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 20-FEB-01 1I4B TITLE THE SOLUTION STRUCTURE OF THE MAJOR FAMILY OF THE MUTANT TITLE 2 STEM LOOP C 5'UUA3' TRILOOP OF BROME MOSAIC VIRUS (+) TITLE 3 STRAND RNA CAVEAT 1I4B INCORRECT CARBON CHIRAL CENTER(S) COMPND MOL_ID: 1; COMPND 2 MOLECULE: 5'-R(*GP*GP*UP*GP*CP*UP*UP*AP*GP*CP*AP*CP*C)-3'; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 OTHER_DETAILS: THE MAJOR STRUCTURAL FAMILY OF 5'UUA3' COMPND 6 MUTANT TRILOOP SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: THIS SEQUENCE IS A MUTANT TRILOOP OF WHICH SOURCE 4 WILD TYPE SEQUENCE IS NATURALLY OCCURED IN BMV (+) STRAND SOURCE 5 RNA KEYWDS RNA, TRILOOP, STEM-LOOP, MUTANT, REPLICATION, BMV, NMR EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR I.TINOCO JR.,C.-H.KIM REVDAT 4 24-FEB-09 1I4B 1 VERSN REVDAT 3 25-APR-06 1I4B 3 ATOM JRNL REMARK REVDAT 2 01-APR-03 1I4B 1 JRNL REVDAT 1 21-APR-01 1I4B 0 JRNL AUTH C.-H.KIM,I.TINOCO JR. JRNL TITL STRUCTURAL AND THERMODYNAMIC STUDIES ON MUTANT RNA JRNL TITL 2 MOTIFS THAT IMPAIR THE SPECIFICITY BETWEEN A VIRAL JRNL TITL 3 REPLICASE AND ITS PROMOTER JRNL REF J.MOL.BIOL. V. 307 827 2001 JRNL REFN ISSN 0022-2836 JRNL PMID 11273704 JRNL DOI 10.1006/JMBI.2001.4497 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH C.C.KAO REMARK 1 TITL RNA MOTIFS THAT DETERMINE SPECIFICITY BETWEEN A REMARK 1 TITL 2 VIRAL REPLICASE AND ITS PROMOTER REMARK 1 REF NAT.STRUCT.BIOL. V. 7 415 2000 REMARK 1 REFN ISSN 1072-8368 REMARK 1 DOI 10.1038/75202 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUGER, A. REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1I4B COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 22-FEB-01. REMARK 100 THE RCSB ID CODE IS RCSB012886. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 283 REMARK 210 PH : 6.5 REMARK 210 IONIC STRENGTH : 5MM NACL REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 2MM 5'UUA3' TRILOOP, REMARK 210 UNLABELED, 5MM SODIUM REMARK 210 PHOSPHATE BUFFER, PH 6.5 REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY, DQF-COSY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ, 600 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE, AMX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : FELIX 95, X-PLOR 3.1 REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL 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 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1ESH RELATED DB: PDB REMARK 900 THE SOLUTION STRUCTURE OF THE STEM LOOP C 5'AUA3' TRILOOP REMARK 900 OF BROME MOSAIC VIRUS (+) STRAND RNA REMARK 900 RELATED ID: 1I46 RELATED DB: PDB REMARK 900 THE SOLUTION STRUCTURE OF THE MUTANT STEM LOOP C 5'GUA3' REMARK 900 TRILOOP OF BROME MOSAIC VIRUS (+) STRAND RNA DBREF 1I4B A 1 13 PDB 1I4B 1I4B 1 13 SEQRES 1 A 13 G G U G C U U A G C A C C 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 9:sc= -1.15 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 G O2' : rot -126:sc= 0.428 USER MOD Single : A 3 U O2' : rot -19:sc= 0.324 USER MOD Single : A 4 G O2' : rot -2:sc= 0.22 USER MOD Single : A 5 C O2' : rot -67:sc= -5.54! USER MOD Single : A 6 U O2' : rot 32:sc= 0.304 USER MOD Single : A 7 U O2' : rot 180:sc= -3.65! USER MOD Single : A 8 A O2' : rot 115:sc= -0.473! USER MOD Single : A 9 G O2' : rot 112:sc= -3.02! USER MOD Single : A 10 C O2' : rot -21:sc= -2.9! USER MOD Single : A 11 A O2' : rot -159:sc= -0.689 USER MOD Single : A 12 C O2' : rot -20:sc= 0.442 USER MOD Single : A 13 C O2' : rot -14:sc= 0.285 USER MOD Single : A 13 C O3' : rot 180:sc= 0.269 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -8.367 -10.035 -0.161 1.00 2.22 O ATOM 2 C5' G A 1 -8.314 -11.018 0.877 1.00 2.25 C ATOM 3 C4' G A 1 -6.889 -11.225 1.380 1.00 2.07 C ATOM 4 O4' G A 1 -6.077 -11.700 0.311 1.00 2.02 O ATOM 5 C3' G A 1 -6.181 -9.963 1.831 1.00 1.88 C ATOM 6 O3' G A 1 -6.413 -9.823 3.235 1.00 1.70 O ATOM 7 C2' G A 1 -4.704 -10.298 1.658 1.00 1.88 C ATOM 8 O2' G A 1 -4.181 -10.877 2.856 1.00 2.05 O ATOM 9 C1' G A 1 -4.708 -11.329 0.524 1.00 1.89 C ATOM 10 N9 G A 1 -4.170 -10.768 -0.728 1.00 1.76 N ATOM 11 C8 G A 1 -4.832 -10.487 -1.894 1.00 1.82 C ATOM 12 N7 G A 1 -4.069 -9.980 -2.821 1.00 1.69 N ATOM 13 C5 G A 1 -2.813 -9.920 -2.227 1.00 1.53 C ATOM 14 C6 G A 1 -1.576 -9.455 -2.752 1.00 1.38 C ATOM 15 O6 G A 1 -1.347 -8.994 -3.868 1.00 1.37 O ATOM 16 N1 G A 1 -0.552 -9.568 -1.824 1.00 1.30 N ATOM 17 C2 G A 1 -0.694 -10.066 -0.549 1.00 1.33 C ATOM 18 N2 G A 1 0.400 -10.103 0.211 1.00 1.26 N ATOM 19 N3 G A 1 -1.850 -10.506 -0.047 1.00 1.46 N ATOM 20 C4 G A 1 -2.863 -10.402 -0.942 1.00 1.56 C ATOM 0 H5' G A 1 -8.710 -11.963 0.505 1.00 2.25 H new ATOM 0 H5'' G A 1 -8.952 -10.709 1.705 1.00 2.25 H new ATOM 0 H4' G A 1 -7.000 -11.908 2.222 1.00 2.07 H new ATOM 0 H3' G A 1 -6.499 -9.068 1.296 1.00 1.88 H new ATOM 0 H2' G A 1 -4.088 -9.425 1.443 1.00 1.88 H new ATOM 0 HO2' G A 1 -4.915 -11.058 3.479 1.00 2.05 H new ATOM 0 HO5' G A 1 -9.293 -9.927 -0.463 1.00 2.22 H new ATOM 0 H1' G A 1 -4.082 -12.177 0.800 1.00 1.89 H new ATOM 0 H8 G A 1 -5.888 -10.669 -2.032 1.00 1.82 H new ATOM 0 H1 G A 1 0.377 -9.258 -2.108 1.00 1.30 H new ATOM 0 H21 G A 1 0.347 -10.463 1.164 1.00 1.26 H new ATOM 0 H22 G A 1 1.290 -9.771 -0.160 1.00 1.26 H new ATOM 33 P G A 2 -5.929 -8.499 4.014 1.00 1.58 P ATOM 34 OP1 G A 2 -6.502 -8.529 5.379 1.00 1.60 O ATOM 35 OP2 G A 2 -6.173 -7.331 3.138 1.00 1.74 O ATOM 36 O5' G A 2 -4.337 -8.717 4.132 1.00 1.38 O ATOM 37 C5' G A 2 -3.777 -9.372 5.273 1.00 1.34 C ATOM 38 C4' G A 2 -2.274 -9.126 5.388 1.00 1.21 C ATOM 39 O4' G A 2 -1.635 -9.515 4.166 1.00 1.20 O ATOM 40 C3' G A 2 -1.873 -7.672 5.566 1.00 1.11 C ATOM 41 O3' G A 2 -1.782 -7.419 6.970 1.00 1.12 O ATOM 42 C2' G A 2 -0.458 -7.644 5.017 1.00 1.03 C ATOM 43 O2' G A 2 0.469 -8.128 5.992 1.00 1.04 O ATOM 44 C1' G A 2 -0.559 -8.616 3.844 1.00 1.08 C ATOM 45 N9 G A 2 -0.876 -7.929 2.577 1.00 1.05 N ATOM 46 C8 G A 2 -2.103 -7.568 2.083 1.00 1.12 C ATOM 47 N7 G A 2 -2.046 -6.963 0.929 1.00 1.07 N ATOM 48 C5 G A 2 -0.686 -6.920 0.638 1.00 0.96 C ATOM 49 C6 G A 2 -0.011 -6.378 -0.490 1.00 0.90 C ATOM 50 O6 G A 2 -0.495 -5.822 -1.473 1.00 0.90 O ATOM 51 N1 G A 2 1.362 -6.542 -0.391 1.00 0.86 N ATOM 52 C2 G A 2 2.011 -7.150 0.660 1.00 0.87 C ATOM 53 N2 G A 2 3.341 -7.221 0.591 1.00 0.88 N ATOM 54 N3 G A 2 1.387 -7.662 1.723 1.00 0.91 N ATOM 55 C4 G A 2 0.042 -7.511 1.643 1.00 0.96 C ATOM 0 H5' G A 2 -3.966 -10.443 5.206 1.00 1.34 H new ATOM 0 H5'' G A 2 -4.274 -9.017 6.176 1.00 1.34 H new ATOM 0 H4' G A 2 -1.976 -9.696 6.268 1.00 1.21 H new ATOM 0 H3' G A 2 -2.555 -6.962 5.097 1.00 1.11 H new ATOM 0 H2' G A 2 -0.108 -6.649 4.741 1.00 1.03 H new ATOM 0 HO2' G A 2 1.178 -7.465 6.126 1.00 1.04 H new ATOM 0 H1' G A 2 0.395 -9.124 3.702 1.00 1.08 H new ATOM 0 H8 G A 2 -3.030 -7.766 2.601 1.00 1.12 H new ATOM 0 H1 G A 2 1.935 -6.185 -1.155 1.00 0.86 H new ATOM 0 H21 G A 2 3.868 -7.662 1.345 1.00 0.88 H new ATOM 0 H22 G A 2 3.831 -6.834 -0.216 1.00 0.88 H new ATOM 67 P U A 3 -1.753 -5.906 7.523 1.00 1.09 P ATOM 68 OP1 U A 3 -1.600 -5.955 8.994 1.00 1.18 O ATOM 69 OP2 U A 3 -2.891 -5.173 6.925 1.00 1.12 O ATOM 70 O5' U A 3 -0.389 -5.322 6.893 1.00 0.94 O ATOM 71 C5' U A 3 0.795 -5.232 7.691 1.00 0.93 C ATOM 72 C4' U A 3 2.043 -5.007 6.834 1.00 0.84 C ATOM 73 O4' U A 3 1.870 -5.629 5.557 1.00 0.79 O ATOM 74 C3' U A 3 2.330 -3.562 6.477 1.00 0.79 C ATOM 75 O3' U A 3 3.125 -3.008 7.528 1.00 0.86 O ATOM 76 C2' U A 3 3.225 -3.706 5.258 1.00 0.72 C ATOM 77 O2' U A 3 4.561 -4.032 5.649 1.00 0.75 O ATOM 78 C1' U A 3 2.571 -4.888 4.538 1.00 0.71 C ATOM 79 N1 U A 3 1.593 -4.443 3.518 1.00 0.67 N ATOM 80 C2 U A 3 2.038 -4.288 2.213 1.00 0.62 C ATOM 81 O2 U A 3 3.199 -4.516 1.881 1.00 0.63 O ATOM 82 N3 U A 3 1.095 -3.860 1.299 1.00 0.59 N ATOM 83 C4 U A 3 -0.231 -3.577 1.568 1.00 0.63 C ATOM 84 O4 U A 3 -0.975 -3.202 0.665 1.00 0.62 O ATOM 85 C5 U A 3 -0.618 -3.762 2.948 1.00 0.72 C ATOM 86 C6 U A 3 0.292 -4.183 3.861 1.00 0.73 C ATOM 0 H5' U A 3 0.913 -6.147 8.271 1.00 0.93 H new ATOM 0 H5'' U A 3 0.691 -4.414 8.404 1.00 0.93 H new ATOM 0 H4' U A 3 2.850 -5.408 7.447 1.00 0.84 H new ATOM 0 H3' U A 3 1.442 -2.949 6.321 1.00 0.79 H new ATOM 0 H2' U A 3 3.307 -2.803 4.654 1.00 0.72 H new ATOM 0 HO2' U A 3 4.692 -3.798 6.592 1.00 0.75 H new ATOM 0 H1' U A 3 3.329 -5.477 4.023 1.00 0.71 H new ATOM 0 H3 U A 3 1.406 -3.742 0.335 1.00 0.59 H new ATOM 0 H5 U A 3 -1.635 -3.564 3.253 1.00 0.72 H new ATOM 0 H6 U A 3 -0.017 -4.317 4.887 1.00 0.73 H new ATOM 97 P G A 4 2.902 -1.483 7.997 1.00 0.93 P ATOM 98 OP1 G A 4 3.771 -1.226 9.167 1.00 1.06 O ATOM 99 OP2 G A 4 1.446 -1.236 8.092 1.00 0.94 O ATOM 100 O5' G A 4 3.476 -0.643 6.748 1.00 0.85 O ATOM 101 C5' G A 4 4.860 -0.288 6.695 1.00 0.88 C ATOM 102 C4' G A 4 5.222 0.393 5.379 1.00 0.79 C ATOM 103 O4' G A 4 4.789 -0.413 4.285 1.00 0.70 O ATOM 104 C3' G A 4 4.537 1.721 5.129 1.00 0.76 C ATOM 105 O3' G A 4 5.365 2.739 5.695 1.00 0.89 O ATOM 106 C2' G A 4 4.619 1.863 3.616 1.00 0.67 C ATOM 107 O2' G A 4 5.882 2.413 3.229 1.00 0.76 O ATOM 108 C1' G A 4 4.501 0.411 3.142 1.00 0.64 C ATOM 109 N9 G A 4 3.149 0.095 2.646 1.00 0.57 N ATOM 110 C8 G A 4 2.091 -0.455 3.324 1.00 0.57 C ATOM 111 N7 G A 4 1.022 -0.605 2.593 1.00 0.53 N ATOM 112 C5 G A 4 1.397 -0.119 1.345 1.00 0.48 C ATOM 113 C6 G A 4 0.648 -0.023 0.139 1.00 0.45 C ATOM 114 O6 G A 4 -0.518 -0.354 -0.062 1.00 0.45 O ATOM 115 N1 G A 4 1.399 0.526 -0.887 1.00 0.46 N ATOM 116 C2 G A 4 2.709 0.935 -0.776 1.00 0.51 C ATOM 117 N2 G A 4 3.280 1.445 -1.868 1.00 0.55 N ATOM 118 N3 G A 4 3.422 0.849 0.350 1.00 0.54 N ATOM 119 C4 G A 4 2.701 0.313 1.366 1.00 0.52 C ATOM 0 H5' G A 4 5.469 -1.183 6.820 1.00 0.88 H new ATOM 0 H5'' G A 4 5.096 0.378 7.525 1.00 0.88 H new ATOM 0 H4' G A 4 6.299 0.540 5.454 1.00 0.79 H new ATOM 0 H3' G A 4 3.526 1.787 5.532 1.00 0.76 H new ATOM 0 H2' G A 4 3.861 2.525 3.198 1.00 0.67 H new ATOM 0 HO2' G A 4 6.409 2.617 4.030 1.00 0.76 H new ATOM 0 H1' G A 4 5.190 0.238 2.315 1.00 0.64 H new ATOM 0 H8 G A 4 2.139 -0.737 4.365 1.00 0.57 H new ATOM 0 H1 G A 4 0.947 0.636 -1.795 1.00 0.46 H new ATOM 0 H21 G A 4 4.249 1.762 -1.836 1.00 0.55 H new ATOM 0 H22 G A 4 2.748 1.518 -2.735 1.00 0.55 H new ATOM 131 P C A 5 4.708 3.967 6.504 1.00 0.92 P ATOM 132 OP1 C A 5 5.800 4.746 7.129 1.00 1.12 O ATOM 133 OP2 C A 5 3.609 3.435 7.340 1.00 1.02 O ATOM 134 O5' C A 5 4.062 4.858 5.327 1.00 0.68 O ATOM 135 C5' C A 5 4.865 5.327 4.238 1.00 0.63 C ATOM 136 C4' C A 5 4.082 5.332 2.928 1.00 0.48 C ATOM 137 O4' C A 5 3.346 4.120 2.828 1.00 0.42 O ATOM 138 C3' C A 5 3.015 6.429 2.817 1.00 0.43 C ATOM 139 O3' C A 5 3.491 7.432 1.893 1.00 0.56 O ATOM 140 C2' C A 5 1.785 5.743 2.190 1.00 0.40 C ATOM 141 O2' C A 5 1.419 6.374 0.963 1.00 0.49 O ATOM 142 C1' C A 5 2.263 4.316 1.930 1.00 0.38 C ATOM 143 N1 C A 5 1.212 3.314 2.214 1.00 0.35 N ATOM 144 C2 C A 5 0.364 2.959 1.174 1.00 0.34 C ATOM 145 O2 C A 5 0.517 3.453 0.060 1.00 0.39 O ATOM 146 N3 C A 5 -0.624 2.057 1.414 1.00 0.33 N ATOM 147 C4 C A 5 -0.777 1.517 2.629 1.00 0.37 C ATOM 148 N4 C A 5 -1.764 0.637 2.794 1.00 0.41 N ATOM 149 C5 C A 5 0.093 1.874 3.708 1.00 0.42 C ATOM 150 C6 C A 5 1.069 2.771 3.458 1.00 0.40 C ATOM 0 H5' C A 5 5.746 4.693 4.134 1.00 0.63 H new ATOM 0 H5'' C A 5 5.221 6.334 4.454 1.00 0.63 H new ATOM 0 H4' C A 5 4.837 5.484 2.156 1.00 0.48 H new ATOM 0 H3' C A 5 2.791 6.889 3.779 1.00 0.43 H new ATOM 0 H2' C A 5 0.905 5.792 2.832 1.00 0.40 H new ATOM 0 HO2' C A 5 1.091 7.279 1.146 1.00 0.49 H new ATOM 0 H1' C A 5 2.538 4.190 0.883 1.00 0.38 H new ATOM 0 H41 C A 5 -1.913 0.203 3.705 1.00 0.41 H new ATOM 0 H42 C A 5 -2.370 0.397 2.009 1.00 0.41 H new ATOM 0 H5 C A 5 -0.028 1.440 4.689 1.00 0.42 H new ATOM 0 H6 C A 5 1.744 3.062 4.250 1.00 0.40 H new ATOM 162 P U A 6 3.850 7.120 0.345 1.00 0.95 P ATOM 163 OP1 U A 6 3.529 5.707 0.055 1.00 1.64 O ATOM 164 OP2 U A 6 5.212 7.632 0.075 1.00 1.55 O ATOM 165 O5' U A 6 2.798 8.046 -0.454 1.00 0.89 O ATOM 166 C5' U A 6 1.857 7.470 -1.370 1.00 0.62 C ATOM 167 C4' U A 6 0.475 8.101 -1.230 1.00 0.53 C ATOM 168 O4' U A 6 0.127 8.168 0.160 1.00 0.65 O ATOM 169 C3' U A 6 0.379 9.536 -1.742 1.00 0.62 C ATOM 170 O3' U A 6 -0.938 9.705 -2.265 1.00 0.96 O ATOM 171 C2' U A 6 0.476 10.388 -0.488 1.00 0.65 C ATOM 172 O2' U A 6 -0.236 11.616 -0.656 1.00 0.93 O ATOM 173 C1' U A 6 -0.214 9.505 0.538 1.00 0.82 C ATOM 174 N1 U A 6 0.285 9.752 1.916 1.00 1.08 N ATOM 175 C2 U A 6 -0.546 10.416 2.808 1.00 1.56 C ATOM 176 O2 U A 6 -1.673 10.798 2.499 1.00 1.76 O ATOM 177 N3 U A 6 -0.034 10.627 4.073 1.00 1.88 N ATOM 178 C4 U A 6 1.215 10.241 4.521 1.00 1.81 C ATOM 179 O4 U A 6 1.557 10.486 5.676 1.00 2.17 O ATOM 180 C5 U A 6 2.023 9.557 3.537 1.00 1.37 C ATOM 181 C6 U A 6 1.538 9.338 2.289 1.00 1.01 C ATOM 0 H5' U A 6 1.787 6.397 -1.193 1.00 0.62 H new ATOM 0 H5'' U A 6 2.216 7.602 -2.391 1.00 0.62 H new ATOM 0 H4' U A 6 -0.185 7.471 -1.826 1.00 0.53 H new ATOM 0 H3' U A 6 1.131 9.782 -2.492 1.00 0.62 H new ATOM 0 H2' U A 6 1.494 10.671 -0.220 1.00 0.65 H new ATOM 0 HO2' U A 6 -1.002 11.471 -1.250 1.00 0.93 H new ATOM 0 H1' U A 6 -1.286 9.700 0.551 1.00 0.82 H new ATOM 0 H3 U A 6 -0.634 11.113 4.739 1.00 1.88 H new ATOM 0 H5 U A 6 3.016 9.219 3.796 1.00 1.37 H new ATOM 0 H6 U A 6 2.156 8.823 1.569 1.00 1.01 H new ATOM 192 P U A 7 -1.314 9.111 -3.711 1.00 1.28 P ATOM 193 OP1 U A 7 -0.056 8.743 -4.399 1.00 1.68 O ATOM 194 OP2 U A 7 -2.267 10.038 -4.360 1.00 1.87 O ATOM 195 O5' U A 7 -2.098 7.756 -3.335 1.00 0.75 O ATOM 196 C5' U A 7 -3.261 7.803 -2.508 1.00 0.38 C ATOM 197 C4' U A 7 -4.514 8.138 -3.335 1.00 0.26 C ATOM 198 O4' U A 7 -4.101 8.455 -4.671 1.00 0.20 O ATOM 199 C3' U A 7 -5.513 6.999 -3.503 1.00 0.34 C ATOM 200 O3' U A 7 -6.785 7.586 -3.789 1.00 0.39 O ATOM 201 C2' U A 7 -5.050 6.294 -4.764 1.00 0.29 C ATOM 202 O2' U A 7 -6.148 5.647 -5.412 1.00 0.33 O ATOM 203 C1' U A 7 -4.546 7.459 -5.606 1.00 0.23 C ATOM 204 N1 U A 7 -3.390 7.065 -6.452 1.00 0.37 N ATOM 205 C2 U A 7 -3.531 7.120 -7.832 1.00 0.56 C ATOM 206 O2 U A 7 -4.567 7.498 -8.375 1.00 0.66 O ATOM 207 N3 U A 7 -2.434 6.722 -8.570 1.00 0.71 N ATOM 208 C4 U A 7 -1.227 6.280 -8.062 1.00 0.72 C ATOM 209 O4 U A 7 -0.319 5.963 -8.826 1.00 0.88 O ATOM 210 C5 U A 7 -1.156 6.249 -6.619 1.00 0.60 C ATOM 211 C6 U A 7 -2.220 6.639 -5.874 1.00 0.43 C ATOM 0 H5' U A 7 -3.126 8.551 -1.727 1.00 0.38 H new ATOM 0 H5'' U A 7 -3.396 6.843 -2.010 1.00 0.38 H new ATOM 0 H4' U A 7 -5.000 8.946 -2.787 1.00 0.26 H new ATOM 0 H3' U A 7 -5.580 6.345 -2.634 1.00 0.34 H new ATOM 0 H2' U A 7 -4.307 5.516 -4.589 1.00 0.29 H new ATOM 0 HO2' U A 7 -5.831 5.199 -6.224 1.00 0.33 H new ATOM 0 H1' U A 7 -5.337 7.811 -6.268 1.00 0.23 H new ATOM 0 H3 U A 7 -2.523 6.758 -9.586 1.00 0.71 H new ATOM 0 H5 U A 7 -0.252 5.914 -6.132 1.00 0.60 H new ATOM 0 H6 U A 7 -2.145 6.614 -4.797 1.00 0.43 H new ATOM 222 P A A 8 -7.903 7.698 -2.634 1.00 0.66 P ATOM 223 OP1 A A 8 -8.695 8.924 -2.876 1.00 1.05 O ATOM 224 OP2 A A 8 -7.238 7.497 -1.328 1.00 1.24 O ATOM 225 O5' A A 8 -8.847 6.423 -2.919 1.00 0.76 O ATOM 226 C5' A A 8 -8.389 5.341 -3.734 1.00 0.70 C ATOM 227 C4' A A 8 -7.429 4.428 -2.971 1.00 0.48 C ATOM 228 O4' A A 8 -6.733 5.186 -2.004 1.00 0.54 O ATOM 229 C3' A A 8 -8.085 3.339 -2.137 1.00 0.28 C ATOM 230 O3' A A 8 -8.105 2.157 -2.942 1.00 0.52 O ATOM 231 C2' A A 8 -7.090 3.089 -0.988 1.00 0.34 C ATOM 232 O2' A A 8 -6.364 1.879 -1.221 1.00 0.52 O ATOM 233 C1' A A 8 -6.139 4.298 -1.067 1.00 0.38 C ATOM 234 N9 A A 8 -5.961 5.029 0.209 1.00 0.32 N ATOM 235 C8 A A 8 -6.859 5.259 1.227 1.00 0.40 C ATOM 236 N7 A A 8 -6.370 5.976 2.201 1.00 0.49 N ATOM 237 C5 A A 8 -5.066 6.241 1.801 1.00 0.42 C ATOM 238 C6 A A 8 -4.016 6.960 2.395 1.00 0.49 C ATOM 239 N6 A A 8 -4.118 7.569 3.576 1.00 0.67 N ATOM 240 N1 A A 8 -2.850 7.030 1.731 1.00 0.43 N ATOM 241 C2 A A 8 -2.739 6.423 0.555 1.00 0.34 C ATOM 242 N3 A A 8 -3.646 5.718 -0.106 1.00 0.31 N ATOM 243 C4 A A 8 -4.804 5.669 0.590 1.00 0.31 C ATOM 0 H5' A A 8 -7.890 5.737 -4.618 1.00 0.70 H new ATOM 0 H5'' A A 8 -9.243 4.761 -4.083 1.00 0.70 H new ATOM 0 H4' A A 8 -6.822 3.980 -3.758 1.00 0.48 H new ATOM 0 H3' A A 8 -9.087 3.596 -1.793 1.00 0.28 H new ATOM 0 H2' A A 8 -7.575 2.987 -0.017 1.00 0.34 H new ATOM 0 HO2' A A 8 -5.416 2.087 -1.357 1.00 0.52 H new ATOM 0 H1' A A 8 -5.148 3.937 -1.341 1.00 0.38 H new ATOM 0 H8 A A 8 -7.871 4.882 1.220 1.00 0.40 H new ATOM 0 H61 A A 8 -3.321 8.077 3.958 1.00 0.67 H new ATOM 0 H62 A A 8 -4.994 7.527 4.098 1.00 0.67 H new ATOM 0 H2 A A 8 -1.778 6.517 0.071 1.00 0.34 H new ATOM 255 P G A 9 -9.098 2.043 -4.208 1.00 0.62 P ATOM 256 OP1 G A 9 -10.280 2.890 -3.943 1.00 0.74 O ATOM 257 OP2 G A 9 -9.273 0.610 -4.532 1.00 0.94 O ATOM 258 O5' G A 9 -8.243 2.728 -5.393 1.00 0.75 O ATOM 259 C5' G A 9 -7.646 1.939 -6.433 1.00 0.50 C ATOM 260 C4' G A 9 -6.179 2.305 -6.629 1.00 0.42 C ATOM 261 O4' G A 9 -5.567 2.434 -5.343 1.00 0.38 O ATOM 262 C3' G A 9 -5.351 1.266 -7.379 1.00 0.43 C ATOM 263 O3' G A 9 -4.350 1.979 -8.107 1.00 0.46 O ATOM 264 C2' G A 9 -4.635 0.485 -6.287 1.00 0.38 C ATOM 265 O2' G A 9 -3.365 0.026 -6.757 1.00 0.38 O ATOM 266 C1' G A 9 -4.453 1.552 -5.205 1.00 0.31 C ATOM 267 N9 G A 9 -4.458 1.018 -3.821 1.00 0.32 N ATOM 268 C8 G A 9 -5.178 -0.027 -3.279 1.00 0.38 C ATOM 269 N7 G A 9 -4.953 -0.213 -2.009 1.00 0.40 N ATOM 270 C5 G A 9 -4.029 0.769 -1.681 1.00 0.35 C ATOM 271 C6 G A 9 -3.413 1.060 -0.433 1.00 0.35 C ATOM 272 O6 G A 9 -3.560 0.485 0.644 1.00 0.41 O ATOM 273 N1 G A 9 -2.545 2.133 -0.531 1.00 0.31 N ATOM 274 C2 G A 9 -2.293 2.844 -1.683 1.00 0.28 C ATOM 275 N2 G A 9 -1.436 3.860 -1.592 1.00 0.30 N ATOM 276 N3 G A 9 -2.862 2.578 -2.860 1.00 0.28 N ATOM 277 C4 G A 9 -3.718 1.530 -2.782 1.00 0.30 C ATOM 0 H5' G A 9 -8.189 2.091 -7.366 1.00 0.50 H new ATOM 0 H5'' G A 9 -7.730 0.881 -6.184 1.00 0.50 H new ATOM 0 H4' G A 9 -6.188 3.221 -7.220 1.00 0.42 H new ATOM 0 H3' G A 9 -5.945 0.636 -8.040 1.00 0.43 H new ATOM 0 H2' G A 9 -5.170 -0.402 -5.948 1.00 0.38 H new ATOM 0 HO2' G A 9 -2.650 0.493 -6.277 1.00 0.38 H new ATOM 0 H1' G A 9 -3.481 2.025 -5.344 1.00 0.31 H new ATOM 0 H8 G A 9 -5.863 -0.633 -3.853 1.00 0.38 H new ATOM 0 H1 G A 9 -2.054 2.420 0.316 1.00 0.31 H new ATOM 0 H21 G A 9 -1.216 4.417 -2.418 1.00 0.30 H new ATOM 0 H22 G A 9 -1.000 4.080 -0.697 1.00 0.30 H new ATOM 289 P C A 10 -3.620 1.302 -9.372 1.00 0.54 P ATOM 290 OP1 C A 10 -4.093 1.982 -10.599 1.00 1.02 O ATOM 291 OP2 C A 10 -3.745 -0.168 -9.247 1.00 0.92 O ATOM 292 O5' C A 10 -2.079 1.697 -9.138 1.00 0.49 O ATOM 293 C5' C A 10 -1.655 3.056 -9.256 1.00 0.46 C ATOM 294 C4' C A 10 -0.333 3.291 -8.535 1.00 0.50 C ATOM 295 O4' C A 10 -0.586 3.534 -7.150 1.00 0.46 O ATOM 296 C3' C A 10 0.606 2.104 -8.526 1.00 0.57 C ATOM 297 O3' C A 10 1.446 2.220 -9.675 1.00 0.67 O ATOM 298 C2' C A 10 1.473 2.365 -7.305 1.00 0.60 C ATOM 299 O2' C A 10 2.536 3.266 -7.628 1.00 0.70 O ATOM 300 C1' C A 10 0.486 3.024 -6.338 1.00 0.50 C ATOM 301 N1 C A 10 -0.079 2.049 -5.372 1.00 0.43 N ATOM 302 C2 C A 10 0.442 2.021 -4.081 1.00 0.43 C ATOM 303 O2 C A 10 1.342 2.795 -3.760 1.00 0.48 O ATOM 304 N3 C A 10 -0.061 1.121 -3.193 1.00 0.41 N ATOM 305 C4 C A 10 -1.033 0.276 -3.554 1.00 0.41 C ATOM 306 N4 C A 10 -1.499 -0.568 -2.636 1.00 0.43 N ATOM 307 C5 C A 10 -1.569 0.294 -4.878 1.00 0.40 C ATOM 308 C6 C A 10 -1.072 1.192 -5.748 1.00 0.41 C ATOM 0 H5' C A 10 -2.419 3.714 -8.842 1.00 0.46 H new ATOM 0 H5'' C A 10 -1.548 3.315 -10.309 1.00 0.46 H new ATOM 0 H4' C A 10 0.124 4.119 -9.076 1.00 0.50 H new ATOM 0 H3' C A 10 0.104 1.137 -8.519 1.00 0.57 H new ATOM 0 H2' C A 10 1.949 1.470 -6.905 1.00 0.60 H new ATOM 0 HO2' C A 10 2.687 3.260 -8.596 1.00 0.70 H new ATOM 0 H1' C A 10 0.994 3.798 -5.762 1.00 0.50 H new ATOM 0 H41 C A 10 -2.240 -1.226 -2.877 1.00 0.43 H new ATOM 0 H42 C A 10 -1.115 -0.557 -1.691 1.00 0.43 H new ATOM 0 H5 C A 10 -2.349 -0.392 -5.172 1.00 0.40 H new ATOM 0 H6 C A 10 -1.463 1.235 -6.754 1.00 0.41 H new ATOM 320 P A A 11 2.382 0.989 -10.118 1.00 0.78 P ATOM 321 OP1 A A 11 3.471 1.516 -10.972 1.00 0.90 O ATOM 322 OP2 A A 11 1.511 -0.098 -10.618 1.00 0.76 O ATOM 323 O5' A A 11 3.020 0.521 -8.717 1.00 0.79 O ATOM 324 C5' A A 11 4.241 1.097 -8.250 1.00 0.86 C ATOM 325 C4' A A 11 4.879 0.247 -7.159 1.00 0.86 C ATOM 326 O4' A A 11 4.199 0.460 -5.920 1.00 0.75 O ATOM 327 C3' A A 11 4.775 -1.247 -7.371 1.00 0.89 C ATOM 328 O3' A A 11 5.938 -1.653 -8.098 1.00 1.04 O ATOM 329 C2' A A 11 4.914 -1.808 -5.965 1.00 0.85 C ATOM 330 O2' A A 11 6.291 -2.000 -5.635 1.00 0.95 O ATOM 331 C1' A A 11 4.299 -0.712 -5.093 1.00 0.74 C ATOM 332 N9 A A 11 2.967 -1.103 -4.599 1.00 0.63 N ATOM 333 C8 A A 11 1.789 -1.218 -5.291 1.00 0.61 C ATOM 334 N7 A A 11 0.801 -1.675 -4.569 1.00 0.57 N ATOM 335 C5 A A 11 1.370 -1.872 -3.314 1.00 0.55 C ATOM 336 C6 A A 11 0.854 -2.345 -2.094 1.00 0.54 C ATOM 337 N6 A A 11 -0.405 -2.748 -1.930 1.00 0.58 N ATOM 338 N1 A A 11 1.692 -2.413 -1.047 1.00 0.54 N ATOM 339 C2 A A 11 2.954 -2.037 -1.204 1.00 0.56 C ATOM 340 N3 A A 11 3.557 -1.581 -2.290 1.00 0.60 N ATOM 341 C4 A A 11 2.688 -1.524 -3.322 1.00 0.58 C ATOM 0 H5' A A 11 4.048 2.099 -7.866 1.00 0.86 H new ATOM 0 H5'' A A 11 4.936 1.203 -9.083 1.00 0.86 H new ATOM 0 H4' A A 11 5.925 0.552 -7.170 1.00 0.86 H new ATOM 0 H3' A A 11 3.868 -1.559 -7.890 1.00 0.89 H new ATOM 0 H2' A A 11 4.434 -2.779 -5.839 1.00 0.85 H new ATOM 0 HO2' A A 11 6.364 -2.643 -4.899 1.00 0.95 H new ATOM 0 H1' A A 11 4.919 -0.531 -4.215 1.00 0.74 H new ATOM 0 H8 A A 11 1.688 -0.956 -6.334 1.00 0.61 H new ATOM 0 H61 A A 11 -0.719 -3.081 -1.019 1.00 0.58 H new ATOM 0 H62 A A 11 -1.055 -2.723 -2.716 1.00 0.58 H new ATOM 0 H2 A A 11 3.575 -2.114 -0.324 1.00 0.56 H new ATOM 353 P C A 12 6.108 -3.179 -8.583 1.00 1.15 P ATOM 354 OP1 C A 12 7.307 -3.259 -9.448 1.00 1.29 O ATOM 355 OP2 C A 12 4.801 -3.654 -9.090 1.00 1.11 O ATOM 356 O5' C A 12 6.427 -3.954 -7.207 1.00 1.15 O ATOM 357 C5' C A 12 7.776 -4.103 -6.756 1.00 1.22 C ATOM 358 C4' C A 12 7.840 -4.618 -5.319 1.00 1.18 C ATOM 359 O4' C A 12 6.789 -4.030 -4.552 1.00 1.04 O ATOM 360 C3' C A 12 7.601 -6.105 -5.157 1.00 1.24 C ATOM 361 O3' C A 12 8.869 -6.754 -5.271 1.00 1.40 O ATOM 362 C2' C A 12 7.166 -6.216 -3.704 1.00 1.16 C ATOM 363 O2' C A 12 8.305 -6.242 -2.840 1.00 1.23 O ATOM 364 C1' C A 12 6.370 -4.923 -3.503 1.00 1.01 C ATOM 365 N1 C A 12 4.908 -5.142 -3.627 1.00 0.94 N ATOM 366 C2 C A 12 4.169 -5.315 -2.462 1.00 0.87 C ATOM 367 O2 C A 12 4.726 -5.284 -1.366 1.00 0.86 O ATOM 368 N3 C A 12 2.826 -5.518 -2.562 1.00 0.85 N ATOM 369 C4 C A 12 2.228 -5.551 -3.759 1.00 0.89 C ATOM 370 N4 C A 12 0.911 -5.751 -3.791 1.00 0.90 N ATOM 371 C5 C A 12 2.980 -5.375 -4.963 1.00 0.94 C ATOM 372 C6 C A 12 4.307 -5.174 -4.852 1.00 0.97 C ATOM 0 H5' C A 12 8.289 -3.144 -6.822 1.00 1.22 H new ATOM 0 H5'' C A 12 8.305 -4.793 -7.413 1.00 1.22 H new ATOM 0 H4' C A 12 8.851 -4.366 -4.999 1.00 1.18 H new ATOM 0 H3' C A 12 6.895 -6.528 -5.872 1.00 1.24 H new ATOM 0 H2' C A 12 6.600 -7.121 -3.483 1.00 1.16 H new ATOM 0 HO2' C A 12 9.098 -6.505 -3.352 1.00 1.23 H new ATOM 0 H1' C A 12 6.555 -4.529 -2.504 1.00 1.01 H new ATOM 0 H41 C A 12 0.421 -5.782 -4.685 1.00 0.90 H new ATOM 0 H42 C A 12 0.392 -5.873 -2.921 1.00 0.90 H new ATOM 0 H5 C A 12 2.499 -5.402 -5.930 1.00 0.94 H new ATOM 0 H6 C A 12 4.902 -5.037 -5.742 1.00 0.97 H new ATOM 384 P C A 13 8.959 -8.278 -5.782 1.00 1.53 P ATOM 385 OP1 C A 13 10.371 -8.713 -5.694 1.00 1.68 O ATOM 386 OP2 C A 13 8.234 -8.379 -7.067 1.00 1.54 O ATOM 387 O5' C A 13 8.117 -9.072 -4.664 1.00 1.50 O ATOM 388 C5' C A 13 8.729 -9.443 -3.426 1.00 1.50 C ATOM 389 C4' C A 13 7.689 -9.732 -2.348 1.00 1.44 C ATOM 390 O4' C A 13 6.623 -8.799 -2.456 1.00 1.29 O ATOM 391 C3' C A 13 6.991 -11.073 -2.473 1.00 1.55 C ATOM 392 O3' C A 13 7.782 -12.105 -1.879 1.00 1.69 O ATOM 393 C2' C A 13 5.714 -10.842 -1.664 1.00 1.45 C ATOM 394 O2' C A 13 5.933 -11.157 -0.287 1.00 1.47 O ATOM 395 C1' C A 13 5.453 -9.338 -1.832 1.00 1.28 C ATOM 396 N1 C A 13 4.284 -9.068 -2.700 1.00 1.24 N ATOM 397 C2 C A 13 3.031 -9.023 -2.103 1.00 1.20 C ATOM 398 O2 C A 13 2.919 -9.199 -0.892 1.00 1.18 O ATOM 399 N3 C A 13 1.943 -8.782 -2.884 1.00 1.19 N ATOM 400 C4 C A 13 2.077 -8.593 -4.203 1.00 1.22 C ATOM 401 N4 C A 13 0.974 -8.363 -4.915 1.00 1.22 N ATOM 402 C5 C A 13 3.365 -8.638 -4.826 1.00 1.26 C ATOM 403 C6 C A 13 4.434 -8.877 -4.043 1.00 1.28 C ATOM 0 H5' C A 13 9.388 -8.642 -3.091 1.00 1.50 H new ATOM 0 H5'' C A 13 9.351 -10.325 -3.577 1.00 1.50 H new ATOM 0 H4' C A 13 8.257 -9.691 -1.419 1.00 1.44 H new ATOM 0 H3' C A 13 6.812 -11.387 -3.501 1.00 1.55 H new ATOM 0 H2' C A 13 4.880 -11.461 -1.995 1.00 1.45 H new ATOM 0 HO2' C A 13 6.772 -11.656 -0.195 1.00 1.47 H new ATOM 0 HO3' C A 13 7.318 -12.964 -1.966 1.00 1.69 H new ATOM 0 H1' C A 13 5.242 -8.891 -0.861 1.00 1.28 H new ATOM 0 H41 C A 13 1.039 -8.215 -5.922 1.00 1.22 H new ATOM 0 H42 C A 13 0.065 -8.335 -4.453 1.00 1.22 H new ATOM 0 H5 C A 13 3.476 -8.485 -5.889 1.00 1.26 H new ATOM 0 H6 C A 13 5.420 -8.918 -4.482 1.00 1.28 H new TER 416 C A 13 END