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 E 18 -9.663 12.851 17.339 1.00 33.90 O ATOM 2 C5' C E 18 -10.765 12.430 16.539 1.00 30.98 C ATOM 3 C4' C E 18 -11.968 13.321 16.724 1.00 27.83 C ATOM 4 O4' C E 18 -12.407 13.253 18.110 1.00 22.99 O ATOM 5 C3' C E 18 -11.741 14.814 16.511 1.00 28.22 C ATOM 6 O3' C E 18 -11.775 15.187 15.141 1.00 26.34 O ATOM 7 C2' C E 18 -12.930 15.400 17.250 1.00 24.13 C ATOM 8 O2' C E 18 -14.132 15.273 16.520 1.00 27.02 O ATOM 9 C1' C E 18 -12.967 14.506 18.489 1.00 23.55 C ATOM 10 N1 C E 18 -12.159 15.104 19.576 1.00 23.90 N ATOM 11 C2 C E 18 -12.732 16.130 20.331 1.00 23.67 C ATOM 12 O2 C E 18 -13.892 16.484 20.071 1.00 21.76 O ATOM 13 N3 C E 18 -12.011 16.713 21.320 1.00 21.35 N ATOM 14 C4 C E 18 -10.766 16.303 21.565 1.00 23.44 C ATOM 15 N4 C E 18 -10.088 16.905 22.552 1.00 20.88 N ATOM 16 C5 C E 18 -10.154 15.255 20.811 1.00 24.17 C ATOM 17 C6 C E 18 -10.881 14.688 19.838 1.00 22.10 C ATOM 18 P G E 19 -10.902 16.442 14.625 1.00 28.49 P ATOM 19 OP1 G E 19 -11.070 16.445 13.148 1.00 28.78 O ATOM 20 OP2 G E 19 -9.542 16.360 15.206 1.00 29.72 O ATOM 21 O5' G E 19 -11.616 17.726 15.251 1.00 24.69 O ATOM 22 C5' G E 19 -12.972 18.045 14.942 1.00 24.47 C ATOM 23 C4' G E 19 -13.447 19.230 15.763 1.00 26.06 C ATOM 24 O4' G E 19 -13.474 18.878 17.172 1.00 23.59 O ATOM 25 C3' G E 19 -12.593 20.491 15.734 1.00 27.90 C ATOM 26 O3' G E 19 -12.828 21.278 14.571 1.00 31.14 O ATOM 27 C2' G E 19 -13.068 21.210 16.988 1.00 24.29 C ATOM 28 O2' G E 19 -14.324 21.838 16.813 1.00 30.17 O ATOM 29 C1' G E 19 -13.225 20.037 17.957 1.00 23.15 C ATOM 30 N9 G E 19 -12.037 19.801 18.775 1.00 22.47 N ATOM 31 C8 G E 19 -11.119 18.787 18.630 1.00 20.90 C ATOM 32 N7 G E 19 -10.181 18.812 19.538 1.00 22.18 N ATOM 33 C5 G E 19 -10.492 19.913 20.328 1.00 21.45 C ATOM 34 C6 G E 19 -9.834 20.439 21.472 1.00 21.19 C ATOM 35 O6 G E 19 -8.832 20.005 22.049 1.00 21.51 O ATOM 36 N1 G E 19 -10.470 21.584 21.951 1.00 21.74 N ATOM 37 C2 G E 19 -11.605 22.140 21.406 1.00 21.12 C ATOM 38 N2 G E 19 -12.076 23.251 22.004 1.00 19.15 N ATOM 39 N3 G E 19 -12.233 21.647 20.352 1.00 21.48 N ATOM 40 C4 G E 19 -11.626 20.542 19.866 1.00 20.58 C ATOM 41 P G E 20 -11.658 22.231 14.005 1.00 30.01 P ATOM 42 OP1 G E 20 -12.075 22.659 12.647 1.00 34.15 O ATOM 43 OP2 G E 20 -10.344 21.573 14.194 1.00 30.00 O ATOM 44 O5' G E 20 -11.692 23.495 14.966 1.00 26.53 O ATOM 45 C5' G E 20 -12.712 24.473 14.845 1.00 32.17 C ATOM 46 C4' G E 20 -12.503 25.568 15.855 1.00 27.46 C ATOM 47 O4' G E 20 -12.640 25.021 17.194 1.00 27.56 O ATOM 48 C3' G E 20 -11.125 26.212 15.872 1.00 29.42 C ATOM 49 O3' G E 20 -10.996 27.194 14.851 1.00 30.30 O ATOM 50 C2' G E 20 -11.125 26.826 17.261 1.00 28.42 C ATOM 51 O2' G E 20 -12.005 27.931 17.350 1.00 28.18 O ATOM 52 C1' G E 20 -11.736 25.682 18.070 1.00 26.34 C ATOM 53 N9 G E 20 -10.722 24.728 18.520 1.00 23.46 N ATOM 54 C8 G E 20 -10.354 23.539 17.930 1.00 24.37 C ATOM 55 N7 G E 20 -9.402 22.917 18.582 1.00 22.82 N ATOM 56 C5 G E 20 -9.128 23.747 19.662 1.00 23.00 C ATOM 57 C6 G E 20 -8.181 23.610 20.712 1.00 23.22 C ATOM 58 O6 G E 20 -7.375 22.693 20.905 1.00 25.41 O ATOM 59 N1 G E 20 -8.227 24.693 21.588 1.00 23.17 N ATOM 60 C2 G E 20 -9.073 25.771 21.468 1.00 25.37 C ATOM 61 N2 G E 20 -8.962 26.732 22.402 1.00 22.98 N ATOM 62 N3 G E 20 -9.963 25.904 20.496 1.00 22.53 N ATOM 63 C4 G E 20 -9.934 24.866 19.637 1.00 23.09 C ATOM 64 P A E 21 -9.538 27.578 14.279 1.00 30.84 P ATOM 65 OP1 A E 21 -9.788 28.572 13.205 1.00 33.41 O ATOM 66 OP2 A E 21 -8.774 26.340 13.970 1.00 29.11 O ATOM 67 O5' A E 21 -8.812 28.304 15.500 1.00 30.96 O ATOM 68 C5' A E 21 -9.310 29.533 16.025 1.00 30.61 C ATOM 69 C4' A E 21 -8.562 29.916 17.283 1.00 30.96 C ATOM 70 O4' A E 21 -8.765 28.903 18.304 1.00 28.14 O ATOM 71 C3' A E 21 -7.051 30.021 17.151 1.00 33.89 C ATOM 72 O3' A E 21 -6.681 31.296 16.632 1.00 36.01 O ATOM 73 C2' A E 21 -6.583 29.810 18.587 1.00 29.71 C ATOM 74 O2' A E 21 -6.677 30.965 19.389 1.00 33.78 O ATOM 75 C1' A E 21 -7.585 28.764 19.083 1.00 32.28 C ATOM 76 N9 A E 21 -7.067 27.412 18.898 1.00 27.32 N ATOM 77 C8 A E 21 -7.312 26.541 17.869 1.00 27.40 C ATOM 78 N7 A E 21 -6.652 25.416 17.963 1.00 28.30 N ATOM 79 C5 A E 21 -5.929 25.554 19.136 1.00 25.64 C ATOM 80 C6 A E 21 -5.019 24.707 19.788 1.00 25.97 C ATOM 81 N6 A E 21 -4.651 23.517 19.314 1.00 23.64 N ATOM 82 N1 A E 21 -4.488 25.135 20.952 1.00 25.88 N ATOM 83 C2 A E 21 -4.837 26.343 21.410 1.00 27.45 C ATOM 84 N3 A E 21 -5.669 27.235 20.880 1.00 26.78 N ATOM 85 C4 A E 21 -6.189 26.770 19.731 1.00 27.36 C ATOM 86 P C E 22 -5.216 31.502 16.006 1.00 40.29 P ATOM 87 OP1 C E 22 -5.133 32.874 15.438 1.00 42.85 O ATOM 88 OP2 C E 22 -4.905 30.334 15.147 1.00 38.72 O ATOM 89 O5' C E 22 -4.289 31.446 17.295 1.00 40.27 O ATOM 90 C5' C E 22 -2.931 31.092 17.204 1.00 37.32 C ATOM 91 C4' C E 22 -2.455 30.601 18.537 1.00 38.79 C ATOM 92 O4' C E 22 -3.232 29.465 18.968 1.00 37.21 O ATOM 93 C3' C E 22 -1.050 30.067 18.495 1.00 36.53 C ATOM 94 O3' C E 22 -0.223 31.196 18.621 1.00 41.21 O ATOM 95 C2' C E 22 -1.008 29.173 19.725 1.00 33.04 C ATOM 96 O2' C E 22 -0.885 29.856 20.964 1.00 35.94 O ATOM 97 C1' C E 22 -2.388 28.536 19.632 1.00 30.42 C ATOM 98 N1 C E 22 -2.354 27.282 18.858 1.00 27.31 N ATOM 99 C2 C E 22 -1.671 26.199 19.409 1.00 26.65 C ATOM 100 O2 C E 22 -1.105 26.344 20.506 1.00 25.50 O ATOM 101 N3 C E 22 -1.637 25.028 18.744 1.00 26.14 N ATOM 102 C4 C E 22 -2.252 24.911 17.566 1.00 25.81 C ATOM 103 N4 C E 22 -2.207 23.723 16.957 1.00 28.11 N ATOM 104 C5 C E 22 -2.944 26.004 16.964 1.00 27.43 C ATOM 105 C6 C E 22 -2.971 27.163 17.639 1.00 25.60 C ATOM 106 P C E 23 1.119 31.272 17.786 1.00 39.14 P ATOM 107 OP1 C E 23 1.638 32.549 18.248 1.00 39.84 O ATOM 108 OP2 C E 23 0.838 31.034 16.340 1.00 40.30 O ATOM 109 O5' C E 23 2.000 30.094 18.379 1.00 36.87 O ATOM 110 C5' C E 23 2.454 30.094 19.740 1.00 39.29 C ATOM 111 C4' C E 23 2.968 28.718 20.061 1.00 39.85 C ATOM 112 O4' C E 23 2.110 27.844 19.360 1.00 40.91 O ATOM 113 C3' C E 23 4.366 28.477 19.515 1.00 41.14 C ATOM 114 O3' C E 23 5.042 27.689 20.507 1.00 42.98 O ATOM 115 C2' C E 23 4.165 27.576 18.305 1.00 39.47 C ATOM 116 O2' C E 23 5.250 26.729 18.051 1.00 41.34 O ATOM 117 C1' C E 23 2.851 26.887 18.678 1.00 35.74 C ATOM 118 N1 C E 23 1.961 26.404 17.642 1.00 33.18 N ATOM 119 C2 C E 23 1.899 25.015 17.315 1.00 32.82 C ATOM 120 O2 C E 23 2.528 24.169 17.993 1.00 35.03 O ATOM 121 N3 C E 23 1.095 24.647 16.296 1.00 32.52 N ATOM 122 C4 C E 23 0.383 25.574 15.641 1.00 33.79 C ATOM 123 N4 C E 23 -0.326 25.208 14.581 1.00 34.61 N ATOM 124 C5 C E 23 0.384 26.937 16.015 1.00 34.35 C ATOM 125 C6 C E 23 1.162 27.303 17.003 1.00 32.68 C ATOM 126 P G E 24 6.138 28.330 21.469 1.00 46.20 P ATOM 127 OP1 G E 24 6.069 27.634 22.790 1.00 46.36 O ATOM 128 OP2 G E 24 5.907 29.770 21.373 1.00 46.05 O ATOM 129 O5' G E 24 7.508 27.902 20.784 1.00 42.18 O ATOM 130 C5' G E 24 8.165 28.716 19.820 1.00 31.92 C ATOM 131 C4' G E 24 9.596 28.262 19.683 1.00 24.98 C ATOM 132 O4' G E 24 10.402 28.864 20.720 1.00 23.86 O ATOM 133 C3' G E 24 9.841 26.762 19.827 1.00 21.94 C ATOM 134 O3' G E 24 9.635 26.138 18.571 1.00 23.95 O ATOM 135 C2' G E 24 11.311 26.717 20.229 1.00 22.93 C ATOM 136 O2' G E 24 12.160 26.888 19.111 1.00 23.63 O ATOM 137 C1' G E 24 11.415 27.952 21.126 1.00 23.11 C ATOM 138 N9 G E 24 11.249 27.701 22.554 1.00 17.71 N ATOM 139 C8 G E 24 10.133 27.971 23.315 1.00 19.07 C ATOM 140 N7 G E 24 10.298 27.708 24.581 1.00 17.93 N ATOM 141 C5 G E 24 11.594 27.217 24.664 1.00 19.94 C ATOM 142 C6 G E 24 12.337 26.777 25.789 1.00 18.15 C ATOM 143 O6 G E 24 11.984 26.723 26.980 1.00 21.43 O ATOM 144 N1 G E 24 13.619 26.368 25.425 1.00 18.00 N ATOM 145 C2 G E 24 14.120 26.370 24.145 1.00 17.56 C ATOM 146 N2 G E 24 15.389 25.921 24.000 1.00 16.32 N ATOM 147 N3 G E 24 13.434 26.777 23.084 1.00 17.34 N ATOM 148 C4 G E 24 12.189 27.187 23.416 1.00 19.95 C ATOM 149 P A E 25 9.163 24.603 18.492 1.00 20.55 P ATOM 150 OP1 A E 25 7.890 24.584 17.714 1.00 21.30 O ATOM 151 OP2 A E 25 9.201 23.986 19.845 1.00 19.42 O ATOM 152 O5' A E 25 10.308 23.943 17.608 1.00 18.35 O ATOM 153 C5' A E 25 10.536 24.360 16.263 1.00 18.07 C ATOM 154 C4' A E 25 11.752 23.661 15.701 1.00 21.32 C ATOM 155 O4' A E 25 12.910 24.032 16.488 1.00 23.53 O ATOM 156 C3' A E 25 11.703 22.137 15.757 1.00 18.34 C ATOM 157 O3' A E 25 11.097 21.651 14.559 1.00 20.88 O ATOM 158 C2' A E 25 13.181 21.769 15.824 1.00 19.76 C ATOM 159 O2' A E 25 13.796 21.842 14.553 1.00 23.02 O ATOM 160 C1' A E 25 13.731 22.900 16.694 1.00 23.54 C ATOM 161 N9 A E 25 13.763 22.629 18.131 1.00 21.07 N ATOM 162 C8 A E 25 12.975 23.184 19.105 1.00 16.60 C ATOM 163 N7 A E 25 13.304 22.823 20.318 1.00 20.39 N ATOM 164 C5 A E 25 14.366 21.953 20.128 1.00 19.89 C ATOM 165 C6 A E 25 15.175 21.243 21.029 1.00 19.92 C ATOM 166 N6 A E 25 15.022 21.299 22.353 1.00 18.84 N ATOM 167 N1 A E 25 16.155 20.461 20.515 1.00 18.34 N ATOM 168 C2 A E 25 16.292 20.398 19.185 1.00 18.69 C ATOM 169 N3 A E 25 15.589 21.020 18.234 1.00 20.05 N ATOM 170 C4 A E 25 14.637 21.798 18.783 1.00 21.00 C ATOM 171 P G E 26 10.238 20.289 14.579 1.00 20.38 P ATOM 172 OP1 G E 26 9.523 20.244 13.285 1.00 19.33 O ATOM 173 OP2 G E 26 9.463 20.241 15.852 1.00 20.34 O ATOM 174 O5' G E 26 11.311 19.101 14.656 1.00 25.57 O ATOM 175 C5' G E 26 12.426 18.972 13.746 1.00 23.59 C ATOM 176 C4' G E 26 13.371 17.908 14.285 1.00 25.00 C ATOM 177 O4' G E 26 13.921 18.335 15.559 1.00 22.09 O ATOM 178 C3' G E 26 12.629 16.584 14.523 1.00 22.41 C ATOM 179 O3' G E 26 13.449 15.510 14.039 1.00 26.10 O ATOM 180 C2' G E 26 12.603 16.438 16.042 1.00 20.68 C ATOM 181 O2' G E 26 12.610 15.154 16.608 1.00 22.51 O ATOM 182 C1' G E 26 13.829 17.252 16.443 1.00 19.50 C ATOM 183 N9 G E 26 13.916 17.662 17.836 1.00 20.05 N ATOM 184 C8 G E 26 14.876 17.236 18.721 1.00 20.56 C ATOM 185 N7 G E 26 14.659 17.629 19.944 1.00 18.84 N ATOM 186 C5 G E 26 13.501 18.389 19.857 1.00 20.20 C ATOM 187 C6 G E 26 12.782 19.056 20.865 1.00 18.40 C ATOM 188 O6 G E 26 13.010 19.079 22.085 1.00 19.43 O ATOM 189 N1 G E 26 11.682 19.731 20.346 1.00 17.41 N ATOM 190 C2 G E 26 11.309 19.738 19.027 1.00 18.22 C ATOM 191 N2 G E 26 10.199 20.428 18.741 1.00 17.84 N ATOM 192 N3 G E 26 11.971 19.107 18.068 1.00 19.12 N ATOM 193 C4 G E 26 13.049 18.451 18.554 1.00 20.09 C ATOM 194 P C E 27 13.051 14.660 12.743 1.00 24.48 P ATOM 195 OP1 C E 27 14.141 13.661 12.575 1.00 28.24 O ATOM 196 OP2 C E 27 12.743 15.589 11.631 1.00 24.95 O ATOM 197 O5' C E 27 11.726 13.895 13.161 1.00 20.73 O ATOM 198 C5' C E 27 11.762 12.760 14.023 1.00 23.84 C ATOM 199 C4' C E 27 10.395 12.135 14.076 1.00 27.43 C ATOM 200 O4' C E 27 9.501 12.969 14.863 1.00 26.17 O ATOM 201 C3' C E 27 9.740 12.057 12.708 1.00 24.42 C ATOM 202 O3' C E 27 10.158 10.897 12.003 1.00 28.74 O ATOM 203 C2' C E 27 8.262 12.059 13.058 1.00 26.73 C ATOM 204 O2' C E 27 7.834 10.789 13.510 1.00 28.28 O ATOM 205 C1' C E 27 8.238 13.061 14.218 1.00 27.10 C ATOM 206 N1 C E 27 8.004 14.474 13.816 1.00 23.74 N ATOM 207 C2 C E 27 6.773 14.820 13.218 1.00 22.92 C ATOM 208 O2 C E 27 5.918 13.941 13.046 1.00 22.53 O ATOM 209 N3 C E 27 6.550 16.108 12.851 1.00 20.43 N ATOM 210 C4 C E 27 7.485 17.038 13.068 1.00 23.61 C ATOM 211 N4 C E 27 7.212 18.302 12.700 1.00 21.62 N ATOM 212 C5 C E 27 8.741 16.718 13.673 1.00 23.72 C ATOM 213 C6 C E 27 8.956 15.438 14.025 1.00 25.35 C ATOM 214 P C E 28 10.228 10.920 10.397 1.00 29.05 P ATOM 215 OP1 C E 28 10.865 9.650 9.970 1.00 35.03 O ATOM 216 OP2 C E 28 10.779 12.210 9.913 1.00 30.84 O ATOM 217 O5' C E 28 8.697 10.886 9.972 1.00 29.07 O ATOM 218 C5' C E 28 7.865 9.798 10.352 1.00 31.06 C ATOM 219 C4' C E 28 6.502 9.950 9.731 1.00 31.09 C ATOM 220 O4' C E 28 5.805 11.052 10.370 1.00 30.15 O ATOM 221 C3' C E 28 6.476 10.312 8.252 1.00 31.85 C ATOM 222 O3' C E 28 6.664 9.184 7.405 1.00 32.55 O ATOM 223 C2' C E 28 5.086 10.916 8.112 1.00 32.75 C ATOM 224 O2' C E 28 4.055 9.947 8.097 1.00 34.83 O ATOM 225 C1' C E 28 4.991 11.712 9.414 1.00 27.98 C ATOM 226 N1 C E 28 5.444 13.108 9.269 1.00 25.61 N ATOM 227 C2 C E 28 4.537 14.039 8.762 1.00 24.40 C ATOM 228 O2 C E 28 3.412 13.645 8.406 1.00 24.60 O ATOM 229 N3 C E 28 4.900 15.336 8.665 1.00 20.99 N ATOM 230 C4 C E 28 6.119 15.718 9.041 1.00 20.90 C ATOM 231 N4 C E 28 6.417 17.020 8.949 1.00 18.47 N ATOM 232 C5 C E 28 7.084 14.785 9.534 1.00 20.77 C ATOM 233 C6 C E 28 6.709 13.500 9.628 1.00 22.89 C ATOM 234 P A E 29 7.287 9.387 5.936 1.00 34.49 P ATOM 235 OP1 A E 29 7.477 8.044 5.343 1.00 39.53 O ATOM 236 OP2 A E 29 8.433 10.329 5.995 1.00 28.16 O ATOM 237 O5' A E 29 6.132 10.115 5.122 1.00 31.10 O ATOM 238 C5' A E 29 4.913 9.443 4.844 1.00 30.92 C ATOM 239 C4' A E 29 3.943 10.376 4.170 1.00 31.39 C ATOM 240 O4' A E 29 3.632 11.463 5.074 1.00 28.85 O ATOM 241 C3' A E 29 4.431 11.079 2.911 1.00 32.07 C ATOM 242 O3' A E 29 4.243 10.266 1.767 1.00 36.38 O ATOM 243 C2' A E 29 3.499 12.275 2.846 1.00 32.79 C ATOM 244 O2' A E 29 2.226 11.907 2.353 1.00 36.19 O ATOM 245 C1' A E 29 3.391 12.638 4.327 1.00 28.99 C ATOM 246 N9 A E 29 4.351 13.660 4.740 1.00 25.65 N ATOM 247 C8 A E 29 5.552 13.531 5.395 1.00 24.86 C ATOM 248 N7 A E 29 6.153 14.674 5.618 1.00 25.85 N ATOM 249 C5 A E 29 5.288 15.617 5.076 1.00 24.82 C ATOM 250 C6 A E 29 5.334 17.018 4.993 1.00 24.87 C ATOM 251 N6 A E 29 6.321 17.763 5.490 1.00 20.52 N ATOM 252 N1 A E 29 4.307 17.643 4.374 1.00 24.95 N ATOM 253 C2 A E 29 3.306 16.905 3.889 1.00 23.36 C ATOM 254 N3 A E 29 3.144 15.595 3.917 1.00 22.16 N ATOM 255 C4 A E 29 4.180 15.002 4.529 1.00 25.85 C ATOM 256 P G E 30 5.206 10.443 0.497 1.00 39.66 P ATOM 257 OP1 G E 30 4.999 9.232 -0.334 1.00 37.78 O ATOM 258 OP2 G E 30 6.570 10.786 0.972 1.00 39.03 O ATOM 259 O5' G E 30 4.618 11.710 -0.271 1.00 36.98 O ATOM 260 C5' G E 30 3.373 11.637 -0.961 1.00 36.86 C ATOM 261 C4' G E 30 2.967 13.006 -1.449 1.00 38.88 C ATOM 262 O4' G E 30 2.876 13.905 -0.313 1.00 37.03 O ATOM 263 C3' G E 30 3.952 13.694 -2.381 1.00 36.74 C ATOM 264 O3' G E 30 3.813 13.248 -3.728 1.00 37.00 O ATOM 265 C2' G E 30 3.591 15.162 -2.204 1.00 38.05 C ATOM 266 O2' G E 30 2.446 15.530 -2.947 1.00 40.72 O ATOM 267 C1' G E 30 3.259 15.211 -0.712 1.00 34.66 C ATOM 268 N9 G E 30 4.368 15.653 0.131 1.00 30.58 N ATOM 269 C8 G E 30 5.226 14.877 0.876 1.00 29.56 C ATOM 270 N7 G E 30 6.094 15.579 1.550 1.00 28.33 N ATOM 271 C5 G E 30 5.793 16.894 1.226 1.00 27.48 C ATOM 272 C6 G E 30 6.389 18.103 1.652 1.00 25.45 C ATOM 273 O6 G E 30 7.321 18.262 2.436 1.00 25.09 O ATOM 274 N1 G E 30 5.786 19.205 1.063 1.00 24.68 N ATOM 275 C2 G E 30 4.744 19.153 0.174 1.00 26.05 C ATOM 276 N2 G E 30 4.321 20.326 -0.318 1.00 25.99 N ATOM 277 N3 G E 30 4.166 18.036 -0.215 1.00 29.04 N ATOM 278 C4 G E 30 4.739 16.953 0.343 1.00 28.78 C TER 279 G E 30 ATOM 280 O5' G F 39 13.261 25.562 5.105 1.00 31.98 O ATOM 281 C5' G F 39 13.487 26.828 4.480 1.00 26.26 C ATOM 282 C4' G F 39 12.741 26.977 3.170 1.00 23.86 C ATOM 283 O4' G F 39 13.228 25.984 2.230 1.00 22.72 O ATOM 284 C3' G F 39 11.232 26.766 3.222 1.00 24.56 C ATOM 285 O3' G F 39 10.556 27.979 3.564 1.00 25.59 O ATOM 286 C2' G F 39 10.920 26.333 1.793 1.00 21.48 C ATOM 287 O2' G F 39 10.834 27.415 0.887 1.00 21.54 O ATOM 288 C1' G F 39 12.145 25.476 1.465 1.00 25.28 C ATOM 289 N9 G F 39 11.966 24.065 1.806 1.00 20.71 N ATOM 290 C8 G F 39 12.555 23.381 2.844 1.00 21.44 C ATOM 291 N7 G F 39 12.226 22.118 2.876 1.00 23.03 N ATOM 292 C5 G F 39 11.369 21.956 1.798 1.00 21.65 C ATOM 293 C6 G F 39 10.711 20.799 1.318 1.00 20.86 C ATOM 294 O6 G F 39 10.767 19.643 1.762 1.00 22.36 O ATOM 295 N1 G F 39 9.926 21.083 0.201 1.00 19.44 N ATOM 296 C2 G F 39 9.794 22.326 -0.377 1.00 21.08 C ATOM 297 N2 G F 39 8.977 22.419 -1.444 1.00 20.40 N ATOM 298 N3 G F 39 10.415 23.405 0.057 1.00 21.50 N ATOM 299 C4 G F 39 11.182 23.151 1.136 1.00 22.53 C ATOM 300 P C F 40 9.105 27.927 4.266 1.00 29.51 P ATOM 301 OP1 C F 40 8.727 29.323 4.595 1.00 33.98 O ATOM 302 OP2 C F 40 9.111 26.899 5.334 1.00 26.14 O ATOM 303 O5' C F 40 8.127 27.365 3.151 1.00 29.72 O ATOM 304 C5' C F 40 7.712 28.152 2.052 1.00 30.49 C ATOM 305 C4' C F 40 6.796 27.340 1.182 1.00 30.69 C ATOM 306 O4' C F 40 7.542 26.203 0.671 1.00 32.25 O ATOM 307 C3' C F 40 5.626 26.683 1.901 1.00 29.26 C ATOM 308 O3' C F 40 4.551 27.593 2.113 1.00 33.47 O ATOM 309 C2' C F 40 5.275 25.566 0.929 1.00 29.56 C ATOM 310 O2' C F 40 4.586 25.996 -0.229 1.00 30.53 O ATOM 311 C1' C F 40 6.671 25.094 0.528 1.00 27.01 C ATOM 312 N1 C F 40 7.128 23.992 1.395 1.00 26.11 N ATOM 313 C2 C F 40 6.608 22.722 1.154 1.00 24.87 C ATOM 314 O2 C F 40 5.774 22.586 0.250 1.00 26.53 O ATOM 315 N3 C F 40 7.015 21.681 1.913 1.00 23.73 N ATOM 316 C4 C F 40 7.897 21.877 2.894 1.00 23.14 C ATOM 317 N4 C F 40 8.280 20.813 3.611 1.00 23.37 N ATOM 318 C5 C F 40 8.431 23.168 3.180 1.00 25.86 C ATOM 319 C6 C F 40 8.025 24.189 2.410 1.00 25.69 C ATOM 320 P U F 41 3.523 27.357 3.335 1.00 33.17 P ATOM 321 OP1 U F 41 2.589 28.511 3.280 1.00 36.04 O ATOM 322 OP2 U F 41 4.272 27.087 4.591 1.00 32.85 O ATOM 323 O5' U F 41 2.737 26.027 2.930 1.00 32.31 O ATOM 324 C5' U F 41 1.837 26.021 1.825 1.00 30.41 C ATOM 325 C4' U F 41 1.242 24.644 1.610 1.00 31.54 C ATOM 326 O4' U F 41 2.278 23.693 1.233 1.00 28.38 O ATOM 327 C3' U F 41 0.567 23.980 2.800 1.00 28.97 C ATOM 328 O3' U F 41 -0.727 24.510 3.063 1.00 31.84 O ATOM 329 C2' U F 41 0.557 22.523 2.363 1.00 27.97 C ATOM 330 O2' U F 41 -0.418 22.220 1.380 1.00 26.75 O ATOM 331 C1' U F 41 1.952 22.407 1.743 1.00 27.97 C ATOM 332 N1 U F 41 2.967 22.031 2.743 1.00 23.92 N ATOM 333 C2 U F 41 3.125 20.686 3.027 1.00 24.73 C ATOM 334 O2 U F 41 2.458 19.808 2.504 1.00 23.64 O ATOM 335 N3 U F 41 4.094 20.404 3.953 1.00 25.05 N ATOM 336 C4 U F 41 4.898 21.302 4.619 1.00 26.04 C ATOM 337 O4 U F 41 5.751 20.882 5.405 1.00 23.71 O ATOM 338 C5 U F 41 4.667 22.671 4.285 1.00 24.95 C ATOM 339 C6 U F 41 3.738 22.982 3.380 1.00 23.66 C ATOM 340 P G F 42 -1.245 24.616 4.584 1.00 32.72 P ATOM 341 OP1 G F 42 -2.515 25.393 4.579 1.00 37.79 O ATOM 342 OP2 G F 42 -0.124 25.068 5.443 1.00 32.52 O ATOM 343 O5' G F 42 -1.575 23.106 4.959 1.00 26.90 O ATOM 344 C5' G F 42 -2.487 22.357 4.162 1.00 26.68 C ATOM 345 C4' G F 42 -2.467 20.896 4.541 1.00 26.61 C ATOM 346 O4' G F 42 -1.216 20.280 4.129 1.00 23.53 O ATOM 347 C3' G F 42 -2.573 20.535 6.014 1.00 27.91 C ATOM 348 O3' G F 42 -3.914 20.658 6.490 1.00 29.11 O ATOM 349 C2' G F 42 -2.089 19.091 5.979 1.00 24.12 C ATOM 350 O2' G F 42 -3.056 18.225 5.407 1.00 26.85 O ATOM 351 C1' G F 42 -0.910 19.206 5.007 1.00 25.57 C ATOM 352 N9 G F 42 0.368 19.469 5.674 1.00 22.46 N ATOM 353 C8 G F 42 0.979 20.681 5.914 1.00 24.88 C ATOM 354 N7 G F 42 2.110 20.565 6.570 1.00 24.03 N ATOM 355 C5 G F 42 2.254 19.197 6.764 1.00 21.69 C ATOM 356 C6 G F 42 3.275 18.458 7.426 1.00 21.93 C ATOM 357 O6 G F 42 4.277 18.881 8.005 1.00 19.34 O ATOM 358 N1 G F 42 3.022 17.089 7.386 1.00 21.54 N ATOM 359 C2 G F 42 1.918 16.506 6.813 1.00 23.29 C ATOM 360 N2 G F 42 1.821 15.171 6.907 1.00 23.92 N ATOM 361 N3 G F 42 0.965 17.180 6.201 1.00 22.94 N ATOM 362 C4 G F 42 1.194 18.508 6.213 1.00 22.98 C ATOM 363 P G F 43 -4.206 20.622 8.072 1.00 31.69 P ATOM 364 OP1 G F 43 -5.678 20.527 8.258 1.00 34.11 O ATOM 365 OP2 G F 43 -3.459 21.722 8.728 1.00 27.28 O ATOM 366 O5' G F 43 -3.572 19.226 8.479 1.00 29.01 O ATOM 367 C5' G F 43 -3.240 18.907 9.809 1.00 32.23 C ATOM 368 C4' G F 43 -2.759 17.486 9.851 1.00 29.68 C ATOM 369 O4' G F 43 -1.634 17.338 8.940 1.00 28.48 O ATOM 370 C3' G F 43 -2.249 17.009 11.194 1.00 29.00 C ATOM 371 O3' G F 43 -3.333 16.533 11.980 1.00 31.78 O ATOM 372 C2' G F 43 -1.295 15.901 10.781 1.00 26.18 C ATOM 373 O2' G F 43 -1.978 14.715 10.424 1.00 28.04 O ATOM 374 C1' G F 43 -0.640 16.533 9.550 1.00 25.73 C ATOM 375 N9 G F 43 0.478 17.396 9.928 1.00 21.58 N ATOM 376 C8 G F 43 0.575 18.764 9.806 1.00 21.61 C ATOM 377 N7 G F 43 1.704 19.240 10.260 1.00 19.94 N ATOM 378 C5 G F 43 2.392 18.119 10.704 1.00 21.50 C ATOM 379 C6 G F 43 3.673 17.998 11.303 1.00 21.57 C ATOM 380 O6 G F 43 4.498 18.889 11.560 1.00 20.30 O ATOM 381 N1 G F 43 3.966 16.674 11.609 1.00 21.29 N ATOM 382 C2 G F 43 3.138 15.604 11.371 1.00 22.22 C ATOM 383 N2 G F 43 3.584 14.401 11.756 1.00 19.04 N ATOM 384 N3 G F 43 1.955 15.703 10.804 1.00 21.41 N ATOM 385 C4 G F 43 1.647 16.977 10.501 1.00 21.58 C ATOM 386 P G F 44 -3.319 16.771 13.566 1.00 33.75 P ATOM 387 OP1 G F 44 -4.561 16.186 14.131 1.00 36.91 O ATOM 388 OP2 G F 44 -2.999 18.196 13.821 1.00 34.27 O ATOM 389 O5' G F 44 -2.093 15.890 14.052 1.00 28.33 O ATOM 390 C5' G F 44 -2.101 14.485 13.868 1.00 27.96 C ATOM 391 C4' G F 44 -0.796 13.900 14.321 1.00 27.98 C ATOM 392 O4' G F 44 0.275 14.464 13.520 1.00 25.52 O ATOM 393 C3' G F 44 -0.381 14.253 15.739 1.00 27.34 C ATOM 394 O3' G F 44 -1.033 13.454 16.715 1.00 28.19 O ATOM 395 C2' G F 44 1.112 13.987 15.688 1.00 23.57 C ATOM 396 O2' G F 44 1.413 12.609 15.758 1.00 27.90 O ATOM 397 C1' G F 44 1.455 14.543 14.304 1.00 23.18 C ATOM 398 N9 G F 44 1.901 15.934 14.377 1.00 22.25 N ATOM 399 C8 G F 44 1.245 17.071 13.966 1.00 22.82 C ATOM 400 N7 G F 44 1.928 18.165 14.187 1.00 22.89 N ATOM 401 C5 G F 44 3.105 17.720 14.780 1.00 22.41 C ATOM 402 C6 G F 44 4.238 18.441 15.244 1.00 25.14 C ATOM 403 O6 G F 44 4.440 19.660 15.225 1.00 27.12 O ATOM 404 N1 G F 44 5.203 17.592 15.773 1.00 24.29 N ATOM 405 C2 G F 44 5.103 16.229 15.848 1.00 25.93 C ATOM 406 N2 G F 44 6.154 15.584 16.383 1.00 24.98 N ATOM 407 N3 G F 44 4.055 15.545 15.425 1.00 23.55 N ATOM 408 C4 G F 44 3.102 16.349 14.903 1.00 23.61 C ATOM 409 P A F 45 -1.483 14.118 18.112 1.00 29.61 P ATOM 410 OP1 A F 45 -2.181 13.070 18.902 1.00 34.29 O ATOM 411 OP2 A F 45 -2.171 15.403 17.828 1.00 28.98 O ATOM 412 O5' A F 45 -0.111 14.453 18.845 1.00 27.33 O ATOM 413 C5' A F 45 0.777 13.406 19.214 1.00 31.83 C ATOM 414 C4' A F 45 2.071 13.977 19.729 1.00 27.49 C ATOM 415 O4' A F 45 2.743 14.683 18.657 1.00 28.44 O ATOM 416 C3' A F 45 1.935 15.019 20.823 1.00 29.43 C ATOM 417 O3' A F 45 1.752 14.402 22.089 1.00 35.79 O ATOM 418 C2' A F 45 3.261 15.755 20.700 1.00 29.54 C ATOM 419 O2' A F 45 4.346 15.023 21.239 1.00 31.40 O ATOM 420 C1' A F 45 3.408 15.825 19.178 1.00 25.39 C ATOM 421 N9 A F 45 2.777 17.014 18.603 1.00 24.83 N ATOM 422 C8 A F 45 1.564 17.085 17.960 1.00 23.74 C ATOM 423 N7 A F 45 1.238 18.296 17.577 1.00 21.87 N ATOM 424 C5 A F 45 2.310 19.076 17.990 1.00 21.77 C ATOM 425 C6 A F 45 2.567 20.457 17.898 1.00 22.88 C ATOM 426 N6 A F 45 1.734 21.335 17.339 1.00 23.43 N ATOM 427 N1 A F 45 3.728 20.914 18.416 1.00 23.82 N ATOM 428 C2 A F 45 4.562 20.039 18.983 1.00 22.78 C ATOM 429 N3 A F 45 4.434 18.724 19.134 1.00 26.83 N ATOM 430 C4 A F 45 3.270 18.299 18.612 1.00 24.84 C ATOM 431 P G F 46 0.687 15.012 23.124 1.00 38.32 P ATOM 432 OP1 G F 46 0.711 14.132 24.321 1.00 37.16 O ATOM 433 OP2 G F 46 -0.596 15.275 22.425 1.00 32.87 O ATOM 434 O5' G F 46 1.288 16.434 23.499 1.00 32.51 O ATOM 435 C5' G F 46 2.515 16.542 24.201 1.00 30.02 C ATOM 436 C4' G F 46 2.940 17.983 24.268 1.00 24.12 C ATOM 437 O4' G F 46 3.213 18.485 22.929 1.00 26.55 O ATOM 438 C3' G F 46 1.886 18.943 24.794 1.00 25.79 C ATOM 439 O3' G F 46 1.857 18.943 26.210 1.00 24.04 O ATOM 440 C2' G F 46 2.400 20.266 24.259 1.00 22.49 C ATOM 441 O2' G F 46 3.530 20.673 24.995 1.00 28.47 O ATOM 442 C1' G F 46 2.838 19.860 22.851 1.00 23.52 C ATOM 443 N9 G F 46 1.767 19.997 21.864 1.00 24.19 N ATOM 444 C8 G F 46 1.076 18.974 21.262 1.00 23.76 C ATOM 445 N7 G F 46 0.193 19.388 20.395 1.00 23.72 N ATOM 446 C5 G F 46 0.300 20.771 20.422 1.00 23.78 C ATOM 447 C6 G F 46 -0.409 21.760 19.685 1.00 23.46 C ATOM 448 O6 G F 46 -1.258 21.600 18.803 1.00 23.35 O ATOM 449 N1 G F 46 -0.033 23.045 20.059 1.00 24.37 N ATOM 450 C2 G F 46 0.912 23.343 21.007 1.00 24.14 C ATOM 451 N2 G F 46 1.090 24.652 21.260 1.00 23.59 N ATOM 452 N3 G F 46 1.618 22.429 21.669 1.00 23.40 N ATOM 453 C4 G F 46 1.254 21.172 21.335 1.00 23.63 C ATOM 454 P U F 47 0.504 19.343 26.983 1.00 28.07 P ATOM 455 OP1 U F 47 0.737 19.092 28.424 1.00 26.18 O ATOM 456 OP2 U F 47 -0.660 18.709 26.304 1.00 24.88 O ATOM 457 O5' U F 47 0.359 20.906 26.740 1.00 22.10 O ATOM 458 C5' U F 47 1.254 21.837 27.339 1.00 23.23 C ATOM 459 C4' U F 47 0.811 23.248 27.031 1.00 21.24 C ATOM 460 O4' U F 47 0.920 23.497 25.604 1.00 24.61 O ATOM 461 C3' U F 47 -0.645 23.566 27.344 1.00 24.79 C ATOM 462 O3' U F 47 -0.816 23.902 28.712 1.00 21.94 O ATOM 463 C2' U F 47 -0.901 24.767 26.448 1.00 24.81 C ATOM 464 O2' U F 47 -0.347 25.958 26.970 1.00 25.06 O ATOM 465 C1' U F 47 -0.138 24.360 25.190 1.00 24.60 C ATOM 466 N1 U F 47 -0.988 23.658 24.210 1.00 21.68 N ATOM 467 C2 U F 47 -1.862 24.428 23.443 1.00 22.71 C ATOM 468 O2 U F 47 -2.003 25.632 23.602 1.00 23.74 O ATOM 469 N3 U F 47 -2.577 23.731 22.501 1.00 21.15 N ATOM 470 C4 U F 47 -2.545 22.370 22.273 1.00 22.35 C ATOM 471 O4 U F 47 -3.251 21.888 21.386 1.00 21.50 O ATOM 472 C5 U F 47 -1.657 21.641 23.128 1.00 21.34 C ATOM 473 C6 U F 47 -0.924 22.293 24.039 1.00 21.66 C ATOM 474 P C F 48 -2.175 23.501 29.473 1.00 26.75 P ATOM 475 OP1 C F 48 -1.898 23.695 30.922 1.00 28.61 O ATOM 476 OP2 C F 48 -2.665 22.183 28.992 1.00 25.84 O ATOM 477 O5' C F 48 -3.238 24.578 28.977 1.00 24.92 O ATOM 478 C5' C F 48 -3.128 25.952 29.344 1.00 21.69 C ATOM 479 C4' C F 48 -4.203 26.761 28.652 1.00 25.93 C ATOM 480 O4' C F 48 -4.003 26.710 27.213 1.00 26.89 O ATOM 481 C3' C F 48 -5.619 26.238 28.829 1.00 26.11 C ATOM 482 O3' C F 48 -6.174 26.652 30.066 1.00 30.47 O ATOM 483 C2' C F 48 -6.337 26.854 27.636 1.00 24.70 C ATOM 484 O2' C F 48 -6.684 28.213 27.832 1.00 27.31 O ATOM 485 C1' C F 48 -5.264 26.734 26.551 1.00 24.06 C ATOM 486 N1 C F 48 -5.391 25.520 25.710 1.00 23.22 N ATOM 487 C2 C F 48 -6.222 25.565 24.573 1.00 22.94 C ATOM 488 O2 C F 48 -6.902 26.585 24.356 1.00 26.11 O ATOM 489 N3 C F 48 -6.272 24.494 23.751 1.00 21.92 N ATOM 490 C4 C F 48 -5.561 23.398 24.033 1.00 23.78 C ATOM 491 N4 C F 48 -5.611 22.376 23.169 1.00 22.01 N ATOM 492 C5 C F 48 -4.756 23.302 25.209 1.00 21.95 C ATOM 493 C6 C F 48 -4.700 24.376 26.010 1.00 22.38 C ATOM 494 P C F 49 -7.222 25.702 30.827 1.00 31.77 P ATOM 495 OP1 C F 49 -7.543 26.368 32.114 1.00 33.82 O ATOM 496 OP2 C F 49 -6.696 24.317 30.831 1.00 29.00 O ATOM 497 O5' C F 49 -8.508 25.716 29.892 1.00 29.31 O ATOM 498 C5' C F 49 -9.311 26.883 29.761 1.00 30.86 C ATOM 499 C4' C F 49 -10.408 26.647 28.749 1.00 26.98 C ATOM 500 O4' C F 49 -9.816 26.452 27.441 1.00 27.03 O ATOM 501 C3' C F 49 -11.238 25.388 28.950 1.00 30.14 C ATOM 502 O3' C F 49 -12.262 25.422 29.960 1.00 28.00 O ATOM 503 C2' C F 49 -11.810 25.147 27.564 1.00 28.26 C ATOM 504 O2' C F 49 -13.007 25.870 27.336 1.00 32.87 O ATOM 505 C1' C F 49 -10.655 25.607 26.663 1.00 27.90 C ATOM 506 N1 C F 49 -9.862 24.463 26.160 1.00 26.24 N ATOM 507 C2 C F 49 -10.134 23.968 24.875 1.00 26.51 C ATOM 508 O2 C F 49 -10.969 24.552 24.170 1.00 25.16 O ATOM 509 N3 C F 49 -9.480 22.866 24.434 1.00 24.89 N ATOM 510 C4 C F 49 -8.586 22.263 25.218 1.00 25.34 C ATOM 511 N4 C F 49 -8.017 21.138 24.768 1.00 25.75 N ATOM 512 C5 C F 49 -8.248 22.774 26.510 1.00 26.60 C ATOM 513 C6 C F 49 -8.904 23.869 26.936 1.00 26.10 C TER 514 C F 49 HETATM 515 MG MG E 416 -5.520 18.530 19.881 1.00 56.11 MG HETATM 516 MG MG E 417 10.603 16.386 5.303 1.00 30.24 MG HETATM 517 SR SR E 421 5.667 22.984 18.485 1.00 53.65 SR HETATM 518 SR SR F 425 4.588 23.409 9.726 1.00 84.62 SR HETATM 519 O HOH E 82 5.328 23.174 16.085 1.00 41.96 O HETATM 520 O HOH E 83 7.800 21.703 20.268 1.00 34.19 O HETATM 521 O HOH E 85 9.234 17.212 9.435 1.00 23.66 O HETATM 522 O HOH E 87 -11.441 28.047 20.959 1.00 43.25 O HETATM 523 O HOH E 90 -7.663 17.191 19.370 1.00 33.56 O HETATM 524 O HOH E 93 -6.644 20.385 19.408 1.00 26.73 O HETATM 525 O HOH E 94 -7.641 18.571 16.209 1.00 50.85 O HETATM 526 O HOH E 95 6.162 30.945 18.246 1.00 49.37 O HETATM 527 O HOH E 97 12.489 27.007 13.898 1.00 39.02 O HETATM 528 O HOH E 99 -5.540 21.658 17.164 1.00 44.94 O HETATM 529 O HOH E 100 13.489 18.008 10.348 1.00 46.15 O HETATM 530 O HOH E 101 -16.845 15.772 19.504 1.00 41.21 O HETATM 531 O HOH E 102 -3.534 29.769 24.691 1.00 49.94 O HETATM 532 O HOH E 110 -15.783 17.023 17.126 1.00 47.83 O HETATM 533 O HOH E 111 -6.477 23.316 15.486 1.00 51.34 O HETATM 534 O HOH E 112 -4.748 16.589 20.466 1.00 34.38 O HETATM 535 O HOH E 113 11.117 27.881 16.520 1.00 34.17 O HETATM 536 O HOH E 117 -6.535 18.331 22.118 1.00 32.63 O HETATM 537 O HOH E 122 14.877 14.110 16.661 1.00 39.49 O HETATM 538 O HOH E 164 -8.239 20.872 16.840 1.00 52.68 O HETATM 539 O HOH E 265 14.381 26.144 16.940 1.00 23.92 O HETATM 540 O HOH E 285 9.031 17.812 6.687 1.00 31.17 O HETATM 541 O HOH E 287 8.957 14.905 6.439 1.00 29.07 O HETATM 542 O HOH E 288 1.315 10.825 8.169 1.00 38.11 O HETATM 543 O HOH E 290 4.948 10.675 13.798 1.00 33.09 O HETATM 544 O HOH E 291 10.008 12.632 6.965 1.00 34.31 O HETATM 545 O HOH E 292 -7.305 15.988 23.349 1.00 37.38 O HETATM 546 O HOH E 297 2.138 17.134 -4.930 1.00 29.25 O HETATM 547 O HOH E 302 9.097 16.285 3.835 1.00 35.99 O HETATM 548 O HOH E 305 -5.309 18.059 17.707 1.00 48.41 O HETATM 549 O HOH E 306 12.673 22.725 11.919 1.00 43.26 O HETATM 550 O HOH E 307 14.640 10.562 11.724 1.00 53.51 O HETATM 551 O HOH E 313 11.747 8.720 13.500 1.00 49.26 O HETATM 552 O HOH E 315 -14.559 22.506 19.565 1.00 29.41 O HETATM 553 O HOH E 319 -0.501 28.000 23.006 1.00 43.37 O HETATM 554 O HOH E 321 0.988 14.911 2.429 1.00 33.55 O HETATM 555 O HOH E 323 14.574 10.587 8.477 1.00 60.45 O HETATM 556 O HOH E 327 16.363 20.138 15.752 1.00 29.83 O HETATM 557 O HOH E 329 6.830 21.179 16.482 1.00 46.91 O HETATM 558 O HOH E 333 -8.500 29.735 11.129 1.00 54.55 O HETATM 559 O HOH E 340 7.272 26.697 15.921 1.00 35.64 O HETATM 560 O HOH E 345 -6.548 13.312 21.664 1.00 63.96 O HETATM 561 O HOH E 351 8.075 25.839 13.054 1.00 56.08 O HETATM 562 O HOH E 355 10.706 14.491 19.438 1.00 49.02 O HETATM 563 O HOH E 366 10.019 19.650 10.729 1.00 31.89 O HETATM 564 O HOH E 367 11.602 16.288 7.345 1.00 45.20 O HETATM 565 O HOH E 370 11.484 14.843 4.113 1.00 45.32 O HETATM 566 O HOH E 374 -5.586 29.523 22.379 1.00 36.80 O HETATM 567 O HOH E 376 -3.892 23.886 14.490 1.00 40.13 O HETATM 568 O HOH E 378 12.288 30.150 17.451 1.00 43.85 O HETATM 569 O HOH E 389 10.917 14.959 9.982 1.00 36.44 O HETATM 570 O HOH E 391 -8.568 19.700 11.707 1.00 53.11 O HETATM 571 O HOH E 394 18.656 20.490 14.492 1.00 42.85 O HETATM 572 O HOH F 86 -12.144 26.809 23.605 1.00 32.55 O HETATM 573 O HOH F 88 -5.924 19.860 26.666 1.00 36.56 O HETATM 574 O HOH F 89 7.633 18.098 16.923 1.00 33.59 O HETATM 575 O HOH F 91 -4.664 19.411 24.044 1.00 27.84 O HETATM 576 O HOH F 92 0.233 23.810 8.296 1.00 36.07 O HETATM 577 O HOH F 98 -0.924 28.345 25.904 1.00 41.29 O HETATM 578 O HOH F 103 7.349 17.651 20.052 1.00 37.14 O HETATM 579 O HOH F 104 4.131 23.031 24.509 1.00 34.25 O HETATM 580 O HOH F 105 -4.480 25.185 6.420 1.00 39.43 O HETATM 581 O HOH F 106 12.599 20.417 5.274 1.00 30.41 O HETATM 582 O HOH F 107 -4.774 14.060 10.318 1.00 43.63 O HETATM 583 O HOH F 108 4.126 29.412 6.675 1.00 60.24 O HETATM 584 O HOH F 109 -2.983 20.202 26.975 1.00 37.12 O HETATM 585 O HOH F 114 4.901 22.924 20.858 1.00 50.72 O HETATM 586 O HOH F 115 3.268 19.955 29.437 1.00 37.62 O HETATM 587 O HOH F 116 -2.043 17.966 23.882 1.00 33.48 O HETATM 588 O HOH F 119 -5.956 30.147 29.692 1.00 33.83 O HETATM 589 O HOH F 120 4.359 22.582 29.208 1.00 39.52 O HETATM 590 O HOH F 293 11.210 18.149 4.409 1.00 34.73 O HETATM 591 O HOH F 294 -3.754 19.501 20.448 1.00 34.41 O HETATM 592 O HOH F 295 9.621 20.480 6.414 1.00 34.65 O HETATM 593 O HOH F 296 5.067 24.060 26.987 1.00 52.29 O HETATM 594 O HOH F 308 3.521 25.219 22.841 1.00 46.63 O HETATM 595 O HOH F 314 -5.586 21.740 29.002 1.00 41.28 O HETATM 596 O HOH F 330 5.629 21.391 9.260 1.00 44.41 O HETATM 597 O HOH F 331 3.583 22.894 7.828 1.00 29.59 O HETATM 598 O HOH F 334 0.561 13.007 9.920 1.00 35.84 O HETATM 599 O HOH F 341 -8.046 28.579 25.718 1.00 32.97 O HETATM 600 O HOH F 346 1.919 16.099 28.526 1.00 31.96 O HETATM 601 O HOH F 350 2.022 11.421 12.132 1.00 40.59 O HETATM 602 O HOH F 356 -6.472 22.580 33.042 1.00 49.40 O HETATM 603 O HOH F 375 -1.427 19.048 17.990 1.00 33.05 O HETATM 604 O HOH F 377 -1.896 17.242 19.711 1.00 31.19 O HETATM 605 O HOH F 379 2.110 27.115 23.591 1.00 48.37 O HETATM 606 O HOH F 386 -2.344 11.726 23.253 1.00 49.69 O HETATM 607 O HOH F 387 2.680 25.341 6.180 1.00 32.67 O HETATM 608 O HOH F 388 -1.143 21.623 9.433 1.00 41.23 O HETATM 609 O HOH F 390 -3.418 20.317 17.315 1.00 36.98 O HETATM 610 O HOH F 392 2.940 21.967 10.755 1.00 48.04 O HETATM 611 O HOH F 396 6.439 25.578 5.640 1.00 30.01 O HETATM 612 O HOH F 397 5.592 27.466 9.200 1.00 58.49 O ENDMDL MASTER 24 0 0 0 0 0 28 6 610 2 0 8 END