USER MOD reduce.3.24.130724 H: found=0, std=0, add=182, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 182 hydrogens (10 hets) HEADER RNA 05-NOV-98 1BZU TITLE STABILIZATION OF THE ANTICODON STEM-LOOP OF TRNALYS, 3 BY TITLE 2 AN A+C BASE PAIR AND BY PSEUDOURIDINE, NMR, 1 STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: TRNA; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: ANTICODON (RESIDUES 27-43); COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES KEYWDS TRNA, PSEUDOURIDINE, ANTICODON EXPDTA SOLUTION NMR AUTHOR P.C.DURANT,D.R.DAVIS REVDAT 3 24-FEB-09 1BZU 1 VERSN REVDAT 2 01-APR-03 1BZU 1 JRNL REVDAT 1 27-APR-99 1BZU 0 JRNL AUTH P.C.DURANT,D.R.DAVIS JRNL TITL STABILIZATION OF THE ANTICODON STEM-LOOP OF JRNL TITL 2 TRNALYS,3 BY AN A+-C BASE-PAIR AND BY JRNL TITL 3 PSEUDOURIDINE. JRNL REF J.MOL.BIOL. V. 285 115 1999 JRNL REFN ISSN 0022-2836 JRNL PMID 9878393 JRNL DOI 10.1006/JMBI.1998.2297 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : DISCOVER 95.0 REMARK 3 AUTHORS : MSI REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: AMBER FORCEFIELD REMARK 4 REMARK 4 1BZU COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303 REMARK 210 PH : 7 REMARK 210 IONIC STRENGTH : 100 MM NACL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : H2O/D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY, ROESY, TOCSY, HMQC, 1H REMARK 210 -31P COSY, 1H-31P HETERO-TOCSY REMARK 210 -TOCSY, DQCOSY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : UNITY 500 REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : VNMR, FELIX, DISCOVER REMARK 210 METHOD USED : MOLECULAR DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 32 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : LEAST RESTRAINT VIOLATION REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: LOWEST RMSD DIFFERENCE FROM AVERAGE STRUCTURE. REMARK 210 STRUCTURE WAS DETERMINED USING RESTRAINTS FROM HOMONUCLEAR REMARK 210 ROESY, DQCOSY AND NOESY DATA. ASSIGNMENTS WERE MADE WITH A REMARK 210 COMBINATION OF ROESY, NOESY, TOCSY, 1H-13C HMQC AND 1H-31P. 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 28 O4' - C1' - N1 ANGL. DEV. = 5.2 DEGREES REMARK 500 A A 31 O4' - C1' - N9 ANGL. DEV. = 5.6 DEGREES REMARK 500 A A 37 C3' - C2' - C1' ANGL. DEV. = 6.2 DEGREES REMARK 500 A A 37 O4' - C1' - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 C A 40 O4' - C1' - N1 ANGL. DEV. = 4.4 DEGREES REMARK 500 U A 41 O4' - C1' - N1 ANGL. DEV. = 4.5 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 37 0.06 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL DBREF 1BZU A 27 43 PDB 1BZU 1BZU 27 43 SEQRES 1 A 17 U C A G A C U U U U A A PSU SEQRES 2 A 17 C U G A MODRES 1BZU PSU A 39 U PSEUDOURIDINE-5'-MONOPHOSPHATE HET PSU A 39 30 HETNAM PSU PSEUDOURIDINE-5'-MONOPHOSPHATE FORMUL 1 PSU C9 H13 N2 O9 P LINK O3' PSU A 39 P C A 40 1555 1555 1.62 LINK P PSU A 39 O3' A A 38 1555 1555 1.62 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 27 U O2' : rot -119:sc= 1.16 USER MOD Single : A 27 U O5' : rot 180:sc= 0 USER MOD Single : A 28 C O2' : rot -18:sc= 0.0747 USER MOD Single : A 29 A O2' : rot -134:sc= 0.564 USER MOD Single : A 30 G O2' : rot -24:sc= 0.1 USER MOD Single : A 31 A O2' : rot -14:sc= 0.225 USER MOD Single : A 32 C O2' : rot -18:sc= 0.411 USER MOD Single : A 33 U O2' : rot -71:sc= 0.716 USER MOD Single : A 34 U O2' : rot 12:sc= 0.538 USER MOD Single : A 35 U O2' : rot -161:sc= 0.925 USER MOD Single : A 36 U O2' : rot -4:sc= 0.668 USER MOD Single : A 37 A O2' : rot -111:sc= 1.05 USER MOD Single : A 38 A O2' : rot -34:sc= 0.147 USER MOD Single : A 39 PSU O2' : rot -128:sc= 0.0974 USER MOD Single : A 40 C O2' : rot -24:sc= 0.0997 USER MOD Single : A 41 U O2' : rot -116:sc= 0.348 USER MOD Single : A 42 G O2' : rot -20:sc= 0.148 USER MOD Single : A 43 A O2' : rot -12:sc= 0.269 USER MOD Single : A 43 A O3' : rot 180:sc= 0.227 USER MOD ----------------------------------------------------------------- ATOM 1 O5' U A 27 4.868 -4.951 2.052 1.00 0.00 O ATOM 2 C5' U A 27 6.204 -5.361 1.866 1.00 0.00 C ATOM 3 C4' U A 27 7.182 -4.277 2.321 1.00 0.00 C ATOM 4 O4' U A 27 7.027 -3.073 1.584 1.00 0.00 O ATOM 5 C3' U A 27 7.040 -3.908 3.795 1.00 0.00 C ATOM 6 O3' U A 27 7.664 -4.895 4.599 1.00 0.00 O ATOM 7 C2' U A 27 7.745 -2.557 3.781 1.00 0.00 C ATOM 8 O2' U A 27 9.140 -2.750 3.857 1.00 0.00 O ATOM 9 C1' U A 27 7.396 -1.974 2.409 1.00 0.00 C ATOM 10 N1 U A 27 6.306 -0.960 2.495 1.00 0.00 N ATOM 11 C2 U A 27 6.637 0.390 2.496 1.00 0.00 C ATOM 12 O2 U A 27 7.781 0.815 2.351 1.00 0.00 O ATOM 13 N3 U A 27 5.591 1.277 2.680 1.00 0.00 N ATOM 14 C4 U A 27 4.261 0.959 2.867 1.00 0.00 C ATOM 15 O4 U A 27 3.440 1.838 3.123 1.00 0.00 O ATOM 16 C5 U A 27 3.988 -0.451 2.739 1.00 0.00 C ATOM 17 C6 U A 27 4.994 -1.337 2.565 1.00 0.00 C ATOM 0 H5' U A 27 6.374 -5.590 0.814 1.00 0.00 H new ATOM 0 H5'' U A 27 6.387 -6.278 2.426 1.00 0.00 H new ATOM 0 H4' U A 27 8.162 -4.720 2.147 1.00 0.00 H new ATOM 0 H3' U A 27 6.033 -3.856 4.208 1.00 0.00 H new ATOM 0 H2' U A 27 7.447 -1.917 4.611 1.00 0.00 H new ATOM 0 HO2' U A 27 9.487 -2.315 4.664 1.00 0.00 H new ATOM 0 HO5' U A 27 4.263 -5.661 1.752 1.00 0.00 H new ATOM 0 H1' U A 27 8.251 -1.443 1.990 1.00 0.00 H new ATOM 0 H3 U A 27 5.827 2.269 2.677 1.00 0.00 H new ATOM 0 H5 U A 27 2.968 -0.803 2.783 1.00 0.00 H new ATOM 0 H6 U A 27 4.751 -2.386 2.478 1.00 0.00 H new ATOM 29 P C A 28 7.335 -5.076 6.175 1.00 0.00 P ATOM 30 OP1 C A 28 7.937 -6.352 6.622 1.00 0.00 O ATOM 31 OP2 C A 28 5.892 -4.833 6.394 1.00 0.00 O ATOM 32 O5' C A 28 8.156 -3.881 6.865 1.00 0.00 O ATOM 33 C5' C A 28 9.560 -3.936 6.935 1.00 0.00 C ATOM 34 C4' C A 28 10.096 -2.530 7.173 1.00 0.00 C ATOM 35 O4' C A 28 9.417 -1.626 6.323 1.00 0.00 O ATOM 36 C3' C A 28 9.890 -1.980 8.580 1.00 0.00 C ATOM 37 O3' C A 28 10.814 -2.494 9.518 1.00 0.00 O ATOM 38 C2' C A 28 10.119 -0.509 8.286 1.00 0.00 C ATOM 39 O2' C A 28 11.495 -0.221 8.160 1.00 0.00 O ATOM 40 C1' C A 28 9.432 -0.347 6.932 1.00 0.00 C ATOM 41 N1 C A 28 8.078 0.241 7.119 1.00 0.00 N ATOM 42 C2 C A 28 8.017 1.605 7.370 1.00 0.00 C ATOM 43 O2 C A 28 9.047 2.261 7.513 1.00 0.00 O ATOM 44 N3 C A 28 6.798 2.195 7.461 1.00 0.00 N ATOM 45 C4 C A 28 5.672 1.484 7.353 1.00 0.00 C ATOM 46 N4 C A 28 4.495 2.121 7.424 1.00 0.00 N ATOM 47 C5 C A 28 5.711 0.065 7.179 1.00 0.00 C ATOM 48 C6 C A 28 6.930 -0.505 7.068 1.00 0.00 C ATOM 0 H5' C A 28 9.968 -4.344 6.010 1.00 0.00 H new ATOM 0 H5'' C A 28 9.872 -4.600 7.741 1.00 0.00 H new ATOM 0 H4' C A 28 11.167 -2.615 6.989 1.00 0.00 H new ATOM 0 H3' C A 28 8.934 -2.229 9.041 1.00 0.00 H new ATOM 0 H2' C A 28 9.745 0.151 9.069 1.00 0.00 H new ATOM 0 HO2' C A 28 12.019 -0.944 8.564 1.00 0.00 H new ATOM 0 H1' C A 28 9.962 0.344 6.276 1.00 0.00 H new ATOM 0 H41 C A 28 3.625 1.595 7.344 1.00 0.00 H new ATOM 0 H42 C A 28 4.469 3.132 7.558 1.00 0.00 H new ATOM 0 H5 C A 28 4.807 -0.524 7.138 1.00 0.00 H new ATOM 0 H6 C A 28 7.002 -1.574 6.936 1.00 0.00 H new ATOM 60 P A A 29 10.547 -2.373 11.108 1.00 0.00 P ATOM 61 OP1 A A 29 11.671 -3.034 11.809 1.00 0.00 O ATOM 62 OP2 A A 29 9.161 -2.816 11.375 1.00 0.00 O ATOM 63 O5' A A 29 10.633 -0.794 11.422 1.00 0.00 O ATOM 64 C5' A A 29 11.883 -0.152 11.546 1.00 0.00 C ATOM 65 C4' A A 29 11.678 1.328 11.861 1.00 0.00 C ATOM 66 O4' A A 29 10.862 1.942 10.884 1.00 0.00 O ATOM 67 C3' A A 29 10.978 1.589 13.193 1.00 0.00 C ATOM 68 O3' A A 29 11.822 1.427 14.316 1.00 0.00 O ATOM 69 C2' A A 29 10.600 3.040 12.974 1.00 0.00 C ATOM 70 O2' A A 29 11.706 3.882 13.209 1.00 0.00 O ATOM 71 C1' A A 29 10.251 3.063 11.495 1.00 0.00 C ATOM 72 N9 A A 29 8.798 3.021 11.348 1.00 0.00 N ATOM 73 C8 A A 29 7.965 1.995 11.030 1.00 0.00 C ATOM 74 N7 A A 29 6.720 2.358 10.854 1.00 0.00 N ATOM 75 C5 A A 29 6.749 3.738 11.059 1.00 0.00 C ATOM 76 C6 A A 29 5.792 4.765 10.968 1.00 0.00 C ATOM 77 N6 A A 29 4.505 4.552 10.663 1.00 0.00 N ATOM 78 N1 A A 29 6.224 6.025 11.158 1.00 0.00 N ATOM 79 C2 A A 29 7.501 6.231 11.455 1.00 0.00 C ATOM 80 N3 A A 29 8.469 5.369 11.606 1.00 0.00 N ATOM 81 C4 A A 29 8.016 4.129 11.376 1.00 0.00 C ATOM 0 H5' A A 29 12.451 -0.261 10.622 1.00 0.00 H new ATOM 0 H5'' A A 29 12.467 -0.624 12.336 1.00 0.00 H new ATOM 0 H4' A A 29 12.688 1.736 11.889 1.00 0.00 H new ATOM 0 H3' A A 29 10.159 0.906 13.419 1.00 0.00 H new ATOM 0 H2' A A 29 9.801 3.383 13.631 1.00 0.00 H new ATOM 0 HO2' A A 29 11.428 4.639 13.766 1.00 0.00 H new ATOM 0 H1' A A 29 10.613 3.972 11.015 1.00 0.00 H new ATOM 0 H8 A A 29 8.300 0.973 10.932 1.00 0.00 H new ATOM 0 H61 A A 29 3.856 5.337 10.612 1.00 0.00 H new ATOM 0 H62 A A 29 4.174 3.604 10.482 1.00 0.00 H new ATOM 0 H2 A A 29 7.780 7.265 11.592 1.00 0.00 H new ATOM 93 P G A 30 11.223 1.427 15.819 1.00 0.00 P ATOM 94 OP1 G A 30 12.337 1.158 16.756 1.00 0.00 O ATOM 95 OP2 G A 30 10.030 0.551 15.832 1.00 0.00 O ATOM 96 O5' G A 30 10.728 2.943 16.063 1.00 0.00 O ATOM 97 C5' G A 30 11.645 3.961 16.399 1.00 0.00 C ATOM 98 C4' G A 30 10.977 5.328 16.254 1.00 0.00 C ATOM 99 O4' G A 30 10.147 5.343 15.108 1.00 0.00 O ATOM 100 C3' G A 30 10.078 5.759 17.411 1.00 0.00 C ATOM 101 O3' G A 30 10.803 6.265 18.511 1.00 0.00 O ATOM 102 C2' G A 30 9.290 6.852 16.708 1.00 0.00 C ATOM 103 O2' G A 30 10.085 8.007 16.545 1.00 0.00 O ATOM 104 C1' G A 30 9.061 6.225 15.338 1.00 0.00 C ATOM 105 N9 G A 30 7.768 5.509 15.337 1.00 0.00 N ATOM 106 C8 G A 30 7.488 4.165 15.400 1.00 0.00 C ATOM 107 N7 G A 30 6.215 3.887 15.359 1.00 0.00 N ATOM 108 C5 G A 30 5.604 5.132 15.266 1.00 0.00 C ATOM 109 C6 G A 30 4.226 5.462 15.189 1.00 0.00 C ATOM 110 O6 G A 30 3.258 4.705 15.176 1.00 0.00 O ATOM 111 N1 G A 30 4.041 6.835 15.127 1.00 0.00 N ATOM 112 C2 G A 30 5.047 7.777 15.126 1.00 0.00 C ATOM 113 N2 G A 30 4.669 9.061 15.059 1.00 0.00 N ATOM 114 N3 G A 30 6.345 7.466 15.189 1.00 0.00 N ATOM 115 C4 G A 30 6.545 6.129 15.259 1.00 0.00 C ATOM 0 H5' G A 30 12.520 3.903 15.752 1.00 0.00 H new ATOM 0 H5'' G A 30 11.996 3.824 17.422 1.00 0.00 H new ATOM 0 H4' G A 30 11.821 6.016 16.205 1.00 0.00 H new ATOM 0 H3' G A 30 9.489 4.957 17.855 1.00 0.00 H new ATOM 0 H2' G A 30 8.389 7.154 17.242 1.00 0.00 H new ATOM 0 HO2' G A 30 10.792 8.016 17.224 1.00 0.00 H new ATOM 0 H1' G A 30 9.016 6.973 14.546 1.00 0.00 H new ATOM 0 H8 G A 30 8.254 3.407 15.477 1.00 0.00 H new ATOM 0 H1 G A 30 3.081 7.176 15.078 1.00 0.00 H new ATOM 0 H21 G A 30 5.372 9.800 15.055 1.00 0.00 H new ATOM 0 H22 G A 30 3.678 9.299 15.012 1.00 0.00 H new ATOM 127 P A A 31 10.128 6.338 19.975 1.00 0.00 P ATOM 128 OP1 A A 31 11.089 6.990 20.893 1.00 0.00 O ATOM 129 OP2 A A 31 9.606 4.991 20.300 1.00 0.00 O ATOM 130 O5' A A 31 8.869 7.325 19.788 1.00 0.00 O ATOM 131 C5' A A 31 9.028 8.727 19.834 1.00 0.00 C ATOM 132 C4' A A 31 7.672 9.407 19.651 1.00 0.00 C ATOM 133 O4' A A 31 7.031 8.968 18.466 1.00 0.00 O ATOM 134 C3' A A 31 6.701 9.114 20.787 1.00 0.00 C ATOM 135 O3' A A 31 6.908 9.960 21.903 1.00 0.00 O ATOM 136 C2' A A 31 5.395 9.449 20.096 1.00 0.00 C ATOM 137 O2' A A 31 5.094 10.820 20.217 1.00 0.00 O ATOM 138 C1' A A 31 5.630 9.117 18.638 1.00 0.00 C ATOM 139 N9 A A 31 4.859 7.902 18.351 1.00 0.00 N ATOM 140 C8 A A 31 5.322 6.632 18.385 1.00 0.00 C ATOM 141 N7 A A 31 4.426 5.718 18.135 1.00 0.00 N ATOM 142 C5 A A 31 3.254 6.455 17.983 1.00 0.00 C ATOM 143 C6 A A 31 1.917 6.083 17.764 1.00 0.00 C ATOM 144 N6 A A 31 1.531 4.820 17.539 1.00 0.00 N ATOM 145 N1 A A 31 0.989 7.049 17.827 1.00 0.00 N ATOM 146 C2 A A 31 1.366 8.300 18.052 1.00 0.00 C ATOM 147 N3 A A 31 2.587 8.787 18.215 1.00 0.00 N ATOM 148 C4 A A 31 3.500 7.790 18.165 1.00 0.00 C ATOM 0 H5' A A 31 9.716 9.050 19.053 1.00 0.00 H new ATOM 0 H5'' A A 31 9.467 9.021 20.787 1.00 0.00 H new ATOM 0 H4' A A 31 7.900 10.472 19.618 1.00 0.00 H new ATOM 0 H3' A A 31 6.779 8.108 21.199 1.00 0.00 H new ATOM 0 H2' A A 31 4.562 8.897 20.532 1.00 0.00 H new ATOM 0 HO2' A A 31 5.670 11.222 20.901 1.00 0.00 H new ATOM 0 H1' A A 31 5.300 9.887 17.941 1.00 0.00 H new ATOM 0 H8 A A 31 6.353 6.393 18.602 1.00 0.00 H new ATOM 0 H61 A A 31 0.545 4.608 17.386 1.00 0.00 H new ATOM 0 H62 A A 31 2.223 4.071 17.521 1.00 0.00 H new ATOM 0 H2 A A 31 0.566 9.023 18.111 1.00 0.00 H new ATOM 160 P C A 32 6.362 9.569 23.374 1.00 0.00 P ATOM 161 OP1 C A 32 6.574 10.731 24.265 1.00 0.00 O ATOM 162 OP2 C A 32 6.949 8.258 23.733 1.00 0.00 O ATOM 163 O5' C A 32 4.772 9.362 23.197 1.00 0.00 O ATOM 164 C5' C A 32 3.857 10.433 23.289 1.00 0.00 C ATOM 165 C4' C A 32 2.452 9.913 22.976 1.00 0.00 C ATOM 166 O4' C A 32 2.430 9.182 21.767 1.00 0.00 O ATOM 167 C3' C A 32 1.916 8.983 24.056 1.00 0.00 C ATOM 168 O3' C A 32 1.286 9.775 25.044 1.00 0.00 O ATOM 169 C2' C A 32 0.891 8.177 23.271 1.00 0.00 C ATOM 170 O2' C A 32 -0.354 8.837 23.320 1.00 0.00 O ATOM 171 C1' C A 32 1.408 8.199 21.829 1.00 0.00 C ATOM 172 N1 C A 32 1.930 6.857 21.451 1.00 0.00 N ATOM 173 C2 C A 32 1.059 5.943 20.870 1.00 0.00 C ATOM 174 O2 C A 32 -0.143 6.183 20.774 1.00 0.00 O ATOM 175 N3 C A 32 1.570 4.769 20.411 1.00 0.00 N ATOM 176 C4 C A 32 2.872 4.480 20.527 1.00 0.00 C ATOM 177 N4 C A 32 3.327 3.316 20.043 1.00 0.00 N ATOM 178 C5 C A 32 3.768 5.374 21.192 1.00 0.00 C ATOM 179 C6 C A 32 3.245 6.531 21.641 1.00 0.00 C ATOM 0 H5' C A 32 4.131 11.224 22.590 1.00 0.00 H new ATOM 0 H5'' C A 32 3.884 10.867 24.288 1.00 0.00 H new ATOM 0 H4' C A 32 1.829 10.805 22.910 1.00 0.00 H new ATOM 0 H3' C A 32 2.656 8.364 24.564 1.00 0.00 H new ATOM 0 H2' C A 32 0.763 7.167 23.661 1.00 0.00 H new ATOM 0 HO2' C A 32 -0.353 9.483 24.057 1.00 0.00 H new ATOM 0 H1' C A 32 0.609 8.442 21.128 1.00 0.00 H new ATOM 0 H41 C A 32 4.316 3.082 20.124 1.00 0.00 H new ATOM 0 H42 C A 32 2.684 2.664 19.594 1.00 0.00 H new ATOM 0 H5 C A 32 4.812 5.133 21.327 1.00 0.00 H new ATOM 0 H6 C A 32 3.884 7.224 22.168 1.00 0.00 H new ATOM 191 P U A 33 1.488 9.498 26.616 1.00 0.00 P ATOM 192 OP1 U A 33 0.808 10.577 27.367 1.00 0.00 O ATOM 193 OP2 U A 33 2.923 9.228 26.857 1.00 0.00 O ATOM 194 O5' U A 33 0.672 8.136 26.855 1.00 0.00 O ATOM 195 C5' U A 33 -0.723 8.136 27.088 1.00 0.00 C ATOM 196 C4' U A 33 -1.170 6.690 27.305 1.00 0.00 C ATOM 197 O4' U A 33 -0.704 5.913 26.222 1.00 0.00 O ATOM 198 C3' U A 33 -0.549 6.056 28.544 1.00 0.00 C ATOM 199 O3' U A 33 -1.231 6.359 29.745 1.00 0.00 O ATOM 200 C2' U A 33 -0.588 4.583 28.177 1.00 0.00 C ATOM 201 O2' U A 33 -1.791 4.050 28.648 1.00 0.00 O ATOM 202 C1' U A 33 -0.634 4.566 26.649 1.00 0.00 C ATOM 203 N1 U A 33 0.653 3.993 26.176 1.00 0.00 N ATOM 204 C2 U A 33 0.707 2.652 25.818 1.00 0.00 C ATOM 205 O2 U A 33 -0.280 1.920 25.802 1.00 0.00 O ATOM 206 N3 U A 33 1.960 2.158 25.480 1.00 0.00 N ATOM 207 C4 U A 33 3.154 2.863 25.502 1.00 0.00 C ATOM 208 O4 U A 33 4.211 2.319 25.189 1.00 0.00 O ATOM 209 C5 U A 33 3.011 4.236 25.921 1.00 0.00 C ATOM 210 C6 U A 33 1.800 4.743 26.230 1.00 0.00 C ATOM 0 H5' U A 33 -1.250 8.574 26.240 1.00 0.00 H new ATOM 0 H5'' U A 33 -0.963 8.743 27.961 1.00 0.00 H new ATOM 0 H4' U A 33 -2.255 6.712 27.406 1.00 0.00 H new ATOM 0 H3' U A 33 0.451 6.427 28.768 1.00 0.00 H new ATOM 0 H2' U A 33 0.252 4.022 28.586 1.00 0.00 H new ATOM 0 HO2' U A 33 -1.762 3.991 29.626 1.00 0.00 H new ATOM 0 H1' U A 33 -1.478 3.990 26.271 1.00 0.00 H new ATOM 0 H3 U A 33 2.007 1.182 25.187 1.00 0.00 H new ATOM 0 H5 U A 33 3.885 4.866 25.988 1.00 0.00 H new ATOM 0 H6 U A 33 1.731 5.778 26.531 1.00 0.00 H new ATOM 221 P U A 34 -0.646 5.886 31.179 1.00 0.00 P ATOM 222 OP1 U A 34 -1.148 6.825 32.206 1.00 0.00 O ATOM 223 OP2 U A 34 0.811 5.658 31.049 1.00 0.00 O ATOM 224 O5' U A 34 -1.347 4.462 31.438 1.00 0.00 O ATOM 225 C5' U A 34 -2.487 4.376 32.264 1.00 0.00 C ATOM 226 C4' U A 34 -3.126 2.982 32.367 1.00 0.00 C ATOM 227 O4' U A 34 -4.399 3.087 31.776 1.00 0.00 O ATOM 228 C3' U A 34 -2.433 1.780 31.705 1.00 0.00 C ATOM 229 O3' U A 34 -1.852 0.937 32.682 1.00 0.00 O ATOM 230 C2' U A 34 -3.546 1.039 30.981 1.00 0.00 C ATOM 231 O2' U A 34 -3.672 -0.252 31.526 1.00 0.00 O ATOM 232 C1' U A 34 -4.811 1.816 31.329 1.00 0.00 C ATOM 233 N1 U A 34 -5.590 2.064 30.093 1.00 0.00 N ATOM 234 C2 U A 34 -6.860 1.519 29.954 1.00 0.00 C ATOM 235 O2 U A 34 -7.362 0.756 30.777 1.00 0.00 O ATOM 236 N3 U A 34 -7.556 1.884 28.811 1.00 0.00 N ATOM 237 C4 U A 34 -7.101 2.730 27.811 1.00 0.00 C ATOM 238 O4 U A 34 -7.811 2.996 26.843 1.00 0.00 O ATOM 239 C5 U A 34 -5.765 3.230 28.029 1.00 0.00 C ATOM 240 C6 U A 34 -5.068 2.894 29.135 1.00 0.00 C ATOM 0 H5' U A 34 -3.237 5.074 31.892 1.00 0.00 H new ATOM 0 H5'' U A 34 -2.214 4.706 33.266 1.00 0.00 H new ATOM 0 H4' U A 34 -3.082 2.750 33.431 1.00 0.00 H new ATOM 0 H3' U A 34 -1.631 2.093 31.036 1.00 0.00 H new ATOM 0 H2' U A 34 -3.362 0.961 29.909 1.00 0.00 H new ATOM 0 HO2' U A 34 -3.160 -0.306 32.360 1.00 0.00 H new ATOM 0 H1' U A 34 -5.399 1.264 32.063 1.00 0.00 H new ATOM 0 H3 U A 34 -8.491 1.493 28.695 1.00 0.00 H new ATOM 0 H5 U A 34 -5.316 3.883 27.296 1.00 0.00 H new ATOM 0 H6 U A 34 -4.072 3.290 29.269 1.00 0.00 H new ATOM 251 P U A 35 -0.397 0.256 32.472 1.00 0.00 P ATOM 252 OP1 U A 35 0.034 -0.285 33.781 1.00 0.00 O ATOM 253 OP2 U A 35 0.474 1.225 31.770 1.00 0.00 O ATOM 254 O5' U A 35 -0.653 -0.994 31.479 1.00 0.00 O ATOM 255 C5' U A 35 -1.103 -2.237 31.979 1.00 0.00 C ATOM 256 C4' U A 35 -1.129 -3.287 30.867 1.00 0.00 C ATOM 257 O4' U A 35 -1.701 -4.466 31.397 1.00 0.00 O ATOM 258 C3' U A 35 -1.967 -2.865 29.660 1.00 0.00 C ATOM 259 O3' U A 35 -1.140 -2.719 28.517 1.00 0.00 O ATOM 260 C2' U A 35 -2.998 -3.961 29.488 1.00 0.00 C ATOM 261 O2' U A 35 -2.856 -4.521 28.210 1.00 0.00 O ATOM 262 C1' U A 35 -2.562 -5.056 30.444 1.00 0.00 C ATOM 263 N1 U A 35 -3.731 -5.543 31.217 1.00 0.00 N ATOM 264 C2 U A 35 -4.103 -6.880 31.143 1.00 0.00 C ATOM 265 O2 U A 35 -3.589 -7.682 30.367 1.00 0.00 O ATOM 266 N3 U A 35 -5.107 -7.280 32.013 1.00 0.00 N ATOM 267 C4 U A 35 -5.754 -6.481 32.943 1.00 0.00 C ATOM 268 O4 U A 35 -6.619 -6.950 33.678 1.00 0.00 O ATOM 269 C5 U A 35 -5.316 -5.105 32.941 1.00 0.00 C ATOM 270 C6 U A 35 -4.344 -4.688 32.097 1.00 0.00 C ATOM 0 H5' U A 35 -2.100 -2.125 32.404 1.00 0.00 H new ATOM 0 H5'' U A 35 -0.449 -2.569 32.785 1.00 0.00 H new ATOM 0 H4' U A 35 -0.104 -3.428 30.525 1.00 0.00 H new ATOM 0 H3' U A 35 -2.452 -1.899 29.800 1.00 0.00 H new ATOM 0 H2' U A 35 -4.009 -3.586 29.647 1.00 0.00 H new ATOM 0 HO2' U A 35 -3.677 -5.000 27.969 1.00 0.00 H new ATOM 0 H1' U A 35 -2.097 -5.865 29.880 1.00 0.00 H new ATOM 0 H3 U A 35 -5.397 -8.257 31.964 1.00 0.00 H new ATOM 0 H5 U A 35 -5.770 -4.400 33.622 1.00 0.00 H new ATOM 0 H6 U A 35 -4.042 -3.651 32.117 1.00 0.00 H new ATOM 281 P U A 36 -1.592 -1.862 27.216 1.00 0.00 P ATOM 282 OP1 U A 36 -0.372 -1.290 26.604 1.00 0.00 O ATOM 283 OP2 U A 36 -2.701 -0.962 27.607 1.00 0.00 O ATOM 284 O5' U A 36 -2.182 -2.953 26.190 1.00 0.00 O ATOM 285 C5' U A 36 -1.323 -3.799 25.455 1.00 0.00 C ATOM 286 C4' U A 36 -2.131 -4.894 24.754 1.00 0.00 C ATOM 287 O4' U A 36 -2.865 -5.604 25.723 1.00 0.00 O ATOM 288 C3' U A 36 -3.133 -4.360 23.730 1.00 0.00 C ATOM 289 O3' U A 36 -2.678 -4.537 22.406 1.00 0.00 O ATOM 290 C2' U A 36 -4.378 -5.208 23.956 1.00 0.00 C ATOM 291 O2' U A 36 -4.615 -5.996 22.811 1.00 0.00 O ATOM 292 C1' U A 36 -4.006 -6.151 25.100 1.00 0.00 C ATOM 293 N1 U A 36 -5.089 -6.153 26.112 1.00 0.00 N ATOM 294 C2 U A 36 -5.827 -7.309 26.337 1.00 0.00 C ATOM 295 O2 U A 36 -5.658 -8.352 25.708 1.00 0.00 O ATOM 296 N3 U A 36 -6.793 -7.230 27.330 1.00 0.00 N ATOM 297 C4 U A 36 -7.088 -6.115 28.099 1.00 0.00 C ATOM 298 O4 U A 36 -7.966 -6.160 28.958 1.00 0.00 O ATOM 299 C5 U A 36 -6.288 -4.956 27.782 1.00 0.00 C ATOM 300 C6 U A 36 -5.335 -5.011 26.828 1.00 0.00 C ATOM 0 H5' U A 36 -0.588 -4.250 26.121 1.00 0.00 H new ATOM 0 H5'' U A 36 -0.770 -3.216 24.718 1.00 0.00 H new ATOM 0 H4' U A 36 -1.410 -5.517 24.224 1.00 0.00 H new ATOM 0 H3' U A 36 -3.299 -3.290 23.855 1.00 0.00 H new ATOM 0 H2' U A 36 -5.257 -4.598 24.165 1.00 0.00 H new ATOM 0 HO2' U A 36 -3.964 -5.766 22.115 1.00 0.00 H new ATOM 0 H1' U A 36 -3.840 -7.160 24.722 1.00 0.00 H new ATOM 0 H3 U A 36 -7.338 -8.073 27.511 1.00 0.00 H new ATOM 0 H5 U A 36 -6.454 -4.032 28.316 1.00 0.00 H new ATOM 0 H6 U A 36 -4.748 -4.128 26.623 1.00 0.00 H new ATOM 311 P A A 37 -2.494 -3.280 21.409 1.00 0.00 P ATOM 312 OP1 A A 37 -2.293 -3.809 20.042 1.00 0.00 O ATOM 313 OP2 A A 37 -1.477 -2.384 22.001 1.00 0.00 O ATOM 314 O5' A A 37 -3.907 -2.503 21.437 1.00 0.00 O ATOM 315 C5' A A 37 -5.066 -3.057 20.855 1.00 0.00 C ATOM 316 C4' A A 37 -6.182 -2.017 20.908 1.00 0.00 C ATOM 317 O4' A A 37 -6.321 -1.517 22.229 1.00 0.00 O ATOM 318 C3' A A 37 -5.897 -0.841 19.974 1.00 0.00 C ATOM 319 O3' A A 37 -6.533 -1.110 18.732 1.00 0.00 O ATOM 320 C2' A A 37 -6.529 0.293 20.735 1.00 0.00 C ATOM 321 O2' A A 37 -7.759 0.675 20.173 1.00 0.00 O ATOM 322 C1' A A 37 -6.706 -0.157 22.164 1.00 0.00 C ATOM 323 N9 A A 37 -5.894 0.709 23.022 1.00 0.00 N ATOM 324 C8 A A 37 -4.665 0.471 23.548 1.00 0.00 C ATOM 325 N7 A A 37 -4.134 1.502 24.150 1.00 0.00 N ATOM 326 C5 A A 37 -5.094 2.502 23.994 1.00 0.00 C ATOM 327 C6 A A 37 -5.134 3.865 24.331 1.00 0.00 C ATOM 328 N6 A A 37 -4.132 4.500 24.955 1.00 0.00 N ATOM 329 N1 A A 37 -6.221 4.562 23.961 1.00 0.00 N ATOM 330 C2 A A 37 -7.197 3.943 23.310 1.00 0.00 C ATOM 331 N3 A A 37 -7.285 2.680 22.940 1.00 0.00 N ATOM 332 C4 A A 37 -6.180 2.011 23.326 1.00 0.00 C ATOM 0 H5' A A 37 -5.364 -3.959 21.390 1.00 0.00 H new ATOM 0 H5'' A A 37 -4.869 -3.348 19.823 1.00 0.00 H new ATOM 0 H4' A A 37 -7.100 -2.510 20.589 1.00 0.00 H new ATOM 0 H3' A A 37 -4.853 -0.638 19.734 1.00 0.00 H new ATOM 0 H2' A A 37 -5.885 1.171 20.688 1.00 0.00 H new ATOM 0 HO2' A A 37 -7.672 1.563 19.767 1.00 0.00 H new ATOM 0 H1' A A 37 -7.737 -0.079 22.509 1.00 0.00 H new ATOM 0 H8 A A 37 -4.170 -0.486 23.475 1.00 0.00 H new ATOM 0 H61 A A 37 -4.216 5.492 25.175 1.00 0.00 H new ATOM 0 H62 A A 37 -3.286 3.991 25.210 1.00 0.00 H new ATOM 0 H2 A A 37 -8.041 4.562 23.045 1.00 0.00 H new ATOM 344 P A A 38 -6.256 -0.252 17.387 1.00 0.00 P ATOM 345 OP1 A A 38 -6.829 -0.997 16.244 1.00 0.00 O ATOM 346 OP2 A A 38 -4.826 0.133 17.366 1.00 0.00 O ATOM 347 O5' A A 38 -7.108 1.098 17.567 1.00 0.00 O ATOM 348 C5' A A 38 -8.484 1.202 17.281 1.00 0.00 C ATOM 349 C4' A A 38 -8.922 2.628 17.643 1.00 0.00 C ATOM 350 O4' A A 38 -8.569 2.909 18.991 1.00 0.00 O ATOM 351 C3' A A 38 -8.238 3.721 16.824 1.00 0.00 C ATOM 352 O3' A A 38 -8.812 4.000 15.563 1.00 0.00 O ATOM 353 C2' A A 38 -8.438 4.900 17.750 1.00 0.00 C ATOM 354 O2' A A 38 -9.746 5.413 17.636 1.00 0.00 O ATOM 355 C1' A A 38 -8.253 4.285 19.134 1.00 0.00 C ATOM 356 N9 A A 38 -6.837 4.496 19.491 1.00 0.00 N ATOM 357 C8 A A 38 -5.756 3.674 19.322 1.00 0.00 C ATOM 358 N7 A A 38 -4.616 4.205 19.668 1.00 0.00 N ATOM 359 C5 A A 38 -4.962 5.493 20.059 1.00 0.00 C ATOM 360 C6 A A 38 -4.204 6.597 20.483 1.00 0.00 C ATOM 361 N6 A A 38 -2.875 6.574 20.650 1.00 0.00 N ATOM 362 N1 A A 38 -4.882 7.732 20.686 1.00 0.00 N ATOM 363 C2 A A 38 -6.191 7.790 20.508 1.00 0.00 C ATOM 364 N3 A A 38 -7.010 6.822 20.139 1.00 0.00 N ATOM 365 C4 A A 38 -6.312 5.683 19.931 1.00 0.00 C ATOM 0 H5' A A 38 -9.052 0.469 17.854 1.00 0.00 H new ATOM 0 H5'' A A 38 -8.673 0.998 16.227 1.00 0.00 H new ATOM 0 H4' A A 38 -9.995 2.645 17.450 1.00 0.00 H new ATOM 0 H3' A A 38 -7.216 3.450 16.559 1.00 0.00 H new ATOM 0 H2' A A 38 -7.759 5.725 17.534 1.00 0.00 H new ATOM 0 HO2' A A 38 -10.052 5.326 16.709 1.00 0.00 H new ATOM 0 H1' A A 38 -8.880 4.716 19.914 1.00 0.00 H new ATOM 0 H8 A A 38 -5.840 2.669 18.934 1.00 0.00 H new ATOM 0 H61 A A 38 -2.385 7.413 20.961 1.00 0.00 H new ATOM 0 H62 A A 38 -2.353 5.717 20.466 1.00 0.00 H new ATOM 0 H2 A A 38 -6.649 8.752 20.687 1.00 0.00 H new HETATM 377 N1 PSU A 39 -3.376 5.051 16.597 1.00 0.00 N HETATM 378 C2 PSU A 39 -2.064 5.348 16.905 1.00 0.00 C HETATM 379 N3 PSU A 39 -1.825 6.641 17.345 1.00 0.00 N HETATM 380 C4 PSU A 39 -2.771 7.647 17.481 1.00 0.00 C HETATM 381 C5 PSU A 39 -4.122 7.255 17.130 1.00 0.00 C HETATM 382 C6 PSU A 39 -4.364 5.985 16.719 1.00 0.00 C HETATM 383 O2 PSU A 39 -1.161 4.522 16.797 1.00 0.00 O HETATM 384 O4 PSU A 39 -2.432 8.765 17.866 1.00 0.00 O HETATM 385 C1' PSU A 39 -5.221 8.317 17.179 1.00 0.00 C HETATM 386 C2' PSU A 39 -5.037 9.289 16.018 1.00 0.00 C HETATM 387 O2' PSU A 39 -5.500 10.560 16.419 1.00 0.00 O HETATM 388 C3' PSU A 39 -5.945 8.705 14.947 1.00 0.00 C HETATM 389 C4' PSU A 39 -7.118 8.269 15.814 1.00 0.00 C HETATM 390 O3' PSU A 39 -6.316 9.671 13.984 1.00 0.00 O HETATM 391 O4' PSU A 39 -6.533 7.793 17.020 1.00 0.00 O HETATM 392 C5' PSU A 39 -8.019 7.215 15.149 1.00 0.00 C HETATM 393 O5' PSU A 39 -7.288 6.023 14.967 1.00 0.00 O HETATM 394 P PSU A 39 -7.921 4.656 14.378 1.00 0.00 P HETATM 395 OP1 PSU A 39 -8.830 5.016 13.267 1.00 0.00 O HETATM 396 OP2 PSU A 39 -6.786 3.739 14.127 1.00 0.00 O HETATM 0 HO2' PSU A 39 -6.133 10.902 15.754 1.00 0.00 H new HETATM 0 H5'' PSU A 39 -8.895 7.026 15.769 1.00 0.00 H new HETATM 0 HN3 PSU A 39 -0.863 6.875 17.592 1.00 0.00 H new HETATM 0 HN1 PSU A 39 -3.612 4.114 16.271 1.00 0.00 H new HETATM 0 H6 PSU A 39 -5.388 5.699 16.477 1.00 0.00 H new HETATM 0 H5' PSU A 39 -8.381 7.583 14.189 1.00 0.00 H new HETATM 0 H4' PSU A 39 -7.796 9.104 15.989 1.00 0.00 H new HETATM 0 H3' PSU A 39 -5.502 7.912 14.345 1.00 0.00 H new HETATM 0 H2' PSU A 39 -4.007 9.408 15.682 1.00 0.00 H new HETATM 0 H1' PSU A 39 -5.130 8.779 18.162 1.00 0.00 H new ATOM 407 P C A 40 -5.431 9.905 12.653 1.00 0.00 P ATOM 408 OP1 C A 40 -6.058 10.995 11.872 1.00 0.00 O ATOM 409 OP2 C A 40 -5.211 8.586 12.019 1.00 0.00 O ATOM 410 O5' C A 40 -4.010 10.437 13.194 1.00 0.00 O ATOM 411 C5' C A 40 -3.852 11.762 13.646 1.00 0.00 C ATOM 412 C4' C A 40 -2.433 11.975 14.176 1.00 0.00 C ATOM 413 O4' C A 40 -2.065 10.986 15.120 1.00 0.00 O ATOM 414 C3' C A 40 -1.365 11.916 13.093 1.00 0.00 C ATOM 415 O3' C A 40 -1.347 13.113 12.342 1.00 0.00 O ATOM 416 C2' C A 40 -0.138 11.743 13.975 1.00 0.00 C ATOM 417 O2' C A 40 0.205 12.967 14.588 1.00 0.00 O ATOM 418 C1' C A 40 -0.661 10.779 15.044 1.00 0.00 C ATOM 419 N1 C A 40 -0.301 9.378 14.687 1.00 0.00 N ATOM 420 C2 C A 40 1.023 9.005 14.881 1.00 0.00 C ATOM 421 O2 C A 40 1.852 9.819 15.282 1.00 0.00 O ATOM 422 N3 C A 40 1.383 7.724 14.610 1.00 0.00 N ATOM 423 C4 C A 40 0.500 6.833 14.148 1.00 0.00 C ATOM 424 N4 C A 40 0.905 5.580 13.903 1.00 0.00 N ATOM 425 C5 C A 40 -0.858 7.204 13.904 1.00 0.00 C ATOM 426 C6 C A 40 -1.207 8.476 14.187 1.00 0.00 C ATOM 0 H5' C A 40 -4.577 11.975 14.432 1.00 0.00 H new ATOM 0 H5'' C A 40 -4.052 12.458 12.831 1.00 0.00 H new ATOM 0 H4' C A 40 -2.471 12.970 14.620 1.00 0.00 H new ATOM 0 H3' C A 40 -1.483 11.144 12.333 1.00 0.00 H new ATOM 0 H2' C A 40 0.745 11.400 13.436 1.00 0.00 H new ATOM 0 HO2' C A 40 -0.148 13.710 14.055 1.00 0.00 H new ATOM 0 H1' C A 40 -0.214 10.962 16.021 1.00 0.00 H new ATOM 0 H41 C A 40 0.242 4.890 13.550 1.00 0.00 H new ATOM 0 H42 C A 40 1.876 5.316 14.069 1.00 0.00 H new ATOM 0 H5 C A 40 -1.574 6.497 13.510 1.00 0.00 H new ATOM 0 H6 C A 40 -2.225 8.793 14.016 1.00 0.00 H new ATOM 438 P U A 41 -0.886 13.129 10.795 1.00 0.00 P ATOM 439 OP1 U A 41 -1.023 14.512 10.287 1.00 0.00 O ATOM 440 OP2 U A 41 -1.570 12.019 10.094 1.00 0.00 O ATOM 441 O5' U A 41 0.681 12.783 10.875 1.00 0.00 O ATOM 442 C5' U A 41 1.619 13.781 11.205 1.00 0.00 C ATOM 443 C4' U A 41 2.998 13.145 11.352 1.00 0.00 C ATOM 444 O4' U A 41 2.962 12.119 12.321 1.00 0.00 O ATOM 445 C3' U A 41 3.506 12.499 10.067 1.00 0.00 C ATOM 446 O3' U A 41 4.013 13.484 9.184 1.00 0.00 O ATOM 447 C2' U A 41 4.559 11.577 10.656 1.00 0.00 C ATOM 448 O2' U A 41 5.777 12.262 10.838 1.00 0.00 O ATOM 449 C1' U A 41 3.987 11.190 12.014 1.00 0.00 C ATOM 450 N1 U A 41 3.494 9.793 11.923 1.00 0.00 N ATOM 451 C2 U A 41 4.405 8.763 12.117 1.00 0.00 C ATOM 452 O2 U A 41 5.590 8.957 12.384 1.00 0.00 O ATOM 453 N3 U A 41 3.913 7.474 11.976 1.00 0.00 N ATOM 454 C4 U A 41 2.619 7.126 11.625 1.00 0.00 C ATOM 455 O4 U A 41 2.286 5.946 11.539 1.00 0.00 O ATOM 456 C5 U A 41 1.763 8.258 11.366 1.00 0.00 C ATOM 457 C6 U A 41 2.217 9.521 11.516 1.00 0.00 C ATOM 0 H5' U A 41 1.332 14.274 12.134 1.00 0.00 H new ATOM 0 H5'' U A 41 1.640 14.548 10.431 1.00 0.00 H new ATOM 0 H4' U A 41 3.662 13.962 11.633 1.00 0.00 H new ATOM 0 H3' U A 41 2.775 11.978 9.449 1.00 0.00 H new ATOM 0 H2' U A 41 4.767 10.723 10.012 1.00 0.00 H new ATOM 0 HO2' U A 41 6.467 11.860 10.270 1.00 0.00 H new ATOM 0 H1' U A 41 4.726 11.224 12.814 1.00 0.00 H new ATOM 0 H3 U A 41 4.566 6.709 12.147 1.00 0.00 H new ATOM 0 H5 U A 41 0.744 8.093 11.048 1.00 0.00 H new ATOM 0 H6 U A 41 1.549 10.344 11.308 1.00 0.00 H new ATOM 468 P G A 42 4.283 13.187 7.616 1.00 0.00 P ATOM 469 OP1 G A 42 4.536 14.482 6.946 1.00 0.00 O ATOM 470 OP2 G A 42 3.211 12.300 7.111 1.00 0.00 O ATOM 471 O5' G A 42 5.660 12.360 7.614 1.00 0.00 O ATOM 472 C5' G A 42 6.882 13.010 7.877 1.00 0.00 C ATOM 473 C4' G A 42 7.984 11.963 7.996 1.00 0.00 C ATOM 474 O4' G A 42 7.552 10.881 8.796 1.00 0.00 O ATOM 475 C3' G A 42 8.394 11.352 6.663 1.00 0.00 C ATOM 476 O3' G A 42 9.260 12.211 5.956 1.00 0.00 O ATOM 477 C2' G A 42 9.104 10.109 7.169 1.00 0.00 C ATOM 478 O2' G A 42 10.383 10.446 7.657 1.00 0.00 O ATOM 479 C1' G A 42 8.208 9.711 8.341 1.00 0.00 C ATOM 480 N9 G A 42 7.218 8.720 7.886 1.00 0.00 N ATOM 481 C8 G A 42 5.864 8.850 7.716 1.00 0.00 C ATOM 482 N7 G A 42 5.271 7.745 7.358 1.00 0.00 N ATOM 483 C5 G A 42 6.307 6.820 7.276 1.00 0.00 C ATOM 484 C6 G A 42 6.275 5.439 6.947 1.00 0.00 C ATOM 485 O6 G A 42 5.300 4.739 6.677 1.00 0.00 O ATOM 486 N1 G A 42 7.548 4.886 6.960 1.00 0.00 N ATOM 487 C2 G A 42 8.709 5.566 7.264 1.00 0.00 C ATOM 488 N2 G A 42 9.852 4.868 7.218 1.00 0.00 N ATOM 489 N3 G A 42 8.737 6.859 7.598 1.00 0.00 N ATOM 490 C4 G A 42 7.504 7.415 7.581 1.00 0.00 C ATOM 0 H5' G A 42 6.811 13.588 8.798 1.00 0.00 H new ATOM 0 H5'' G A 42 7.115 13.713 7.077 1.00 0.00 H new ATOM 0 H4' G A 42 8.830 12.498 8.428 1.00 0.00 H new ATOM 0 H3' G A 42 7.585 11.161 5.958 1.00 0.00 H new ATOM 0 H2' G A 42 9.246 9.336 6.413 1.00 0.00 H new ATOM 0 HO2' G A 42 10.655 11.313 7.289 1.00 0.00 H new ATOM 0 H1' G A 42 8.794 9.269 9.147 1.00 0.00 H new ATOM 0 H8 G A 42 5.337 9.781 7.865 1.00 0.00 H new ATOM 0 H1 G A 42 7.632 3.897 6.726 1.00 0.00 H new ATOM 0 H21 G A 42 10.738 5.325 7.434 1.00 0.00 H new ATOM 0 H22 G A 42 9.836 3.880 6.967 1.00 0.00 H new ATOM 502 P A A 43 9.421 12.081 4.362 1.00 0.00 P ATOM 503 OP1 A A 43 10.468 13.028 3.921 1.00 0.00 O ATOM 504 OP2 A A 43 8.069 12.148 3.762 1.00 0.00 O ATOM 505 O5' A A 43 9.977 10.584 4.169 1.00 0.00 O ATOM 506 C5' A A 43 11.347 10.281 4.323 1.00 0.00 C ATOM 507 C4' A A 43 11.594 8.821 3.943 1.00 0.00 C ATOM 508 O4' A A 43 10.849 7.943 4.764 1.00 0.00 O ATOM 509 C3' A A 43 11.189 8.503 2.507 1.00 0.00 C ATOM 510 O3' A A 43 12.199 8.846 1.585 1.00 0.00 O ATOM 511 C2' A A 43 10.995 7.001 2.578 1.00 0.00 C ATOM 512 O2' A A 43 12.213 6.341 2.316 1.00 0.00 O ATOM 513 C1' A A 43 10.580 6.764 4.024 1.00 0.00 C ATOM 514 N9 A A 43 9.152 6.459 4.041 1.00 0.00 N ATOM 515 C8 A A 43 8.076 7.290 4.050 1.00 0.00 C ATOM 516 N7 A A 43 6.926 6.665 4.047 1.00 0.00 N ATOM 517 C5 A A 43 7.284 5.315 4.038 1.00 0.00 C ATOM 518 C6 A A 43 6.563 4.107 4.034 1.00 0.00 C ATOM 519 N6 A A 43 5.223 4.036 4.006 1.00 0.00 N ATOM 520 N1 A A 43 7.280 2.969 4.047 1.00 0.00 N ATOM 521 C2 A A 43 8.605 3.029 4.031 1.00 0.00 C ATOM 522 N3 A A 43 9.380 4.077 4.006 1.00 0.00 N ATOM 523 C4 A A 43 8.643 5.199 4.024 1.00 0.00 C ATOM 0 H5' A A 43 11.655 10.456 5.354 1.00 0.00 H new ATOM 0 H5'' A A 43 11.948 10.938 3.694 1.00 0.00 H new ATOM 0 H4' A A 43 12.667 8.680 4.069 1.00 0.00 H new ATOM 0 H3' A A 43 10.314 9.055 2.165 1.00 0.00 H new ATOM 0 H2' A A 43 10.269 6.631 1.854 1.00 0.00 H new ATOM 0 HO2' A A 43 12.861 6.981 1.955 1.00 0.00 H new ATOM 0 HO3' A A 43 11.902 8.625 0.677 1.00 0.00 H new ATOM 0 H1' A A 43 11.130 5.934 4.468 1.00 0.00 H new ATOM 0 H8 A A 43 8.162 8.367 4.059 1.00 0.00 H new ATOM 0 H61 A A 43 4.760 3.127 4.005 1.00 0.00 H new ATOM 0 H62 A A 43 4.667 4.891 3.986 1.00 0.00 H new ATOM 0 H2 A A 43 9.113 2.076 4.040 1.00 0.00 H new TER 536 A A 43 CONECT 352 394 CONECT 377 378 382 397 CONECT 378 377 379 383 CONECT 379 378 380 398 CONECT 380 379 381 384 CONECT 381 380 382 385 CONECT 382 377 381 399 CONECT 383 378 CONECT 384 380 CONECT 385 381 386 391 400 CONECT 386 385 387 388 401 CONECT 387 386 402 CONECT 388 386 389 390 403 CONECT 389 388 391 392 404 CONECT 390 388 407 CONECT 391 385 389 CONECT 392 389 393 405 406 CONECT 393 392 394 CONECT 394 352 393 395 396 CONECT 395 394 CONECT 396 394 CONECT 397 377 CONECT 398 379 CONECT 399 382 CONECT 400 385 CONECT 401 386 CONECT 402 387 CONECT 403 388 CONECT 404 389 CONECT 405 392 CONECT 406 392 CONECT 407 390 END