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 22-DEC-00 1HS2 TITLE SOLUTION STRUCTURE OF RNA HAIRPIN LOOP UUAAGU AS PART OF TITLE 2 HAIRPIN R(GCGUUAAGUCGCA) COMPND MOL_ID: 1; COMPND 2 MOLECULE: 5'-R(*GP*CP*GP*UP*UP*AP*AP*GP*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, 30S RIBOSOME EXPDTA SOLUTION NMR AUTHOR H.ZHANG,M.A.FOUNTAIN,T.R.KRUGH REVDAT 2 24-FEB-09 1HS2 1 VERSN REVDAT 1 29-AUG-01 1HS2 0 JRNL AUTH H.ZHANG,M.A.FOUNTAIN,T.R.KRUGH JRNL TITL STRUCTURAL CHARACTERIZATION OF A SIX-NUCLEOTIDE JRNL TITL 2 RNA HAIRPIN LOOP FOUND IN ESCHERICHIA COLI, JRNL TITL 3 R(UUAAGU). JRNL REF BIOCHEMISTRY V. 40 9879 2001 JRNL REFN ISSN 0006-2960 JRNL PMID 11502181 JRNL DOI 10.1021/BI011226X 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 1HS2 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 RCSB012553. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303 REMARK 210 PH : 7.0 REMARK 210 IONIC STRENGTH : 0.1 M NACL, 0.01 M SODIUM REMARK 210 PHOSPHATE REMARK 210 PRESSURE : 1.0 ATM REMARK 210 SAMPLE CONTENTS : 1 MM RNA OLIGOMER - H2O; 3 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. = 4.7 DEGREES REMARK 500 U A 9 O4' - C1' - N1 ANGL. DEV. = 4.6 DEGREES REMARK 500 C A 12 O4' - C1' - N1 ANGL. DEV. = 4.8 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 A A 6 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: 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) REMARK 900 RELATED ID: 1HS8 RELATED DB: PDB REMARK 900 RNA HAIRPIN LOOP UCAAUU AS PART OF HAIRPIN R(GCGUCAAUUCGCA) DBREF 1HS2 A 1 13 PDB 1HS2 1HS2 1 13 SEQRES 1 A 13 G C G U U A A G 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 180:sc= -0.0658 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 C O2' : rot -13:sc= 0.0716 USER MOD Single : A 3 G O2' : rot -20:sc= 0.0631 USER MOD Single : A 4 U O2' : rot 180:sc=-0.00748 USER MOD Single : A 5 U O2' : rot -96:sc= 0.383 USER MOD Single : A 6 A O2' : rot -21:sc= 0.0661 USER MOD Single : A 7 A O2' : rot -19:sc= 0.0648 USER MOD Single : A 8 G O2' : rot -21:sc= 0.191 USER MOD Single : A 9 U O2' : rot -125:sc= 0.321 USER MOD Single : A 10 C O2' : rot 180:sc=-0.00173 USER MOD Single : A 11 G O2' : rot 180:sc= 0 USER MOD Single : A 12 C O2' : rot -18:sc= 0.0311 USER MOD Single : A 13 A O2' : rot -17:sc= 0.0698 USER MOD Single : A 13 A O3' : rot 180:sc= 0.0919 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 13.371 15.337 2.193 1.00 0.00 O ATOM 2 C5' G A 1 13.362 16.433 3.084 1.00 0.00 C ATOM 3 C4' G A 1 12.527 16.108 4.331 1.00 0.00 C ATOM 4 O4' G A 1 13.084 15.023 5.056 1.00 0.00 O ATOM 5 C3' G A 1 12.490 17.271 5.325 1.00 0.00 C ATOM 6 O3' G A 1 11.580 18.295 4.943 1.00 0.00 O ATOM 7 C2' G A 1 12.081 16.532 6.599 1.00 0.00 C ATOM 8 O2' G A 1 10.694 16.258 6.626 1.00 0.00 O ATOM 9 C1' G A 1 12.852 15.214 6.447 1.00 0.00 C ATOM 10 N9 G A 1 14.133 15.289 7.196 1.00 0.00 N ATOM 11 C8 G A 1 15.410 15.497 6.733 1.00 0.00 C ATOM 12 N7 G A 1 16.323 15.509 7.663 1.00 0.00 N ATOM 13 C5 G A 1 15.607 15.303 8.837 1.00 0.00 C ATOM 14 C6 G A 1 16.062 15.203 10.195 1.00 0.00 C ATOM 15 O6 G A 1 17.216 15.272 10.607 1.00 0.00 O ATOM 16 N1 G A 1 15.017 15.000 11.107 1.00 0.00 N ATOM 17 C2 G A 1 13.675 14.911 10.749 1.00 0.00 C ATOM 18 N2 G A 1 12.793 14.709 11.736 1.00 0.00 N ATOM 19 N3 G A 1 13.252 14.999 9.469 1.00 0.00 N ATOM 20 C4 G A 1 14.260 15.190 8.562 1.00 0.00 C ATOM 0 H5' G A 1 12.953 17.311 2.585 1.00 0.00 H new ATOM 0 H5'' G A 1 14.383 16.679 3.377 1.00 0.00 H new ATOM 0 H4' G A 1 11.531 15.882 3.951 1.00 0.00 H new ATOM 0 H3' G A 1 13.425 17.825 5.415 1.00 0.00 H new ATOM 0 H2' G A 1 12.291 17.098 7.507 1.00 0.00 H new ATOM 0 HO2' G A 1 10.470 15.784 7.454 1.00 0.00 H new ATOM 0 HO5' G A 1 13.906 15.562 1.403 1.00 0.00 H new ATOM 0 H1' G A 1 12.286 14.375 6.852 1.00 0.00 H new ATOM 0 H8 G A 1 15.638 15.639 5.687 1.00 0.00 H new ATOM 0 H1 G A 1 15.255 14.912 12.095 1.00 0.00 H new ATOM 0 H21 G A 1 11.798 14.637 11.524 1.00 0.00 H new ATOM 0 H22 G A 1 13.116 14.627 12.700 1.00 0.00 H new ATOM 33 P C A 2 11.609 19.773 5.610 1.00 0.00 P ATOM 34 OP1 C A 2 10.498 20.558 5.026 1.00 0.00 O ATOM 35 OP2 C A 2 12.993 20.289 5.512 1.00 0.00 O ATOM 36 O5' C A 2 11.288 19.524 7.177 1.00 0.00 O ATOM 37 C5' C A 2 9.980 19.280 7.671 1.00 0.00 C ATOM 38 C4' C A 2 10.026 19.078 9.194 1.00 0.00 C ATOM 39 O4' C A 2 10.890 18.018 9.576 1.00 0.00 O ATOM 40 C3' C A 2 10.546 20.305 9.943 1.00 0.00 C ATOM 41 O3' C A 2 9.567 21.334 10.008 1.00 0.00 O ATOM 42 C2' C A 2 10.895 19.675 11.293 1.00 0.00 C ATOM 43 O2' C A 2 9.745 19.558 12.111 1.00 0.00 O ATOM 44 C1' C A 2 11.405 18.282 10.879 1.00 0.00 C ATOM 45 N1 C A 2 12.904 18.244 10.922 1.00 0.00 N ATOM 46 C2 C A 2 13.530 17.967 12.153 1.00 0.00 C ATOM 47 O2 C A 2 12.870 17.719 13.162 1.00 0.00 O ATOM 48 N3 C A 2 14.899 17.981 12.212 1.00 0.00 N ATOM 49 C4 C A 2 15.647 18.271 11.128 1.00 0.00 C ATOM 50 N4 C A 2 16.981 18.286 11.246 1.00 0.00 N ATOM 51 C5 C A 2 15.029 18.584 9.861 1.00 0.00 C ATOM 52 C6 C A 2 13.671 18.561 9.813 1.00 0.00 C ATOM 0 H5' C A 2 9.559 18.397 7.191 1.00 0.00 H new ATOM 0 H5'' C A 2 9.327 20.118 7.426 1.00 0.00 H new ATOM 0 H4' C A 2 8.989 18.866 9.456 1.00 0.00 H new ATOM 0 H3' C A 2 11.388 20.821 9.482 1.00 0.00 H new ATOM 0 H2' C A 2 11.612 20.257 11.873 1.00 0.00 H new ATOM 0 HO2' C A 2 9.014 20.083 11.724 1.00 0.00 H new ATOM 0 H1' C A 2 11.063 17.508 11.566 1.00 0.00 H new ATOM 0 H41 C A 2 17.562 18.503 10.436 1.00 0.00 H new ATOM 0 H42 C A 2 17.416 18.080 12.145 1.00 0.00 H new ATOM 0 H5 C A 2 15.620 18.826 8.990 1.00 0.00 H new ATOM 0 H6 C A 2 13.175 18.797 8.883 1.00 0.00 H new ATOM 64 P G A 3 9.911 22.823 10.541 1.00 0.00 P ATOM 65 OP1 G A 3 8.671 23.628 10.486 1.00 0.00 O ATOM 66 OP2 G A 3 11.123 23.293 9.832 1.00 0.00 O ATOM 67 O5' G A 3 10.277 22.574 12.097 1.00 0.00 O ATOM 68 C5' G A 3 11.212 23.386 12.786 1.00 0.00 C ATOM 69 C4' G A 3 11.446 22.840 14.202 1.00 0.00 C ATOM 70 O4' G A 3 11.886 21.488 14.171 1.00 0.00 O ATOM 71 C3' G A 3 12.534 23.632 14.938 1.00 0.00 C ATOM 72 O3' G A 3 12.021 24.777 15.607 1.00 0.00 O ATOM 73 C2' G A 3 13.057 22.573 15.905 1.00 0.00 C ATOM 74 O2' G A 3 12.177 22.395 17.000 1.00 0.00 O ATOM 75 C1' G A 3 13.022 21.328 15.009 1.00 0.00 C ATOM 76 N9 G A 3 14.264 21.217 14.197 1.00 0.00 N ATOM 77 C8 G A 3 14.441 21.325 12.837 1.00 0.00 C ATOM 78 N7 G A 3 15.668 21.143 12.437 1.00 0.00 N ATOM 79 C5 G A 3 16.367 20.889 13.609 1.00 0.00 C ATOM 80 C6 G A 3 17.757 20.602 13.814 1.00 0.00 C ATOM 81 O6 G A 3 18.634 20.476 12.963 1.00 0.00 O ATOM 82 N1 G A 3 18.090 20.458 15.168 1.00 0.00 N ATOM 83 C2 G A 3 17.176 20.560 16.212 1.00 0.00 C ATOM 84 N2 G A 3 17.640 20.378 17.455 1.00 0.00 N ATOM 85 N3 G A 3 15.863 20.804 16.012 1.00 0.00 N ATOM 86 C4 G A 3 15.520 20.961 14.696 1.00 0.00 C ATOM 0 H5' G A 3 10.845 24.411 12.840 1.00 0.00 H new ATOM 0 H5'' G A 3 12.154 23.413 12.238 1.00 0.00 H new ATOM 0 H4' G A 3 10.488 22.927 14.715 1.00 0.00 H new ATOM 0 H3' G A 3 13.296 24.056 14.284 1.00 0.00 H new ATOM 0 H2' G A 3 14.027 22.812 16.341 1.00 0.00 H new ATOM 0 HO2' G A 3 11.594 23.179 17.082 1.00 0.00 H new ATOM 0 H1' G A 3 12.960 20.415 15.602 1.00 0.00 H new ATOM 0 H8 G A 3 13.630 21.543 12.157 1.00 0.00 H new ATOM 0 H1 G A 3 19.064 20.266 15.403 1.00 0.00 H new ATOM 0 H21 G A 3 17.005 20.444 18.251 1.00 0.00 H new ATOM 0 H22 G A 3 18.628 20.174 17.606 1.00 0.00 H new ATOM 98 P U A 4 12.875 26.145 15.764 1.00 0.00 P ATOM 99 OP1 U A 4 12.161 27.025 16.718 1.00 0.00 O ATOM 100 OP2 U A 4 13.185 26.643 14.406 1.00 0.00 O ATOM 101 O5' U A 4 14.266 25.676 16.444 1.00 0.00 O ATOM 102 C5' U A 4 14.380 25.350 17.820 1.00 0.00 C ATOM 103 C4' U A 4 15.827 24.947 18.146 1.00 0.00 C ATOM 104 O4' U A 4 16.229 23.790 17.430 1.00 0.00 O ATOM 105 C3' U A 4 16.864 26.013 17.784 1.00 0.00 C ATOM 106 O3' U A 4 16.879 27.098 18.700 1.00 0.00 O ATOM 107 C2' U A 4 18.138 25.170 17.799 1.00 0.00 C ATOM 108 O2' U A 4 18.599 24.934 19.117 1.00 0.00 O ATOM 109 C1' U A 4 17.633 23.853 17.188 1.00 0.00 C ATOM 110 N1 U A 4 17.984 23.781 15.735 1.00 0.00 N ATOM 111 C2 U A 4 19.314 23.464 15.415 1.00 0.00 C ATOM 112 O2 U A 4 20.175 23.262 16.269 1.00 0.00 O ATOM 113 N3 U A 4 19.632 23.399 14.058 1.00 0.00 N ATOM 114 C4 U A 4 18.761 23.676 13.005 1.00 0.00 C ATOM 115 O4 U A 4 19.154 23.604 11.843 1.00 0.00 O ATOM 116 C5 U A 4 17.412 24.038 13.420 1.00 0.00 C ATOM 117 C6 U A 4 17.070 24.077 14.736 1.00 0.00 C ATOM 0 H5' U A 4 13.702 24.533 18.066 1.00 0.00 H new ATOM 0 H5'' U A 4 14.085 26.204 18.430 1.00 0.00 H new ATOM 0 H4' U A 4 15.805 24.785 19.224 1.00 0.00 H new ATOM 0 H3' U A 4 16.687 26.526 16.839 1.00 0.00 H new ATOM 0 H2' U A 4 18.972 25.640 17.277 1.00 0.00 H new ATOM 0 HO2' U A 4 19.414 24.391 19.086 1.00 0.00 H new ATOM 0 H1' U A 4 18.111 22.987 17.646 1.00 0.00 H new ATOM 0 H3 U A 4 20.584 23.125 13.815 1.00 0.00 H new ATOM 0 H5 U A 4 16.672 24.279 12.671 1.00 0.00 H new ATOM 0 H6 U A 4 16.060 24.346 15.009 1.00 0.00 H new ATOM 128 P U A 5 17.617 28.500 18.363 1.00 0.00 P ATOM 129 OP1 U A 5 17.435 29.402 19.523 1.00 0.00 O ATOM 130 OP2 U A 5 17.169 28.943 17.023 1.00 0.00 O ATOM 131 O5' U A 5 19.185 28.116 18.252 1.00 0.00 O ATOM 132 C5' U A 5 20.018 27.936 19.388 1.00 0.00 C ATOM 133 C4' U A 5 21.476 27.728 18.949 1.00 0.00 C ATOM 134 O4' U A 5 21.665 26.552 18.182 1.00 0.00 O ATOM 135 C3' U A 5 21.990 28.851 18.048 1.00 0.00 C ATOM 136 O3' U A 5 22.195 30.051 18.779 1.00 0.00 O ATOM 137 C2' U A 5 23.254 28.202 17.485 1.00 0.00 C ATOM 138 O2' U A 5 24.344 28.318 18.382 1.00 0.00 O ATOM 139 C1' U A 5 22.817 26.727 17.357 1.00 0.00 C ATOM 140 N1 U A 5 22.536 26.371 15.929 1.00 0.00 N ATOM 141 C2 U A 5 23.599 25.884 15.148 1.00 0.00 C ATOM 142 O2 U A 5 24.741 25.743 15.576 1.00 0.00 O ATOM 143 N3 U A 5 23.300 25.554 13.826 1.00 0.00 N ATOM 144 C4 U A 5 22.053 25.683 13.215 1.00 0.00 C ATOM 145 O4 U A 5 21.895 25.322 12.051 1.00 0.00 O ATOM 146 C5 U A 5 21.025 26.261 14.068 1.00 0.00 C ATOM 147 C6 U A 5 21.287 26.576 15.365 1.00 0.00 C ATOM 0 H5' U A 5 19.678 27.076 19.965 1.00 0.00 H new ATOM 0 H5'' U A 5 19.948 28.806 20.041 1.00 0.00 H new ATOM 0 H4' U A 5 22.013 27.683 19.896 1.00 0.00 H new ATOM 0 H3' U A 5 21.312 29.186 17.263 1.00 0.00 H new ATOM 0 H2' U A 5 23.598 28.656 16.556 1.00 0.00 H new ATOM 0 HO2' U A 5 24.886 29.097 18.139 1.00 0.00 H new ATOM 0 H1' U A 5 23.614 26.060 17.685 1.00 0.00 H new ATOM 0 H3 U A 5 24.061 25.186 13.256 1.00 0.00 H new ATOM 0 H5 U A 5 20.040 26.442 13.665 1.00 0.00 H new ATOM 0 H6 U A 5 20.500 26.998 15.972 1.00 0.00 H new ATOM 158 P A A 6 22.293 31.500 18.064 1.00 0.00 P ATOM 159 OP1 A A 6 22.368 32.525 19.129 1.00 0.00 O ATOM 160 OP2 A A 6 21.228 31.588 17.038 1.00 0.00 O ATOM 161 O5' A A 6 23.720 31.461 17.315 1.00 0.00 O ATOM 162 C5' A A 6 24.117 32.486 16.418 1.00 0.00 C ATOM 163 C4' A A 6 25.563 32.266 15.954 1.00 0.00 C ATOM 164 O4' A A 6 26.471 32.340 17.040 1.00 0.00 O ATOM 165 C3' A A 6 25.805 30.900 15.308 1.00 0.00 C ATOM 166 O3' A A 6 25.327 30.854 13.969 1.00 0.00 O ATOM 167 C2' A A 6 27.328 30.818 15.421 1.00 0.00 C ATOM 168 O2' A A 6 27.965 31.560 14.396 1.00 0.00 O ATOM 169 C1' A A 6 27.583 31.492 16.779 1.00 0.00 C ATOM 170 N9 A A 6 27.750 30.489 17.865 1.00 0.00 N ATOM 171 C8 A A 6 26.915 30.187 18.917 1.00 0.00 C ATOM 172 N7 A A 6 27.413 29.341 19.776 1.00 0.00 N ATOM 173 C5 A A 6 28.670 29.045 19.261 1.00 0.00 C ATOM 174 C6 A A 6 29.746 28.230 19.711 1.00 0.00 C ATOM 175 N6 A A 6 29.719 27.551 20.867 1.00 0.00 N ATOM 176 N1 A A 6 30.862 28.141 18.943 1.00 0.00 N ATOM 177 C2 A A 6 30.916 28.830 17.796 1.00 0.00 C ATOM 178 N3 A A 6 29.986 29.645 17.281 1.00 0.00 N ATOM 179 C4 A A 6 28.870 29.715 18.072 1.00 0.00 C ATOM 0 H5' A A 6 24.029 33.457 16.905 1.00 0.00 H new ATOM 0 H5'' A A 6 23.451 32.500 15.556 1.00 0.00 H new ATOM 0 H4' A A 6 25.726 33.056 15.221 1.00 0.00 H new ATOM 0 H3' A A 6 25.284 30.062 15.771 1.00 0.00 H new ATOM 0 H2' A A 6 27.709 29.800 15.335 1.00 0.00 H new ATOM 0 HO2' A A 6 27.345 31.683 13.647 1.00 0.00 H new ATOM 0 H1' A A 6 28.510 32.065 16.746 1.00 0.00 H new ATOM 0 H8 A A 6 25.929 30.615 19.022 1.00 0.00 H new ATOM 0 H61 A A 6 30.519 26.981 21.142 1.00 0.00 H new ATOM 0 H62 A A 6 28.899 27.605 21.471 1.00 0.00 H new ATOM 0 H2 A A 6 31.819 28.715 17.215 1.00 0.00 H new ATOM 191 P A A 7 24.941 29.467 13.226 1.00 0.00 P ATOM 192 OP1 A A 7 24.750 29.757 11.788 1.00 0.00 O ATOM 193 OP2 A A 7 23.846 28.828 13.989 1.00 0.00 O ATOM 194 O5' A A 7 26.262 28.550 13.393 1.00 0.00 O ATOM 195 C5' A A 7 27.395 28.670 12.547 1.00 0.00 C ATOM 196 C4' A A 7 28.479 27.664 12.965 1.00 0.00 C ATOM 197 O4' A A 7 29.026 27.952 14.242 1.00 0.00 O ATOM 198 C3' A A 7 27.964 26.227 13.057 1.00 0.00 C ATOM 199 O3' A A 7 27.790 25.657 11.766 1.00 0.00 O ATOM 200 C2' A A 7 29.080 25.596 13.890 1.00 0.00 C ATOM 201 O2' A A 7 30.213 25.314 13.089 1.00 0.00 O ATOM 202 C1' A A 7 29.405 26.735 14.874 1.00 0.00 C ATOM 203 N9 A A 7 28.646 26.558 16.142 1.00 0.00 N ATOM 204 C8 A A 7 27.370 26.963 16.459 1.00 0.00 C ATOM 205 N7 A A 7 26.946 26.560 17.624 1.00 0.00 N ATOM 206 C5 A A 7 28.021 25.845 18.137 1.00 0.00 C ATOM 207 C6 A A 7 28.236 25.146 19.356 1.00 0.00 C ATOM 208 N6 A A 7 27.301 25.035 20.310 1.00 0.00 N ATOM 209 N1 A A 7 29.447 24.572 19.574 1.00 0.00 N ATOM 210 C2 A A 7 30.390 24.670 18.628 1.00 0.00 C ATOM 211 N3 A A 7 30.301 25.277 17.438 1.00 0.00 N ATOM 212 C4 A A 7 29.075 25.857 17.246 1.00 0.00 C ATOM 0 H5' A A 7 27.791 29.684 12.599 1.00 0.00 H new ATOM 0 H5'' A A 7 27.105 28.493 11.511 1.00 0.00 H new ATOM 0 H4' A A 7 29.229 27.758 12.179 1.00 0.00 H new ATOM 0 H3' A A 7 26.977 26.095 13.500 1.00 0.00 H new ATOM 0 H2' A A 7 28.801 24.651 14.357 1.00 0.00 H new ATOM 0 HO2' A A 7 29.950 25.298 12.145 1.00 0.00 H new ATOM 0 H1' A A 7 30.466 26.738 15.123 1.00 0.00 H new ATOM 0 H8 A A 7 26.768 27.566 15.796 1.00 0.00 H new ATOM 0 H61 A A 7 27.506 24.522 21.168 1.00 0.00 H new ATOM 0 H62 A A 7 26.385 25.463 20.178 1.00 0.00 H new ATOM 0 H2 A A 7 31.337 24.203 18.852 1.00 0.00 H new ATOM 224 P G A 8 26.741 24.459 11.478 1.00 0.00 P ATOM 225 OP1 G A 8 26.880 24.049 10.062 1.00 0.00 O ATOM 226 OP2 G A 8 25.415 24.868 11.990 1.00 0.00 O ATOM 227 O5' G A 8 27.286 23.260 12.410 1.00 0.00 O ATOM 228 C5' G A 8 28.492 22.567 12.142 1.00 0.00 C ATOM 229 C4' G A 8 28.202 21.065 12.006 1.00 0.00 C ATOM 230 O4' G A 8 27.339 20.882 10.896 1.00 0.00 O ATOM 231 C3' G A 8 29.443 20.200 11.742 1.00 0.00 C ATOM 232 O3' G A 8 30.113 19.711 12.903 1.00 0.00 O ATOM 233 C2' G A 8 28.819 19.026 10.979 1.00 0.00 C ATOM 234 O2' G A 8 28.284 18.061 11.871 1.00 0.00 O ATOM 235 C1' G A 8 27.660 19.682 10.217 1.00 0.00 C ATOM 236 N9 G A 8 27.998 19.967 8.798 1.00 0.00 N ATOM 237 C8 G A 8 28.435 21.135 8.216 1.00 0.00 C ATOM 238 N7 G A 8 28.517 21.088 6.915 1.00 0.00 N ATOM 239 C5 G A 8 28.121 19.793 6.599 1.00 0.00 C ATOM 240 C6 G A 8 27.982 19.150 5.322 1.00 0.00 C ATOM 241 O6 G A 8 28.167 19.636 4.208 1.00 0.00 O ATOM 242 N1 G A 8 27.578 17.809 5.424 1.00 0.00 N ATOM 243 C2 G A 8 27.322 17.164 6.632 1.00 0.00 C ATOM 244 N2 G A 8 26.957 15.875 6.571 1.00 0.00 N ATOM 245 N3 G A 8 27.429 17.782 7.830 1.00 0.00 N ATOM 246 C4 G A 8 27.831 19.089 7.750 1.00 0.00 C ATOM 0 H5' G A 8 29.208 22.738 12.946 1.00 0.00 H new ATOM 0 H5'' G A 8 28.945 22.945 11.225 1.00 0.00 H new ATOM 0 H4' G A 8 27.775 20.751 12.958 1.00 0.00 H new ATOM 0 H3' G A 8 30.221 20.769 11.233 1.00 0.00 H new ATOM 0 H2' G A 8 29.545 18.512 10.349 1.00 0.00 H new ATOM 0 HO2' G A 8 28.707 18.157 12.750 1.00 0.00 H new ATOM 0 H1' G A 8 26.813 18.996 10.193 1.00 0.00 H new ATOM 0 H8 G A 8 28.688 22.016 8.788 1.00 0.00 H new ATOM 0 H1 G A 8 27.465 17.275 4.562 1.00 0.00 H new ATOM 0 H21 G A 8 26.759 15.360 7.429 1.00 0.00 H new ATOM 0 H22 G A 8 26.877 15.410 5.667 1.00 0.00 H new ATOM 258 P U A 9 30.808 20.651 14.025 1.00 0.00 P ATOM 259 OP1 U A 9 31.437 21.810 13.351 1.00 0.00 O ATOM 260 OP2 U A 9 31.634 19.775 14.887 1.00 0.00 O ATOM 261 O5' U A 9 29.553 21.174 14.913 1.00 0.00 O ATOM 262 C5' U A 9 29.744 21.985 16.062 1.00 0.00 C ATOM 263 C4' U A 9 28.448 22.187 16.866 1.00 0.00 C ATOM 264 O4' U A 9 27.501 23.038 16.238 1.00 0.00 O ATOM 265 C3' U A 9 27.654 20.914 17.154 1.00 0.00 C ATOM 266 O3' U A 9 28.302 20.032 18.062 1.00 0.00 O ATOM 267 C2' U A 9 26.371 21.541 17.704 1.00 0.00 C ATOM 268 O2' U A 9 26.510 21.925 19.061 1.00 0.00 O ATOM 269 C1' U A 9 26.219 22.795 16.826 1.00 0.00 C ATOM 270 N1 U A 9 25.138 22.583 15.812 1.00 0.00 N ATOM 271 C2 U A 9 23.807 22.838 16.188 1.00 0.00 C ATOM 272 O2 U A 9 23.482 23.186 17.322 1.00 0.00 O ATOM 273 N3 U A 9 22.842 22.680 15.191 1.00 0.00 N ATOM 274 C4 U A 9 23.082 22.257 13.883 1.00 0.00 C ATOM 275 O4 U A 9 22.163 22.203 13.069 1.00 0.00 O ATOM 276 C5 U A 9 24.467 21.899 13.615 1.00 0.00 C ATOM 277 C6 U A 9 25.425 22.066 14.564 1.00 0.00 C ATOM 0 H5' U A 9 30.132 22.956 15.756 1.00 0.00 H new ATOM 0 H5'' U A 9 30.498 21.528 16.703 1.00 0.00 H new ATOM 0 H4' U A 9 28.854 22.617 17.781 1.00 0.00 H new ATOM 0 H3' U A 9 27.509 20.255 16.298 1.00 0.00 H new ATOM 0 H2' U A 9 25.523 20.856 17.676 1.00 0.00 H new ATOM 0 HO2' U A 9 25.798 21.512 19.592 1.00 0.00 H new ATOM 0 H1' U A 9 25.916 23.670 17.401 1.00 0.00 H new ATOM 0 H3 U A 9 21.876 22.893 15.441 1.00 0.00 H new ATOM 0 H5 U A 9 24.737 21.496 12.650 1.00 0.00 H new ATOM 0 H6 U A 9 26.443 21.786 14.335 1.00 0.00 H new ATOM 288 P C A 10 27.822 18.494 18.264 1.00 0.00 P ATOM 289 OP1 C A 10 28.707 17.868 19.271 1.00 0.00 O ATOM 290 OP2 C A 10 27.692 17.876 16.925 1.00 0.00 O ATOM 291 O5' C A 10 26.336 18.613 18.897 1.00 0.00 O ATOM 292 C5' C A 10 26.103 18.918 20.263 1.00 0.00 C ATOM 293 C4' C A 10 24.609 19.191 20.498 1.00 0.00 C ATOM 294 O4' C A 10 24.138 20.238 19.662 1.00 0.00 O ATOM 295 C3' C A 10 23.687 18.008 20.197 1.00 0.00 C ATOM 296 O3' C A 10 23.731 16.996 21.195 1.00 0.00 O ATOM 297 C2' C A 10 22.348 18.745 20.108 1.00 0.00 C ATOM 298 O2' C A 10 21.828 19.037 21.392 1.00 0.00 O ATOM 299 C1' C A 10 22.751 20.053 19.407 1.00 0.00 C ATOM 300 N1 C A 10 22.439 19.972 17.942 1.00 0.00 N ATOM 301 C2 C A 10 21.189 20.444 17.500 1.00 0.00 C ATOM 302 O2 C A 10 20.414 21.016 18.265 1.00 0.00 O ATOM 303 N3 C A 10 20.838 20.243 16.192 1.00 0.00 N ATOM 304 C4 C A 10 21.652 19.604 15.330 1.00 0.00 C ATOM 305 N4 C A 10 21.231 19.404 14.074 1.00 0.00 N ATOM 306 C5 C A 10 22.943 19.118 15.754 1.00 0.00 C ATOM 307 C6 C A 10 23.282 19.320 17.055 1.00 0.00 C ATOM 0 H5' C A 10 26.690 19.789 20.554 1.00 0.00 H new ATOM 0 H5'' C A 10 26.432 18.089 20.890 1.00 0.00 H new ATOM 0 H4' C A 10 24.566 19.433 21.560 1.00 0.00 H new ATOM 0 H3' C A 10 23.942 17.433 19.307 1.00 0.00 H new ATOM 0 H2' C A 10 21.577 18.168 19.598 1.00 0.00 H new ATOM 0 HO2' C A 10 20.974 19.508 21.300 1.00 0.00 H new ATOM 0 H1' C A 10 22.192 20.909 19.785 1.00 0.00 H new ATOM 0 H41 C A 10 21.832 18.922 13.405 1.00 0.00 H new ATOM 0 H42 C A 10 20.310 19.734 13.786 1.00 0.00 H new ATOM 0 H5 C A 10 23.610 18.616 15.069 1.00 0.00 H new ATOM 0 H6 C A 10 24.237 18.962 17.409 1.00 0.00 H new ATOM 319 P G A 11 23.148 15.503 20.943 1.00 0.00 P ATOM 320 OP1 G A 11 23.362 14.715 22.178 1.00 0.00 O ATOM 321 OP2 G A 11 23.694 15.006 19.660 1.00 0.00 O ATOM 322 O5' G A 11 21.556 15.720 20.749 1.00 0.00 O ATOM 323 C5' G A 11 20.684 15.976 21.838 1.00 0.00 C ATOM 324 C4' G A 11 19.265 16.257 21.325 1.00 0.00 C ATOM 325 O4' G A 11 19.232 17.335 20.402 1.00 0.00 O ATOM 326 C3' G A 11 18.631 15.081 20.578 1.00 0.00 C ATOM 327 O3' G A 11 18.211 14.038 21.448 1.00 0.00 O ATOM 328 C2' G A 11 17.483 15.809 19.877 1.00 0.00 C ATOM 329 O2' G A 11 16.401 16.061 20.754 1.00 0.00 O ATOM 330 C1' G A 11 18.157 17.134 19.490 1.00 0.00 C ATOM 331 N9 G A 11 18.631 17.078 18.081 1.00 0.00 N ATOM 332 C8 G A 11 19.889 16.841 17.577 1.00 0.00 C ATOM 333 N7 G A 11 19.966 16.891 16.276 1.00 0.00 N ATOM 334 C5 G A 11 18.664 17.157 15.873 1.00 0.00 C ATOM 335 C6 G A 11 18.113 17.321 14.558 1.00 0.00 C ATOM 336 O6 G A 11 18.711 17.301 13.485 1.00 0.00 O ATOM 337 N1 G A 11 16.726 17.525 14.567 1.00 0.00 N ATOM 338 C2 G A 11 15.953 17.568 15.724 1.00 0.00 C ATOM 339 N2 G A 11 14.640 17.786 15.577 1.00 0.00 N ATOM 340 N3 G A 11 16.477 17.425 16.961 1.00 0.00 N ATOM 341 C4 G A 11 17.831 17.226 16.972 1.00 0.00 C ATOM 0 H5' G A 11 21.047 16.829 22.411 1.00 0.00 H new ATOM 0 H5'' G A 11 20.672 15.120 22.513 1.00 0.00 H new ATOM 0 H4' G A 11 18.712 16.475 22.238 1.00 0.00 H new ATOM 0 H3' G A 11 19.296 14.543 19.902 1.00 0.00 H new ATOM 0 H2' G A 11 17.057 15.243 19.049 1.00 0.00 H new ATOM 0 HO2' G A 11 15.689 16.528 20.269 1.00 0.00 H new ATOM 0 H1' G A 11 17.459 17.969 19.550 1.00 0.00 H new ATOM 0 H8 G A 11 20.741 16.631 18.206 1.00 0.00 H new ATOM 0 H1 G A 11 16.254 17.650 13.671 1.00 0.00 H new ATOM 0 H21 G A 11 14.035 17.826 16.397 1.00 0.00 H new ATOM 0 H22 G A 11 14.245 17.912 14.645 1.00 0.00 H new ATOM 353 P C A 12 17.881 12.543 20.914 1.00 0.00 P ATOM 354 OP1 C A 12 17.454 11.728 22.075 1.00 0.00 O ATOM 355 OP2 C A 12 19.022 12.089 20.088 1.00 0.00 O ATOM 356 O5' C A 12 16.608 12.738 19.935 1.00 0.00 O ATOM 357 C5' C A 12 15.291 12.932 20.423 1.00 0.00 C ATOM 358 C4' C A 12 14.326 13.215 19.263 1.00 0.00 C ATOM 359 O4' C A 12 14.708 14.357 18.509 1.00 0.00 O ATOM 360 C3' C A 12 14.231 12.089 18.231 1.00 0.00 C ATOM 361 O3' C A 12 13.504 10.960 18.699 1.00 0.00 O ATOM 362 C2' C A 12 13.544 12.844 17.092 1.00 0.00 C ATOM 363 O2' C A 12 12.156 13.007 17.325 1.00 0.00 O ATOM 364 C1' C A 12 14.255 14.206 17.165 1.00 0.00 C ATOM 365 N1 C A 12 15.365 14.251 16.156 1.00 0.00 N ATOM 366 C2 C A 12 15.032 14.566 14.825 1.00 0.00 C ATOM 367 O2 C A 12 13.880 14.860 14.509 1.00 0.00 O ATOM 368 N3 C A 12 16.020 14.537 13.877 1.00 0.00 N ATOM 369 C4 C A 12 17.287 14.201 14.188 1.00 0.00 C ATOM 370 N4 C A 12 18.206 14.180 13.214 1.00 0.00 N ATOM 371 C5 C A 12 17.651 13.852 15.541 1.00 0.00 C ATOM 372 C6 C A 12 16.663 13.887 16.475 1.00 0.00 C ATOM 0 H5' C A 12 15.276 13.764 21.128 1.00 0.00 H new ATOM 0 H5'' C A 12 14.964 12.046 20.968 1.00 0.00 H new ATOM 0 H4' C A 12 13.373 13.348 19.776 1.00 0.00 H new ATOM 0 H3' C A 12 15.180 11.629 17.958 1.00 0.00 H new ATOM 0 H2' C A 12 13.613 12.335 16.131 1.00 0.00 H new ATOM 0 HO2' C A 12 11.862 12.368 18.008 1.00 0.00 H new ATOM 0 H1' C A 12 13.595 15.038 16.918 1.00 0.00 H new ATOM 0 H41 C A 12 19.171 13.928 13.429 1.00 0.00 H new ATOM 0 H42 C A 12 17.941 14.416 12.258 1.00 0.00 H new ATOM 0 H5 C A 12 18.662 13.576 15.800 1.00 0.00 H new ATOM 0 H6 C A 12 16.897 13.623 17.496 1.00 0.00 H new ATOM 384 P A A 13 13.617 9.505 17.991 1.00 0.00 P ATOM 385 OP1 A A 13 12.729 8.574 18.722 1.00 0.00 O ATOM 386 OP2 A A 13 15.053 9.176 17.847 1.00 0.00 O ATOM 387 O5' A A 13 13.011 9.727 16.505 1.00 0.00 O ATOM 388 C5' A A 13 11.618 9.831 16.259 1.00 0.00 C ATOM 389 C4' A A 13 11.353 10.100 14.770 1.00 0.00 C ATOM 390 O4' A A 13 11.975 11.293 14.318 1.00 0.00 O ATOM 391 C3' A A 13 11.866 9.004 13.833 1.00 0.00 C ATOM 392 O3' A A 13 11.049 7.849 13.828 1.00 0.00 O ATOM 393 C2' A A 13 11.852 9.752 12.501 1.00 0.00 C ATOM 394 O2' A A 13 10.541 9.813 11.966 1.00 0.00 O ATOM 395 C1' A A 13 12.306 11.156 12.939 1.00 0.00 C ATOM 396 N9 A A 13 13.770 11.324 12.721 1.00 0.00 N ATOM 397 C8 A A 13 14.812 11.222 13.614 1.00 0.00 C ATOM 398 N7 A A 13 15.992 11.419 13.094 1.00 0.00 N ATOM 399 C5 A A 13 15.729 11.651 11.749 1.00 0.00 C ATOM 400 C6 A A 13 16.554 11.913 10.621 1.00 0.00 C ATOM 401 N6 A A 13 17.886 12.042 10.700 1.00 0.00 N ATOM 402 N1 A A 13 15.971 12.038 9.402 1.00 0.00 N ATOM 403 C2 A A 13 14.641 11.923 9.304 1.00 0.00 C ATOM 404 N3 A A 13 13.760 11.697 10.287 1.00 0.00 N ATOM 405 C4 A A 13 14.372 11.569 11.507 1.00 0.00 C ATOM 0 H5' A A 13 11.196 10.636 16.861 1.00 0.00 H new ATOM 0 H5'' A A 13 11.119 8.911 16.563 1.00 0.00 H new ATOM 0 H4' A A 13 10.265 10.158 14.726 1.00 0.00 H new ATOM 0 H3' A A 13 12.837 8.594 14.110 1.00 0.00 H new ATOM 0 H2' A A 13 12.467 9.290 11.729 1.00 0.00 H new ATOM 0 HO2' A A 13 9.975 9.148 12.411 1.00 0.00 H new ATOM 0 HO3' A A 13 11.424 7.186 13.212 1.00 0.00 H new ATOM 0 H1' A A 13 11.807 11.926 12.351 1.00 0.00 H new ATOM 0 H8 A A 13 14.665 10.997 14.660 1.00 0.00 H new ATOM 0 H61 A A 13 18.431 12.230 9.859 1.00 0.00 H new ATOM 0 H62 A A 13 18.354 11.952 11.602 1.00 0.00 H new ATOM 0 H2 A A 13 14.228 12.025 8.311 1.00 0.00 H new TER 418 A A 13 END