HEADER RNA 01-FEB-03 XXXX TITLE THE LEADZYME RIBOZYME BOUND TO MG(H2O)6(II) AND SR(II) AT 1.8 A TITLE 2 RESOLUTION KEYWDS RIBOZYME, LEADZYME, LEAD-DEPENDENT CLEAVAGE, RNA, MG(H2O)6(II), KEYWDS 2 BULGED NUCLEOTIDES, HYDRATED MAGNESIUM, SR(II), PSEUDOHELICAL KEYWDS 3 PACKING, STICKY ENDS, ALTERNATE CONFORMATION, HOMOPURINE BASE PAIRS EXPDTA X-RAY DIFFRACTION AUTHOR J.E.WEDEKIND,D.B.MCKAY JRNL AUTH J.E.WEDEKIND,D.B.MCKAY JRNL TITL CRYSTAL STRUCTURE OF THE LEADZYME AT 1.8 A RESOLUTION: METAL JRNL TITL 2 ION BINDING AND THE IMPLICATIONS FOR CATALYTIC MECHANISM AND JRNL TITL 3 ALLO SITE ION REGULATION. JRNL REF BIOCHEMISTRY V. 42 9554 2003 JRNL REFN ISSN 0006-2960 JRNL PMID 12911297 JRNL DOI 10.1021/BI0300783 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH J.E.WEDEKIND,D.B.MCKAY REMARK 1 TITL CRYSTAL STRUCTURE OF A LEAD DEPENDENT RIBOZYME REVEALING REMARK 1 TITL 2 METAL BINDING SITES RELEVANT TO CATALYSIS REMARK 1 REF NAT.STRUCT.BIOL. V. 6 261 1999 REMARK 1 REFN ISSN 1072-8368 REMARK 1 DOI 10.1038/6700 SEQRES 1 A 13 C G G A C C G A G C C A G SEQRES 1 B 11 G C U G G G A G U C C SEQRES 1 C 13 C G G A C C G A G C C A G SEQRES 1 D 11 G C U G G G A G U C C SEQRES 1 E 13 C G G A C C G A G C C A G SEQRES 1 F 11 G C U G G G A G U C C SEQRES 1 G 13 C G G A C C G A G C C A G SEQRES 1 H 11 G C U G G G A G U C C HETNAM MG MAGNESIUM ION HETNAM SR STRONTIUM ION FORMUL 9 MG 10(MG 2+) FORMUL 12 SR 6(SR 2+) FORMUL 25 HOH *407(H2 O) LINK MG MG A 410 O HOH A 414 1555 1555 2.23 LINK MG MG A 410 O HOH A 412 1555 1555 2.01 LINK MG MG A 410 O HOH A 415 1555 1555 2.04 LINK MG MG A 410 O HOH A 413 1555 1555 2.02 LINK MG MG A 410 O HOH A 416 1555 1555 2.19 LINK MG MG A 410 O HOH B 425 1555 1555 2.20 LINK MG MG A 411 O HOH A 418 1555 1555 2.16 LINK MG MG A 411 O HOH A 419 1555 1555 2.23 LINK MG MG A 411 O HOH B 426 1555 1555 2.01 LINK MG MG A 411 O HOH A 417 1555 1555 2.24 LINK MG MG A 411 O HOH A 420 1555 1555 2.15 LINK MG MG A 411 O HOH B 427 1555 1555 2.28 LINK MG MG B 412 O HOH A 421 1555 1555 2.25 LINK MG MG B 412 O HOH A 423 1555 1555 2.45 LINK MG MG B 412 O HOH B 428 1555 1555 2.35 LINK MG MG B 412 O HOH B 429 1555 1555 2.22 LINK MG MG B 412 O HOH A 422 1555 1555 1.99 LINK MG MG B 412 O HOH B 430 1555 1555 2.14 LINK SR SR B 424 O HOH B 467 1555 1555 2.20 LINK SR SR B 424 O HOH B 456 1555 1555 2.82 LINK SR SR B 424 O HOH B 465 1555 1555 2.34 LINK SR SR B 424 O HOH B 466 1555 1555 2.18 LINK MG MG C 418 O HOH C 180 1555 1555 2.60 LINK MG MG C 418 O HOH D 372 1555 1555 2.37 LINK MG MG C 418 O HOH C 286 1555 1555 2.38 LINK MG MG C 418 O HOH C 151 1555 1555 3.11 LINK MG MG C 418 O HOH C 371 1555 1555 2.27 LINK MG MG C 418 O HOH C 198 1555 1555 2.38 LINK MG MG C 419 O HOH D 348 1555 1555 2.21 LINK MG MG C 419 O HOH C 136 1555 1555 2.09 LINK MG MG C 419 O HOH C 130 1555 1555 2.47 LINK MG MG C 419 O HOH D 158 1555 1555 2.67 LINK SR SR C 420 O HOH C 157 1555 1555 2.28 LINK SR SR C 420 O HOH C 147 1555 1555 2.67 LINK SR SR C 420 O HOH C 325 1555 1555 2.83 LINK SR SR C 420 O HOH C 395 1555 1555 3.00 LINK SR SR C 420 OP1 A C 25 1555 1555 2.87 LINK SR SR C 420 O2 C C 23 1555 1555 3.36 LINK SR SR C 420 N1 A D 45 1555 1555 2.85 LINK SR SR D 422 O HOH D 192 1555 1555 2.54 LINK SR SR D 422 O HOH D 121 1555 1555 2.61 LINK SR SR D 422 O HOH D 123 1555 1555 2.33 LINK MG MG E 416 O HOH E 93 1555 1555 2.22 LINK MG MG E 416 O HOH E 90 1555 1555 2.58 LINK MG MG E 416 O HOH F 294 1555 1555 2.09 LINK MG MG E 416 O HOH E 117 1555 1555 2.47 LINK MG MG E 416 O HOH E 112 1555 1555 2.17 LINK MG MG E 416 O HOH E 305 1555 1555 2.23 LINK MG MG E 417 O HOH F 293 1555 1555 2.07 LINK MG MG E 417 O HOH E 370 1555 1555 2.14 LINK MG MG E 417 O HOH E 367 1555 1555 2.28 LINK MG MG E 417 O HOH E 287 1555 1555 2.49 LINK MG MG E 417 O HOH E 285 1555 1555 2.53 LINK MG MG E 417 O HOH E 302 1555 1555 2.11 LINK SR SR E 421 O HOH F 114 1555 1555 2.49 LINK SR SR E 421 O HOH E 329 1555 1555 2.94 LINK SR SR E 421 O HOH E 83 1555 1555 3.06 LINK SR SR E 421 O2 C E 23 1555 1555 3.39 LINK SR SR E 421 N1 A F 45 1555 1555 2.84 LINK SR SR E 421 OP1 A E 25 1555 1555 2.85 LINK SR SR E 421 O HOH E 82 1555 1555 2.43 LINK SR SR F 425 O HOH F 331 1555 1555 2.21 LINK SR SR F 425 O HOH F 392 1555 1555 2.42 LINK SR SR F 425 O HOH F 330 1555 1555 2.32 LINK MG MG G 413 O HOH G 224 1555 1555 2.23 LINK MG MG G 413 O HOH H 226 1555 1555 2.22 LINK MG MG G 413 O HOH H 223 1555 1555 1.90 LINK MG MG G 413 O HOH H 221 1555 1555 2.26 LINK MG MG G 413 O HOH G 225 1555 1555 1.95 LINK MG MG G 413 O HOH G 222 1555 1555 1.99 LINK MG MG G 414 O HOH G 202 1555 1555 2.27 LINK MG MG G 414 O HOH H 204 1555 1555 2.26 LINK MG MG G 414 O HOH H 201 1555 1555 2.09 LINK MG MG G 414 O HOH G 206 1555 1555 2.08 LINK MG MG G 414 O HOH G 205 1555 1555 2.13 LINK MG MG G 414 O HOH G 203 1555 1555 2.15 LINK MG MG H 415 O HOH H 232 1555 1555 2.13 LINK MG MG H 415 O HOH G 231 1555 1555 2.20 LINK MG MG H 415 O HOH G 229 1555 1555 2.01 LINK MG MG H 415 O HOH G 228 1555 1555 2.21 LINK MG MG H 415 O HOH H 230 1555 1555 2.15 LINK MG MG H 415 O HOH H 227 1555 1555 2.30 LINK SR SR H 423 O HOH H 243 1555 1555 2.25 LINK SR SR H 423 O HOH H 270 1555 1555 2.29 LINK SR SR H 423 O HOH H 283 1555 1555 2.68 LINK SR SR H 423 O HOH H 236 1555 1555 2.13 LINK SR SR H 423 O HOH G 284 1555 1555 2.41 SITE 1 AC1 6 HOH A 412 HOH A 413 HOH A 414 HOH A 415 SITE 2 AC1 6 HOH A 416 HOH B 425 SITE 1 AC2 6 HOH A 417 HOH A 418 HOH A 419 HOH A 420 SITE 2 AC2 6 HOH B 426 HOH B 427 SITE 1 AC3 6 HOH A 421 HOH A 422 HOH A 423 HOH B 428 SITE 2 AC3 6 HOH B 429 HOH B 430 SITE 1 AC4 6 HOH G 222 HOH G 224 HOH G 225 HOH H 221 SITE 2 AC4 6 HOH H 223 HOH H 226 SITE 1 AC5 6 HOH G 202 HOH G 203 HOH G 205 HOH G 206 SITE 2 AC5 6 HOH H 201 HOH H 204 SITE 1 AC6 6 HOH G 228 HOH G 229 HOH G 231 HOH H 227 SITE 2 AC6 6 HOH H 230 HOH H 232 SITE 1 AC7 6 HOH E 90 HOH E 93 HOH E 112 HOH E 117 SITE 2 AC7 6 HOH E 305 HOH F 294 SITE 1 AC8 6 HOH E 285 HOH E 287 HOH E 302 HOH E 367 SITE 2 AC8 6 HOH E 370 HOH F 293 SITE 1 AC9 5 HOH C 180 HOH C 198 HOH C 286 HOH C 371 SITE 2 AC9 5 HOH D 372 SITE 1 BC1 4 HOH C 130 HOH C 136 HOH D 158 HOH D 348 SITE 1 BC2 7 C C 23 A C 25 HOH C 147 HOH C 157 SITE 2 BC2 7 HOH C 325 HOH C 395 A D 45 SITE 1 BC3 7 C E 23 A E 25 HOH E 82 HOH E 83 SITE 2 BC3 7 HOH E 329 A F 45 HOH F 114 SITE 1 BC4 3 HOH D 121 HOH D 123 HOH D 192 SITE 1 BC5 5 HOH G 284 HOH H 236 HOH H 243 HOH H 270 SITE 2 BC5 5 HOH H 283 SITE 1 BC6 4 HOH B 456 HOH B 465 HOH B 466 HOH B 467 SITE 1 BC7 3 HOH F 330 HOH F 331 HOH F 392 CRYST1 60.600 60.600 133.100 90.00 90.00 120.00 P 61 24 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 0.016502 0.009527 0.000000 0.00000 SCALE2 0.000000 0.019054 0.000000 0.00000 SCALE3 0.000000 0.000000 0.007513 0.00000 MODEL 1 ATOM 1 O5' C G 18 41.578 37.883 18.133 1.00 31.55 O ATOM 2 C5' C G 18 42.751 38.017 17.331 1.00 28.13 C ATOM 3 C4' C G 18 43.922 37.241 17.887 1.00 27.00 C ATOM 4 O4' C G 18 44.138 37.620 19.278 1.00 29.57 O ATOM 5 C3' C G 18 43.750 35.732 17.938 1.00 28.82 C ATOM 6 O3' C G 18 44.078 35.109 16.703 1.00 32.80 O ATOM 7 C2' C G 18 44.733 35.338 19.029 1.00 30.95 C ATOM 8 O2' C G 18 46.071 35.294 18.570 1.00 31.07 O ATOM 9 C1' C G 18 44.536 36.481 20.028 1.00 29.07 C ATOM 10 N1 C G 18 43.485 36.180 21.027 1.00 26.56 N ATOM 11 C2 C G 18 43.767 35.256 22.047 1.00 25.56 C ATOM 12 O2 C G 18 44.894 34.726 22.081 1.00 25.89 O ATOM 13 N3 C G 18 42.806 34.965 22.963 1.00 22.97 N ATOM 14 C4 C G 18 41.610 35.560 22.889 1.00 24.88 C ATOM 15 N4 C G 18 40.689 35.247 23.809 1.00 23.89 N ATOM 16 C5 C G 18 41.302 36.506 21.867 1.00 26.27 C ATOM 17 C6 C G 18 42.257 36.780 20.965 1.00 26.86 C ATOM 18 P G G 19 43.343 33.739 16.285 1.00 31.63 P ATOM 19 OP1 G G 19 43.700 33.433 14.870 1.00 33.33 O ATOM 20 OP2 G G 19 41.921 33.897 16.666 1.00 30.24 O ATOM 21 O5' G G 19 43.967 32.627 17.243 1.00 31.31 O ATOM 22 C5' G G 19 45.316 32.195 17.095 1.00 30.40 C ATOM 23 C4' G G 19 45.623 31.081 18.071 1.00 31.61 C ATOM 24 O4' G G 19 45.545 31.577 19.434 1.00 33.00 O ATOM 25 C3' G G 19 44.663 29.905 18.064 1.00 29.10 C ATOM 26 O3' G G 19 44.992 29.018 17.015 1.00 31.26 O ATOM 27 C2' G G 19 44.923 29.288 19.431 1.00 31.02 C ATOM 28 O2' G G 19 46.120 28.537 19.479 1.00 29.53 O ATOM 29 C1' G G 19 45.085 30.541 20.290 1.00 27.62 C ATOM 30 N9 G G 19 43.835 30.972 20.911 1.00 28.05 N ATOM 31 C8 G G 19 43.008 31.988 20.500 1.00 28.18 C ATOM 32 N7 G G 19 41.968 32.148 21.273 1.00 27.45 N ATOM 33 C5 G G 19 42.114 31.178 22.252 1.00 26.27 C ATOM 34 C6 G G 19 41.299 30.875 23.372 1.00 25.48 C ATOM 35 O6 G G 19 40.269 31.441 23.749 1.00 25.16 O ATOM 36 N1 G G 19 41.807 29.807 24.096 1.00 25.81 N ATOM 37 C2 G G 19 42.966 29.131 23.801 1.00 25.10 C ATOM 38 N2 G G 19 43.302 28.136 24.626 1.00 25.30 N ATOM 39 N3 G G 19 43.743 29.414 22.769 1.00 26.36 N ATOM 40 C4 G G 19 43.258 30.438 22.040 1.00 26.32 C ATOM 41 P G G 20 43.827 28.212 16.254 1.00 30.91 P ATOM 42 OP1 G G 20 44.416 27.703 14.994 1.00 30.68 O ATOM 43 OP2 G G 20 42.620 29.069 16.206 1.00 28.11 O ATOM 44 O5' G G 20 43.538 26.969 17.206 1.00 28.16 O ATOM 45 C5' G G 20 44.509 25.938 17.368 1.00 30.36 C ATOM 46 C4' G G 20 44.138 25.037 18.521 1.00 28.80 C ATOM 47 O4' G G 20 44.176 25.801 19.759 1.00 27.64 O ATOM 48 C3' G G 20 42.730 24.466 18.489 1.00 29.19 C ATOM 49 O3' G G 20 42.644 23.311 17.662 1.00 32.42 O ATOM 50 C2' G G 20 42.501 24.137 19.956 1.00 25.46 C ATOM 51 O2' G G 20 43.149 22.948 20.363 1.00 30.57 O ATOM 52 C1' G G 20 43.148 25.347 20.632 1.00 25.21 C ATOM 53 N9 G G 20 42.179 26.425 20.812 1.00 24.64 N ATOM 54 C8 G G 20 41.985 27.514 19.994 1.00 24.56 C ATOM 55 N7 G G 20 41.013 28.288 20.393 1.00 24.30 N ATOM 56 C5 G G 20 40.542 27.686 21.550 1.00 23.60 C ATOM 57 C6 G G 20 39.486 28.068 22.423 1.00 26.24 C ATOM 58 O6 G G 20 38.742 29.056 22.356 1.00 25.50 O ATOM 59 N1 G G 20 39.330 27.161 23.462 1.00 24.52 N ATOM 60 C2 G G 20 40.086 26.034 23.646 1.00 25.52 C ATOM 61 N2 G G 20 39.751 25.276 24.699 1.00 22.73 N ATOM 62 N3 G G 20 41.086 25.673 22.851 1.00 23.35 N ATOM 63 C4 G G 20 41.253 26.536 21.828 1.00 23.78 C ATOM 64 P A G 21 41.326 23.068 16.771 1.00 35.51 P ATOM 65 OP1 A G 21 41.596 21.905 15.891 1.00 34.24 O ATOM 66 OP2 A G 21 40.930 24.367 16.169 1.00 32.69 O ATOM 67 O5' A G 21 40.225 22.632 17.836 1.00 30.71 O ATOM 68 C5' A G 21 40.376 21.411 18.553 1.00 33.52 C ATOM 69 C4' A G 21 39.403 21.334 19.702 1.00 32.61 C ATOM 70 O4' A G 21 39.660 22.415 20.645 1.00 27.56 O ATOM 71 C3' A G 21 37.927 21.492 19.377 1.00 31.36 C ATOM 72 O3' A G 21 37.355 20.283 18.885 1.00 38.07 O ATOM 73 C2' A G 21 37.370 21.835 20.749 1.00 29.98 C ATOM 74 O2' A G 21 37.306 20.694 21.580 1.00 35.55 O ATOM 75 C1' A G 21 38.439 22.801 21.266 1.00 27.72 C ATOM 76 N9 A G 21 38.128 24.183 20.883 1.00 25.50 N ATOM 77 C8 A G 21 38.561 24.874 19.775 1.00 27.13 C ATOM 78 N7 A G 21 38.049 26.078 19.667 1.00 26.94 N ATOM 79 C5 A G 21 37.235 26.195 20.784 1.00 25.71 C ATOM 80 C6 A G 21 36.393 27.229 21.237 1.00 26.46 C ATOM 81 N6 A G 21 36.227 28.387 20.595 1.00 26.70 N ATOM 82 N1 A G 21 35.716 27.027 22.385 1.00 26.86 N ATOM 83 C2 A G 21 35.876 25.863 23.026 1.00 29.13 C ATOM 84 N3 A G 21 36.629 24.816 22.700 1.00 26.16 N ATOM 85 C4 A G 21 37.289 25.045 21.553 1.00 25.90 C ATOM 86 P C G 22 36.080 20.344 17.899 1.00 38.89 P ATOM 87 OP1 C G 22 35.723 18.948 17.548 1.00 41.44 O ATOM 88 OP2 C G 22 36.374 21.320 16.820 1.00 36.15 O ATOM 89 O5' C G 22 34.907 20.954 18.790 1.00 37.40 O ATOM 90 C5' C G 22 34.433 20.267 19.943 1.00 36.93 C ATOM 91 C4' C G 22 33.540 21.165 20.772 1.00 39.45 C ATOM 92 O4' C G 22 34.243 22.404 21.070 1.00 38.85 O ATOM 93 C3' C G 22 32.256 21.661 20.123 1.00 39.05 C ATOM 94 O3' C G 22 31.220 20.687 20.162 1.00 41.49 O ATOM 95 C2' C G 22 31.911 22.859 20.997 1.00 37.55 C ATOM 96 O2' C G 22 31.315 22.519 22.232 1.00 40.21 O ATOM 97 C1' C G 22 33.297 23.448 21.257 1.00 37.26 C ATOM 98 N1 C G 22 33.591 24.571 20.345 1.00 33.56 N ATOM 99 C2 C G 22 32.969 25.801 20.595 1.00 32.05 C ATOM 100 O2 C G 22 32.210 25.902 21.573 1.00 33.21 O ATOM 101 N3 C G 22 33.210 26.847 19.772 1.00 31.09 N ATOM 102 C4 C G 22 34.045 26.704 18.739 1.00 31.92 C ATOM 103 N4 C G 22 34.266 27.767 17.961 1.00 30.44 N ATOM 104 C5 C G 22 34.694 25.463 18.461 1.00 31.99 C ATOM 105 C6 C G 22 34.439 24.432 19.281 1.00 32.28 C ATOM 106 P C G 23 30.149 20.622 18.965 1.00 41.48 P ATOM 107 OP1 C G 23 29.163 19.563 19.295 1.00 47.01 O ATOM 108 OP2 C G 23 30.893 20.557 17.682 1.00 39.79 O ATOM 109 O5' C G 23 29.410 22.032 19.035 1.00 40.71 O ATOM 110 C5' C G 23 28.647 22.401 20.181 1.00 38.79 C ATOM 111 C4' C G 23 28.103 23.799 20.018 1.00 37.54 C ATOM 112 O4' C G 23 29.204 24.743 19.990 1.00 38.86 O ATOM 113 C3' C G 23 27.365 24.064 18.716 1.00 37.42 C ATOM 114 O3' C G 23 26.016 23.641 18.818 1.00 42.56 O ATOM 115 C2' C G 23 27.470 25.576 18.592 1.00 34.56 C ATOM 116 O2' C G 23 26.553 26.262 19.421 1.00 38.37 O ATOM 117 C1' C G 23 28.885 25.816 19.121 1.00 33.11 C ATOM 118 N1 C G 23 29.905 25.884 18.065 1.00 31.84 N ATOM 119 C2 C G 23 30.167 27.120 17.473 1.00 31.71 C ATOM 120 O2 C G 23 29.525 28.114 17.840 1.00 32.67 O ATOM 121 N3 C G 23 31.112 27.206 16.519 1.00 30.67 N ATOM 122 C4 C G 23 31.789 26.123 16.149 1.00 31.42 C ATOM 123 N4 C G 23 32.729 26.274 15.215 1.00 32.59 N ATOM 124 C5 C G 23 31.536 24.844 16.722 1.00 31.12 C ATOM 125 C6 C G 23 30.592 24.769 17.668 1.00 29.89 C ATOM 126 P G G 24 25.383 22.715 17.670 1.00 41.86 P ATOM 127 OP1 G G 24 25.289 21.331 18.199 1.00 44.18 O ATOM 128 OP2 G G 24 26.089 22.961 16.384 1.00 39.80 O ATOM 129 O5' G G 24 23.915 23.308 17.512 1.00 40.20 O ATOM 130 C5' G G 24 23.726 24.673 17.158 1.00 33.40 C ATOM 131 C4' G G 24 22.349 24.872 16.580 1.00 27.77 C ATOM 132 O4' G G 24 21.357 24.486 17.568 1.00 24.95 O ATOM 133 C3' G G 24 22.007 26.306 16.211 1.00 20.98 C ATOM 134 O3' G G 24 22.446 26.563 14.879 1.00 22.72 O ATOM 135 C2' G G 24 20.484 26.302 16.308 1.00 20.95 C ATOM 136 O2' G G 24 19.899 25.704 15.168 1.00 22.13 O ATOM 137 C1' G G 24 20.255 25.369 17.502 1.00 22.19 C ATOM 138 N9 G G 24 20.067 25.974 18.824 1.00 22.11 N ATOM 139 C8 G G 24 20.795 25.713 19.963 1.00 21.90 C ATOM 140 N7 G G 24 20.314 26.301 21.026 1.00 19.48 N ATOM 141 C5 G G 24 19.217 27.010 20.560 1.00 21.25 C ATOM 142 C6 G G 24 18.268 27.807 21.262 1.00 19.96 C ATOM 143 O6 G G 24 18.195 28.027 22.475 1.00 21.42 O ATOM 144 N1 G G 24 17.325 28.355 20.402 1.00 19.63 N ATOM 145 C2 G G 24 17.285 28.155 19.041 1.00 20.59 C ATOM 146 N2 G G 24 16.290 28.770 18.375 1.00 20.12 N ATOM 147 N3 G G 24 18.153 27.404 18.377 1.00 21.56 N ATOM 148 C4 G G 24 19.078 26.858 19.195 1.00 20.89 C ATOM 149 P A G 25 23.313 27.886 14.554 1.00 25.53 P ATOM 150 OP1 A G 25 23.998 27.636 13.265 1.00 27.72 O ATOM 151 OP2 A G 25 24.110 28.213 15.763 1.00 23.22 O ATOM 152 O5' A G 25 22.225 29.034 14.350 1.00 24.27 O ATOM 153 C5' A G 25 21.276 28.957 13.290 1.00 26.18 C ATOM 154 C4' A G 25 20.073 29.810 13.605 1.00 22.21 C ATOM 155 O4' A G 25 19.476 29.324 14.830 1.00 20.90 O ATOM 156 C3' A G 25 20.349 31.281 13.881 1.00 23.14 C ATOM 157 O3' A G 25 20.406 32.005 12.656 1.00 24.21 O ATOM 158 C2' A G 25 19.144 31.679 14.727 1.00 24.02 C ATOM 159 O2' A G 25 17.975 31.915 13.969 1.00 23.79 O ATOM 160 C1' A G 25 18.917 30.406 15.541 1.00 22.82 C ATOM 161 N9 A G 25 19.471 30.402 16.892 1.00 20.20 N ATOM 162 C8 A G 25 20.616 29.798 17.353 1.00 20.08 C ATOM 163 N7 A G 25 20.783 29.909 18.649 1.00 20.49 N ATOM 164 C5 A G 25 19.683 30.653 19.065 1.00 19.04 C ATOM 165 C6 A G 25 19.265 31.103 20.333 1.00 19.73 C ATOM 166 N6 A G 25 19.906 30.810 21.467 1.00 20.46 N ATOM 167 N1 A G 25 18.141 31.857 20.395 1.00 21.77 N ATOM 168 C2 A G 25 17.475 32.101 19.261 1.00 16.78 C ATOM 169 N3 A G 25 17.752 31.708 18.018 1.00 18.11 N ATOM 170 C4 A G 25 18.883 30.983 17.990 1.00 20.18 C ATOM 171 P G G 26 21.326 33.321 12.542 1.00 24.96 P ATOM 172 OP1 G G 26 21.181 33.849 11.166 1.00 22.01 O ATOM 173 OP2 G G 26 22.677 32.953 13.043 1.00 23.32 O ATOM 174 O5' G G 26 20.677 34.352 13.573 1.00 21.41 O ATOM 175 C5' G G 26 19.333 34.856 13.408 1.00 21.87 C ATOM 176 C4' G G 26 18.987 35.712 14.609 1.00 21.86 C ATOM 177 O4' G G 26 19.103 34.913 15.808 1.00 23.08 O ATOM 178 C3' G G 26 20.038 36.831 14.744 1.00 23.00 C ATOM 179 O3' G G 26 19.337 38.099 14.851 1.00 22.27 O ATOM 180 C2' G G 26 20.668 36.679 16.133 1.00 22.86 C ATOM 181 O2' G G 26 20.855 37.825 16.894 1.00 30.88 O ATOM 182 C1'A G G 26 19.694 35.710 16.804 0.50 20.49 C ATOM 183 C1'B G G 26 19.795 35.641 16.809 0.50 21.96 C ATOM 184 N9 A G G 26 20.273 34.881 17.847 0.50 19.67 N ATOM 185 N9 B G G 26 20.394 34.780 17.835 0.50 22.25 N ATOM 186 C8 A G G 26 19.930 34.881 19.186 0.50 19.32 C ATOM 187 C8 B G G 26 21.509 33.950 17.787 0.50 22.07 C ATOM 188 N7 A G G 26 20.671 34.093 19.915 0.50 19.48 N ATOM 189 N7 B G G 26 21.879 33.528 18.969 0.50 21.04 N ATOM 190 C5 A G G 26 21.554 33.511 19.007 0.50 19.35 C ATOM 191 C5 B G G 26 20.906 34.018 19.841 0.50 23.43 C ATOM 192 C6 A G G 26 22.580 32.562 19.213 0.50 22.39 C ATOM 193 C6 B G G 26 20.777 33.870 21.251 0.50 24.45 C ATOM 194 O6 A G G 26 22.944 32.032 20.268 0.50 21.60 O ATOM 195 O6 B G G 26 21.505 33.250 22.034 0.50 28.20 O ATOM 196 N1 A G G 26 23.214 32.234 18.014 0.50 22.34 N ATOM 197 N1 B G G 26 19.655 34.537 21.733 0.50 25.80 N ATOM 198 C2 A G G 26 22.907 32.767 16.785 0.50 21.94 C ATOM 199 C2 B G G 26 18.769 35.245 20.963 0.50 24.57 C ATOM 200 N2 A G G 26 23.627 32.318 15.740 0.50 21.88 N ATOM 201 N2 B G G 26 17.750 35.815 21.618 0.50 27.16 N ATOM 202 N3 A G G 26 21.963 33.669 16.587 0.50 20.36 N ATOM 203 N3 B G G 26 18.874 35.384 19.645 0.50 24.15 N ATOM 204 C4 A G G 26 21.316 33.986 17.735 0.50 20.46 C ATOM 205 C4 B G G 26 19.971 34.747 19.152 0.50 23.02 C ATOM 206 P C G 27 19.256 39.148 13.621 1.00 25.44 P ATOM 207 OP1 C G 27 18.297 40.214 14.051 1.00 28.85 O ATOM 208 OP2 C G 27 18.990 38.415 12.369 1.00 22.68 O ATOM 209 O5' C G 27 20.720 39.774 13.567 1.00 23.10 O ATOM 210 C5' C G 27 21.056 40.934 14.329 1.00 23.26 C ATOM 211 C4' C G 27 22.482 41.345 14.044 1.00 24.60 C ATOM 212 O4' C G 27 23.419 40.460 14.717 1.00 27.39 O ATOM 213 C3' C G 27 22.891 41.291 12.580 1.00 28.03 C ATOM 214 O3' C G 27 22.497 42.486 11.923 1.00 29.87 O ATOM 215 C2' C G 27 24.406 41.197 12.688 1.00 26.25 C ATOM 216 O2' C G 27 24.976 42.449 13.001 1.00 29.39 O ATOM 217 C1' C G 27 24.561 40.264 13.892 1.00 27.24 C ATOM 218 N1 C G 27 24.629 38.839 13.499 1.00 24.47 N ATOM 219 C2 C G 27 25.790 38.362 12.863 1.00 24.70 C ATOM 220 O2 C G 27 26.734 39.152 12.650 1.00 23.75 O ATOM 221 N3 C G 27 25.854 37.053 12.506 1.00 22.00 N ATOM 222 C4 C G 27 24.829 36.233 12.784 1.00 21.14 C ATOM 223 N4 C G 27 24.951 34.937 12.471 1.00 17.92 N ATOM 224 C5 C G 27 23.639 36.699 13.412 1.00 23.69 C ATOM 225 C6 C G 27 23.582 37.993 13.748 1.00 24.95 C ATOM 226 P C G 28 22.075 42.455 10.374 1.00 29.64 P ATOM 227 OP1 C G 28 21.442 43.773 10.120 1.00 31.74 O ATOM 228 OP2 C G 28 21.329 41.209 10.049 1.00 28.27 O ATOM 229 O5' C G 28 23.460 42.382 9.592 1.00 29.07 O ATOM 230 C5' C G 28 24.405 43.444 9.663 1.00 30.25 C ATOM 231 C4' C G 28 25.665 43.070 8.914 1.00 27.58 C ATOM 232 O4' C G 28 26.402 42.053 9.650 1.00 28.91 O ATOM 233 C3' C G 28 25.457 42.446 7.544 1.00 28.41 C ATOM 234 O3' C G 28 25.211 43.418 6.541 1.00 28.69 O ATOM 235 C2' C G 28 26.775 41.714 7.333 1.00 25.30 C ATOM 236 O2' C G 28 27.844 42.561 6.975 1.00 27.90 O ATOM 237 C1' C G 28 27.021 41.156 8.734 1.00 27.46 C ATOM 238 N1 C G 28 26.401 39.825 8.870 1.00 23.42 N ATOM 239 C2 C G 28 27.091 38.706 8.379 1.00 22.56 C ATOM 240 O2 C G 28 28.199 38.863 7.837 1.00 23.21 O ATOM 241 N3 C G 28 26.532 37.484 8.497 1.00 22.30 N ATOM 242 C4 C G 28 25.332 37.350 9.067 1.00 20.11 C ATOM 243 N4 C G 28 24.825 36.121 9.168 1.00 19.29 N ATOM 244 C5 C G 28 24.599 38.473 9.562 1.00 21.97 C ATOM 245 C6 C G 28 25.168 39.677 9.448 1.00 23.33 C ATOM 246 P A G 29 24.378 43.015 5.224 1.00 30.74 P ATOM 247 OP1 A G 29 24.259 44.257 4.422 1.00 31.45 O ATOM 248 OP2 A G 29 23.148 42.277 5.610 1.00 27.86 O ATOM 249 O5' A G 29 25.331 41.984 4.463 1.00 24.85 O ATOM 250 C5' A G 29 26.608 42.394 3.986 1.00 26.75 C ATOM 251 C4' A G 29 27.392 41.215 3.452 1.00 24.08 C ATOM 252 O4' A G 29 27.637 40.267 4.523 1.00 27.16 O ATOM 253 C3' A G 29 26.753 40.371 2.357 1.00 26.34 C ATOM 254 O3' A G 29 26.941 40.962 1.076 1.00 25.66 O ATOM 255 C2' A G 29 27.549 39.078 2.470 1.00 24.70 C ATOM 256 O2' A G 29 28.839 39.197 1.900 1.00 26.80 O ATOM 257 C1' A G 29 27.694 38.951 3.986 1.00 23.69 C ATOM 258 N9 A G 29 26.642 38.135 4.600 1.00 23.15 N ATOM 259 C8 A G 29 25.507 38.525 5.274 1.00 23.27 C ATOM 260 N7 A G 29 24.792 37.520 5.731 1.00 22.70 N ATOM 261 C5 A G 29 25.500 36.396 5.327 1.00 20.26 C ATOM 262 C6 A G 29 25.286 35.013 5.519 1.00 17.48 C ATOM 263 N6 A G 29 24.257 34.504 6.208 1.00 18.41 N ATOM 264 N1 A G 29 26.183 34.160 4.977 1.00 16.66 N ATOM 265 C2 A G 29 27.225 34.666 4.300 1.00 19.31 C ATOM 266 N3 A G 29 27.541 35.940 4.066 1.00 18.99 N ATOM 267 C4 A G 29 26.631 36.762 4.615 1.00 20.38 C ATOM 268 P G G 30 25.911 40.641 -0.121 1.00 29.13 P ATOM 269 OP1 G G 30 26.208 41.626 -1.188 1.00 29.72 O ATOM 270 OP2 G G 30 24.529 40.549 0.422 1.00 28.94 O ATOM 271 O5' G G 30 26.312 39.179 -0.624 1.00 29.88 O ATOM 272 C5' G G 30 27.571 38.925 -1.254 1.00 29.78 C ATOM 273 C4' G G 30 27.724 37.445 -1.560 1.00 27.18 C ATOM 274 O4' G G 30 27.804 36.685 -0.327 1.00 22.60 O ATOM 275 C3' G G 30 26.576 36.804 -2.323 1.00 28.01 C ATOM 276 O3' G G 30 26.632 37.054 -3.731 1.00 31.00 O ATOM 277 C2' G G 30 26.718 35.332 -1.962 1.00 24.45 C ATOM 278 O2' G G 30 27.695 34.663 -2.734 1.00 25.38 O ATOM 279 C1' G G 30 27.174 35.420 -0.503 1.00 23.60 C ATOM 280 N9 G G 30 26.071 35.317 0.450 1.00 23.99 N ATOM 281 C8 G G 30 25.356 36.355 1.004 1.00 25.40 C ATOM 282 N7 G G 30 24.456 35.956 1.862 1.00 24.28 N ATOM 283 C5 G G 30 24.576 34.573 1.868 1.00 20.50 C ATOM 284 C6 G G 30 23.873 33.599 2.613 1.00 20.75 C ATOM 285 O6 G G 30 22.980 33.773 3.450 1.00 22.43 O ATOM 286 N1 G G 30 24.302 32.310 2.308 1.00 20.18 N ATOM 287 C2 G G 30 25.282 31.997 1.397 1.00 20.43 C ATOM 288 N2 G G 30 25.535 30.686 1.216 1.00 20.93 N ATOM 289 N3 G G 30 25.958 32.900 0.706 1.00 20.93 N ATOM 290 C4 G G 30 25.556 34.160 0.989 1.00 22.30 C TER 291 G G 30 ATOM 292 O5' G H 39 16.997 28.539 9.333 1.00 35.28 O ATOM 293 C5' G H 39 16.551 27.230 8.989 1.00 29.03 C ATOM 294 C4' G H 39 16.985 26.813 7.603 1.00 27.97 C ATOM 295 O4' G H 39 16.479 27.762 6.628 1.00 27.27 O ATOM 296 C3' G H 39 18.488 26.784 7.363 1.00 27.87 C ATOM 297 O3' G H 39 19.029 25.541 7.807 1.00 27.88 O ATOM 298 C2' G H 39 18.573 26.927 5.847 1.00 27.65 C ATOM 299 O2' G H 39 18.389 25.700 5.160 1.00 28.48 O ATOM 300 C1' G H 39 17.406 27.879 5.558 1.00 25.67 C ATOM 301 N9 G H 39 17.811 29.281 5.438 1.00 21.45 N ATOM 302 C8 G H 39 17.525 30.310 6.303 1.00 24.27 C ATOM 303 N7 G H 39 18.010 31.459 5.912 1.00 22.56 N ATOM 304 C5 G H 39 18.655 31.171 4.719 1.00 19.36 C ATOM 305 C6 G H 39 19.363 32.023 3.826 1.00 20.84 C ATOM 306 O6 G H 39 19.539 33.242 3.902 1.00 23.27 O ATOM 307 N1 G H 39 19.888 31.315 2.750 1.00 21.90 N ATOM 308 C2 G H 39 19.738 29.960 2.548 1.00 21.77 C ATOM 309 N2 G H 39 20.340 29.449 1.466 1.00 19.34 N ATOM 310 N3 G H 39 19.055 29.166 3.355 1.00 21.24 N ATOM 311 C4 G H 39 18.550 29.831 4.416 1.00 19.01 C ATOM 312 P C H 40 20.552 25.460 8.340 1.00 25.62 P ATOM 313 OP1 C H 40 20.726 24.113 8.925 1.00 23.91 O ATOM 314 OP2 C H 40 20.874 26.664 9.153 1.00 19.73 O ATOM 315 O5' C H 40 21.424 25.503 7.017 1.00 24.63 O ATOM 316 C5' C H 40 21.525 24.352 6.193 1.00 25.94 C ATOM 317 C4' C H 40 22.365 24.656 4.994 1.00 25.66 C ATOM 318 O4' C H 40 21.731 25.721 4.241 1.00 24.92 O ATOM 319 C3' C H 40 23.743 25.212 5.307 1.00 26.30 C ATOM 320 O3' C H 40 24.648 24.162 5.587 1.00 25.32 O ATOM 321 C2' C H 40 24.082 25.917 4.006 1.00 22.29 C ATOM 322 O2' C H 40 24.421 24.980 3.005 1.00 22.06 O ATOM 323 C1' C H 40 22.730 26.549 3.664 1.00 23.16 C ATOM 324 N1 C H 40 22.559 27.936 4.161 1.00 20.71 N ATOM 325 C2 C H 40 23.121 28.984 3.414 1.00 22.36 C ATOM 326 O2 C H 40 23.796 28.707 2.408 1.00 23.87 O ATOM 327 N3 C H 40 22.925 30.264 3.813 1.00 21.49 N ATOM 328 C4 C H 40 22.221 30.522 4.920 1.00 21.67 C ATOM 329 N4 C H 40 22.032 31.809 5.259 1.00 21.10 N ATOM 330 C5 C H 40 21.672 29.477 5.723 1.00 20.23 C ATOM 331 C6 C H 40 21.863 28.209 5.308 1.00 19.87 C ATOM 332 P U H 41 25.899 24.433 6.552 1.00 25.13 P ATOM 333 OP1 U H 41 26.585 23.128 6.711 1.00 23.06 O ATOM 334 OP2 U H 41 25.439 25.166 7.746 1.00 23.14 O ATOM 335 O5' U H 41 26.812 25.455 5.734 1.00 24.55 O ATOM 336 C5' U H 41 27.458 25.069 4.528 1.00 25.80 C ATOM 337 C4' U H 41 28.189 26.245 3.921 1.00 24.37 C ATOM 338 O4' U H 41 27.246 27.215 3.382 1.00 22.24 O ATOM 339 C3' U H 41 29.045 27.077 4.861 1.00 24.23 C ATOM 340 O3' U H 41 30.288 26.457 5.153 1.00 26.69 O ATOM 341 C2' U H 41 29.216 28.344 4.047 1.00 24.17 C ATOM 342 O2' U H 41 30.122 28.137 2.974 1.00 22.85 O ATOM 343 C1' U H 41 27.788 28.524 3.518 1.00 23.92 C ATOM 344 N1 U H 41 26.938 29.304 4.442 1.00 19.29 N ATOM 345 C2 U H 41 26.973 30.685 4.326 1.00 19.66 C ATOM 346 O2 U H 41 27.696 31.264 3.533 1.00 21.36 O ATOM 347 N3 U H 41 26.146 31.365 5.184 1.00 20.43 N ATOM 348 C4 U H 41 25.324 30.825 6.154 1.00 18.83 C ATOM 349 O4 U H 41 24.643 31.577 6.855 1.00 19.01 O ATOM 350 C5 U H 41 25.358 29.395 6.237 1.00 17.79 C ATOM 351 C6 U H 41 26.138 28.699 5.392 1.00 19.84 C ATOM 352 P G H 42 30.980 26.696 6.586 1.00 27.24 P ATOM 353 OP1 G H 42 32.139 25.766 6.635 1.00 25.62 O ATOM 354 OP2 G H 42 29.957 26.653 7.662 1.00 24.09 O ATOM 355 O5' G H 42 31.537 28.188 6.495 1.00 22.39 O ATOM 356 C5' G H 42 32.483 28.519 5.485 1.00 24.78 C ATOM 357 C4' G H 42 32.683 30.012 5.378 1.00 22.99 C ATOM 358 O4' G H 42 31.496 30.661 4.840 1.00 21.56 O ATOM 359 C3' G H 42 32.978 30.812 6.637 1.00 22.37 C ATOM 360 O3' G H 42 34.316 30.671 7.093 1.00 24.96 O ATOM 361 C2' G H 42 32.717 32.220 6.127 1.00 24.74 C ATOM 362 O2' G H 42 33.732 32.664 5.242 1.00 24.03 O ATOM 363 C1' G H 42 31.436 31.996 5.324 1.00 21.86 C ATOM 364 N9 G H 42 30.256 32.136 6.173 1.00 21.64 N ATOM 365 C8 G H 42 29.530 31.131 6.769 1.00 20.09 C ATOM 366 N7 G H 42 28.520 31.577 7.468 1.00 21.07 N ATOM 367 C5 G H 42 28.587 32.957 7.330 1.00 21.10 C ATOM 368 C6 G H 42 27.756 33.983 7.864 1.00 23.08 C ATOM 369 O6 G H 42 26.752 33.871 8.575 1.00 20.83 O ATOM 370 N1 G H 42 28.197 35.249 7.486 1.00 19.64 N ATOM 371 C2 G H 42 29.291 35.501 6.696 1.00 19.57 C ATOM 372 N2 G H 42 29.568 36.795 6.465 1.00 18.44 N ATOM 373 N3 G H 42 30.059 34.559 6.179 1.00 19.55 N ATOM 374 C4 G H 42 29.655 33.318 6.537 1.00 21.60 C ATOM 375 P G H 43 34.610 30.572 8.676 1.00 27.00 P ATOM 376 OP1 G H 43 36.011 30.092 8.841 1.00 28.53 O ATOM 377 OP2 G H 43 33.500 29.822 9.327 1.00 28.73 O ATOM 378 O5' G H 43 34.502 32.072 9.195 1.00 27.65 O ATOM 379 C5' G H 43 35.444 33.058 8.792 1.00 27.24 C ATOM 380 C4' G H 43 34.879 34.445 9.001 1.00 28.21 C ATOM 381 O4' G H 43 33.589 34.537 8.335 1.00 24.30 O ATOM 382 C3' G H 43 34.546 34.888 10.419 1.00 27.39 C ATOM 383 O3' G H 43 35.710 35.292 11.137 1.00 31.71 O ATOM 384 C2' G H 43 33.633 36.073 10.134 1.00 25.22 C ATOM 385 O2' G H 43 34.334 37.212 9.680 1.00 28.19 O ATOM 386 C1' G H 43 32.792 35.522 8.978 1.00 23.92 C ATOM 387 N9 G H 43 31.596 34.886 9.514 1.00 21.97 N ATOM 388 C8 G H 43 31.352 33.539 9.637 1.00 23.00 C ATOM 389 N7 G H 43 30.238 33.278 10.257 1.00 21.96 N ATOM 390 C5 G H 43 29.700 34.526 10.537 1.00 21.88 C ATOM 391 C6 G H 43 28.513 34.873 11.213 1.00 21.58 C ATOM 392 O6 G H 43 27.675 34.122 11.715 1.00 20.96 O ATOM 393 N1 G H 43 28.349 36.256 11.289 1.00 22.38 N ATOM 394 C2 G H 43 29.229 37.183 10.782 1.00 22.32 C ATOM 395 N2 G H 43 28.928 38.473 10.985 1.00 24.28 N ATOM 396 N3 G H 43 30.337 36.865 10.136 1.00 22.08 N ATOM 397 C4 G H 43 30.512 35.528 10.060 1.00 21.50 C ATOM 398 P G H 44 35.796 35.060 12.736 1.00 32.61 P ATOM 399 OP1 G H 44 37.165 35.484 13.142 1.00 34.87 O ATOM 400 OP2 G H 44 35.330 33.694 13.072 1.00 30.61 O ATOM 401 O5' G H 44 34.725 36.071 13.340 1.00 31.64 O ATOM 402 C5' G H 44 34.900 37.478 13.228 1.00 29.89 C ATOM 403 C4' G H 44 33.674 38.208 13.730 1.00 31.73 C ATOM 404 O4' G H 44 32.542 37.876 12.877 1.00 34.66 O ATOM 405 C3' G H 44 33.166 37.880 15.130 1.00 32.84 C ATOM 406 O3' G H 44 33.891 38.551 16.159 1.00 34.57 O ATOM 407 C2' G H 44 31.733 38.390 15.041 1.00 29.51 C ATOM 408 O2' G H 44 31.606 39.795 15.105 1.00 33.85 O ATOM 409 C1' G H 44 31.345 37.918 13.641 1.00 31.69 C ATOM 410 N9 G H 44 30.799 36.571 13.749 1.00 30.17 N ATOM 411 C8 G H 44 31.398 35.382 13.411 1.00 28.62 C ATOM 412 N7 G H 44 30.670 34.341 13.717 1.00 28.61 N ATOM 413 C5 G H 44 29.516 34.878 14.275 1.00 28.32 C ATOM 414 C6 G H 44 28.373 34.239 14.816 1.00 29.32 C ATOM 415 O6 G H 44 28.159 33.030 14.937 1.00 28.17 O ATOM 416 N1 G H 44 27.428 35.163 15.264 1.00 27.48 N ATOM 417 C2 G H 44 27.576 36.532 15.222 1.00 31.32 C ATOM 418 N2 G H 44 26.554 37.277 15.715 1.00 29.13 N ATOM 419 N3 G H 44 28.650 37.136 14.734 1.00 30.55 N ATOM 420 C4 G H 44 29.570 36.252 14.281 1.00 29.77 C ATOM 421 P A H 45 34.027 37.881 17.623 1.00 39.64 P ATOM 422 OP1 A H 45 34.751 38.867 18.466 1.00 42.81 O ATOM 423 OP2 A H 45 34.559 36.499 17.500 1.00 38.20 O ATOM 424 O5' A H 45 32.533 37.751 18.168 1.00 37.25 O ATOM 425 C5' A H 45 31.683 38.887 18.291 1.00 37.47 C ATOM 426 C4' A H 45 30.311 38.460 18.765 1.00 37.17 C ATOM 427 O4' A H 45 29.653 37.666 17.740 1.00 32.79 O ATOM 428 C3' A H 45 30.303 37.559 19.990 1.00 34.58 C ATOM 429 O3' A H 45 30.377 38.322 21.179 1.00 39.07 O ATOM 430 C2' A H 45 28.956 36.868 19.858 1.00 33.75 C ATOM 431 O2' A H 45 27.892 37.723 20.231 1.00 35.46 O ATOM 432 C1' A H 45 28.907 36.619 18.350 1.00 32.80 C ATOM 433 N9 A H 45 29.507 35.337 17.968 1.00 28.67 N ATOM 434 C8 A H 45 30.730 35.121 17.383 1.00 28.09 C ATOM 435 N7 A H 45 31.006 33.857 17.189 1.00 29.58 N ATOM 436 C5 A H 45 29.892 33.194 17.676 1.00 28.32 C ATOM 437 C6 A H 45 29.578 31.834 17.781 1.00 29.12 C ATOM 438 N6 A H 45 30.395 30.858 17.389 1.00 28.46 N ATOM 439 N1 A H 45 28.383 31.504 18.314 1.00 30.44 N ATOM 440 C2 A H 45 27.569 32.485 18.717 1.00 30.82 C ATOM 441 N3 A H 45 27.756 33.800 18.680 1.00 29.51 N ATOM 442 C4 A H 45 28.953 34.093 18.144 1.00 29.27 C ATOM 443 P G H 46 31.195 37.753 22.437 1.00 39.24 P ATOM 444 OP1 G H 46 31.038 38.760 23.513 1.00 44.27 O ATOM 445 OP2 G H 46 32.557 37.358 21.991 1.00 40.24 O ATOM 446 O5' G H 46 30.431 36.412 22.837 1.00 35.75 O ATOM 447 C5' G H 46 29.113 36.444 23.372 1.00 34.63 C ATOM 448 C4' G H 46 28.572 35.040 23.518 1.00 33.98 C ATOM 449 O4' G H 46 28.511 34.417 22.207 1.00 33.14 O ATOM 450 C3' G H 46 29.409 34.071 24.343 1.00 33.43 C ATOM 451 O3' G H 46 29.123 34.193 25.730 1.00 34.73 O ATOM 452 C2' G H 46 28.943 32.726 23.811 1.00 31.28 C ATOM 453 O2' G H 46 27.679 32.343 24.318 1.00 27.71 O ATOM 454 C1' G H 46 28.804 33.034 22.323 1.00 30.67 C ATOM 455 N9 G H 46 30.018 32.739 21.563 1.00 29.51 N ATOM 456 C8 G H 46 30.880 33.630 20.966 1.00 29.87 C ATOM 457 N7 G H 46 31.853 33.044 20.318 1.00 29.56 N ATOM 458 C5 G H 46 31.624 31.689 20.508 1.00 28.49 C ATOM 459 C6 G H 46 32.335 30.561 20.030 1.00 27.92 C ATOM 460 O6 G H 46 33.323 30.532 19.297 1.00 29.00 O ATOM 461 N1 G H 46 31.772 29.372 20.477 1.00 27.82 N ATOM 462 C2 G H 46 30.657 29.275 21.269 1.00 28.68 C ATOM 463 N2 G H 46 30.275 28.033 21.609 1.00 27.51 N ATOM 464 N3 G H 46 29.967 30.317 21.700 1.00 28.23 N ATOM 465 C4 G H 46 30.506 31.484 21.287 1.00 28.32 C ATOM 466 P U H 47 30.269 33.881 26.813 1.00 34.52 P ATOM 467 OP1 U H 47 29.738 34.326 28.129 1.00 35.17 O ATOM 468 OP2 U H 47 31.559 34.418 26.328 1.00 26.85 O ATOM 469 O5' U H 47 30.384 32.294 26.809 1.00 29.96 O ATOM 470 C5' U H 47 29.320 31.486 27.292 1.00 29.90 C ATOM 471 C4' U H 47 29.697 30.029 27.223 1.00 28.67 C ATOM 472 O4' U H 47 29.829 29.627 25.835 1.00 28.72 O ATOM 473 C3' U H 47 31.038 29.650 27.839 1.00 30.86 C ATOM 474 O3' U H 47 30.954 29.495 29.251 1.00 32.53 O ATOM 475 C2' U H 47 31.331 28.333 27.139 1.00 27.43 C ATOM 476 O2' U H 47 30.571 27.245 27.636 1.00 26.48 O ATOM 477 C1' U H 47 30.847 28.646 25.726 1.00 28.92 C ATOM 478 N1 U H 47 31.913 29.144 24.840 1.00 26.17 N ATOM 479 C2 U H 47 32.803 28.205 24.350 1.00 27.17 C ATOM 480 O2 U H 47 32.782 27.032 24.693 1.00 26.71 O ATOM 481 N3 U H 47 33.722 28.689 23.455 1.00 25.75 N ATOM 482 C4 U H 47 33.855 29.988 23.020 1.00 25.53 C ATOM 483 O4 U H 47 34.663 30.243 22.124 1.00 24.86 O ATOM 484 C5 U H 47 32.936 30.913 23.613 1.00 25.75 C ATOM 485 C6 U H 47 32.020 30.472 24.484 1.00 26.74 C ATOM 486 P C H 48 32.217 29.874 30.174 1.00 32.91 P ATOM 487 OP1 C H 48 31.760 29.870 31.589 1.00 33.74 O ATOM 488 OP2 C H 48 32.887 31.081 29.631 1.00 32.74 O ATOM 489 O5' C H 48 33.239 28.672 29.946 1.00 32.09 O ATOM 490 C5' C H 48 32.918 27.341 30.331 1.00 29.31 C ATOM 491 C4' C H 48 34.017 26.393 29.900 1.00 28.64 C ATOM 492 O4' C H 48 34.065 26.306 28.452 1.00 30.27 O ATOM 493 C3' C H 48 35.434 26.796 30.277 1.00 28.58 C ATOM 494 O3' C H 48 35.733 26.466 31.624 1.00 28.83 O ATOM 495 C2' C H 48 36.262 25.980 29.298 1.00 27.59 C ATOM 496 O2' C H 48 36.368 24.621 29.676 1.00 30.27 O ATOM 497 C1' C H 48 35.408 26.090 28.035 1.00 27.90 C ATOM 498 N1 C H 48 35.816 27.194 27.144 1.00 26.49 N ATOM 499 C2 C H 48 36.843 26.965 26.215 1.00 25.59 C ATOM 500 O2 C H 48 37.431 25.867 26.225 1.00 25.33 O ATOM 501 N3 C H 48 37.173 27.946 25.336 1.00 25.01 N ATOM 502 C4 C H 48 36.531 29.117 25.371 1.00 26.01 C ATOM 503 N4 C H 48 36.848 30.034 24.451 1.00 23.47 N ATOM 504 C5 C H 48 35.522 29.394 26.340 1.00 25.95 C ATOM 505 C6 C H 48 35.198 28.414 27.198 1.00 26.27 C ATOM 506 P C H 49 36.837 27.316 32.422 1.00 32.54 P ATOM 507 OP1 C H 49 36.854 26.782 33.808 1.00 35.77 O ATOM 508 OP2 C H 49 36.577 28.762 32.198 1.00 29.72 O ATOM 509 O5' C H 49 38.211 26.916 31.723 1.00 34.42 O ATOM 510 C5' C H 49 38.758 25.611 31.906 1.00 30.75 C ATOM 511 C4' C H 49 39.950 25.405 31.004 1.00 30.58 C ATOM 512 O4' C H 49 39.534 25.575 29.625 1.00 30.22 O ATOM 513 C3' C H 49 41.091 26.399 31.155 1.00 32.68 C ATOM 514 O3' C H 49 41.961 26.209 32.264 1.00 30.07 O ATOM 515 C2' C H 49 41.802 26.259 29.821 1.00 29.84 C ATOM 516 O2' C H 49 42.612 25.103 29.759 1.00 31.97 O ATOM 517 C1' C H 49 40.609 26.115 28.873 1.00 29.37 C ATOM 518 N1 C H 49 40.188 27.406 28.297 1.00 26.40 N ATOM 519 C2 C H 49 40.782 27.823 27.100 1.00 26.06 C ATOM 520 O2 C H 49 41.664 27.120 26.592 1.00 25.90 O ATOM 521 N3 C H 49 40.388 28.984 26.532 1.00 25.45 N ATOM 522 C4 C H 49 39.452 29.728 27.122 1.00 25.47 C ATOM 523 N4 C H 49 39.086 30.862 26.519 1.00 23.31 N ATOM 524 C5 C H 49 38.847 29.342 28.355 1.00 24.70 C ATOM 525 C6 C H 49 39.240 28.182 28.902 1.00 25.69 C TER 526 C H 49 HETATM 527 MG MG G 413 37.729 32.890 20.691 1.00 45.83 MG HETATM 528 MG MG G 414 20.546 36.526 6.275 1.00 26.43 MG HETATM 529 MG MG H 415 25.612 30.257 10.772 1.00 24.40 MG HETATM 530 SR SR H 423 31.542 30.367 13.390 1.00 65.43 SR HETATM 531 O HOH G 35 19.247 27.334 24.701 1.00 29.69 O HETATM 532 O HOH G 118 36.587 22.504 24.112 1.00 44.83 O HETATM 533 O HOH G 169 23.807 24.716 22.856 1.00 68.16 O HETATM 534 O HOH G 196 20.027 25.735 26.682 1.00 49.33 O HETATM 535 O HOH G 202 22.343 37.738 6.936 1.00 29.41 O HETATM 536 O HOH G 203 21.635 35.079 7.437 1.00 24.55 O HETATM 537 O HOH G 205 21.691 35.844 4.613 1.00 22.62 O HETATM 538 O HOH G 206 19.577 37.294 7.945 1.00 26.06 O HETATM 539 O HOH G 208 16.647 36.422 18.264 1.00 39.42 O HETATM 540 O HOH G 210 15.864 28.071 15.393 1.00 26.12 O HETATM 541 O HOH G 212 21.677 40.548 7.316 1.00 24.85 O HETATM 542 O HOH G 213 22.362 38.015 2.616 1.00 29.15 O HETATM 543 O HOH G 215 18.379 26.214 12.252 1.00 49.22 O HETATM 544 O HOH G 216 15.740 35.364 16.283 1.00 48.40 O HETATM 545 O HOH G 218 23.361 45.008 13.802 1.00 38.50 O HETATM 546 O HOH G 219 19.564 39.311 17.909 1.00 32.43 O HETATM 547 O HOH G 220 17.583 42.297 12.379 1.00 50.22 O HETATM 548 O HOH G 222 38.278 30.992 20.437 1.00 26.06 O HETATM 549 O HOH G 224 37.929 32.974 22.906 1.00 38.16 O HETATM 550 O HOH G 225 39.532 33.593 20.433 1.00 35.44 O HETATM 551 O HOH G 228 24.547 31.060 12.536 1.00 23.79 O HETATM 552 O HOH G 229 27.015 29.779 12.131 1.00 36.29 O HETATM 553 O HOH G 231 24.777 28.225 10.860 1.00 37.29 O HETATM 554 O HOH G 234 34.851 30.048 15.879 1.00 39.15 O HETATM 555 O HOH G 235 37.181 29.322 15.159 1.00 51.03 O HETATM 556 O HOH G 237 22.785 28.531 19.798 1.00 38.19 O HETATM 557 O HOH G 238 46.363 25.192 21.287 1.00 30.69 O HETATM 558 O HOH G 239 37.755 36.024 24.010 1.00 58.72 O HETATM 559 O HOH G 240 30.902 24.731 23.799 1.00 51.21 O HETATM 560 O HOH G 248 29.968 36.487 2.291 1.00 31.63 O HETATM 561 O HOH G 249 27.673 26.164 -0.025 1.00 37.11 O HETATM 562 O HOH G 250 42.860 35.011 10.505 1.00 65.49 O HETATM 563 O HOH G 251 41.845 18.709 15.494 1.00 69.83 O HETATM 564 O HOH G 252 37.226 24.070 16.322 1.00 43.92 O HETATM 565 O HOH G 253 22.425 29.465 22.143 1.00 55.69 O HETATM 566 O HOH G 255 22.285 41.844 1.204 1.00 41.28 O HETATM 567 O HOH G 257 22.504 38.608 -0.445 1.00 31.93 O HETATM 568 O HOH G 258 17.144 36.436 11.278 1.00 43.34 O HETATM 569 O HOH G 259 29.271 37.012 -4.809 1.00 36.78 O HETATM 570 O HOH G 260 16.186 32.500 15.808 1.00 27.29 O HETATM 571 O HOH G 261 27.954 28.778 15.360 1.00 43.01 O HETATM 572 O HOH G 263 27.246 29.004 -0.583 1.00 33.71 O HETATM 573 O HOH G 264 20.766 38.412 10.358 1.00 28.89 O HETATM 574 O HOH G 268 30.078 41.365 0.835 1.00 36.67 O HETATM 575 O HOH G 269 20.620 45.325 13.997 1.00 58.79 O HETATM 576 O HOH G 271 23.642 36.833 17.285 1.00 40.80 O HETATM 577 O HOH G 275 30.033 24.580 0.537 1.00 46.98 O HETATM 578 O HOH G 277 21.144 24.122 12.973 1.00 45.88 O HETATM 579 O HOH G 278 33.388 18.326 24.343 1.00 59.49 O HETATM 580 O HOH G 280 22.028 36.088 10.032 1.00 18.75 O HETATM 581 O HOH G 284 32.253 29.623 15.566 1.00 31.09 O HETATM 582 O HOH G 320 12.413 34.431 17.715 1.00 60.59 O HETATM 583 O HOH G 326 22.182 29.000 24.994 1.00 49.58 O HETATM 584 O HOH G 336 25.016 34.586 16.610 1.00 40.96 O HETATM 585 O HOH G 337 47.235 35.381 15.707 1.00 42.94 O HETATM 586 O HOH G 342 35.491 16.701 22.544 1.00 56.15 O HETATM 587 O HOH G 381 16.643 37.148 8.461 1.00 39.81 O HETATM 588 O HOH G 399 40.192 30.140 18.429 1.00 42.56 O HETATM 589 O HOH G 400 26.611 26.963 14.777 1.00 57.79 O HETATM 590 O HOH G 402 21.295 30.791 9.747 1.00 39.19 O HETATM 591 O HOH G 403 31.999 25.746 11.861 1.00 51.74 O HETATM 592 O HOH G 404 26.354 26.783 22.809 1.00 51.99 O HETATM 593 O HOH G 408 21.978 46.038 4.268 1.00 51.44 O HETATM 594 O HOH G 409 26.346 46.597 5.158 1.00 42.65 O HETATM 595 O HOH H 84 35.420 22.928 32.272 1.00 48.93 O HETATM 596 O HOH H 96 35.225 32.013 17.886 1.00 23.62 O HETATM 597 O HOH H 201 19.019 35.189 5.760 1.00 26.30 O HETATM 598 O HOH H 204 19.520 38.004 4.909 1.00 23.74 O HETATM 599 O HOH H 207 19.697 28.857 10.116 1.00 31.38 O HETATM 600 O HOH H 209 17.671 33.519 7.680 1.00 30.60 O HETATM 601 O HOH H 211 20.350 26.296 0.867 1.00 30.04 O HETATM 602 O HOH H 217 19.602 23.684 2.963 1.00 32.59 O HETATM 603 O HOH H 221 35.539 32.639 21.200 1.00 37.86 O HETATM 604 O HOH H 223 37.336 33.165 18.849 1.00 31.04 O HETATM 605 O HOH H 226 36.876 34.928 20.860 1.00 28.94 O HETATM 606 O HOH H 227 23.854 30.717 9.364 1.00 25.58 O HETATM 607 O HOH H 230 26.801 29.590 9.107 1.00 17.43 O HETATM 608 O HOH H 232 26.087 32.277 10.315 1.00 29.09 O HETATM 609 O HOH H 233 34.353 34.366 19.550 1.00 46.24 O HETATM 610 O HOH H 236 32.498 32.267 13.531 1.00 47.95 O HETATM 611 O HOH H 241 39.080 30.544 31.820 1.00 38.73 O HETATM 612 O HOH H 243 33.297 29.949 12.049 1.00 35.18 O HETATM 613 O HOH H 245 27.791 26.453 11.511 1.00 42.36 O HETATM 614 O HOH H 246 35.901 32.605 24.676 1.00 42.26 O HETATM 615 O HOH H 247 22.489 22.329 9.330 1.00 41.26 O HETATM 616 O HOH H 254 39.054 27.164 35.368 1.00 47.08 O HETATM 617 O HOH H 256 26.930 29.369 19.094 1.00 35.60 O HETATM 618 O HOH H 262 28.475 40.216 15.116 1.00 48.79 O HETATM 619 O HOH H 266 41.631 30.566 33.321 1.00 49.35 O HETATM 620 O HOH H 267 33.941 32.576 27.247 1.00 39.48 O HETATM 621 O HOH H 270 29.483 30.979 14.171 1.00 31.42 O HETATM 622 O HOH H 272 24.752 23.813 10.114 1.00 37.25 O HETATM 623 O HOH H 273 30.320 41.007 10.904 1.00 64.52 O HETATM 624 O HOH H 274 35.838 30.695 30.349 1.00 39.66 O HETATM 625 O HOH H 276 37.132 38.164 9.886 1.00 41.36 O HETATM 626 O HOH H 279 18.988 23.885 11.060 1.00 54.75 O HETATM 627 O HOH H 281 20.496 32.602 7.670 1.00 24.96 O HETATM 628 O HOH H 282 23.629 27.041 8.566 1.00 24.72 O HETATM 629 O HOH H 283 29.972 30.449 11.219 1.00 25.61 O HETATM 630 O HOH H 289 30.819 30.239 1.491 1.00 31.54 O HETATM 631 O HOH H 304 40.796 27.405 37.834 1.00 46.77 O HETATM 632 O HOH H 309 33.585 34.373 24.267 1.00 37.75 O HETATM 633 O HOH H 316 30.337 24.289 9.236 1.00 63.22 O HETATM 634 O HOH H 328 32.930 40.599 24.603 1.00 52.19 O HETATM 635 O HOH H 338 26.078 29.923 28.368 1.00 57.83 O HETATM 636 O HOH H 353 35.048 25.573 5.234 1.00 48.59 O HETATM 637 O HOH H 354 29.642 26.522 13.109 1.00 49.06 O HETATM 638 O HOH H 357 26.167 30.894 14.758 1.00 31.59 O HETATM 639 O HOH H 358 30.840 28.746 9.543 1.00 27.52 O HETATM 640 O HOH H 369 27.426 26.865 8.553 1.00 25.27 O HETATM 641 O HOH H 398 36.834 32.689 27.414 1.00 34.95 O HETATM 642 O HOH H 401 22.269 25.388 11.176 1.00 54.86 O HETATM 643 O HOH H 405 31.085 24.494 27.122 1.00 63.27 O HETATM 644 O HOH H 407 31.214 24.427 30.888 1.00 50.78 O ENDMDL MASTER 32 0 0 0 0 0 28 6 630 2 0 8 END