.00 H new ATOM 0 H22 G B 15 15.936 19.854 41.536 1.00 0.00 H new ATOM 480 P C B 16 19.464 17.997 50.191 1.00 0.00 P ATOM 481 OP1 C B 16 19.168 17.047 51.261 1.00 0.00 O ATOM 482 OP2 C B 16 20.778 18.711 50.147 1.00 0.00 O ATOM 483 O5' C B 16 19.272 17.292 48.822 1.00 0.00 O ATOM 484 C5' C B 16 18.499 16.061 48.771 1.00 0.00 C ATOM 485 C4' C B 16 18.216 15.592 47.311 1.00 0.00 C ATOM 486 O4' C B 16 17.674 16.540 46.424 1.00 0.00 O ATOM 487 C3' C B 16 19.575 15.159 46.783 1.00 0.00 C ATOM 488 O3' C B 16 19.812 13.808 47.198 1.00 0.00 O ATOM 489 C2' C B 16 19.355 15.312 45.292 1.00 0.00 C ATOM 490 O2' C B 16 18.849 14.116 44.717 1.00 0.00 O ATOM 491 C1' C B 16 18.402 16.522 45.237 1.00 0.00 C ATOM 492 N1 C B 16 19.072 17.804 44.755 1.00 0.00 N ATOM 493 C2 C B 16 19.161 18.090 43.397 1.00 0.00 C ATOM 494 O2 C B 16 18.548 17.462 42.478 1.00 0.00 O ATOM 495 N3 C B 16 19.984 19.066 43.013 1.00 0.00 N ATOM 496 C4 C B 16 20.719 19.822 43.846 1.00 0.00 C ATOM 497 N4 C B 16 21.533 20.733 43.350 1.00 0.00 N ATOM 498 C5 C B 16 20.796 19.401 45.216 1.00 0.00 C ATOM 499 C6 C B 16 19.928 18.424 45.603 1.00 0.00 C ATOM 0 H5' C B 16 17.553 16.209 49.291 1.00 0.00 H new ATOM 0 H5'' C B 16 19.037 15.276 49.303 1.00 0.00 H new ATOM 0 H4' C B 16 17.446 14.822 47.357 1.00 0.00 H new ATOM 0 H3' C B 16 20.446 15.715 47.130 1.00 0.00 H new ATOM 0 H2' C B 16 20.255 15.484 44.702 1.00 0.00 H new ATOM 0 HO2' C B 16 19.544 13.426 44.733 1.00 0.00 H new ATOM 0 H1' C B 16 17.660 16.427 44.444 1.00 0.00 H new ATOM 0 H41 C B 16 22.094 21.311 43.976 1.00 0.00 H new ATOM 0 H42 C B 16 21.602 20.860 42.340 1.00 0.00 H new ATOM 0 H5 C B 16 21.505 19.836 45.905 1.00 0.00 H new ATOM 0 H6 C B 16 19.922 18.128 46.642 1.00 0.00 H new ATOM 511 P G B 17 21.231 13.191 46.879 1.00 0.00 P ATOM 512 OP1 G B 17 21.322 11.844 47.351 1.00 0.00 O ATOM 513 OP2 G B 17 22.234 14.172 47.337 1.00 0.00 O ATOM 514 O5' G B 17 21.272 13.197 45.320 1.00 0.00 O ATOM 515 C5' G B 17 22.407 13.344 44.483 1.00 0.00 C ATOM 516 C4' G B 17 21.955 13.362 43.065 1.00 0.00 C ATOM 517 O4' G B 17 21.224 14.518 42.614 1.00 0.00 O ATOM 518 C3' G B 17 23.058 13.069 42.012 1.00 0.00 C ATOM 519 O3' G B 17 23.431 11.705 41.945 1.00 0.00 O ATOM 520 C2' G B 17 22.277 13.560 40.758 1.00 0.00 C ATOM 521 O2' G B 17 21.266 12.702 40.302 1.00 0.00 O ATOM 522 C1' G B 17 21.718 14.843 41.338 1.00 0.00 C ATOM 523 N9 G B 17 22.709 15.932 41.436 1.00 0.00 N ATOM 524 C8 G B 17 23.453 16.376 42.531 1.00 0.00 C ATOM 525 N7 G B 17 24.166 17.439 42.282 1.00 0.00 N ATOM 526 C5 G B 17 24.078 17.581 40.884 1.00 0.00 C ATOM 527 C6 G B 17 24.707 18.479 39.962 1.00 0.00 C ATOM 528 O6 G B 17 25.613 19.311 40.248 1.00 0.00 O ATOM 529 N1 G B 17 24.284 18.254 38.643 1.00 0.00 N ATOM 530 C2 G B 17 23.463 17.266 38.224 1.00 0.00 C ATOM 531 N2 G B 17 23.105 17.276 36.969 1.00 0.00 N ATOM 532 N3 G B 17 22.849 16.416 39.059 1.00 0.00 N ATOM 533 C4 G B 17 23.207 16.638 40.346 1.00 0.00 C ATOM 0 H5' G B 17 23.106 12.524 44.646 1.00 0.00 H new ATOM 0 H5'' G B 17 22.936 14.266 44.723 1.00 0.00 H new ATOM 0 H4' G B 17 21.254 12.529 43.118 1.00 0.00 H new ATOM 0 H3' G B 17 24.026 13.538 42.190 1.00 0.00 H new ATOM 0 H2' G B 17 22.889 13.644 39.860 1.00 0.00 H new ATOM 0 HO2' G B 17 21.420 11.800 40.652 1.00 0.00 H new ATOM 0 H1' G B 17 20.943 15.225 40.674 1.00 0.00 H new ATOM 0 H8 G B 17 23.439 15.885 43.493 1.00 0.00 H new ATOM 0 H1 G B 17 24.630 18.898 37.932 1.00 0.00 H new ATOM 0 H21 G B 17 22.486 16.549 36.609 1.00 0.00 H new ATOM 0 H22 G B 17 23.444 18.011 36.348 1.00 0.00 H new ATOM 545 P G B 18 24.862 11.209 41.457 1.00 0.00 P ATOM 546 OP1 G B 18 24.771 9.787 41.330 1.00 0.00 O ATOM 547 OP2 G B 18 25.952 11.738 42.292 1.00 0.00 O ATOM 548 O5' G B 18 24.988 11.896 40.042 1.00 0.00 O ATOM 549 C5' G B 18 24.301 11.404 38.961 1.00 0.00 C ATOM 550 C4' G B 18 24.560 12.171 37.665 1.00 0.00 C ATOM 551 O4' G B 18 24.273 13.592 37.865 1.00 0.00 O ATOM 552 C3' G B 18 25.973 12.099 37.110 1.00 0.00 C ATOM 553 O3' G B 18 26.089 11.034 36.156 1.00 0.00 O ATOM 554 C2' G B 18 26.173 13.440 36.359 1.00 0.00 C ATOM 555 O2' G B 18 25.607 13.380 35.050 1.00 0.00 O ATOM 556 C1' G B 18 25.280 14.398 37.200 1.00 0.00 C ATOM 557 N9 G B 18 26.210 15.120 38.112 1.00 0.00 N ATOM 558 C8 G B 18 26.256 15.022 39.505 1.00 0.00 C ATOM 559 N7 G B 18 27.074 15.845 40.060 1.00 0.00 N ATOM 560 C5 G B 18 27.630 16.553 38.951 1.00 0.00 C ATOM 561 C6 G B 18 28.529 17.700 38.905 1.00 0.00 C ATOM 562 O6 G B 18 29.052 18.330 39.803 1.00 0.00 O ATOM 563 N1 G B 18 28.608 18.284 37.583 1.00 0.00 N ATOM 564 C2 G B 18 28.009 17.710 36.508 1.00 0.00 C ATOM 565 N2 G B 18 28.399 18.224 35.384 1.00 0.00 N ATOM 566 N3 G B 18 27.313 16.570 36.459 1.00 0.00 N ATOM 567 C4 G B 18 27.132 16.113 37.749 1.00 0.00 C ATOM 0 H5' G B 18 23.233 11.428 39.179 1.00 0.00 H new ATOM 0 H5'' G B 18 24.573 10.359 38.814 1.00 0.00 H new ATOM 0 H4' G B 18 23.905 11.681 36.945 1.00 0.00 H new ATOM 0 H3' G B 18 26.701 11.927 37.903 1.00 0.00 H new ATOM 0 H2' G B 18 27.222 13.718 36.256 1.00 0.00 H new ATOM 0 HO2' G B 18 25.613 12.453 34.733 1.00 0.00 H new ATOM 0 HO3' G B 18 27.005 11.004 35.809 1.00 0.00 H new ATOM 0 H1' G B 18 24.732 15.144 36.624 1.00 0.00 H new ATOM 0 H8 G B 18 25.658 14.318 40.065 1.00 0.00 H new ATOM 0 H1 G B 18 29.129 19.152 37.455 1.00 0.00 H new ATOM 0 H21 G B 18 28.019 17.875 34.504 1.00 0.00 H new ATOM 0 H22 G B 18 29.086 18.978 35.379 1.00 0.00 H new TER 580 G B 18 END