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 1HS4 TITLE SOLUTION STRUCTURE OF RNA HAIRPIN LOOP UUAAAU AS PART OF TITLE 2 HAIRPIN R(GCGUUAAAUCGCA) COMPND MOL_ID: 1; COMPND 2 MOLECULE: 5'-R(*GP*CP*GP*UP*UP*AP*AP*AP*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,M.CULYBA,H.VOLKMAN,T.R.KRUGH REVDAT 2 24-FEB-09 1HS4 1 VERSN REVDAT 1 02-SEP-03 1HS4 0 JRNL AUTH H.ZHANG,M.CULYBA,H.VOLKMAN,T.R.KRUGH JRNL TITL STRUCTURAL CHARACTERIZATION OF SIX-NUCLEOTIDE RNA JRNL TITL 2 HAIRPIN LOOPS: R(UUAAUU), R(UUAAAU), R(UUAACU) 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 1HS4 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 RCSB012555. 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 C A 2 O4' - C1' - N1 ANGL. DEV. = 4.2 DEGREES REMARK 500 U A 4 O4' - C1' - N1 ANGL. DEV. = 4.8 DEGREES REMARK 500 U A 9 O4' - C1' - N1 ANGL. DEV. = 4.9 DEGREES REMARK 500 C A 10 O4' - C1' - N1 ANGL. DEV. = 4.7 DEGREES REMARK 500 C A 12 O4' - C1' - N1 ANGL. DEV. = 4.7 DEGREES 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: 1HS8 RELATED DB: PDB REMARK 900 RNA HAIRPIN LOOP UCAAUU AS PART OF HAIRPIN R(GCGUCAAUUCGCA) DBREF 1HS4 A 1 13 PDB 1HS4 1HS4 1 13 SEQRES 1 A 13 G C G U U A A A 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 -20:sc= 0.0474 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 C O2' : rot -72:sc= 0.0489 USER MOD Single : A 3 G O2' : rot -20:sc= 0.0562 USER MOD Single : A 4 U O2' : rot 180:sc= -0.0459 USER MOD Single : A 5 U O2' : rot -171:sc= 0.997 USER MOD Single : A 6 A O2' : rot -28:sc= 0.0468 USER MOD Single : A 7 A O2' : rot -27:sc= 0.0876 USER MOD Single : A 8 A O2' : rot -28:sc= 0.196 USER MOD Single : A 9 U O2' : rot -127:sc= 0.298 USER MOD Single : A 10 C O2' : rot 180:sc= 0 USER MOD Single : A 11 G O2' : rot 180:sc=-0.00153 USER MOD Single : A 12 C O2' : rot -18:sc= 0.0295 USER MOD Single : A 13 A O2' : rot -20:sc= 0.0662 USER MOD Single : A 13 A O3' : rot 180:sc= 0.0814 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 13.436 16.304 2.143 1.00 0.00 O ATOM 2 C5' G A 1 13.535 17.342 3.097 1.00 0.00 C ATOM 3 C4' G A 1 12.726 17.001 4.356 1.00 0.00 C ATOM 4 O4' G A 1 13.305 15.916 5.066 1.00 0.00 O ATOM 5 C3' G A 1 12.686 18.154 5.362 1.00 0.00 C ATOM 6 O3' G A 1 11.777 19.179 4.979 1.00 0.00 O ATOM 7 C2' G A 1 12.258 17.388 6.614 1.00 0.00 C ATOM 8 O2' G A 1 10.871 17.105 6.597 1.00 0.00 O ATOM 9 C1' G A 1 13.042 16.077 6.456 1.00 0.00 C ATOM 10 N9 G A 1 14.302 16.132 7.240 1.00 0.00 N ATOM 11 C8 G A 1 15.602 16.270 6.813 1.00 0.00 C ATOM 12 N7 G A 1 16.485 16.248 7.774 1.00 0.00 N ATOM 13 C5 G A 1 15.724 16.097 8.926 1.00 0.00 C ATOM 14 C6 G A 1 16.128 15.991 10.299 1.00 0.00 C ATOM 15 O6 G A 1 17.271 16.005 10.752 1.00 0.00 O ATOM 16 N1 G A 1 15.045 15.859 11.179 1.00 0.00 N ATOM 17 C2 G A 1 13.712 15.834 10.777 1.00 0.00 C ATOM 18 N2 G A 1 12.786 15.696 11.734 1.00 0.00 N ATOM 19 N3 G A 1 13.337 15.923 9.483 1.00 0.00 N ATOM 20 C4 G A 1 14.382 16.049 8.609 1.00 0.00 C ATOM 0 H5' G A 1 13.171 18.275 2.666 1.00 0.00 H new ATOM 0 H5'' G A 1 14.580 17.500 3.362 1.00 0.00 H new ATOM 0 H4' G A 1 11.727 16.769 3.986 1.00 0.00 H new ATOM 0 H3' G A 1 13.617 18.710 5.474 1.00 0.00 H new ATOM 0 H2' G A 1 12.445 17.935 7.538 1.00 0.00 H new ATOM 0 HO2' G A 1 10.421 17.710 5.971 1.00 0.00 H new ATOM 0 HO5' G A 1 13.957 16.540 1.347 1.00 0.00 H new ATOM 0 H1' G A 1 12.472 15.228 6.833 1.00 0.00 H new ATOM 0 H8 G A 1 15.869 16.386 5.773 1.00 0.00 H new ATOM 0 H1 G A 1 15.246 15.776 12.176 1.00 0.00 H new ATOM 0 H21 G A 1 11.797 15.672 11.487 1.00 0.00 H new ATOM 0 H22 G A 1 13.070 15.614 12.710 1.00 0.00 H new ATOM 33 P C A 2 11.825 20.669 5.617 1.00 0.00 P ATOM 34 OP1 C A 2 10.689 21.440 5.061 1.00 0.00 O ATOM 35 OP2 C A 2 13.203 21.185 5.456 1.00 0.00 O ATOM 36 O5' C A 2 11.567 20.452 7.200 1.00 0.00 O ATOM 37 C5' C A 2 10.280 20.215 7.746 1.00 0.00 C ATOM 38 C4' C A 2 10.374 20.040 9.269 1.00 0.00 C ATOM 39 O4' C A 2 11.231 18.971 9.639 1.00 0.00 O ATOM 40 C3' C A 2 10.947 21.262 9.985 1.00 0.00 C ATOM 41 O3' C A 2 10.012 22.331 10.046 1.00 0.00 O ATOM 42 C2' C A 2 11.304 20.645 11.339 1.00 0.00 C ATOM 43 O2' C A 2 10.178 20.576 12.196 1.00 0.00 O ATOM 44 C1' C A 2 11.758 19.228 10.938 1.00 0.00 C ATOM 45 N1 C A 2 13.252 19.131 10.986 1.00 0.00 N ATOM 46 C2 C A 2 13.859 18.864 12.229 1.00 0.00 C ATOM 47 O2 C A 2 13.184 18.668 13.238 1.00 0.00 O ATOM 48 N3 C A 2 15.226 18.833 12.298 1.00 0.00 N ATOM 49 C4 C A 2 15.992 19.072 11.215 1.00 0.00 C ATOM 50 N4 C A 2 17.325 19.039 11.348 1.00 0.00 N ATOM 51 C5 C A 2 15.394 19.377 9.936 1.00 0.00 C ATOM 52 C6 C A 2 14.036 19.396 9.875 1.00 0.00 C ATOM 0 H5' C A 2 9.845 19.323 7.296 1.00 0.00 H new ATOM 0 H5'' C A 2 9.617 21.047 7.508 1.00 0.00 H new ATOM 0 H4' C A 2 9.340 19.859 9.564 1.00 0.00 H new ATOM 0 H3' C A 2 11.796 21.741 9.497 1.00 0.00 H new ATOM 0 H2' C A 2 12.050 21.220 11.888 1.00 0.00 H new ATOM 0 HO2' C A 2 9.949 21.476 12.508 1.00 0.00 H new ATOM 0 H1' C A 2 11.385 18.473 11.631 1.00 0.00 H new ATOM 0 H41 C A 2 17.923 19.217 10.541 1.00 0.00 H new ATOM 0 H42 C A 2 17.742 18.836 12.256 1.00 0.00 H new ATOM 0 H5 C A 2 16.000 19.581 9.065 1.00 0.00 H new ATOM 0 H6 C A 2 13.555 19.624 8.935 1.00 0.00 H new ATOM 64 P G A 3 10.419 23.811 10.558 1.00 0.00 P ATOM 65 OP1 G A 3 9.216 24.669 10.491 1.00 0.00 O ATOM 66 OP2 G A 3 11.652 24.220 9.846 1.00 0.00 O ATOM 67 O5' G A 3 10.771 23.564 12.116 1.00 0.00 O ATOM 68 C5' G A 3 11.722 24.354 12.807 1.00 0.00 C ATOM 69 C4' G A 3 11.924 23.797 14.221 1.00 0.00 C ATOM 70 O4' G A 3 12.320 22.430 14.191 1.00 0.00 O ATOM 71 C3' G A 3 13.032 24.548 14.966 1.00 0.00 C ATOM 72 O3' G A 3 12.559 25.723 15.612 1.00 0.00 O ATOM 73 C2' G A 3 13.487 23.476 15.952 1.00 0.00 C ATOM 74 O2' G A 3 12.575 23.344 17.026 1.00 0.00 O ATOM 75 C1' G A 3 13.422 22.227 15.064 1.00 0.00 C ATOM 76 N9 G A 3 14.681 22.054 14.290 1.00 0.00 N ATOM 77 C8 G A 3 14.905 22.156 12.936 1.00 0.00 C ATOM 78 N7 G A 3 16.132 21.910 12.573 1.00 0.00 N ATOM 79 C5 G A 3 16.782 21.618 13.764 1.00 0.00 C ATOM 80 C6 G A 3 18.148 21.256 14.010 1.00 0.00 C ATOM 81 O6 G A 3 19.043 21.087 13.186 1.00 0.00 O ATOM 82 N1 G A 3 18.431 21.091 15.372 1.00 0.00 N ATOM 83 C2 G A 3 17.493 21.243 16.389 1.00 0.00 C ATOM 84 N2 G A 3 17.910 21.028 17.643 1.00 0.00 N ATOM 85 N3 G A 3 16.203 21.561 16.151 1.00 0.00 N ATOM 86 C4 G A 3 15.907 21.735 14.826 1.00 0.00 C ATOM 0 H5' G A 3 11.382 25.388 12.858 1.00 0.00 H new ATOM 0 H5'' G A 3 12.669 24.356 12.267 1.00 0.00 H new ATOM 0 H4' G A 3 10.965 23.915 14.725 1.00 0.00 H new ATOM 0 H3' G A 3 13.825 24.931 14.324 1.00 0.00 H new ATOM 0 H2' G A 3 14.455 23.678 16.410 1.00 0.00 H new ATOM 0 HO2' G A 3 12.025 24.153 17.090 1.00 0.00 H new ATOM 0 H1' G A 3 13.301 21.323 15.661 1.00 0.00 H new ATOM 0 H8 G A 3 14.128 22.418 12.233 1.00 0.00 H new ATOM 0 H1 G A 3 19.385 20.844 15.635 1.00 0.00 H new ATOM 0 H21 G A 3 17.258 21.127 18.421 1.00 0.00 H new ATOM 0 H22 G A 3 18.879 20.765 17.820 1.00 0.00 H new ATOM 98 P U A 4 13.478 27.044 15.784 1.00 0.00 P ATOM 99 OP1 U A 4 12.784 27.968 16.710 1.00 0.00 O ATOM 100 OP2 U A 4 13.853 27.513 14.431 1.00 0.00 O ATOM 101 O5' U A 4 14.822 26.505 16.506 1.00 0.00 O ATOM 102 C5' U A 4 14.881 26.192 17.888 1.00 0.00 C ATOM 103 C4' U A 4 16.288 25.700 18.260 1.00 0.00 C ATOM 104 O4' U A 4 16.638 24.508 17.574 1.00 0.00 O ATOM 105 C3' U A 4 17.402 26.691 17.915 1.00 0.00 C ATOM 106 O3' U A 4 17.449 27.798 18.804 1.00 0.00 O ATOM 107 C2' U A 4 18.613 25.764 18.002 1.00 0.00 C ATOM 108 O2' U A 4 18.980 25.509 19.345 1.00 0.00 O ATOM 109 C1' U A 4 18.050 24.479 17.375 1.00 0.00 C ATOM 110 N1 U A 4 18.442 24.392 15.933 1.00 0.00 N ATOM 111 C2 U A 4 19.761 24.000 15.650 1.00 0.00 C ATOM 112 O2 U A 4 20.574 23.709 16.526 1.00 0.00 O ATOM 113 N3 U A 4 20.125 23.958 14.305 1.00 0.00 N ATOM 114 C4 U A 4 19.304 24.296 13.229 1.00 0.00 C ATOM 115 O4 U A 4 19.732 24.223 12.079 1.00 0.00 O ATOM 116 C5 U A 4 17.961 24.715 13.605 1.00 0.00 C ATOM 117 C6 U A 4 17.578 24.749 14.910 1.00 0.00 C ATOM 0 H5' U A 4 14.144 25.425 18.126 1.00 0.00 H new ATOM 0 H5'' U A 4 14.627 27.072 18.479 1.00 0.00 H new ATOM 0 H4' U A 4 16.221 25.555 19.338 1.00 0.00 H new ATOM 0 H3' U A 4 17.298 27.194 16.954 1.00 0.00 H new ATOM 0 H2' U A 4 19.504 26.170 17.523 1.00 0.00 H new ATOM 0 HO2' U A 4 19.757 24.912 19.364 1.00 0.00 H new ATOM 0 H1' U A 4 18.456 23.582 17.842 1.00 0.00 H new ATOM 0 H3 U A 4 21.074 23.654 14.089 1.00 0.00 H new ATOM 0 H5 U A 4 17.259 25.003 12.837 1.00 0.00 H new ATOM 0 H6 U A 4 16.574 25.063 15.155 1.00 0.00 H new ATOM 128 P U A 5 18.340 29.114 18.492 1.00 0.00 P ATOM 129 OP1 U A 5 18.108 30.092 19.579 1.00 0.00 O ATOM 130 OP2 U A 5 18.092 29.516 17.089 1.00 0.00 O ATOM 131 O5' U A 5 19.867 28.592 18.591 1.00 0.00 O ATOM 132 C5' U A 5 20.522 28.359 19.828 1.00 0.00 C ATOM 133 C4' U A 5 21.999 28.014 19.591 1.00 0.00 C ATOM 134 O4' U A 5 22.191 26.815 18.860 1.00 0.00 O ATOM 135 C3' U A 5 22.726 29.085 18.779 1.00 0.00 C ATOM 136 O3' U A 5 22.928 30.254 19.562 1.00 0.00 O ATOM 137 C2' U A 5 23.994 28.320 18.404 1.00 0.00 C ATOM 138 O2' U A 5 24.914 28.300 19.480 1.00 0.00 O ATOM 139 C1' U A 5 23.431 26.904 18.157 1.00 0.00 C ATOM 140 N1 U A 5 23.259 26.635 16.692 1.00 0.00 N ATOM 141 C2 U A 5 24.363 26.139 15.977 1.00 0.00 C ATOM 142 O2 U A 5 25.464 25.950 16.486 1.00 0.00 O ATOM 143 N3 U A 5 24.157 25.854 14.627 1.00 0.00 N ATOM 144 C4 U A 5 22.963 26.035 13.930 1.00 0.00 C ATOM 145 O4 U A 5 22.878 25.701 12.751 1.00 0.00 O ATOM 146 C5 U A 5 21.895 26.632 14.718 1.00 0.00 C ATOM 147 C6 U A 5 22.067 26.905 16.038 1.00 0.00 C ATOM 0 H5' U A 5 20.032 27.543 20.359 1.00 0.00 H new ATOM 0 H5'' U A 5 20.445 29.243 20.461 1.00 0.00 H new ATOM 0 H4' U A 5 22.396 27.924 20.602 1.00 0.00 H new ATOM 0 H3' U A 5 22.208 29.481 17.906 1.00 0.00 H new ATOM 0 H2' U A 5 24.537 28.749 17.562 1.00 0.00 H new ATOM 0 HO2' U A 5 25.768 27.930 19.173 1.00 0.00 H new ATOM 0 H1' U A 5 24.125 26.146 18.521 1.00 0.00 H new ATOM 0 H3 U A 5 24.949 25.481 14.104 1.00 0.00 H new ATOM 0 H5 U A 5 20.951 26.862 14.246 1.00 0.00 H new ATOM 0 H6 U A 5 21.252 27.345 16.593 1.00 0.00 H new ATOM 158 P A A 6 22.960 31.738 18.922 1.00 0.00 P ATOM 159 OP1 A A 6 23.108 32.708 20.029 1.00 0.00 O ATOM 160 OP2 A A 6 21.824 31.869 17.981 1.00 0.00 O ATOM 161 O5' A A 6 24.332 31.734 18.078 1.00 0.00 O ATOM 162 C5' A A 6 24.633 32.750 17.138 1.00 0.00 C ATOM 163 C4' A A 6 26.069 32.583 16.629 1.00 0.00 C ATOM 164 O4' A A 6 27.008 32.761 17.679 1.00 0.00 O ATOM 165 C3' A A 6 26.364 31.201 16.038 1.00 0.00 C ATOM 166 O3' A A 6 25.866 31.051 14.714 1.00 0.00 O ATOM 167 C2' A A 6 27.889 31.216 16.110 1.00 0.00 C ATOM 168 O2' A A 6 28.444 32.003 15.072 1.00 0.00 O ATOM 169 C1' A A 6 28.124 31.907 17.459 1.00 0.00 C ATOM 170 N9 A A 6 28.256 30.910 18.556 1.00 0.00 N ATOM 171 C8 A A 6 27.392 30.610 19.585 1.00 0.00 C ATOM 172 N7 A A 6 27.853 29.741 20.441 1.00 0.00 N ATOM 173 C5 A A 6 29.112 29.423 19.947 1.00 0.00 C ATOM 174 C6 A A 6 30.150 28.560 20.395 1.00 0.00 C ATOM 175 N6 A A 6 30.069 27.847 21.526 1.00 0.00 N ATOM 176 N1 A A 6 31.277 28.452 19.646 1.00 0.00 N ATOM 177 C2 A A 6 31.378 29.169 18.519 1.00 0.00 C ATOM 178 N3 A A 6 30.485 30.024 18.006 1.00 0.00 N ATOM 179 C4 A A 6 29.355 30.111 18.777 1.00 0.00 C ATOM 0 H5' A A 6 24.513 33.731 17.599 1.00 0.00 H new ATOM 0 H5'' A A 6 23.934 32.703 16.303 1.00 0.00 H new ATOM 0 H4' A A 6 26.163 33.341 15.851 1.00 0.00 H new ATOM 0 H3' A A 6 25.891 30.365 16.554 1.00 0.00 H new ATOM 0 H2' A A 6 28.339 30.228 16.012 1.00 0.00 H new ATOM 0 HO2' A A 6 27.840 32.000 14.301 1.00 0.00 H new ATOM 0 H1' A A 6 29.053 32.476 17.446 1.00 0.00 H new ATOM 0 H8 A A 6 26.413 31.057 19.676 1.00 0.00 H new ATOM 0 H61 A A 6 30.842 27.242 21.804 1.00 0.00 H new ATOM 0 H62 A A 6 29.235 27.909 22.109 1.00 0.00 H new ATOM 0 H2 A A 6 32.291 29.042 17.956 1.00 0.00 H new ATOM 191 P A A 7 25.447 29.610 14.101 1.00 0.00 P ATOM 192 OP1 A A 7 25.196 29.783 12.652 1.00 0.00 O ATOM 193 OP2 A A 7 24.381 29.050 14.959 1.00 0.00 O ATOM 194 O5' A A 7 26.772 28.698 14.284 1.00 0.00 O ATOM 195 C5' A A 7 27.900 28.823 13.433 1.00 0.00 C ATOM 196 C4' A A 7 29.042 27.909 13.897 1.00 0.00 C ATOM 197 O4' A A 7 29.529 28.247 15.184 1.00 0.00 O ATOM 198 C3' A A 7 28.656 26.431 13.963 1.00 0.00 C ATOM 199 O3' A A 7 28.673 25.866 12.659 1.00 0.00 O ATOM 200 C2' A A 7 29.770 25.902 14.864 1.00 0.00 C ATOM 201 O2' A A 7 30.970 25.699 14.141 1.00 0.00 O ATOM 202 C1' A A 7 29.944 27.066 15.855 1.00 0.00 C ATOM 203 N9 A A 7 29.120 26.854 17.073 1.00 0.00 N ATOM 204 C8 A A 7 27.892 27.377 17.406 1.00 0.00 C ATOM 205 N7 A A 7 27.419 26.961 18.547 1.00 0.00 N ATOM 206 C5 A A 7 28.404 26.108 19.023 1.00 0.00 C ATOM 207 C6 A A 7 28.541 25.344 20.213 1.00 0.00 C ATOM 208 N6 A A 7 27.610 25.322 21.176 1.00 0.00 N ATOM 209 N1 A A 7 29.679 24.627 20.400 1.00 0.00 N ATOM 210 C2 A A 7 30.628 24.659 19.456 1.00 0.00 C ATOM 211 N3 A A 7 30.611 25.326 18.295 1.00 0.00 N ATOM 212 C4 A A 7 29.456 26.046 18.134 1.00 0.00 C ATOM 0 H5' A A 7 28.239 29.859 13.423 1.00 0.00 H new ATOM 0 H5'' A A 7 27.619 28.570 12.411 1.00 0.00 H new ATOM 0 H4' A A 7 29.807 28.064 13.136 1.00 0.00 H new ATOM 0 H3' A A 7 27.657 26.207 14.336 1.00 0.00 H new ATOM 0 H2' A A 7 29.538 24.940 15.322 1.00 0.00 H new ATOM 0 HO2' A A 7 30.759 25.521 13.201 1.00 0.00 H new ATOM 0 H1' A A 7 30.983 27.139 16.176 1.00 0.00 H new ATOM 0 H8 A A 7 27.363 28.075 16.774 1.00 0.00 H new ATOM 0 H61 A A 7 27.755 24.757 22.013 1.00 0.00 H new ATOM 0 H62 A A 7 26.756 25.870 21.072 1.00 0.00 H new ATOM 0 H2 A A 7 31.515 24.076 19.655 1.00 0.00 H new ATOM 224 P A A 8 27.391 25.152 11.976 1.00 0.00 P ATOM 225 OP1 A A 8 27.602 25.141 10.511 1.00 0.00 O ATOM 226 OP2 A A 8 26.152 25.741 12.532 1.00 0.00 O ATOM 227 O5' A A 8 27.510 23.631 12.501 1.00 0.00 O ATOM 228 C5' A A 8 28.695 22.872 12.327 1.00 0.00 C ATOM 229 C4' A A 8 28.353 21.378 12.223 1.00 0.00 C ATOM 230 O4' A A 8 27.457 21.194 11.136 1.00 0.00 O ATOM 231 C3' A A 8 29.583 20.499 11.951 1.00 0.00 C ATOM 232 O3' A A 8 30.216 19.964 13.111 1.00 0.00 O ATOM 233 C2' A A 8 28.967 19.369 11.119 1.00 0.00 C ATOM 234 O2' A A 8 28.404 18.374 11.957 1.00 0.00 O ATOM 235 C1' A A 8 27.838 20.075 10.358 1.00 0.00 C ATOM 236 N9 A A 8 28.257 20.528 9.003 1.00 0.00 N ATOM 237 C8 A A 8 29.097 21.560 8.649 1.00 0.00 C ATOM 238 N7 A A 8 29.213 21.750 7.364 1.00 0.00 N ATOM 239 C5 A A 8 28.395 20.773 6.810 1.00 0.00 C ATOM 240 C6 A A 8 28.057 20.428 5.472 1.00 0.00 C ATOM 241 N6 A A 8 28.546 21.072 4.402 1.00 0.00 N ATOM 242 N1 A A 8 27.198 19.397 5.263 1.00 0.00 N ATOM 243 C2 A A 8 26.702 18.741 6.321 1.00 0.00 C ATOM 244 N3 A A 8 26.945 18.970 7.618 1.00 0.00 N ATOM 245 C4 A A 8 27.812 20.015 7.804 1.00 0.00 C ATOM 0 H5' A A 8 29.371 23.041 13.165 1.00 0.00 H new ATOM 0 H5'' A A 8 29.216 23.198 11.427 1.00 0.00 H new ATOM 0 H4' A A 8 27.923 21.082 13.180 1.00 0.00 H new ATOM 0 H3' A A 8 30.383 21.069 11.479 1.00 0.00 H new ATOM 0 H2' A A 8 29.699 18.873 10.481 1.00 0.00 H new ATOM 0 HO2' A A 8 28.882 18.358 12.812 1.00 0.00 H new ATOM 0 H1' A A 8 27.015 19.377 10.208 1.00 0.00 H new ATOM 0 H8 A A 8 29.618 22.164 9.377 1.00 0.00 H new ATOM 0 H61 A A 8 28.271 20.783 3.463 1.00 0.00 H new ATOM 0 H62 A A 8 29.193 21.850 4.527 1.00 0.00 H new ATOM 0 H2 A A 8 26.024 17.929 6.101 1.00 0.00 H new ATOM 257 P U A 9 30.996 20.854 14.216 1.00 0.00 P ATOM 258 OP1 U A 9 31.638 22.004 13.538 1.00 0.00 O ATOM 259 OP2 U A 9 31.828 19.925 15.013 1.00 0.00 O ATOM 260 O5' U A 9 29.822 21.414 15.184 1.00 0.00 O ATOM 261 C5' U A 9 30.122 22.050 16.418 1.00 0.00 C ATOM 262 C4' U A 9 28.870 22.284 17.277 1.00 0.00 C ATOM 263 O4' U A 9 27.968 23.230 16.726 1.00 0.00 O ATOM 264 C3' U A 9 28.018 21.035 17.494 1.00 0.00 C ATOM 265 O3' U A 9 28.628 20.080 18.354 1.00 0.00 O ATOM 266 C2' U A 9 26.767 21.687 18.081 1.00 0.00 C ATOM 267 O2' U A 9 26.927 21.983 19.456 1.00 0.00 O ATOM 268 C1' U A 9 26.673 22.998 17.283 1.00 0.00 C ATOM 269 N1 U A 9 25.596 22.878 16.251 1.00 0.00 N ATOM 270 C2 U A 9 24.263 23.055 16.663 1.00 0.00 C ATOM 271 O2 U A 9 23.947 23.323 17.821 1.00 0.00 O ATOM 272 N3 U A 9 23.285 22.920 15.676 1.00 0.00 N ATOM 273 C4 U A 9 23.517 22.600 14.337 1.00 0.00 C ATOM 274 O4 U A 9 22.582 22.528 13.544 1.00 0.00 O ATOM 275 C5 U A 9 24.915 22.366 14.010 1.00 0.00 C ATOM 276 C6 U A 9 25.886 22.506 14.952 1.00 0.00 C ATOM 0 H5' U A 9 30.608 23.006 16.222 1.00 0.00 H new ATOM 0 H5'' U A 9 30.832 21.439 16.975 1.00 0.00 H new ATOM 0 H4' U A 9 29.309 22.635 18.211 1.00 0.00 H new ATOM 0 H3' U A 9 27.841 20.432 16.603 1.00 0.00 H new ATOM 0 H2' U A 9 25.888 21.046 18.012 1.00 0.00 H new ATOM 0 HO2' U A 9 26.182 21.598 19.962 1.00 0.00 H new ATOM 0 H1' U A 9 26.399 23.851 17.904 1.00 0.00 H new ATOM 0 H3 U A 9 22.316 23.068 15.958 1.00 0.00 H new ATOM 0 H5 U A 9 25.186 22.077 13.005 1.00 0.00 H new ATOM 0 H6 U A 9 26.914 22.321 14.677 1.00 0.00 H new ATOM 287 P C A 10 28.083 18.557 18.482 1.00 0.00 P ATOM 288 OP1 C A 10 28.920 17.857 19.482 1.00 0.00 O ATOM 289 OP2 C A 10 27.962 18.000 17.116 1.00 0.00 O ATOM 290 O5' C A 10 26.589 18.711 19.087 1.00 0.00 O ATOM 291 C5' C A 10 26.341 18.948 20.463 1.00 0.00 C ATOM 292 C4' C A 10 24.862 19.296 20.696 1.00 0.00 C ATOM 293 O4' C A 10 24.452 20.398 19.899 1.00 0.00 O ATOM 294 C3' C A 10 23.874 18.178 20.353 1.00 0.00 C ATOM 295 O3' C A 10 23.845 17.132 21.316 1.00 0.00 O ATOM 296 C2' C A 10 22.580 18.993 20.285 1.00 0.00 C ATOM 297 O2' C A 10 22.064 19.276 21.573 1.00 0.00 O ATOM 298 C1' C A 10 23.061 20.293 19.620 1.00 0.00 C ATOM 299 N1 C A 10 22.755 20.253 18.152 1.00 0.00 N ATOM 300 C2 C A 10 21.501 20.730 17.724 1.00 0.00 C ATOM 301 O2 C A 10 20.732 21.294 18.501 1.00 0.00 O ATOM 302 N3 C A 10 21.140 20.544 16.416 1.00 0.00 N ATOM 303 C4 C A 10 21.948 19.916 15.541 1.00 0.00 C ATOM 304 N4 C A 10 21.517 19.727 14.287 1.00 0.00 N ATOM 305 C5 C A 10 23.244 19.428 15.950 1.00 0.00 C ATOM 306 C6 C A 10 23.592 19.615 17.251 1.00 0.00 C ATOM 0 H5' C A 10 26.972 19.764 20.816 1.00 0.00 H new ATOM 0 H5'' C A 10 26.608 18.065 21.043 1.00 0.00 H new ATOM 0 H4' C A 10 24.830 19.503 21.766 1.00 0.00 H new ATOM 0 H3' C A 10 24.107 17.620 19.446 1.00 0.00 H new ATOM 0 H2' C A 10 21.778 18.475 19.758 1.00 0.00 H new ATOM 0 HO2' C A 10 21.239 19.798 21.487 1.00 0.00 H new ATOM 0 H1' C A 10 22.552 21.176 20.007 1.00 0.00 H new ATOM 0 H41 C A 10 22.114 19.253 13.609 1.00 0.00 H new ATOM 0 H42 C A 10 20.592 20.057 14.011 1.00 0.00 H new ATOM 0 H5 C A 10 23.907 18.936 15.254 1.00 0.00 H new ATOM 0 H6 C A 10 24.551 19.255 17.593 1.00 0.00 H new ATOM 318 P G A 11 23.156 15.692 21.013 1.00 0.00 P ATOM 319 OP1 G A 11 23.319 14.848 22.218 1.00 0.00 O ATOM 320 OP2 G A 11 23.666 15.206 19.711 1.00 0.00 O ATOM 321 O5' G A 11 21.581 16.020 20.831 1.00 0.00 O ATOM 322 C5' G A 11 20.723 16.275 21.931 1.00 0.00 C ATOM 323 C4' G A 11 19.332 16.697 21.438 1.00 0.00 C ATOM 324 O4' G A 11 19.396 17.808 20.554 1.00 0.00 O ATOM 325 C3' G A 11 18.584 15.614 20.657 1.00 0.00 C ATOM 326 O3' G A 11 18.062 14.589 21.493 1.00 0.00 O ATOM 327 C2' G A 11 17.508 16.478 19.999 1.00 0.00 C ATOM 328 O2' G A 11 16.481 16.822 20.911 1.00 0.00 O ATOM 329 C1' G A 11 18.312 17.733 19.634 1.00 0.00 C ATOM 330 N9 G A 11 18.781 17.644 18.226 1.00 0.00 N ATOM 331 C8 G A 11 20.014 17.300 17.722 1.00 0.00 C ATOM 332 N7 G A 11 20.096 17.351 16.422 1.00 0.00 N ATOM 333 C5 G A 11 18.822 17.732 16.020 1.00 0.00 C ATOM 334 C6 G A 11 18.289 17.948 14.705 1.00 0.00 C ATOM 335 O6 G A 11 18.884 17.888 13.633 1.00 0.00 O ATOM 336 N1 G A 11 16.921 18.261 14.714 1.00 0.00 N ATOM 337 C2 G A 11 16.151 18.352 15.871 1.00 0.00 C ATOM 338 N2 G A 11 14.856 18.660 15.725 1.00 0.00 N ATOM 339 N3 G A 11 16.661 18.162 17.107 1.00 0.00 N ATOM 340 C4 G A 11 17.996 17.860 17.118 1.00 0.00 C ATOM 0 H5' G A 11 21.147 17.060 22.557 1.00 0.00 H new ATOM 0 H5'' G A 11 20.641 15.382 22.551 1.00 0.00 H new ATOM 0 H4' G A 11 18.804 16.926 22.364 1.00 0.00 H new ATOM 0 H3' G A 11 19.192 15.038 19.960 1.00 0.00 H new ATOM 0 H2' G A 11 17.008 15.984 19.166 1.00 0.00 H new ATOM 0 HO2' G A 11 15.812 17.375 20.457 1.00 0.00 H new ATOM 0 H1' G A 11 17.706 18.637 19.703 1.00 0.00 H new ATOM 0 H8 G A 11 20.844 17.012 18.350 1.00 0.00 H new ATOM 0 H1 G A 11 16.463 18.432 13.819 1.00 0.00 H new ATOM 0 H21 G A 11 14.255 18.737 16.545 1.00 0.00 H new ATOM 0 H22 G A 11 14.471 18.817 14.794 1.00 0.00 H new ATOM 352 P C A 12 17.559 13.161 20.908 1.00 0.00 P ATOM 353 OP1 C A 12 17.042 12.363 22.042 1.00 0.00 O ATOM 354 OP2 C A 12 18.643 12.608 20.066 1.00 0.00 O ATOM 355 O5' C A 12 16.319 13.526 19.934 1.00 0.00 O ATOM 356 C5' C A 12 15.029 13.859 20.420 1.00 0.00 C ATOM 357 C4' C A 12 14.105 14.259 19.259 1.00 0.00 C ATOM 358 O4' C A 12 14.607 15.364 18.518 1.00 0.00 O ATOM 359 C3' C A 12 13.892 13.161 18.216 1.00 0.00 C ATOM 360 O3' C A 12 13.041 12.117 18.668 1.00 0.00 O ATOM 361 C2' C A 12 13.290 13.999 17.088 1.00 0.00 C ATOM 362 O2' C A 12 11.943 14.338 17.362 1.00 0.00 O ATOM 363 C1' C A 12 14.166 15.260 17.164 1.00 0.00 C ATOM 364 N1 C A 12 15.294 15.155 16.182 1.00 0.00 N ATOM 365 C2 C A 12 15.029 15.476 14.837 1.00 0.00 C ATOM 366 O2 C A 12 13.917 15.864 14.482 1.00 0.00 O ATOM 367 N3 C A 12 16.038 15.348 13.920 1.00 0.00 N ATOM 368 C4 C A 12 17.261 14.907 14.274 1.00 0.00 C ATOM 369 N4 C A 12 18.204 14.796 13.329 1.00 0.00 N ATOM 370 C5 C A 12 17.552 14.547 15.641 1.00 0.00 C ATOM 371 C6 C A 12 16.545 14.683 16.543 1.00 0.00 C ATOM 0 H5' C A 12 15.103 14.680 21.133 1.00 0.00 H new ATOM 0 H5'' C A 12 14.604 13.009 20.955 1.00 0.00 H new ATOM 0 H4' C A 12 13.171 14.490 19.772 1.00 0.00 H new ATOM 0 H3' C A 12 14.787 12.604 17.941 1.00 0.00 H new ATOM 0 H2' C A 12 13.278 13.495 16.122 1.00 0.00 H new ATOM 0 HO2' C A 12 11.590 13.742 18.056 1.00 0.00 H new ATOM 0 H1' C A 12 13.622 16.165 16.894 1.00 0.00 H new ATOM 0 H41 C A 12 19.136 14.464 13.576 1.00 0.00 H new ATOM 0 H42 C A 12 17.989 15.043 12.363 1.00 0.00 H new ATOM 0 H5 C A 12 18.527 14.186 15.934 1.00 0.00 H new ATOM 0 H6 C A 12 16.726 14.415 17.573 1.00 0.00 H new ATOM 383 P A A 13 13.038 10.648 17.980 1.00 0.00 P ATOM 384 OP1 A A 13 12.042 9.816 18.692 1.00 0.00 O ATOM 385 OP2 A A 13 14.440 10.184 17.889 1.00 0.00 O ATOM 386 O5' A A 13 12.506 10.904 16.472 1.00 0.00 O ATOM 387 C5' A A 13 11.131 11.078 16.169 1.00 0.00 C ATOM 388 C4' A A 13 10.935 11.311 14.665 1.00 0.00 C ATOM 389 O4' A A 13 11.633 12.457 14.203 1.00 0.00 O ATOM 390 C3' A A 13 11.430 10.162 13.784 1.00 0.00 C ATOM 391 O3' A A 13 10.569 9.040 13.790 1.00 0.00 O ATOM 392 C2' A A 13 11.492 10.866 12.430 1.00 0.00 C ATOM 393 O2' A A 13 10.205 10.975 11.848 1.00 0.00 O ATOM 394 C1' A A 13 11.999 12.259 12.841 1.00 0.00 C ATOM 395 N9 A A 13 13.474 12.344 12.670 1.00 0.00 N ATOM 396 C8 A A 13 14.477 12.215 13.603 1.00 0.00 C ATOM 397 N7 A A 13 15.683 12.318 13.116 1.00 0.00 N ATOM 398 C5 A A 13 15.477 12.517 11.757 1.00 0.00 C ATOM 399 C6 A A 13 16.354 12.691 10.652 1.00 0.00 C ATOM 400 N6 A A 13 17.687 12.733 10.777 1.00 0.00 N ATOM 401 N1 A A 13 15.820 12.820 9.410 1.00 0.00 N ATOM 402 C2 A A 13 14.489 12.785 9.270 1.00 0.00 C ATOM 403 N3 A A 13 13.565 12.640 10.228 1.00 0.00 N ATOM 404 C4 A A 13 14.128 12.511 11.470 1.00 0.00 C ATOM 0 H5' A A 13 10.734 11.925 16.729 1.00 0.00 H new ATOM 0 H5'' A A 13 10.570 10.198 16.482 1.00 0.00 H new ATOM 0 H4' A A 13 9.854 11.420 14.575 1.00 0.00 H new ATOM 0 H3' A A 13 12.372 9.720 14.108 1.00 0.00 H new ATOM 0 H2' A A 13 12.106 10.349 11.693 1.00 0.00 H new ATOM 0 HO2' A A 13 9.604 10.318 12.258 1.00 0.00 H new ATOM 0 HO3' A A 13 10.937 8.342 13.209 1.00 0.00 H new ATOM 0 H1' A A 13 11.557 13.033 12.214 1.00 0.00 H new ATOM 0 H8 A A 13 14.282 12.043 14.651 1.00 0.00 H new ATOM 0 H61 A A 13 18.273 12.860 9.952 1.00 0.00 H new ATOM 0 H62 A A 13 18.116 12.638 11.697 1.00 0.00 H new ATOM 0 H2 A A 13 14.115 12.886 8.262 1.00 0.00 H new TER 417 A A 13 END