USER MOD reduce.3.24.130724 H: found=0, std=0, add=142, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 142 hydrogens (0 hets) HEADER RNA 25-DEC-00 1HS8 TITLE SOLUTION STRUCTURE OF RNA HAIRPIN LOOP UCAAUU AS PART OF TITLE 2 HAIRPIN R(GCGUCAAUUCGCA) COMPND MOL_ID: 1; COMPND 2 MOLECULE: 5'-R(*GP*CP*GP*UP*CP*AP*AP*UP*UP*CP*GP*CP*A)-3'; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES KEYWDS RIBONUCLEIC ACID, HAIRPIN LOOP, RNA STRUCTURE EXPDTA SOLUTION NMR AUTHOR H.ZHANG,B.RICART,M.HUCK,T.R.KRUGH REVDAT 2 24-FEB-09 1HS8 1 VERSN REVDAT 1 02-SEP-03 1HS8 0 JRNL AUTH H.ZHANG,B.RICART,M.HUCK,T.R.KRUGH JRNL TITL STRUCTURAL CHARACTERIZATION OF SIX-NUCLEOTIDE RNA JRNL TITL 2 HAIRPIN LOOPS R(UCAAUU) JRNL REF TO BE PUBLISHED JRNL REFN REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : DISCOVER VERSION 2.98 REMARK 3 AUTHORS : MSI REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1HS8 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 03-JAN-01. REMARK 100 THE RCSB ID CODE IS RCSB012559. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 293 REMARK 210 PH : 6.0 REMARK 210 IONIC STRENGTH : 0.05 M NACL, 0.005 M SODIUM REMARK 210 PHOSPHATE REMARK 210 PRESSURE : 1.0 ATM REMARK 210 SAMPLE CONTENTS : 1 MM RNA OLIGOMER - H2O; 1 MM REMARK 210 RNA OLIGOMER - D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY 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 : DISCOVER VERSION 2.98 REMARK 210 METHOD USED : RESTRAINED MOLECULAR DYNAMICS REMARK 210 & ENERGY MINIMIZATION REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 30 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : AVERAGE STRUCTURE OF 30 REMARK 210 CONFORMERS REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL 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 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 U A 4 O4' - C1' - N1 ANGL. DEV. = 4.9 DEGREES REMARK 500 C A 10 O4' - C1' - N1 ANGL. DEV. = 4.2 DEGREES REMARK 500 C A 12 O4' - C1' - N1 ANGL. DEV. = 4.2 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 U A 8 0.06 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1HS1 RELATED DB: PDB REMARK 900 RNA HAIRPIN LOOP UUAACU AS PART OF HAIRPIN R(GCGUUAACUCGCA) REMARK 900 RELATED ID: 1HS2 RELATED DB: PDB REMARK 900 RNA HAIRPIN LOOP UUAAGU AS PART OF HAIRPIN R(GCGUUAAGUCGCA) REMARK 900 RELATED ID: 1HS3 RELATED DB: PDB REMARK 900 RNA HAIRPIN LOOP UUAAUU AS PART OF HAIRPIN R(GCGUUAAUUCGCA) REMARK 900 RELATED ID: 1HS4 RELATED DB: PDB REMARK 900 RNA HAIRPIN LOOP UUAAAU AS PART OF HAIRPIN R(GCGUUAAAUCGCA) DBREF 1HS8 A 1 13 PDB 1HS8 1HS8 1 13 SEQRES 1 A 13 G C G U C A A U U C G C A 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 G O2' : rot -17:sc= 0.0257 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 C O2' : rot -26:sc= 0.0527 USER MOD Single : A 3 G O2' : rot -18:sc= 0.0725 USER MOD Single : A 4 U O2' : rot -122:sc= 0.0845 USER MOD Single : A 5 C O2' : rot -111:sc= 0.279 USER MOD Single : A 6 A O2' : rot -17:sc= 0.064 USER MOD Single : A 7 A O2' : rot -14:sc= 0.0631 USER MOD Single : A 8 U O2' : rot 4:sc= 0.265 USER MOD Single : A 9 U O2' : rot 91:sc= 0.552 USER MOD Single : A 10 C O2' : rot 180:sc=-0.00158 USER MOD Single : A 11 G O2' : rot 180:sc= -0.0363 USER MOD Single : A 12 C O2' : rot -25:sc= 0.039 USER MOD Single : A 13 A O2' : rot -25:sc= 0.042 USER MOD Single : A 13 A O3' : rot 180:sc= 0.051 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 13.863 17.172 2.627 1.00 0.00 O ATOM 2 C5' G A 1 13.978 17.667 3.942 1.00 0.00 C ATOM 3 C4' G A 1 12.956 17.013 4.886 1.00 0.00 C ATOM 4 O4' G A 1 13.412 15.780 5.426 1.00 0.00 O ATOM 5 C3' G A 1 12.717 17.934 6.076 1.00 0.00 C ATOM 6 O3' G A 1 11.771 18.940 5.741 1.00 0.00 O ATOM 7 C2' G A 1 12.264 16.954 7.152 1.00 0.00 C ATOM 8 O2' G A 1 10.914 16.565 7.008 1.00 0.00 O ATOM 9 C1' G A 1 13.157 15.752 6.827 1.00 0.00 C ATOM 10 N9 G A 1 14.415 15.839 7.606 1.00 0.00 N ATOM 11 C8 G A 1 15.702 16.089 7.193 1.00 0.00 C ATOM 12 N7 G A 1 16.585 16.067 8.151 1.00 0.00 N ATOM 13 C5 G A 1 15.836 15.792 9.289 1.00 0.00 C ATOM 14 C6 G A 1 16.243 15.630 10.653 1.00 0.00 C ATOM 15 O6 G A 1 17.382 15.695 11.105 1.00 0.00 O ATOM 16 N1 G A 1 15.168 15.374 11.516 1.00 0.00 N ATOM 17 C2 G A 1 13.840 15.291 11.107 1.00 0.00 C ATOM 18 N2 G A 1 12.915 15.049 12.044 1.00 0.00 N ATOM 19 N3 G A 1 13.464 15.433 9.821 1.00 0.00 N ATOM 20 C4 G A 1 14.502 15.677 8.965 1.00 0.00 C ATOM 0 H5' G A 1 13.831 18.747 3.939 1.00 0.00 H new ATOM 0 H5'' G A 1 14.986 17.483 4.313 1.00 0.00 H new ATOM 0 H4' G A 1 12.058 16.837 4.294 1.00 0.00 H new ATOM 0 H3' G A 1 13.580 18.511 6.409 1.00 0.00 H new ATOM 0 H2' G A 1 12.339 17.365 8.159 1.00 0.00 H new ATOM 0 HO2' G A 1 10.454 17.195 6.415 1.00 0.00 H new ATOM 0 HO5' G A 1 14.526 17.610 2.053 1.00 0.00 H new ATOM 0 H1' G A 1 12.673 14.813 7.095 1.00 0.00 H new ATOM 0 H8 G A 1 15.959 16.287 6.163 1.00 0.00 H new ATOM 0 H1 G A 1 15.372 15.240 12.506 1.00 0.00 H new ATOM 0 H21 G A 1 11.931 14.981 11.784 1.00 0.00 H new ATOM 0 H22 G A 1 13.194 14.933 13.018 1.00 0.00 H new ATOM 33 P C A 2 11.796 20.397 6.429 1.00 0.00 P ATOM 34 OP1 C A 2 10.681 21.200 5.880 1.00 0.00 O ATOM 35 OP2 C A 2 13.180 20.920 6.366 1.00 0.00 O ATOM 36 O5' C A 2 11.465 20.029 7.958 1.00 0.00 O ATOM 37 C5' C A 2 10.166 19.665 8.389 1.00 0.00 C ATOM 38 C4' C A 2 10.219 19.265 9.866 1.00 0.00 C ATOM 39 O4' C A 2 11.134 18.221 10.143 1.00 0.00 O ATOM 40 C3' C A 2 10.687 20.442 10.706 1.00 0.00 C ATOM 41 O3' C A 2 9.637 21.390 10.807 1.00 0.00 O ATOM 42 C2' C A 2 11.085 19.734 11.997 1.00 0.00 C ATOM 43 O2' C A 2 9.958 19.487 12.814 1.00 0.00 O ATOM 44 C1' C A 2 11.669 18.419 11.448 1.00 0.00 C ATOM 45 N1 C A 2 13.165 18.483 11.442 1.00 0.00 N ATOM 46 C2 C A 2 13.830 18.190 12.643 1.00 0.00 C ATOM 47 O2 C A 2 13.202 17.869 13.650 1.00 0.00 O ATOM 48 N3 C A 2 15.195 18.267 12.668 1.00 0.00 N ATOM 49 C4 C A 2 15.905 18.629 11.582 1.00 0.00 C ATOM 50 N4 C A 2 17.240 18.676 11.670 1.00 0.00 N ATOM 51 C5 C A 2 15.246 18.957 10.343 1.00 0.00 C ATOM 52 C6 C A 2 13.889 18.875 10.326 1.00 0.00 C ATOM 0 H5' C A 2 9.790 18.837 7.789 1.00 0.00 H new ATOM 0 H5'' C A 2 9.477 20.498 8.250 1.00 0.00 H new ATOM 0 H4' C A 2 9.207 18.937 10.104 1.00 0.00 H new ATOM 0 H3' C A 2 11.513 21.041 10.323 1.00 0.00 H new ATOM 0 H2' C A 2 11.769 20.303 12.627 1.00 0.00 H new ATOM 0 HO2' C A 2 9.263 20.151 12.622 1.00 0.00 H new ATOM 0 H1' C A 2 11.396 17.572 12.078 1.00 0.00 H new ATOM 0 H41 C A 2 17.795 18.948 10.859 1.00 0.00 H new ATOM 0 H42 C A 2 17.702 18.440 12.548 1.00 0.00 H new ATOM 0 H5 C A 2 15.805 19.254 9.468 1.00 0.00 H new ATOM 0 H6 C A 2 13.360 19.122 9.418 1.00 0.00 H new ATOM 64 P G A 3 9.894 22.883 11.335 1.00 0.00 P ATOM 65 OP1 G A 3 8.608 23.612 11.350 1.00 0.00 O ATOM 66 OP2 G A 3 11.057 23.441 10.607 1.00 0.00 O ATOM 67 O5' G A 3 10.315 22.572 12.853 1.00 0.00 O ATOM 68 C5' G A 3 11.141 23.452 13.575 1.00 0.00 C ATOM 69 C4' G A 3 11.448 22.863 14.953 1.00 0.00 C ATOM 70 O4' G A 3 11.975 21.548 14.878 1.00 0.00 O ATOM 71 C3' G A 3 12.515 23.726 15.619 1.00 0.00 C ATOM 72 O3' G A 3 11.947 24.840 16.288 1.00 0.00 O ATOM 73 C2' G A 3 13.179 22.725 16.551 1.00 0.00 C ATOM 74 O2' G A 3 12.421 22.533 17.728 1.00 0.00 O ATOM 75 C1' G A 3 13.141 21.462 15.679 1.00 0.00 C ATOM 76 N9 G A 3 14.349 21.394 14.821 1.00 0.00 N ATOM 77 C8 G A 3 14.492 21.521 13.458 1.00 0.00 C ATOM 78 N7 G A 3 15.720 21.407 13.036 1.00 0.00 N ATOM 79 C5 G A 3 16.449 21.189 14.197 1.00 0.00 C ATOM 80 C6 G A 3 17.856 20.993 14.384 1.00 0.00 C ATOM 81 O6 G A 3 18.723 20.927 13.520 1.00 0.00 O ATOM 82 N1 G A 3 18.209 20.872 15.737 1.00 0.00 N ATOM 83 C2 G A 3 17.305 20.926 16.793 1.00 0.00 C ATOM 84 N2 G A 3 17.777 20.773 18.036 1.00 0.00 N ATOM 85 N3 G A 3 15.982 21.091 16.607 1.00 0.00 N ATOM 86 C4 G A 3 15.621 21.216 15.294 1.00 0.00 C ATOM 0 H5' G A 3 10.650 24.419 13.684 1.00 0.00 H new ATOM 0 H5'' G A 3 12.068 23.625 13.029 1.00 0.00 H new ATOM 0 H4' G A 3 10.511 22.837 15.510 1.00 0.00 H new ATOM 0 H3' G A 3 13.220 24.192 14.930 1.00 0.00 H new ATOM 0 H2' G A 3 14.169 23.023 16.896 1.00 0.00 H new ATOM 0 HO2' G A 3 11.792 23.277 17.837 1.00 0.00 H new ATOM 0 H1' G A 3 13.123 20.564 16.296 1.00 0.00 H new ATOM 0 H8 G A 3 13.658 21.700 12.795 1.00 0.00 H new ATOM 0 H1 G A 3 19.195 20.735 15.961 1.00 0.00 H new ATOM 0 H21 G A 3 17.139 20.808 18.831 1.00 0.00 H new ATOM 0 H22 G A 3 18.774 20.622 18.188 1.00 0.00 H new ATOM 98 P U A 4 12.676 26.278 16.299 1.00 0.00 P ATOM 99 OP1 U A 4 11.969 27.152 17.262 1.00 0.00 O ATOM 100 OP2 U A 4 12.847 26.717 14.895 1.00 0.00 O ATOM 101 O5' U A 4 14.132 25.919 16.895 1.00 0.00 O ATOM 102 C5' U A 4 14.341 25.641 18.268 1.00 0.00 C ATOM 103 C4' U A 4 15.814 25.301 18.522 1.00 0.00 C ATOM 104 O4' U A 4 16.240 24.139 17.830 1.00 0.00 O ATOM 105 C3' U A 4 16.753 26.404 18.047 1.00 0.00 C ATOM 106 O3' U A 4 16.716 27.536 18.902 1.00 0.00 O ATOM 107 C2' U A 4 18.075 25.641 18.029 1.00 0.00 C ATOM 108 O2' U A 4 18.618 25.499 19.322 1.00 0.00 O ATOM 109 C1' U A 4 17.626 24.261 17.529 1.00 0.00 C ATOM 110 N1 U A 4 17.930 24.139 16.073 1.00 0.00 N ATOM 111 C2 U A 4 19.265 23.885 15.726 1.00 0.00 C ATOM 112 O2 U A 4 20.144 23.706 16.567 1.00 0.00 O ATOM 113 N3 U A 4 19.560 23.852 14.365 1.00 0.00 N ATOM 114 C4 U A 4 18.648 24.058 13.329 1.00 0.00 C ATOM 115 O4 U A 4 19.015 23.983 12.160 1.00 0.00 O ATOM 116 C5 U A 4 17.291 24.348 13.774 1.00 0.00 C ATOM 117 C6 U A 4 16.978 24.380 15.096 1.00 0.00 C ATOM 0 H5' U A 4 13.710 24.808 18.578 1.00 0.00 H new ATOM 0 H5'' U A 4 14.050 26.503 18.869 1.00 0.00 H new ATOM 0 H4' U A 4 15.864 25.160 19.602 1.00 0.00 H new ATOM 0 H3' U A 4 16.514 26.858 17.085 1.00 0.00 H new ATOM 0 H2' U A 4 18.841 26.136 17.432 1.00 0.00 H new ATOM 0 HO2' U A 4 19.514 25.896 19.346 1.00 0.00 H new ATOM 0 H1' U A 4 18.158 23.445 18.018 1.00 0.00 H new ATOM 0 H3 U A 4 20.527 23.661 14.103 1.00 0.00 H new ATOM 0 H5 U A 4 16.521 24.541 13.041 1.00 0.00 H new ATOM 0 H6 U A 4 15.963 24.599 15.392 1.00 0.00 H new ATOM 128 P C A 5 17.432 28.927 18.505 1.00 0.00 P ATOM 129 OP1 C A 5 17.093 29.936 19.534 1.00 0.00 O ATOM 130 OP2 C A 5 17.144 29.210 17.081 1.00 0.00 O ATOM 131 O5' C A 5 18.997 28.557 18.637 1.00 0.00 O ATOM 132 C5' C A 5 19.683 28.530 19.880 1.00 0.00 C ATOM 133 C4' C A 5 21.169 28.217 19.638 1.00 0.00 C ATOM 134 O4' C A 5 21.421 27.010 18.936 1.00 0.00 O ATOM 135 C3' C A 5 21.794 29.294 18.765 1.00 0.00 C ATOM 136 O3' C A 5 21.931 30.496 19.502 1.00 0.00 O ATOM 137 C2' C A 5 23.094 28.619 18.342 1.00 0.00 C ATOM 138 O2' C A 5 24.096 28.763 19.327 1.00 0.00 O ATOM 139 C1' C A 5 22.649 27.148 18.215 1.00 0.00 C ATOM 140 N1 C A 5 22.497 26.781 16.769 1.00 0.00 N ATOM 141 C2 C A 5 23.624 26.317 16.065 1.00 0.00 C ATOM 142 O2 C A 5 24.709 26.180 16.621 1.00 0.00 O ATOM 143 N3 C A 5 23.493 26.001 14.740 1.00 0.00 N ATOM 144 C4 C A 5 22.315 26.135 14.101 1.00 0.00 C ATOM 145 N4 C A 5 22.239 25.764 12.816 1.00 0.00 N ATOM 146 C5 C A 5 21.157 26.665 14.782 1.00 0.00 C ATOM 147 C6 C A 5 21.302 26.975 16.098 1.00 0.00 C ATOM 0 H5' C A 5 19.243 27.777 20.534 1.00 0.00 H new ATOM 0 H5'' C A 5 19.580 29.490 20.385 1.00 0.00 H new ATOM 0 H4' C A 5 21.586 28.150 20.643 1.00 0.00 H new ATOM 0 H3' C A 5 21.221 29.616 17.895 1.00 0.00 H new ATOM 0 H2' C A 5 23.533 29.035 17.435 1.00 0.00 H new ATOM 0 HO2' C A 5 24.796 29.363 18.996 1.00 0.00 H new ATOM 0 H1' C A 5 23.392 26.469 18.634 1.00 0.00 H new ATOM 0 H41 C A 5 21.358 25.856 12.310 1.00 0.00 H new ATOM 0 H42 C A 5 23.062 25.390 12.344 1.00 0.00 H new ATOM 0 H5 C A 5 20.218 26.809 14.269 1.00 0.00 H new ATOM 0 H6 C A 5 20.460 27.385 16.636 1.00 0.00 H new ATOM 159 P A A 6 22.104 31.924 18.783 1.00 0.00 P ATOM 160 OP1 A A 6 22.069 32.970 19.828 1.00 0.00 O ATOM 161 OP2 A A 6 21.165 31.994 17.640 1.00 0.00 O ATOM 162 O5' A A 6 23.603 31.840 18.208 1.00 0.00 O ATOM 163 C5' A A 6 24.134 32.885 17.419 1.00 0.00 C ATOM 164 C4' A A 6 25.587 32.597 17.042 1.00 0.00 C ATOM 165 O4' A A 6 26.425 32.533 18.182 1.00 0.00 O ATOM 166 C3' A A 6 25.787 31.261 16.332 1.00 0.00 C ATOM 167 O3' A A 6 25.306 31.295 14.993 1.00 0.00 O ATOM 168 C2' A A 6 27.306 31.154 16.457 1.00 0.00 C ATOM 169 O2' A A 6 27.954 31.958 15.487 1.00 0.00 O ATOM 170 C1' A A 6 27.551 31.728 17.862 1.00 0.00 C ATOM 171 N9 A A 6 27.737 30.644 18.860 1.00 0.00 N ATOM 172 C8 A A 6 26.924 30.254 19.898 1.00 0.00 C ATOM 173 N7 A A 6 27.436 29.333 20.667 1.00 0.00 N ATOM 174 C5 A A 6 28.677 29.077 20.096 1.00 0.00 C ATOM 175 C6 A A 6 29.748 28.206 20.434 1.00 0.00 C ATOM 176 N6 A A 6 29.725 27.412 21.511 1.00 0.00 N ATOM 177 N1 A A 6 30.835 28.161 19.621 1.00 0.00 N ATOM 178 C2 A A 6 30.867 28.948 18.538 1.00 0.00 C ATOM 179 N3 A A 6 29.940 29.824 18.131 1.00 0.00 N ATOM 180 C4 A A 6 28.853 29.845 18.964 1.00 0.00 C ATOM 0 H5' A A 6 24.075 33.826 17.966 1.00 0.00 H new ATOM 0 H5'' A A 6 23.536 33.004 16.515 1.00 0.00 H new ATOM 0 H4' A A 6 25.844 33.424 16.380 1.00 0.00 H new ATOM 0 H3' A A 6 25.246 30.406 16.738 1.00 0.00 H new ATOM 0 H2' A A 6 27.684 30.142 16.309 1.00 0.00 H new ATOM 0 HO2' A A 6 27.316 32.199 14.783 1.00 0.00 H new ATOM 0 H1' A A 6 28.465 32.321 17.880 1.00 0.00 H new ATOM 0 H8 A A 6 25.943 30.675 20.063 1.00 0.00 H new ATOM 0 H61 A A 6 30.518 26.803 21.713 1.00 0.00 H new ATOM 0 H62 A A 6 28.914 27.416 22.130 1.00 0.00 H new ATOM 0 H2 A A 6 31.747 28.866 17.918 1.00 0.00 H new ATOM 192 P A A 7 24.858 29.957 14.201 1.00 0.00 P ATOM 193 OP1 A A 7 24.677 30.302 12.773 1.00 0.00 O ATOM 194 OP2 A A 7 23.745 29.327 14.944 1.00 0.00 O ATOM 195 O5' A A 7 26.158 29.011 14.340 1.00 0.00 O ATOM 196 C5' A A 7 27.313 29.183 13.536 1.00 0.00 C ATOM 197 C4' A A 7 28.408 28.194 13.958 1.00 0.00 C ATOM 198 O4' A A 7 28.857 28.387 15.284 1.00 0.00 O ATOM 199 C3' A A 7 27.906 26.758 13.894 1.00 0.00 C ATOM 200 O3' A A 7 27.941 26.338 12.541 1.00 0.00 O ATOM 201 C2' A A 7 28.878 26.037 14.822 1.00 0.00 C ATOM 202 O2' A A 7 30.069 25.654 14.165 1.00 0.00 O ATOM 203 C1' A A 7 29.192 27.132 15.855 1.00 0.00 C ATOM 204 N9 A A 7 28.412 26.906 17.094 1.00 0.00 N ATOM 205 C8 A A 7 27.180 27.391 17.463 1.00 0.00 C ATOM 206 N7 A A 7 26.739 26.929 18.600 1.00 0.00 N ATOM 207 C5 A A 7 27.753 26.082 19.028 1.00 0.00 C ATOM 208 C6 A A 7 27.935 25.282 20.187 1.00 0.00 C ATOM 209 N6 A A 7 27.029 25.216 21.170 1.00 0.00 N ATOM 210 N1 A A 7 29.091 24.582 20.323 1.00 0.00 N ATOM 211 C2 A A 7 30.021 24.673 19.363 1.00 0.00 C ATOM 212 N3 A A 7 29.960 25.374 18.225 1.00 0.00 N ATOM 213 C4 A A 7 28.786 26.071 18.116 1.00 0.00 C ATOM 0 H5' A A 7 27.681 30.205 13.630 1.00 0.00 H new ATOM 0 H5'' A A 7 27.060 29.030 12.487 1.00 0.00 H new ATOM 0 H4' A A 7 29.224 28.376 13.259 1.00 0.00 H new ATOM 0 H3' A A 7 26.878 26.578 14.209 1.00 0.00 H new ATOM 0 H2' A A 7 28.464 25.114 15.228 1.00 0.00 H new ATOM 0 HO2' A A 7 29.945 25.726 13.195 1.00 0.00 H new ATOM 0 H1' A A 7 30.250 27.110 16.115 1.00 0.00 H new ATOM 0 H8 A A 7 26.624 28.095 16.862 1.00 0.00 H new ATOM 0 H61 A A 7 27.202 24.627 21.985 1.00 0.00 H new ATOM 0 H62 A A 7 26.165 25.754 21.104 1.00 0.00 H new ATOM 0 H2 A A 7 30.930 24.113 19.528 1.00 0.00 H new ATOM 225 P U A 8 26.739 25.515 11.857 1.00 0.00 P ATOM 226 OP1 U A 8 26.974 25.489 10.396 1.00 0.00 O ATOM 227 OP2 U A 8 25.450 26.018 12.383 1.00 0.00 O ATOM 228 O5' U A 8 26.997 24.036 12.445 1.00 0.00 O ATOM 229 C5' U A 8 28.215 23.340 12.220 1.00 0.00 C ATOM 230 C4' U A 8 27.925 21.836 12.227 1.00 0.00 C ATOM 231 O4' U A 8 27.029 21.607 11.160 1.00 0.00 O ATOM 232 C3' U A 8 29.177 20.968 12.007 1.00 0.00 C ATOM 233 O3' U A 8 29.473 20.117 13.104 1.00 0.00 O ATOM 234 C2' U A 8 28.851 20.124 10.775 1.00 0.00 C ATOM 235 O2' U A 8 29.064 18.729 10.911 1.00 0.00 O ATOM 236 C1' U A 8 27.379 20.427 10.481 1.00 0.00 C ATOM 237 N1 U A 8 27.232 20.622 9.016 1.00 0.00 N ATOM 238 C2 U A 8 26.741 19.555 8.252 1.00 0.00 C ATOM 239 O2 U A 8 26.263 18.536 8.748 1.00 0.00 O ATOM 240 N3 U A 8 26.839 19.695 6.868 1.00 0.00 N ATOM 241 C4 U A 8 27.414 20.777 6.195 1.00 0.00 C ATOM 242 O4 U A 8 27.451 20.793 4.968 1.00 0.00 O ATOM 243 C5 U A 8 27.940 21.819 7.065 1.00 0.00 C ATOM 244 C6 U A 8 27.828 21.719 8.413 1.00 0.00 C ATOM 0 H5' U A 8 28.942 23.589 12.993 1.00 0.00 H new ATOM 0 H5'' U A 8 28.650 23.637 11.266 1.00 0.00 H new ATOM 0 H4' U A 8 27.527 21.559 13.203 1.00 0.00 H new ATOM 0 H3' U A 8 30.057 21.600 11.889 1.00 0.00 H new ATOM 0 H2' U A 8 29.532 20.390 9.966 1.00 0.00 H new ATOM 0 HO2' U A 8 29.336 18.528 11.831 1.00 0.00 H new ATOM 0 H1' U A 8 26.733 19.613 10.809 1.00 0.00 H new ATOM 0 H3 U A 8 26.457 18.941 6.296 1.00 0.00 H new ATOM 0 H5 U A 8 28.425 22.681 6.632 1.00 0.00 H new ATOM 0 H6 U A 8 28.213 22.515 9.033 1.00 0.00 H new ATOM 255 P U A 9 30.343 20.604 14.366 1.00 0.00 P ATOM 256 OP1 U A 9 31.343 21.595 13.908 1.00 0.00 O ATOM 257 OP2 U A 9 30.787 19.400 15.104 1.00 0.00 O ATOM 258 O5' U A 9 29.250 21.367 15.263 1.00 0.00 O ATOM 259 C5' U A 9 29.638 22.135 16.382 1.00 0.00 C ATOM 260 C4' U A 9 28.435 22.424 17.282 1.00 0.00 C ATOM 261 O4' U A 9 27.531 23.373 16.751 1.00 0.00 O ATOM 262 C3' U A 9 27.578 21.205 17.589 1.00 0.00 C ATOM 263 O3' U A 9 28.266 20.284 18.423 1.00 0.00 O ATOM 264 C2' U A 9 26.384 21.912 18.232 1.00 0.00 C ATOM 265 O2' U A 9 26.635 22.277 19.577 1.00 0.00 O ATOM 266 C1' U A 9 26.258 23.174 17.361 1.00 0.00 C ATOM 267 N1 U A 9 25.162 23.007 16.360 1.00 0.00 N ATOM 268 C2 U A 9 23.844 23.257 16.773 1.00 0.00 C ATOM 269 O2 U A 9 23.549 23.574 17.925 1.00 0.00 O ATOM 270 N3 U A 9 22.859 23.146 15.792 1.00 0.00 N ATOM 271 C4 U A 9 23.065 22.769 14.463 1.00 0.00 C ATOM 272 O4 U A 9 22.128 22.726 13.673 1.00 0.00 O ATOM 273 C5 U A 9 24.445 22.446 14.142 1.00 0.00 C ATOM 274 C6 U A 9 25.423 22.572 15.074 1.00 0.00 C ATOM 0 H5' U A 9 30.083 23.073 16.049 1.00 0.00 H new ATOM 0 H5'' U A 9 30.402 21.602 16.948 1.00 0.00 H new ATOM 0 H4' U A 9 28.925 22.800 18.180 1.00 0.00 H new ATOM 0 H3' U A 9 27.300 20.566 16.751 1.00 0.00 H new ATOM 0 H2' U A 9 25.493 21.286 18.269 1.00 0.00 H new ATOM 0 HO2' U A 9 27.016 23.180 19.605 1.00 0.00 H new ATOM 0 H1' U A 9 25.991 24.051 17.950 1.00 0.00 H new ATOM 0 H3 U A 9 21.901 23.360 16.070 1.00 0.00 H new ATOM 0 H5 U A 9 24.695 22.101 13.149 1.00 0.00 H new ATOM 0 H6 U A 9 26.439 22.324 14.802 1.00 0.00 H new ATOM 285 P C A 10 27.841 18.727 18.518 1.00 0.00 P ATOM 286 OP1 C A 10 28.746 18.060 19.482 1.00 0.00 O ATOM 287 OP2 C A 10 27.715 18.194 17.143 1.00 0.00 O ATOM 288 O5' C A 10 26.368 18.806 19.171 1.00 0.00 O ATOM 289 C5' C A 10 26.173 19.020 20.558 1.00 0.00 C ATOM 290 C4' C A 10 24.708 19.352 20.862 1.00 0.00 C ATOM 291 O4' C A 10 24.254 20.485 20.140 1.00 0.00 O ATOM 292 C3' C A 10 23.731 18.235 20.506 1.00 0.00 C ATOM 293 O3' C A 10 23.796 17.153 21.424 1.00 0.00 O ATOM 294 C2' C A 10 22.424 19.030 20.539 1.00 0.00 C ATOM 295 O2' C A 10 21.985 19.250 21.868 1.00 0.00 O ATOM 296 C1' C A 10 22.862 20.351 19.883 1.00 0.00 C ATOM 297 N1 C A 10 22.543 20.330 18.418 1.00 0.00 N ATOM 298 C2 C A 10 21.283 20.805 18.014 1.00 0.00 C ATOM 299 O2 C A 10 20.511 21.328 18.815 1.00 0.00 O ATOM 300 N3 C A 10 20.925 20.667 16.702 1.00 0.00 N ATOM 301 C4 C A 10 21.740 20.093 15.796 1.00 0.00 C ATOM 302 N4 C A 10 21.310 19.956 14.536 1.00 0.00 N ATOM 303 C5 C A 10 23.048 19.623 16.176 1.00 0.00 C ATOM 304 C6 C A 10 23.392 19.754 17.484 1.00 0.00 C ATOM 0 H5' C A 10 26.812 19.835 20.897 1.00 0.00 H new ATOM 0 H5'' C A 10 26.470 18.130 21.112 1.00 0.00 H new ATOM 0 H4' C A 10 24.713 19.523 21.938 1.00 0.00 H new ATOM 0 H3' C A 10 23.907 17.721 19.561 1.00 0.00 H new ATOM 0 H2' C A 10 21.589 18.532 20.046 1.00 0.00 H new ATOM 0 HO2' C A 10 21.149 19.761 21.856 1.00 0.00 H new ATOM 0 H1' C A 10 22.330 21.210 20.291 1.00 0.00 H new ATOM 0 H41 C A 10 21.913 19.524 13.836 1.00 0.00 H new ATOM 0 H42 C A 10 20.380 20.284 14.276 1.00 0.00 H new ATOM 0 H5 C A 10 23.723 19.187 15.455 1.00 0.00 H new ATOM 0 H6 C A 10 24.359 19.398 17.807 1.00 0.00 H new ATOM 316 P G A 11 23.176 15.698 21.082 1.00 0.00 P ATOM 317 OP1 G A 11 23.405 14.814 22.246 1.00 0.00 O ATOM 318 OP2 G A 11 23.663 15.288 19.745 1.00 0.00 O ATOM 319 O5' G A 11 21.594 15.991 20.969 1.00 0.00 O ATOM 320 C5' G A 11 20.781 16.188 22.112 1.00 0.00 C ATOM 321 C4' G A 11 19.353 16.544 21.687 1.00 0.00 C ATOM 322 O4' G A 11 19.308 17.701 20.869 1.00 0.00 O ATOM 323 C3' G A 11 18.687 15.439 20.870 1.00 0.00 C ATOM 324 O3' G A 11 18.287 14.348 21.685 1.00 0.00 O ATOM 325 C2' G A 11 17.533 16.231 20.262 1.00 0.00 C ATOM 326 O2' G A 11 16.495 16.444 21.201 1.00 0.00 O ATOM 327 C1' G A 11 18.242 17.555 19.942 1.00 0.00 C ATOM 328 N9 G A 11 18.737 17.522 18.545 1.00 0.00 N ATOM 329 C8 G A 11 19.995 17.295 18.035 1.00 0.00 C ATOM 330 N7 G A 11 20.070 17.371 16.737 1.00 0.00 N ATOM 331 C5 G A 11 18.763 17.629 16.349 1.00 0.00 C ATOM 332 C6 G A 11 18.205 17.793 15.040 1.00 0.00 C ATOM 333 O6 G A 11 18.804 17.802 13.972 1.00 0.00 O ATOM 334 N1 G A 11 16.810 17.951 15.065 1.00 0.00 N ATOM 335 C2 G A 11 16.040 17.945 16.224 1.00 0.00 C ATOM 336 N2 G A 11 14.717 18.105 16.102 1.00 0.00 N ATOM 337 N3 G A 11 16.575 17.808 17.453 1.00 0.00 N ATOM 338 C4 G A 11 17.934 17.658 17.445 1.00 0.00 C ATOM 0 H5' G A 11 21.195 16.986 22.729 1.00 0.00 H new ATOM 0 H5'' G A 11 20.773 15.285 22.722 1.00 0.00 H new ATOM 0 H4' G A 11 18.829 16.702 22.629 1.00 0.00 H new ATOM 0 H3' G A 11 19.315 14.945 20.129 1.00 0.00 H new ATOM 0 H2' G A 11 17.052 15.741 19.415 1.00 0.00 H new ATOM 0 HO2' G A 11 15.773 16.955 20.780 1.00 0.00 H new ATOM 0 H1' G A 11 17.565 18.405 20.030 1.00 0.00 H new ATOM 0 H8 G A 11 20.848 17.073 18.659 1.00 0.00 H new ATOM 0 H1 G A 11 16.329 18.079 14.175 1.00 0.00 H new ATOM 0 H21 G A 11 14.125 18.105 16.932 1.00 0.00 H new ATOM 0 H22 G A 11 14.301 18.227 15.179 1.00 0.00 H new ATOM 350 P C A 12 17.965 12.889 21.069 1.00 0.00 P ATOM 351 OP1 C A 12 17.511 12.013 22.172 1.00 0.00 O ATOM 352 OP2 C A 12 19.116 12.477 20.234 1.00 0.00 O ATOM 353 O5' C A 12 16.715 13.166 20.089 1.00 0.00 O ATOM 354 C5' C A 12 15.396 13.368 20.566 1.00 0.00 C ATOM 355 C4' C A 12 14.455 13.646 19.389 1.00 0.00 C ATOM 356 O4' C A 12 14.821 14.801 18.650 1.00 0.00 O ATOM 357 C3' C A 12 14.449 12.513 18.364 1.00 0.00 C ATOM 358 O3' C A 12 13.758 11.366 18.836 1.00 0.00 O ATOM 359 C2' C A 12 13.781 13.229 17.194 1.00 0.00 C ATOM 360 O2' C A 12 12.379 13.312 17.383 1.00 0.00 O ATOM 361 C1' C A 12 14.446 14.615 17.288 1.00 0.00 C ATOM 362 N1 C A 12 15.615 14.685 16.350 1.00 0.00 N ATOM 363 C2 C A 12 15.353 14.985 15.002 1.00 0.00 C ATOM 364 O2 C A 12 14.213 15.237 14.621 1.00 0.00 O ATOM 365 N3 C A 12 16.397 14.996 14.117 1.00 0.00 N ATOM 366 C4 C A 12 17.656 14.717 14.502 1.00 0.00 C ATOM 367 N4 C A 12 18.633 14.770 13.588 1.00 0.00 N ATOM 368 C5 C A 12 17.952 14.397 15.877 1.00 0.00 C ATOM 369 C6 C A 12 16.909 14.390 16.749 1.00 0.00 C ATOM 0 H5' C A 12 15.376 14.204 21.265 1.00 0.00 H new ATOM 0 H5'' C A 12 15.059 12.488 21.113 1.00 0.00 H new ATOM 0 H4' C A 12 13.482 13.768 19.864 1.00 0.00 H new ATOM 0 H3' C A 12 15.421 12.088 18.114 1.00 0.00 H new ATOM 0 H2' C A 12 13.901 12.738 16.228 1.00 0.00 H new ATOM 0 HO2' C A 12 12.084 12.584 17.968 1.00 0.00 H new ATOM 0 H1' C A 12 13.770 15.416 16.989 1.00 0.00 H new ATOM 0 H41 C A 12 19.595 14.562 13.857 1.00 0.00 H new ATOM 0 H42 C A 12 18.415 15.018 12.623 1.00 0.00 H new ATOM 0 H5 C A 12 18.958 14.173 16.200 1.00 0.00 H new ATOM 0 H6 C A 12 17.095 14.147 17.785 1.00 0.00 H new ATOM 381 P A A 13 13.969 9.906 18.174 1.00 0.00 P ATOM 382 OP1 A A 13 13.116 8.945 18.908 1.00 0.00 O ATOM 383 OP2 A A 13 15.424 9.654 18.064 1.00 0.00 O ATOM 384 O5' A A 13 13.376 10.080 16.680 1.00 0.00 O ATOM 385 C5' A A 13 11.985 10.033 16.422 1.00 0.00 C ATOM 386 C4' A A 13 11.686 10.324 14.948 1.00 0.00 C ATOM 387 O4' A A 13 12.144 11.602 14.537 1.00 0.00 O ATOM 388 C3' A A 13 12.316 9.339 13.961 1.00 0.00 C ATOM 389 O3' A A 13 11.684 8.076 13.953 1.00 0.00 O ATOM 390 C2' A A 13 12.122 10.124 12.665 1.00 0.00 C ATOM 391 O2' A A 13 10.775 10.065 12.230 1.00 0.00 O ATOM 392 C1' A A 13 12.470 11.542 13.153 1.00 0.00 C ATOM 393 N9 A A 13 13.917 11.788 12.929 1.00 0.00 N ATOM 394 C8 A A 13 14.980 11.672 13.795 1.00 0.00 C ATOM 395 N7 A A 13 16.144 11.898 13.254 1.00 0.00 N ATOM 396 C5 A A 13 15.845 12.142 11.920 1.00 0.00 C ATOM 397 C6 A A 13 16.642 12.408 10.776 1.00 0.00 C ATOM 398 N6 A A 13 17.971 12.554 10.840 1.00 0.00 N ATOM 399 N1 A A 13 16.033 12.520 9.567 1.00 0.00 N ATOM 400 C2 A A 13 14.702 12.386 9.497 1.00 0.00 C ATOM 401 N3 A A 13 13.847 12.154 10.500 1.00 0.00 N ATOM 402 C4 A A 13 14.488 12.043 11.705 1.00 0.00 C ATOM 0 H5' A A 13 11.471 10.760 17.051 1.00 0.00 H new ATOM 0 H5'' A A 13 11.596 9.050 16.688 1.00 0.00 H new ATOM 0 H4' A A 13 10.599 10.245 14.916 1.00 0.00 H new ATOM 0 H3' A A 13 13.348 9.064 14.180 1.00 0.00 H new ATOM 0 H2' A A 13 12.710 9.764 11.821 1.00 0.00 H new ATOM 0 HO2' A A 13 10.351 9.256 12.586 1.00 0.00 H new ATOM 0 HO3' A A 13 12.128 7.492 13.303 1.00 0.00 H new ATOM 0 H1' A A 13 11.913 12.307 12.612 1.00 0.00 H new ATOM 0 H8 A A 13 14.860 11.415 14.837 1.00 0.00 H new ATOM 0 H61 A A 13 18.505 12.744 9.992 1.00 0.00 H new ATOM 0 H62 A A 13 18.450 12.475 11.737 1.00 0.00 H new ATOM 0 H2 A A 13 14.267 12.476 8.513 1.00 0.00 H new TER 415 A A 13 END