USER MOD reduce.3.24.130724 H: found=0, std=0, add=186, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 186 hydrogens (0 hets) HEADER RNA 12-DEC-01 1J4Y TITLE SOLUTION STRUCTURE OF THE UNMODIFIED ANTICODON STEM-LOOP TITLE 2 FROM E. COLI TRNA(PHE) COMPND MOL_ID: 1; COMPND 2 MOLECULE: ANTICODON STEM-LOOP OF TRNA(PHE); COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: T7 RNA POLYMERASE IN VITRO TRANSCRIPTION KEYWDS RNA STEM-LOOP, TRINUCLEOTIDE LOOP, HAIRPIN EXPDTA SOLUTION NMR AUTHOR J.CABELLO-VILLEGAS,M.E.WINKLER,E.P.NIKONOWICZ REVDAT 3 24-FEB-09 1J4Y 1 VERSN REVDAT 2 01-APR-03 1J4Y 1 JRNL REVDAT 1 17-JUL-02 1J4Y 0 JRNL AUTH J.CABELLO-VILLEGAS,M.E.WINKLER,E.P.NIKONOWICZ JRNL TITL SOLUTION CONFORMATIONS OF UNMODIFIED AND JRNL TITL 2 A(37)N(6)-DIMETHYLALLYL MODIFIED ANTICODON JRNL TITL 3 STEM-LOOPS OF ESCHERICHIA COLI TRNA(PHE). JRNL REF J.MOL.BIOL. V. 319 1015 2002 JRNL REFN ISSN 0022-2836 JRNL PMID 12079344 JRNL DOI 10.1016/S0022-2836(02)00382-0 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.861 REMARK 3 AUTHORS : BRUNGER, A. REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: 294 NOE DISTANCE CONSTRAINTS, 36 REMARK 3 BASE PAIR CONSTRAINTS, 70 TORSION ANGLE CONSTRAINTS. GLOBAL REMARK 3 FOLD WITHOUT TORSION ANGLE CONSTRAINTS. REFINEMENT WITH REMARK 3 TORSION ANGLE CONSTRAINTS. REMARK 4 REMARK 4 1J4Y COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 13-DEC-01. REMARK 100 THE RCSB ID CODE IS RCSB001618. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298; 288 REMARK 210 PH : 6.8; 6.8 REMARK 210 IONIC STRENGTH : 10 MM KPI, 10MM NACL; 10 MM REMARK 210 KPI, 10MM NACL REMARK 210 PRESSURE : 1 ATM; 1 ATM REMARK 210 SAMPLE CONTENTS : 2MM ACSL-PHE, 15N, 13C REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY, 3D_ REMARK 210 13C-SEPARATED_NOESY, DQF-COSY, REMARK 210 HNN-COSY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : AMX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : FELIX 98, 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 : NULL REMARK 210 REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING 1H, 13C, 15N AND 31P REMARK 210 HETERONUCLEAR NMR SPECTROSCOPY. 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 G A 1 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 G A 1 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES REMARK 500 G A 2 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 G A 2 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 G A 3 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 G A 3 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 G A 4 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 G A 4 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 A A 5 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES REMARK 500 G A 8 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 G A 8 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 A A 9 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES REMARK 500 A A 10 N7 - C8 - N9 ANGL. DEV. = 3.5 DEGREES REMARK 500 A A 11 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES REMARK 500 A A 12 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1KKA RELATED DB: PDB REMARK 900 1KKA CONTAINS THE ENSEMBLE DBREF 1J4Y A 1 17 PDB 1J4Y 1J4Y 1 17 SEQRES 1 A 17 G G G G A U U G A A A A U SEQRES 2 A 17 C C 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 -1:sc= 0.408 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 G O2' : rot -16:sc= 0.0844 USER MOD Single : A 3 G O2' : rot -16:sc= 0.121 USER MOD Single : A 4 G O2' : rot -19:sc= 0.17 USER MOD Single : A 5 A O2' : rot -25:sc= 0.165 USER MOD Single : A 6 U O2' : rot -10:sc= -2.51! USER MOD Single : A 7 U O2' : rot -17:sc= 0.711 USER MOD Single : A 8 G O2' : rot 25:sc= 0.179 USER MOD Single : A 9 A O2' : rot 15:sc= 0.264 USER MOD Single : A 10 A O2' : rot 125:sc= 0.766 USER MOD Single : A 11 A O2' : rot 165:sc= -1.64! USER MOD Single : A 12 A O2' : rot -16:sc= 0.134 USER MOD Single : A 13 U O2' : rot -13:sc= 0.117 USER MOD Single : A 14 C O2' : rot -14:sc= 0.148 USER MOD Single : A 15 C O2' : rot -24:sc= 0.128 USER MOD Single : A 16 C O2' : rot -132:sc= 0.609 USER MOD Single : A 17 C O2' : rot -14:sc= 0.163 USER MOD Single : A 17 C O3' : rot 180:sc= 0.192 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 2.053 -10.280 17.534 1.00 5.98 O ATOM 2 C5' G A 1 2.826 -9.238 16.918 1.00 5.32 C ATOM 3 C4' G A 1 4.224 -9.712 16.533 1.00 4.97 C ATOM 4 O4' G A 1 4.353 -9.827 15.114 1.00 5.18 O ATOM 5 C3' G A 1 5.298 -8.731 16.999 1.00 4.10 C ATOM 6 O3' G A 1 6.077 -9.386 18.008 1.00 3.95 O ATOM 7 C2' G A 1 6.146 -8.401 15.774 1.00 3.94 C ATOM 8 O2' G A 1 7.478 -8.910 15.913 1.00 4.08 O ATOM 9 C1' G A 1 5.444 -9.059 14.595 1.00 4.63 C ATOM 10 N9 G A 1 4.965 -8.047 13.639 1.00 4.45 N ATOM 11 C8 G A 1 3.701 -7.639 13.367 1.00 4.66 C ATOM 12 N7 G A 1 3.547 -6.739 12.454 1.00 4.54 N ATOM 13 C5 G A 1 4.869 -6.505 12.064 1.00 4.13 C ATOM 14 C6 G A 1 5.386 -5.616 11.087 1.00 3.85 C ATOM 15 O6 G A 1 4.770 -4.844 10.359 1.00 3.87 O ATOM 16 N1 G A 1 6.770 -5.692 11.010 1.00 3.64 N ATOM 17 C2 G A 1 7.565 -6.520 11.778 1.00 3.78 C ATOM 18 N2 G A 1 8.878 -6.439 11.569 1.00 3.82 N ATOM 19 N3 G A 1 7.086 -7.359 12.697 1.00 4.01 N ATOM 20 C4 G A 1 5.740 -7.301 12.788 1.00 4.13 C ATOM 0 H5' G A 1 2.906 -8.393 17.602 1.00 5.32 H new ATOM 0 H5'' G A 1 2.307 -8.880 16.029 1.00 5.32 H new ATOM 0 H4' G A 1 4.360 -10.680 17.016 1.00 4.97 H new ATOM 0 H3' G A 1 4.886 -7.813 17.419 1.00 4.10 H new ATOM 0 H2' G A 1 6.240 -7.323 15.640 1.00 3.94 H new ATOM 0 HO2' G A 1 7.571 -9.351 16.783 1.00 4.08 H new ATOM 0 HO5' G A 1 1.166 -9.935 17.767 1.00 5.98 H new ATOM 0 H1' G A 1 6.137 -9.704 14.055 1.00 4.63 H new ATOM 0 H8 G A 1 2.854 -8.052 13.895 1.00 4.66 H new ATOM 0 H1 G A 1 7.237 -5.089 10.333 1.00 3.64 H new ATOM 0 H21 G A 1 9.517 -7.026 12.106 1.00 3.82 H new ATOM 0 H22 G A 1 9.244 -5.790 10.872 1.00 3.82 H new ATOM 33 P G A 2 6.077 -8.857 19.531 1.00 3.37 P ATOM 34 OP1 G A 2 6.374 -10.001 20.422 1.00 3.55 O ATOM 35 OP2 G A 2 4.851 -8.057 19.745 1.00 3.72 O ATOM 36 O5' G A 2 7.341 -7.859 19.556 1.00 2.96 O ATOM 37 C5' G A 2 7.198 -6.477 19.197 1.00 2.72 C ATOM 38 C4' G A 2 8.465 -5.913 18.572 1.00 2.37 C ATOM 39 O4' G A 2 8.554 -6.227 17.179 1.00 2.42 O ATOM 40 C3' G A 2 8.487 -4.395 18.637 1.00 1.88 C ATOM 41 O3' G A 2 8.914 -3.979 19.942 1.00 1.83 O ATOM 42 C2' G A 2 9.459 -4.071 17.518 1.00 1.67 C ATOM 43 O2' G A 2 10.819 -4.221 17.943 1.00 1.80 O ATOM 44 C1' G A 2 9.087 -5.104 16.462 1.00 2.01 C ATOM 45 N9 G A 2 8.096 -4.560 15.512 1.00 1.89 N ATOM 46 C8 G A 2 6.761 -4.782 15.430 1.00 2.11 C ATOM 47 N7 G A 2 6.111 -4.182 14.491 1.00 2.07 N ATOM 48 C5 G A 2 7.128 -3.461 13.857 1.00 1.70 C ATOM 49 C6 G A 2 7.063 -2.589 12.739 1.00 1.50 C ATOM 50 O6 G A 2 6.082 -2.279 12.070 1.00 1.64 O ATOM 51 N1 G A 2 8.313 -2.070 12.427 1.00 1.24 N ATOM 52 C2 G A 2 9.483 -2.351 13.104 1.00 1.32 C ATOM 53 N2 G A 2 10.584 -1.746 12.663 1.00 1.39 N ATOM 54 N3 G A 2 9.551 -3.171 14.156 1.00 1.51 N ATOM 55 C4 G A 2 8.346 -3.688 14.479 1.00 1.63 C ATOM 0 H5' G A 2 6.943 -5.897 20.084 1.00 2.72 H new ATOM 0 H5'' G A 2 6.370 -6.369 18.497 1.00 2.72 H new ATOM 0 H4' G A 2 9.285 -6.356 19.136 1.00 2.37 H new ATOM 0 H3' G A 2 7.534 -3.884 18.504 1.00 1.88 H new ATOM 0 H2' G A 2 9.392 -3.042 17.166 1.00 1.67 H new ATOM 0 HO2' G A 2 10.855 -4.244 18.922 1.00 1.80 H new ATOM 0 H1' G A 2 9.953 -5.390 15.866 1.00 2.01 H new ATOM 0 H8 G A 2 6.259 -5.438 16.126 1.00 2.11 H new ATOM 0 H1 G A 2 8.371 -1.430 11.635 1.00 1.24 H new ATOM 0 H21 G A 2 11.478 -1.915 13.124 1.00 1.39 H new ATOM 0 H22 G A 2 10.533 -1.113 11.864 1.00 1.39 H new ATOM 67 P G A 3 7.956 -3.078 20.873 1.00 1.77 P ATOM 68 OP1 G A 3 8.455 -3.157 22.265 1.00 2.10 O ATOM 69 OP2 G A 3 6.549 -3.425 20.572 1.00 2.29 O ATOM 70 O5' G A 3 8.241 -1.594 20.322 1.00 1.53 O ATOM 71 C5' G A 3 9.587 -1.103 20.223 1.00 1.15 C ATOM 72 C4' G A 3 9.705 0.098 19.295 1.00 1.01 C ATOM 73 O4' G A 3 9.638 -0.281 17.918 1.00 1.01 O ATOM 74 C3' G A 3 8.542 1.059 19.469 1.00 0.93 C ATOM 75 O3' G A 3 8.693 1.842 20.659 1.00 0.98 O ATOM 76 C2' G A 3 8.663 1.868 18.189 1.00 0.90 C ATOM 77 O2' G A 3 9.631 2.916 18.322 1.00 0.97 O ATOM 78 C1' G A 3 9.111 0.826 17.169 1.00 0.91 C ATOM 79 N9 G A 3 7.980 0.406 16.316 1.00 0.92 N ATOM 80 C8 G A 3 7.240 -0.730 16.353 1.00 1.02 C ATOM 81 N7 G A 3 6.291 -0.855 15.487 1.00 1.09 N ATOM 82 C5 G A 3 6.399 0.341 14.772 1.00 1.02 C ATOM 83 C6 G A 3 5.630 0.818 13.676 1.00 1.10 C ATOM 84 O6 G A 3 4.691 0.268 13.107 1.00 1.23 O ATOM 85 N1 G A 3 6.066 2.068 13.254 1.00 1.08 N ATOM 86 C2 G A 3 7.110 2.777 13.815 1.00 1.03 C ATOM 87 N2 G A 3 7.378 3.964 13.272 1.00 1.14 N ATOM 88 N3 G A 3 7.836 2.335 14.846 1.00 0.95 N ATOM 89 C4 G A 3 7.431 1.119 15.274 1.00 0.93 C ATOM 0 H5' G A 3 10.235 -1.901 19.862 1.00 1.15 H new ATOM 0 H5'' G A 3 9.943 -0.827 21.216 1.00 1.15 H new ATOM 0 H4' G A 3 10.662 0.551 19.552 1.00 1.01 H new ATOM 0 H3' G A 3 7.562 0.599 19.599 1.00 0.93 H new ATOM 0 H2' G A 3 7.737 2.372 17.911 1.00 0.90 H new ATOM 0 HO2' G A 3 9.827 3.061 19.271 1.00 0.97 H new ATOM 0 H1' G A 3 9.868 1.233 16.499 1.00 0.91 H new ATOM 0 H8 G A 3 7.438 -1.503 17.081 1.00 1.02 H new ATOM 0 H1 G A 3 5.576 2.496 12.468 1.00 1.08 H new ATOM 0 H21 G A 3 8.138 4.535 13.643 1.00 1.14 H new ATOM 0 H22 G A 3 6.823 4.302 12.485 1.00 1.14 H new ATOM 101 P G A 4 7.418 2.189 21.580 1.00 1.06 P ATOM 102 OP1 G A 4 7.901 2.479 22.949 1.00 1.56 O ATOM 103 OP2 G A 4 6.394 1.142 21.367 1.00 1.64 O ATOM 104 O5' G A 4 6.880 3.561 20.930 1.00 1.02 O ATOM 105 C5' G A 4 5.477 3.759 20.697 1.00 1.01 C ATOM 106 C4' G A 4 5.211 4.724 19.553 1.00 0.90 C ATOM 107 O4' G A 4 5.541 4.148 18.286 1.00 0.90 O ATOM 108 C3' G A 4 3.732 5.062 19.455 1.00 0.90 C ATOM 109 O3' G A 4 3.424 6.129 20.361 1.00 0.93 O ATOM 110 C2' G A 4 3.571 5.440 17.994 1.00 0.89 C ATOM 111 O2' G A 4 3.844 6.830 17.780 1.00 0.93 O ATOM 112 C1' G A 4 4.597 4.559 17.287 1.00 0.88 C ATOM 113 N9 G A 4 3.943 3.393 16.659 1.00 0.90 N ATOM 114 C8 G A 4 3.801 2.126 17.124 1.00 0.97 C ATOM 115 N7 G A 4 3.170 1.282 16.378 1.00 1.00 N ATOM 116 C5 G A 4 2.844 2.069 15.270 1.00 0.95 C ATOM 117 C6 G A 4 2.139 1.723 14.086 1.00 0.98 C ATOM 118 O6 G A 4 1.655 0.637 13.776 1.00 1.03 O ATOM 119 N1 G A 4 2.027 2.808 13.225 1.00 1.01 N ATOM 120 C2 G A 4 2.528 4.071 13.469 1.00 1.01 C ATOM 121 N2 G A 4 2.320 4.982 12.519 1.00 1.12 N ATOM 122 N3 G A 4 3.192 4.404 14.580 1.00 0.95 N ATOM 123 C4 G A 4 3.314 3.363 15.434 1.00 0.91 C ATOM 0 H5' G A 4 5.011 4.139 21.606 1.00 1.01 H new ATOM 0 H5'' G A 4 5.009 2.800 20.476 1.00 1.01 H new ATOM 0 H4' G A 4 5.822 5.602 19.766 1.00 0.90 H new ATOM 0 H3' G A 4 3.052 4.257 19.733 1.00 0.90 H new ATOM 0 H2' G A 4 2.556 5.289 17.627 1.00 0.89 H new ATOM 0 HO2' G A 4 3.782 7.311 18.632 1.00 0.93 H new ATOM 0 H1' G A 4 5.096 5.103 16.485 1.00 0.88 H new ATOM 0 H8 G A 4 4.201 1.834 18.084 1.00 0.97 H new ATOM 0 H1 G A 4 1.536 2.660 12.343 1.00 1.01 H new ATOM 0 H21 G A 4 2.666 5.934 12.641 1.00 1.12 H new ATOM 0 H22 G A 4 1.815 4.727 11.670 1.00 1.12 H new ATOM 135 P A A 5 1.941 6.288 20.968 1.00 1.04 P ATOM 136 OP1 A A 5 2.011 7.210 22.125 1.00 1.80 O ATOM 137 OP2 A A 5 1.360 4.936 21.136 1.00 1.46 O ATOM 138 O5' A A 5 1.156 7.035 19.775 1.00 1.14 O ATOM 139 C5' A A 5 -0.057 6.495 19.244 1.00 0.96 C ATOM 140 C4' A A 5 -0.181 6.772 17.748 1.00 1.00 C ATOM 141 O4' A A 5 0.563 5.824 16.974 1.00 1.02 O ATOM 142 C3' A A 5 -1.621 6.628 17.282 1.00 1.02 C ATOM 143 O3' A A 5 -2.333 7.858 17.468 1.00 1.04 O ATOM 144 C2' A A 5 -1.457 6.257 15.819 1.00 1.06 C ATOM 145 O2' A A 5 -1.338 7.422 14.993 1.00 1.12 O ATOM 146 C1' A A 5 -0.174 5.435 15.805 1.00 1.06 C ATOM 147 N9 A A 5 -0.475 3.989 15.822 1.00 1.05 N ATOM 148 C8 A A 5 -0.255 3.067 16.794 1.00 1.01 C ATOM 149 N7 A A 5 -0.638 1.856 16.565 1.00 1.03 N ATOM 150 C5 A A 5 -1.182 1.970 15.281 1.00 1.08 C ATOM 151 C6 A A 5 -1.780 1.044 14.420 1.00 1.15 C ATOM 152 N6 A A 5 -1.946 -0.240 14.733 1.00 1.17 N ATOM 153 N1 A A 5 -2.206 1.494 13.227 1.00 1.20 N ATOM 154 C2 A A 5 -2.055 2.777 12.896 1.00 1.19 C ATOM 155 N3 A A 5 -1.505 3.737 13.632 1.00 1.15 N ATOM 156 C4 A A 5 -1.086 3.264 14.822 1.00 1.09 C ATOM 0 H5' A A 5 -0.910 6.927 19.768 1.00 0.96 H new ATOM 0 H5'' A A 5 -0.086 5.420 19.420 1.00 0.96 H new ATOM 0 H4' A A 5 0.193 7.786 17.604 1.00 1.00 H new ATOM 0 H3' A A 5 -2.204 5.889 17.832 1.00 1.02 H new ATOM 0 H2' A A 5 -2.314 5.713 15.422 1.00 1.06 H new ATOM 0 HO2' A A 5 -1.768 8.183 15.437 1.00 1.12 H new ATOM 0 H1' A A 5 0.404 5.618 14.899 1.00 1.06 H new ATOM 0 H8 A A 5 0.223 3.337 17.724 1.00 1.01 H new ATOM 0 H61 A A 5 -2.389 -0.874 14.068 1.00 1.17 H new ATOM 0 H62 A A 5 -1.630 -0.589 15.638 1.00 1.17 H new ATOM 0 H2 A A 5 -2.420 3.068 11.922 1.00 1.19 H new ATOM 168 P U A 6 -3.807 7.863 18.121 1.00 0.96 P ATOM 169 OP1 U A 6 -3.944 9.087 18.944 1.00 1.58 O ATOM 170 OP2 U A 6 -4.053 6.535 18.729 1.00 1.38 O ATOM 171 O5' U A 6 -4.760 8.018 16.829 1.00 0.86 O ATOM 172 C5' U A 6 -5.744 7.027 16.516 1.00 0.80 C ATOM 173 C4' U A 6 -5.633 6.575 15.062 1.00 0.75 C ATOM 174 O4' U A 6 -4.647 5.547 14.911 1.00 0.75 O ATOM 175 C3' U A 6 -6.939 5.969 14.571 1.00 0.68 C ATOM 176 O3' U A 6 -7.801 6.968 14.005 1.00 0.73 O ATOM 177 C2' U A 6 -6.463 4.976 13.525 1.00 0.67 C ATOM 178 O2' U A 6 -6.345 5.594 12.240 1.00 0.74 O ATOM 179 C1' U A 6 -5.101 4.508 14.032 1.00 0.72 C ATOM 180 N1 U A 6 -5.196 3.206 14.741 1.00 0.73 N ATOM 181 C2 U A 6 -5.860 2.166 14.104 1.00 0.79 C ATOM 182 O2 U A 6 -6.358 2.287 12.985 1.00 0.80 O ATOM 183 N3 U A 6 -5.928 0.973 14.799 1.00 0.90 N ATOM 184 C4 U A 6 -5.397 0.725 16.052 1.00 0.94 C ATOM 185 O4 U A 6 -5.519 -0.380 16.576 1.00 1.08 O ATOM 186 C5 U A 6 -4.722 1.859 16.641 1.00 0.85 C ATOM 187 C6 U A 6 -4.642 3.041 15.984 1.00 0.77 C ATOM 0 H5' U A 6 -6.740 7.430 16.699 1.00 0.80 H new ATOM 0 H5'' U A 6 -5.621 6.168 17.176 1.00 0.80 H new ATOM 0 H4' U A 6 -5.369 7.466 14.492 1.00 0.75 H new ATOM 0 H3' U A 6 -7.533 5.511 15.362 1.00 0.68 H new ATOM 0 H2' U A 6 -7.163 4.151 13.395 1.00 0.67 H new ATOM 0 HO2' U A 6 -6.742 6.490 12.270 1.00 0.74 H new ATOM 0 H1' U A 6 -4.406 4.340 13.209 1.00 0.72 H new ATOM 0 H3 U A 6 -6.417 0.202 14.344 1.00 0.90 H new ATOM 0 H5 U A 6 -4.275 1.763 17.619 1.00 0.85 H new ATOM 0 H6 U A 6 -4.131 3.871 16.449 1.00 0.77 H new ATOM 198 P U A 7 -9.374 6.677 13.801 1.00 0.72 P ATOM 199 OP1 U A 7 -9.945 7.770 12.983 1.00 0.86 O ATOM 200 OP2 U A 7 -9.963 6.358 15.120 1.00 0.76 O ATOM 201 O5' U A 7 -9.373 5.330 12.915 1.00 0.60 O ATOM 202 C5' U A 7 -9.160 5.379 11.501 1.00 0.62 C ATOM 203 C4' U A 7 -9.731 4.143 10.813 1.00 0.55 C ATOM 204 O4' U A 7 -9.305 2.943 11.469 1.00 0.52 O ATOM 205 C3' U A 7 -11.253 4.145 10.871 1.00 0.60 C ATOM 206 O3' U A 7 -11.814 4.549 9.614 1.00 0.74 O ATOM 207 C2' U A 7 -11.640 2.707 11.178 1.00 0.61 C ATOM 208 O2' U A 7 -12.038 2.022 9.986 1.00 0.69 O ATOM 209 C1' U A 7 -10.395 2.065 11.784 1.00 0.56 C ATOM 210 N1 U A 7 -10.537 1.883 13.251 1.00 0.69 N ATOM 211 C2 U A 7 -11.446 0.939 13.700 1.00 0.90 C ATOM 212 O2 U A 7 -12.123 0.265 12.936 1.00 0.95 O ATOM 213 N3 U A 7 -11.546 0.791 15.071 1.00 1.10 N ATOM 214 C4 U A 7 -10.830 1.491 16.022 1.00 1.09 C ATOM 215 O4 U A 7 -11.003 1.275 17.220 1.00 1.29 O ATOM 216 C5 U A 7 -9.904 2.454 15.468 1.00 0.85 C ATOM 217 C6 U A 7 -9.787 2.619 14.129 1.00 0.67 C ATOM 0 H5' U A 7 -8.092 5.453 11.294 1.00 0.62 H new ATOM 0 H5'' U A 7 -9.627 6.275 11.091 1.00 0.62 H new ATOM 0 H4' U A 7 -9.375 4.171 9.783 1.00 0.55 H new ATOM 0 H3' U A 7 -11.625 4.844 11.620 1.00 0.60 H new ATOM 0 H2' U A 7 -12.488 2.657 11.861 1.00 0.61 H new ATOM 0 HO2' U A 7 -12.239 2.676 9.285 1.00 0.69 H new ATOM 0 H1' U A 7 -10.229 1.068 11.377 1.00 0.56 H new ATOM 0 H3 U A 7 -12.212 0.099 15.413 1.00 1.10 H new ATOM 0 H5 U A 7 -9.297 3.051 16.132 1.00 0.85 H new ATOM 0 H6 U A 7 -9.087 3.347 13.745 1.00 0.67 H new ATOM 228 P G A 8 -12.860 5.774 9.532 1.00 1.04 P ATOM 229 OP1 G A 8 -13.176 6.019 8.105 1.00 2.06 O ATOM 230 OP2 G A 8 -12.347 6.880 10.372 1.00 1.20 O ATOM 231 O5' G A 8 -14.176 5.170 10.244 1.00 1.16 O ATOM 232 C5' G A 8 -15.063 4.288 9.535 1.00 1.25 C ATOM 233 C4' G A 8 -15.337 2.999 10.303 1.00 1.19 C ATOM 234 O4' G A 8 -14.461 2.864 11.426 1.00 1.12 O ATOM 235 C3' G A 8 -16.749 2.983 10.882 1.00 1.47 C ATOM 236 O3' G A 8 -17.276 1.658 10.745 1.00 1.48 O ATOM 237 C2' G A 8 -16.575 3.392 12.337 1.00 1.60 C ATOM 238 O2' G A 8 -17.542 2.754 13.180 1.00 1.84 O ATOM 239 C1' G A 8 -15.161 2.937 12.671 1.00 1.37 C ATOM 240 N9 G A 8 -14.499 3.880 13.593 1.00 1.41 N ATOM 241 C8 G A 8 -13.925 5.081 13.336 1.00 1.37 C ATOM 242 N7 G A 8 -13.388 5.712 14.325 1.00 1.44 N ATOM 243 C5 G A 8 -13.627 4.834 15.387 1.00 1.55 C ATOM 244 C6 G A 8 -13.281 4.950 16.760 1.00 1.71 C ATOM 245 O6 G A 8 -12.681 5.866 17.320 1.00 1.75 O ATOM 246 N1 G A 8 -13.708 3.848 17.489 1.00 1.86 N ATOM 247 C2 G A 8 -14.385 2.764 16.967 1.00 1.86 C ATOM 248 N2 G A 8 -14.716 1.804 17.830 1.00 2.05 N ATOM 249 N3 G A 8 -14.714 2.646 15.677 1.00 1.69 N ATOM 250 C4 G A 8 -14.309 3.710 14.946 1.00 1.55 C ATOM 0 H5' G A 8 -14.630 4.045 8.565 1.00 1.25 H new ATOM 0 H5'' G A 8 -16.005 4.801 9.344 1.00 1.25 H new ATOM 0 H4' G A 8 -15.192 2.193 9.584 1.00 1.19 H new ATOM 0 H3' G A 8 -17.447 3.654 10.382 1.00 1.47 H new ATOM 0 H2' G A 8 -16.722 4.461 12.494 1.00 1.60 H new ATOM 0 HO2' G A 8 -17.846 1.923 12.759 1.00 1.84 H new ATOM 0 H1' G A 8 -15.171 1.972 13.177 1.00 1.37 H new ATOM 0 H8 G A 8 -13.918 5.495 12.339 1.00 1.37 H new ATOM 0 H1 G A 8 -13.506 3.839 18.489 1.00 1.86 H new ATOM 0 H21 G A 8 -15.217 0.977 17.505 1.00 2.05 H new ATOM 0 H22 G A 8 -14.468 1.896 18.815 1.00 2.05 H new ATOM 262 P A A 9 -18.789 1.422 10.244 1.00 1.70 P ATOM 263 OP1 A A 9 -19.099 2.438 9.212 1.00 2.10 O ATOM 264 OP2 A A 9 -19.655 1.295 11.437 1.00 2.15 O ATOM 265 O5' A A 9 -18.712 -0.019 9.521 1.00 1.43 O ATOM 266 C5' A A 9 -17.517 -0.809 9.570 1.00 1.28 C ATOM 267 C4' A A 9 -17.799 -2.244 10.015 1.00 1.39 C ATOM 268 O4' A A 9 -16.880 -2.657 11.024 1.00 1.42 O ATOM 269 C3' A A 9 -19.179 -2.383 10.657 1.00 1.65 C ATOM 270 O3' A A 9 -19.758 -3.674 10.423 1.00 1.77 O ATOM 271 C2' A A 9 -18.906 -2.214 12.143 1.00 1.79 C ATOM 272 O2' A A 9 -19.858 -2.933 12.936 1.00 2.07 O ATOM 273 C1' A A 9 -17.507 -2.789 12.303 1.00 1.66 C ATOM 274 N9 A A 9 -16.743 -2.074 13.346 1.00 1.67 N ATOM 275 C8 A A 9 -16.311 -0.789 13.385 1.00 1.56 C ATOM 276 N7 A A 9 -15.630 -0.419 14.418 1.00 1.62 N ATOM 277 C5 A A 9 -15.600 -1.598 15.170 1.00 1.79 C ATOM 278 C6 A A 9 -15.030 -1.922 16.407 1.00 1.95 C ATOM 279 N6 A A 9 -14.340 -1.052 17.144 1.00 1.96 N ATOM 280 N1 A A 9 -15.193 -3.180 16.854 1.00 2.13 N ATOM 281 C2 A A 9 -15.873 -4.070 16.131 1.00 2.15 C ATOM 282 N3 A A 9 -16.450 -3.874 14.951 1.00 2.00 N ATOM 283 C4 A A 9 -16.276 -2.607 14.524 1.00 1.82 C ATOM 0 H5' A A 9 -16.806 -0.349 10.257 1.00 1.28 H new ATOM 0 H5'' A A 9 -17.048 -0.820 8.586 1.00 1.28 H new ATOM 0 H4' A A 9 -17.719 -2.847 9.111 1.00 1.39 H new ATOM 0 H3' A A 9 -19.883 -1.659 10.248 1.00 1.65 H new ATOM 0 H2' A A 9 -18.985 -1.179 12.476 1.00 1.79 H new ATOM 0 HO2' A A 9 -20.340 -3.572 12.370 1.00 2.07 H new ATOM 0 H1' A A 9 -17.546 -3.830 12.623 1.00 1.66 H new ATOM 0 H8 A A 9 -16.528 -0.101 12.582 1.00 1.56 H new ATOM 0 H61 A A 9 -13.946 -1.342 18.039 1.00 1.96 H new ATOM 0 H62 A A 9 -14.206 -0.097 16.813 1.00 1.96 H new ATOM 0 H2 A A 9 -15.965 -5.060 16.552 1.00 2.15 H new ATOM 295 P A A 10 -20.063 -4.191 8.925 1.00 1.71 P ATOM 296 OP1 A A 10 -20.052 -3.021 8.017 1.00 2.07 O ATOM 297 OP2 A A 10 -21.248 -5.075 8.973 1.00 1.80 O ATOM 298 O5' A A 10 -18.771 -5.095 8.592 1.00 1.63 O ATOM 299 C5' A A 10 -18.224 -5.987 9.570 1.00 1.76 C ATOM 300 C4' A A 10 -16.828 -6.462 9.166 1.00 1.69 C ATOM 301 O4' A A 10 -15.904 -5.374 9.072 1.00 1.48 O ATOM 302 C3' A A 10 -16.216 -7.381 10.214 1.00 1.87 C ATOM 303 O3' A A 10 -15.423 -8.281 9.436 1.00 2.01 O ATOM 304 C2' A A 10 -15.439 -6.435 11.110 1.00 1.74 C ATOM 305 O2' A A 10 -14.406 -7.117 11.827 1.00 1.85 O ATOM 306 C1' A A 10 -14.873 -5.484 10.064 1.00 1.51 C ATOM 307 N9 A A 10 -14.549 -4.160 10.627 1.00 1.37 N ATOM 308 C8 A A 10 -14.496 -3.741 11.916 1.00 1.45 C ATOM 309 N7 A A 10 -14.240 -2.492 12.124 1.00 1.33 N ATOM 310 C5 A A 10 -14.108 -2.011 10.818 1.00 1.12 C ATOM 311 C6 A A 10 -13.836 -0.743 10.296 1.00 0.95 C ATOM 312 N6 A A 10 -13.682 0.335 11.054 1.00 0.96 N ATOM 313 N1 A A 10 -13.770 -0.621 8.961 1.00 0.85 N ATOM 314 C2 A A 10 -13.963 -1.681 8.176 1.00 0.92 C ATOM 315 N3 A A 10 -14.230 -2.923 8.562 1.00 1.06 N ATOM 316 C4 A A 10 -14.289 -3.020 9.904 1.00 1.15 C ATOM 0 H5' A A 10 -18.883 -6.847 9.690 1.00 1.76 H new ATOM 0 H5'' A A 10 -18.175 -5.485 10.536 1.00 1.76 H new ATOM 0 H4' A A 10 -16.973 -6.966 8.210 1.00 1.69 H new ATOM 0 H3' A A 10 -16.874 -7.973 10.850 1.00 1.87 H new ATOM 0 H2' A A 10 -16.026 -5.955 11.893 1.00 1.74 H new ATOM 0 HO2' A A 10 -13.545 -6.683 11.652 1.00 1.85 H new ATOM 0 H1' A A 10 -13.935 -5.861 9.657 1.00 1.51 H new ATOM 0 H8 A A 10 -14.661 -4.424 12.736 1.00 1.45 H new ATOM 0 H61 A A 10 -13.484 1.238 10.623 1.00 0.96 H new ATOM 0 H62 A A 10 -13.761 0.261 12.068 1.00 0.96 H new ATOM 0 H2 A A 10 -13.895 -1.511 7.112 1.00 0.92 H new ATOM 328 P A A 11 -15.121 -9.778 9.934 1.00 2.14 P ATOM 329 OP1 A A 11 -16.040 -10.694 9.224 1.00 2.65 O ATOM 330 OP2 A A 11 -15.074 -9.780 11.415 1.00 2.46 O ATOM 331 O5' A A 11 -13.631 -10.026 9.376 1.00 2.16 O ATOM 332 C5' A A 11 -12.492 -9.539 10.089 1.00 2.10 C ATOM 333 C4' A A 11 -11.904 -8.289 9.437 1.00 1.81 C ATOM 334 O4' A A 11 -12.383 -7.101 10.081 1.00 1.67 O ATOM 335 C3' A A 11 -10.384 -8.275 9.578 1.00 1.91 C ATOM 336 O3' A A 11 -9.739 -7.944 8.341 1.00 1.84 O ATOM 337 C2' A A 11 -10.102 -7.214 10.627 1.00 1.82 C ATOM 338 O2' A A 11 -8.889 -6.513 10.347 1.00 1.79 O ATOM 339 C1' A A 11 -11.303 -6.287 10.554 1.00 1.58 C ATOM 340 N9 A A 11 -11.599 -5.707 11.879 1.00 1.58 N ATOM 341 C8 A A 11 -12.126 -6.291 12.983 1.00 1.76 C ATOM 342 N7 A A 11 -12.259 -5.561 14.039 1.00 1.77 N ATOM 343 C5 A A 11 -11.759 -4.332 13.595 1.00 1.56 C ATOM 344 C6 A A 11 -11.604 -3.091 14.221 1.00 1.47 C ATOM 345 N6 A A 11 -11.951 -2.865 15.488 1.00 1.61 N ATOM 346 N1 A A 11 -11.079 -2.093 13.490 1.00 1.27 N ATOM 347 C2 A A 11 -10.726 -2.296 12.219 1.00 1.17 C ATOM 348 N3 A A 11 -10.829 -3.427 11.530 1.00 1.25 N ATOM 349 C4 A A 11 -11.357 -4.413 12.281 1.00 1.44 C ATOM 0 H5' A A 11 -11.731 -10.318 10.133 1.00 2.10 H new ATOM 0 H5'' A A 11 -12.776 -9.313 11.117 1.00 2.10 H new ATOM 0 H4' A A 11 -12.203 -8.310 8.389 1.00 1.81 H new ATOM 0 H3' A A 11 -10.000 -9.256 9.860 1.00 1.91 H new ATOM 0 H2' A A 11 -9.967 -7.641 11.621 1.00 1.82 H new ATOM 0 HO2' A A 11 -8.850 -5.697 10.889 1.00 1.79 H new ATOM 0 H1' A A 11 -11.127 -5.440 9.891 1.00 1.58 H new ATOM 0 H8 A A 11 -12.424 -7.329 12.979 1.00 1.76 H new ATOM 0 H61 A A 11 -11.817 -1.940 15.896 1.00 1.61 H new ATOM 0 H62 A A 11 -12.351 -3.617 16.049 1.00 1.61 H new ATOM 0 H2 A A 11 -10.311 -1.448 11.693 1.00 1.17 H new ATOM 361 P A A 12 -8.420 -8.743 7.874 1.00 2.08 P ATOM 362 OP1 A A 12 -8.849 -10.001 7.223 1.00 2.15 O ATOM 363 OP2 A A 12 -7.480 -8.792 9.017 1.00 2.29 O ATOM 364 O5' A A 12 -7.795 -7.778 6.746 1.00 2.03 O ATOM 365 C5' A A 12 -6.905 -6.714 7.100 1.00 1.88 C ATOM 366 C4' A A 12 -7.611 -5.363 7.070 1.00 1.63 C ATOM 367 O4' A A 12 -8.382 -5.151 8.257 1.00 1.54 O ATOM 368 C3' A A 12 -6.612 -4.218 7.030 1.00 1.56 C ATOM 369 O3' A A 12 -6.221 -3.921 5.682 1.00 1.60 O ATOM 370 C2' A A 12 -7.399 -3.088 7.664 1.00 1.32 C ATOM 371 O2' A A 12 -8.227 -2.424 6.704 1.00 1.19 O ATOM 372 C1' A A 12 -8.237 -3.800 8.718 1.00 1.35 C ATOM 373 N9 A A 12 -7.580 -3.753 10.042 1.00 1.39 N ATOM 374 C8 A A 12 -7.006 -4.750 10.764 1.00 1.56 C ATOM 375 N7 A A 12 -6.498 -4.442 11.909 1.00 1.56 N ATOM 376 C5 A A 12 -6.759 -3.070 11.971 1.00 1.38 C ATOM 377 C6 A A 12 -6.482 -2.097 12.937 1.00 1.30 C ATOM 378 N6 A A 12 -5.857 -2.366 14.084 1.00 1.40 N ATOM 379 N1 A A 12 -6.877 -0.839 12.680 1.00 1.14 N ATOM 380 C2 A A 12 -7.509 -0.549 11.540 1.00 1.06 C ATOM 381 N3 A A 12 -7.821 -1.389 10.559 1.00 1.12 N ATOM 382 C4 A A 12 -7.416 -2.644 10.840 1.00 1.28 C ATOM 0 H5' A A 12 -6.061 -6.700 6.411 1.00 1.88 H new ATOM 0 H5'' A A 12 -6.501 -6.893 8.096 1.00 1.88 H new ATOM 0 H4' A A 12 -8.240 -5.380 6.180 1.00 1.63 H new ATOM 0 H3' A A 12 -5.673 -4.425 7.544 1.00 1.56 H new ATOM 0 H2' A A 12 -6.763 -2.306 8.079 1.00 1.32 H new ATOM 0 HO2' A A 12 -7.932 -2.658 5.799 1.00 1.19 H new ATOM 0 H1' A A 12 -9.207 -3.320 8.846 1.00 1.35 H new ATOM 0 H8 A A 12 -6.976 -5.764 10.393 1.00 1.56 H new ATOM 0 H61 A A 12 -5.679 -1.619 14.755 1.00 1.40 H new ATOM 0 H62 A A 12 -5.557 -3.319 14.290 1.00 1.40 H new ATOM 0 H2 A A 12 -7.798 0.482 11.400 1.00 1.06 H new ATOM 394 P U A 13 -4.669 -3.943 5.252 1.00 1.66 P ATOM 395 OP1 U A 13 -4.597 -4.125 3.784 1.00 1.88 O ATOM 396 OP2 U A 13 -3.950 -4.880 6.146 1.00 1.96 O ATOM 397 O5' U A 13 -4.190 -2.444 5.599 1.00 1.70 O ATOM 398 C5' U A 13 -4.623 -1.336 4.801 1.00 1.79 C ATOM 399 C4' U A 13 -4.979 -0.122 5.660 1.00 1.52 C ATOM 400 O4' U A 13 -5.587 -0.498 6.899 1.00 1.41 O ATOM 401 C3' U A 13 -3.735 0.643 6.082 1.00 1.50 C ATOM 402 O3' U A 13 -3.255 1.477 5.023 1.00 1.64 O ATOM 403 C2' U A 13 -4.252 1.428 7.272 1.00 1.29 C ATOM 404 O2' U A 13 -4.896 2.641 6.862 1.00 1.25 O ATOM 405 C1' U A 13 -5.241 0.461 7.913 1.00 1.23 C ATOM 406 N1 U A 13 -4.642 -0.197 9.096 1.00 1.23 N ATOM 407 C2 U A 13 -4.471 0.568 10.240 1.00 1.18 C ATOM 408 O2 U A 13 -4.795 1.753 10.293 1.00 1.13 O ATOM 409 N3 U A 13 -3.906 -0.079 11.323 1.00 1.21 N ATOM 410 C4 U A 13 -3.504 -1.402 11.366 1.00 1.31 C ATOM 411 O4 U A 13 -3.011 -1.873 12.389 1.00 1.36 O ATOM 412 C5 U A 13 -3.719 -2.125 10.134 1.00 1.36 C ATOM 413 C6 U A 13 -4.271 -1.516 9.058 1.00 1.31 C ATOM 0 H5' U A 13 -5.491 -1.630 4.211 1.00 1.79 H new ATOM 0 H5'' U A 13 -3.836 -1.065 4.097 1.00 1.79 H new ATOM 0 H4' U A 13 -5.649 0.470 5.037 1.00 1.52 H new ATOM 0 H3' U A 13 -2.875 0.019 6.325 1.00 1.50 H new ATOM 0 H2' U A 13 -3.461 1.747 7.951 1.00 1.29 H new ATOM 0 HO2' U A 13 -4.689 2.819 5.921 1.00 1.25 H new ATOM 0 H1' U A 13 -6.129 0.982 8.270 1.00 1.23 H new ATOM 0 H3 U A 13 -3.773 0.472 12.171 1.00 1.21 H new ATOM 0 H5 U A 13 -3.436 -3.165 10.070 1.00 1.36 H new ATOM 0 H6 U A 13 -4.422 -2.082 8.150 1.00 1.31 H new ATOM 424 P C A 14 -1.832 1.178 4.327 1.00 2.17 P ATOM 425 OP1 C A 14 -1.987 1.352 2.866 1.00 2.73 O ATOM 426 OP2 C A 14 -1.308 -0.098 4.865 1.00 2.98 O ATOM 427 O5' C A 14 -0.914 2.377 4.887 1.00 1.77 O ATOM 428 C5' C A 14 -1.013 3.688 4.322 1.00 1.81 C ATOM 429 C4' C A 14 -0.626 4.771 5.327 1.00 1.72 C ATOM 430 O4' C A 14 -1.333 4.620 6.562 1.00 1.63 O ATOM 431 C3' C A 14 0.846 4.679 5.700 1.00 1.69 C ATOM 432 O3' C A 14 1.647 5.364 4.728 1.00 1.84 O ATOM 433 C2' C A 14 0.874 5.320 7.075 1.00 1.60 C ATOM 434 O2' C A 14 1.021 6.742 6.990 1.00 1.72 O ATOM 435 C1' C A 14 -0.477 4.937 7.669 1.00 1.52 C ATOM 436 N1 C A 14 -0.341 3.783 8.587 1.00 1.39 N ATOM 437 C2 C A 14 0.117 4.037 9.875 1.00 1.28 C ATOM 438 O2 C A 14 0.394 5.184 10.220 1.00 1.32 O ATOM 439 N3 C A 14 0.249 2.986 10.729 1.00 1.19 N ATOM 440 C4 C A 14 -0.056 1.741 10.343 1.00 1.22 C ATOM 441 N4 C A 14 0.080 0.737 11.209 1.00 1.18 N ATOM 442 C5 C A 14 -0.527 1.474 9.019 1.00 1.36 C ATOM 443 C6 C A 14 -0.655 2.518 8.179 1.00 1.43 C ATOM 0 H5' C A 14 -2.033 3.859 3.978 1.00 1.81 H new ATOM 0 H5'' C A 14 -0.366 3.756 3.447 1.00 1.81 H new ATOM 0 H4' C A 14 -0.864 5.717 4.840 1.00 1.72 H new ATOM 0 H3' C A 14 1.256 3.669 5.718 1.00 1.69 H new ATOM 0 H2' C A 14 1.716 4.985 7.680 1.00 1.60 H new ATOM 0 HO2' C A 14 1.290 6.989 6.081 1.00 1.72 H new ATOM 0 H1' C A 14 -0.893 5.754 8.259 1.00 1.52 H new ATOM 0 H41 C A 14 -0.150 -0.216 10.926 1.00 1.18 H new ATOM 0 H42 C A 14 0.414 0.921 12.155 1.00 1.18 H new ATOM 0 H5 C A 14 -0.771 0.470 8.704 1.00 1.36 H new ATOM 0 H6 C A 14 -1.010 2.354 7.172 1.00 1.43 H new ATOM 455 P C A 15 2.762 4.564 3.882 1.00 2.25 P ATOM 456 OP1 C A 15 2.963 5.266 2.594 1.00 3.15 O ATOM 457 OP2 C A 15 2.412 3.125 3.889 1.00 2.89 O ATOM 458 O5' C A 15 4.084 4.766 4.784 1.00 1.55 O ATOM 459 C5' C A 15 4.965 5.867 4.547 1.00 1.44 C ATOM 460 C4' C A 15 5.761 6.238 5.798 1.00 1.38 C ATOM 461 O4' C A 15 4.964 6.170 6.985 1.00 1.49 O ATOM 462 C3' C A 15 6.886 5.251 6.043 1.00 1.23 C ATOM 463 O3' C A 15 7.992 5.576 5.195 1.00 1.52 O ATOM 464 C2' C A 15 7.158 5.428 7.523 1.00 1.24 C ATOM 465 O2' C A 15 8.080 6.497 7.759 1.00 1.63 O ATOM 466 C1' C A 15 5.777 5.743 8.090 1.00 1.35 C ATOM 467 N1 C A 15 5.193 4.553 8.746 1.00 1.25 N ATOM 468 C2 C A 15 5.503 4.333 10.081 1.00 1.27 C ATOM 469 O2 C A 15 6.261 5.101 10.674 1.00 1.38 O ATOM 470 N3 C A 15 4.957 3.250 10.702 1.00 1.33 N ATOM 471 C4 C A 15 4.140 2.417 10.041 1.00 1.48 C ATOM 472 N4 C A 15 3.608 1.375 10.682 1.00 1.73 N ATOM 473 C5 C A 15 3.822 2.637 8.664 1.00 1.51 C ATOM 474 C6 C A 15 4.366 3.709 8.059 1.00 1.33 C ATOM 0 H5' C A 15 4.387 6.730 4.215 1.00 1.44 H new ATOM 0 H5'' C A 15 5.653 5.615 3.740 1.00 1.44 H new ATOM 0 H4' C A 15 6.122 7.250 5.613 1.00 1.38 H new ATOM 0 H3' C A 15 6.666 4.209 5.810 1.00 1.23 H new ATOM 0 H2' C A 15 7.618 4.554 7.983 1.00 1.24 H new ATOM 0 HO2' C A 15 8.630 6.637 6.960 1.00 1.63 H new ATOM 0 H1' C A 15 5.838 6.522 8.850 1.00 1.35 H new ATOM 0 H41 C A 15 2.985 0.736 10.188 1.00 1.73 H new ATOM 0 H42 C A 15 3.824 1.217 11.666 1.00 1.73 H new ATOM 0 H5 C A 15 3.168 1.966 8.128 1.00 1.51 H new ATOM 0 H6 C A 15 4.147 3.904 7.020 1.00 1.33 H new ATOM 486 P C A 16 8.635 4.456 4.232 1.00 2.06 P ATOM 487 OP1 C A 16 9.579 5.125 3.309 1.00 2.89 O ATOM 488 OP2 C A 16 7.538 3.626 3.687 1.00 2.88 O ATOM 489 O5' C A 16 9.482 3.553 5.264 1.00 1.62 O ATOM 490 C5' C A 16 10.850 3.862 5.553 1.00 2.17 C ATOM 491 C4' C A 16 11.546 2.721 6.301 1.00 2.40 C ATOM 492 O4' C A 16 11.139 2.647 7.672 1.00 2.16 O ATOM 493 C3' C A 16 11.158 1.364 5.733 1.00 2.41 C ATOM 494 O3' C A 16 11.937 0.995 4.590 1.00 3.04 O ATOM 495 C2' C A 16 11.452 0.434 6.894 1.00 2.48 C ATOM 496 O2' C A 16 12.827 0.029 6.909 1.00 3.18 O ATOM 497 C1' C A 16 11.110 1.277 8.112 1.00 2.06 C ATOM 498 N1 C A 16 9.779 0.916 8.648 1.00 1.43 N ATOM 499 C2 C A 16 9.733 0.061 9.742 1.00 1.34 C ATOM 500 O2 C A 16 10.772 -0.388 10.223 1.00 1.73 O ATOM 501 N3 C A 16 8.513 -0.262 10.254 1.00 1.04 N ATOM 502 C4 C A 16 7.387 0.228 9.716 1.00 1.03 C ATOM 503 N4 C A 16 6.212 -0.096 10.252 1.00 1.39 N ATOM 504 C5 C A 16 7.430 1.103 8.587 1.00 1.02 C ATOM 505 C6 C A 16 8.639 1.420 8.086 1.00 1.15 C ATOM 0 H5' C A 16 10.898 4.772 6.152 1.00 2.17 H new ATOM 0 H5'' C A 16 11.381 4.064 4.623 1.00 2.17 H new ATOM 0 H4' C A 16 12.610 2.934 6.199 1.00 2.40 H new ATOM 0 H3' C A 16 10.127 1.342 5.379 1.00 2.41 H new ATOM 0 H2' C A 16 10.885 -0.495 6.846 1.00 2.48 H new ATOM 0 HO2' C A 16 12.881 -0.943 7.024 1.00 3.18 H new ATOM 0 H1' C A 16 11.821 1.110 8.921 1.00 2.06 H new ATOM 0 H41 C A 16 5.349 0.271 9.850 1.00 1.39 H new ATOM 0 H42 C A 16 6.174 -0.712 11.064 1.00 1.39 H new ATOM 0 H5 C A 16 6.524 1.497 8.151 1.00 1.02 H new ATOM 0 H6 C A 16 8.709 2.078 7.233 1.00 1.15 H new ATOM 517 P C A 17 11.317 0.037 3.454 1.00 3.33 P ATOM 518 OP1 C A 17 11.905 0.429 2.154 1.00 3.23 O ATOM 519 OP2 C A 17 9.844 0.009 3.616 1.00 3.77 O ATOM 520 O5' C A 17 11.898 -1.414 3.867 1.00 3.92 O ATOM 521 C5' C A 17 11.067 -2.354 4.559 1.00 4.12 C ATOM 522 C4' C A 17 11.751 -2.933 5.805 1.00 4.15 C ATOM 523 O4' C A 17 11.397 -2.205 6.986 1.00 3.43 O ATOM 524 C3' C A 17 11.283 -4.357 6.086 1.00 4.52 C ATOM 525 O3' C A 17 12.156 -5.319 5.493 1.00 5.32 O ATOM 526 C2' C A 17 11.291 -4.457 7.606 1.00 4.21 C ATOM 527 O2' C A 17 12.577 -4.848 8.100 1.00 4.66 O ATOM 528 C1' C A 17 10.935 -3.047 8.052 1.00 3.39 C ATOM 529 N1 C A 17 9.471 -2.905 8.274 1.00 2.91 N ATOM 530 C2 C A 17 8.935 -3.479 9.422 1.00 2.90 C ATOM 531 O2 C A 17 9.663 -4.071 10.219 1.00 3.18 O ATOM 532 N3 C A 17 7.594 -3.368 9.635 1.00 2.73 N ATOM 533 C4 C A 17 6.807 -2.721 8.765 1.00 2.63 C ATOM 534 N4 C A 17 5.500 -2.627 9.011 1.00 2.82 N ATOM 535 C5 C A 17 7.350 -2.127 7.585 1.00 2.53 C ATOM 536 C6 C A 17 8.678 -2.241 7.379 1.00 2.66 C ATOM 0 H5' C A 17 10.801 -3.167 3.883 1.00 4.12 H new ATOM 0 H5'' C A 17 10.137 -1.866 4.852 1.00 4.12 H new ATOM 0 H4' C A 17 12.819 -2.882 5.594 1.00 4.15 H new ATOM 0 H3' C A 17 10.300 -4.564 5.662 1.00 4.52 H new ATOM 0 H2' C A 17 10.600 -5.211 7.983 1.00 4.21 H new ATOM 0 HO2' C A 17 13.120 -5.193 7.361 1.00 4.66 H new ATOM 0 HO3' C A 17 11.831 -6.222 5.692 1.00 5.32 H new ATOM 0 H1' C A 17 11.395 -2.784 9.005 1.00 3.39 H new ATOM 0 H41 C A 17 4.892 -2.137 8.355 1.00 2.82 H new ATOM 0 H42 C A 17 5.109 -3.045 9.855 1.00 2.82 H new ATOM 0 H5 C A 17 6.719 -1.604 6.882 1.00 2.53 H new ATOM 0 H6 C A 17 9.121 -1.803 6.497 1.00 2.66 H new TER 549 C A 17 END