HEADER ---- XX-XXX-XX xxxx COMPND --- REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.5.0109 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.36 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 31.82 REMARK 3 DATA CUTOFF (SIGMA(F)) : NONE REMARK 3 COMPLETENESS FOR RANGE (%) : 98.18 REMARK 3 NUMBER OF REFLECTIONS : 10229 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING + TEST SET) : 0.14888 REMARK 3 R VALUE (WORKING SET) : 0.14575 REMARK 3 FREE R VALUE : 0.18587 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 7.7 REMARK 3 FREE R VALUE TEST SET COUNT : 857 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH : 1.356 REMARK 3 BIN RESOLUTION RANGE LOW : 1.391 REMARK 3 REFLECTION IN BIN (WORKING SET) : 601 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 81.51 REMARK 3 BIN R VALUE (WORKING SET) : 0.280 REMARK 3 BIN FREE R VALUE SET COUNT : 56 REMARK 3 BIN FREE R VALUE : 0.355 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 ALL ATOMS : 494 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 13.449 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.03 REMARK 3 B22 (A**2) : 0.09 REMARK 3 B33 (A**2) : -0.12 REMARK 3 B12 (A**2) : 0.00 REMARK 3 B13 (A**2) : 0.00 REMARK 3 B23 (A**2) : 0.00 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.060 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.057 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.032 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 1.736 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.972 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.965 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 461 ; 0.022 ; 0.021 REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 698 ; 2.398 ; 3.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 80 ; 0.183 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 208 ; 0.019 ; 0.020 REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 461 ; 3.059 ; 3.000 REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 698 ; 3.724 ; 4.500 REMARK 3 REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 RIGID-BOND RESTRAINTS (A**2): 461 ; 2.424 ; 3.000 REMARK 3 REMARK 3 NCS RESTRAINTS STATISTICS REMARK 3 NUMBER OF NCS GROUPS : NULL REMARK 3 REMARK 3 TWIN DETAILS REMARK 3 NUMBER OF TWIN DOMAINS : NULL REMARK 3 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : MASK REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.40 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REMARK 3 HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS REMARK 3 U VALUES : REFINED INDIVIDUALLY REMARK 3 CRYST1 24.465 44.112 45.954 90.00 90.00 90.00 P 21 21 21 SCALE1 0.040875 0.000000 0.000000 0.00000 SCALE2 0.000000 0.022670 0.000000 0.00000 SCALE3 0.000000 0.000000 0.021761 0.00000 ATOM 1 O5' G A 101 4.549 -5.501 -16.693 1.00 23.37 O ANISOU 1 O5' G A 101 3460 2523 2893 -435 183 778 O ATOM 2 C5' G A 101 4.236 -6.569 -17.575 1.00 20.73 C ANISOU 2 C5' G A 101 3502 2198 2175 -321 109 466 C ATOM 3 C4' G A 101 3.894 -7.828 -16.819 1.00 15.03 C ANISOU 3 C4' G A 101 1807 2154 1749 -95 73 396 C ATOM 4 O4' G A 101 4.957 -8.174 -15.909 1.00 14.83 O ANISOU 4 O4' G A 101 1767 2339 1528 52 286 350 O ATOM 5 C1' G A 101 4.398 -8.691 -14.699 1.00 15.09 C ANISOU 5 C1' G A 101 2078 2249 1403 -243 100 129 C ATOM 6 N9 G A 101 4.827 -7.762 -13.613 1.00 14.57 N ANISOU 6 N9 G A 101 2011 2019 1506 -400 50 65 N ATOM 7 C8 G A 101 5.532 -6.608 -13.721 1.00 17.77 C ANISOU 7 C8 G A 101 2415 2228 2107 -545 -148 91 C ATOM 8 N7 G A 101 5.757 -6.033 -12.563 1.00 17.83 N ANISOU 8 N7 G A 101 2801 2224 1747 -420 15 47 N ATOM 9 C5 G A 101 5.155 -6.903 -11.628 1.00 14.31 C ANISOU 9 C5 G A 101 1865 2104 1466 -174 256 -130 C ATOM 10 C4 G A 101 4.594 -7.956 -12.258 1.00 13.97 C ANISOU 10 C4 G A 101 1852 2055 1400 -277 -135 157 C ATOM 11 N3 G A 101 3.918 -9.012 -11.727 1.00 11.30 N ANISOU 11 N3 G A 101 1421 1578 1295 -50 279 101 N ATOM 12 C2 G A 101 3.837 -8.941 -10.401 1.00 11.14 C ANISOU 12 C2 G A 101 1235 1658 1337 -9 -88 80 C ATOM 13 N2 G A 101 3.177 -9.903 -9.718 1.00 11.91 N ANISOU 13 N2 G A 101 1558 1567 1399 -71 5 211 N ATOM 14 N1 G A 101 4.350 -7.930 -9.666 1.00 12.12 N ANISOU 14 N1 G A 101 1673 1432 1498 -6 123 39 N ATOM 15 C6 G A 101 5.052 -6.825 -10.197 1.00 13.54 C ANISOU 15 C6 G A 101 1771 1871 1502 -262 -149 221 C ATOM 16 O6 G A 101 5.528 -5.951 -9.435 1.00 14.48 O ANISOU 16 O6 G A 101 2379 1756 1365 10 -118 223 O ATOM 17 C2' G A 101 2.878 -8.763 -14.865 1.00 13.50 C ANISOU 17 C2' G A 101 1579 2026 1523 -100 184 143 C ATOM 18 C3' G A 101 2.676 -7.672 -15.872 1.00 14.44 C ANISOU 18 C3' G A 101 1589 1991 1904 -63 150 277 C ATOM 19 O3' G A 101 1.486 -7.812 -16.634 1.00 14.35 O ANISOU 19 O3' G A 101 1848 2288 1314 -19 46 244 O ATOM 20 P C A 102 0.162 -7.070 -16.264 1.00 14.72 P ANISOU 20 P C A 102 1995 1995 1600 -31 -190 259 P ATOM 21 O1P C A 102 -0.814 -7.415 -17.328 1.00 17.21 O ANISOU 21 O1P C A 102 2508 2635 1395 -34 -512 234 O ATOM 22 O2P C A 102 0.380 -5.641 -15.880 1.00 15.93 O ANISOU 22 O2P C A 102 2478 2127 1447 192 13 226 O ATOM 23 O5' C A 102 -0.291 -7.773 -14.881 1.00 13.17 O ANISOU 23 O5' C A 102 1901 1821 1279 -390 -56 132 O ATOM 24 C5' C A 102 -0.749 -9.118 -14.863 1.00 12.20 C ANISOU 24 C5' C A 102 1616 1552 1466 -336 185 85 C ATOM 25 C4' C A 102 -0.937 -9.504 -13.412 1.00 11.72 C ANISOU 25 C4' C A 102 1441 1715 1294 -125 128 38 C ATOM 26 O4' C A 102 0.289 -9.350 -12.663 1.00 11.51 O ANISOU 26 O4' C A 102 1373 1675 1323 -62 -39 -221 O ATOM 27 C1' C A 102 0.016 -8.921 -11.332 1.00 9.43 C ANISOU 27 C1' C A 102 1123 1284 1174 -130 265 -228 C ATOM 28 N1 C A 102 0.683 -7.617 -11.088 1.00 10.69 N ANISOU 28 N1 C A 102 1314 1469 1278 -49 192 91 N ATOM 29 C2 C A 102 0.929 -7.253 -9.771 1.00 11.16 C ANISOU 29 C2 C A 102 1347 1386 1508 -186 128 11 C ATOM 30 O2 C A 102 0.514 -7.981 -8.901 1.00 10.95 O ANISOU 30 O2 C A 102 1602 1351 1205 -66 37 133 O ATOM 31 N3 C A 102 1.564 -6.107 -9.508 1.00 8.69 N ANISOU 31 N3 C A 102 873 1288 1139 88 -3 18 N ATOM 32 C4 C A 102 1.961 -5.304 -10.514 1.00 11.02 C ANISOU 32 C4 C A 102 1472 1566 1148 -322 -110 77 C ATOM 33 N4 C A 102 2.634 -4.170 -10.211 1.00 11.34 N ANISOU 33 N4 C A 102 1537 1344 1429 -33 23 38 N ATOM 34 C5 C A 102 1.726 -5.649 -11.872 1.00 11.46 C ANISOU 34 C5 C A 102 1515 1577 1261 -370 -2 68 C ATOM 35 C6 C A 102 1.125 -6.820 -12.127 1.00 11.12 C ANISOU 35 C6 C A 102 1560 1338 1328 -361 16 118 C ATOM 36 C2' C A 102 -1.484 -8.871 -11.214 1.00 9.58 C ANISOU 36 C2' C A 102 769 1647 1223 51 86 136 C ATOM 37 C3' C A 102 -1.914 -8.650 -12.664 1.00 11.86 C ANISOU 37 C3' C A 102 1488 1819 1196 -74 -151 -97 C ATOM 38 O3' C A 102 -3.209 -9.185 -12.922 1.00 12.28 O ANISOU 38 O3' C A 102 1498 1751 1417 48 -231 -43 O ATOM 39 P G A 103 -4.545 -8.360 -12.590 1.00 13.80 P ANISOU 39 P G A 103 1661 1885 1697 91 -185 -245 P ATOM 40 O1P G A 103 -4.437 -7.025 -13.174 1.00 16.50 O ANISOU 40 O1P G A 103 2243 1975 2050 225 -404 -170 O ATOM 41 O2P G A 103 -5.696 -9.219 -12.966 1.00 16.39 O ANISOU 41 O2P G A 103 1797 2058 2371 -122 -216 -557 O ATOM 42 O5' G A 103 -4.477 -8.235 -11.010 1.00 12.46 O ANISOU 42 O5' G A 103 1489 1663 1580 192 -23 -112 O ATOM 43 C5' G A 103 -5.039 -7.149 -10.309 1.00 11.86 C ANISOU 43 C5' G A 103 1699 1210 1596 338 -15 -309 C ATOM 44 C4' G A 103 -4.618 -7.275 -8.849 1.00 12.18 C ANISOU 44 C4' G A 103 1244 1477 1905 -296 -62 -237 C ATOM 45 O4' G A 103 -3.184 -7.178 -8.762 1.00 11.68 O ANISOU 45 O4' G A 103 1217 1504 1717 -55 -101 -531 O ATOM 46 C1' G A 103 -2.853 -6.446 -7.578 1.00 11.59 C ANISOU 46 C1' G A 103 1546 1462 1396 -189 -19 -257 C ATOM 47 N9 G A 103 -2.058 -5.299 -8.002 1.00 10.66 N ANISOU 47 N9 G A 103 1199 1479 1371 64 -206 -117 N ATOM 48 C8 G A 103 -1.666 -4.973 -9.276 1.00 10.68 C ANISOU 48 C8 G A 103 1155 1476 1426 -45 -162 129 C ATOM 49 N7 G A 103 -0.902 -3.886 -9.329 1.00 10.61 N ANISOU 49 N7 G A 103 1228 1513 1287 -79 -30 142 N ATOM 50 C5 G A 103 -0.761 -3.514 -7.990 1.00 10.34 C ANISOU 50 C5 G A 103 1329 1366 1232 -75 -127 -75 C ATOM 51 C4 G A 103 -1.469 -4.371 -7.176 1.00 10.31 C ANISOU 51 C4 G A 103 1150 1268 1497 -124 -354 23 C ATOM 52 N3 G A 103 -1.611 -4.338 -5.811 1.00 9.60 N ANISOU 52 N3 G A 103 1258 1111 1278 -48 -335 -38 N ATOM 53 C2 G A 103 -0.933 -3.326 -5.275 1.00 8.30 C ANISOU 53 C2 G A 103 971 1067 1116 61 -278 146 C ATOM 54 N2 G A 103 -0.990 -3.124 -3.963 1.00 9.54 N ANISOU 54 N2 G A 103 1141 1323 1158 147 -236 -102 N ATOM 55 N1 G A 103 -0.175 -2.428 -6.026 1.00 8.60 N ANISOU 55 N1 G A 103 1077 1113 1078 -39 -102 120 N ATOM 56 C6 G A 103 -0.048 -2.438 -7.406 1.00 9.57 C ANISOU 56 C6 G A 103 1102 1281 1253 31 -154 59 C ATOM 57 O6 G A 103 0.666 -1.582 -7.974 1.00 11.62 O ANISOU 57 O6 G A 103 1271 1638 1505 142 -78 -38 O ATOM 58 C2' G A 103 -4.100 -6.142 -6.796 1.00 10.83 C ANISOU 58 C2' G A 103 825 1619 1671 -125 -5 -88 C ATOM 59 C3' G A 103 -5.129 -6.165 -7.931 1.00 11.96 C ANISOU 59 C3' G A 103 1078 1602 1862 -38 -190 -106 C ATOM 60 O3' G A 103 -6.411 -6.544 -7.482 1.00 11.88 O ANISOU 60 O3' G A 103 1598 1559 1354 -139 -109 -157 O ATOM 61 P T A 104 -7.434 -5.416 -7.079 1.00 12.16 P ANISOU 61 P T A 104 1236 1709 1675 -35 -76 -156 P ATOM 62 O1P T A 104 -7.421 -4.348 -8.111 1.00 13.93 O ANISOU 62 O1P T A 104 1451 2221 1617 137 -172 -282 O ATOM 63 O2P T A 104 -8.707 -6.066 -6.741 1.00 14.42 O ANISOU 63 O2P T A 104 1474 1839 2166 -466 -140 -181 O ATOM 64 O5' T A 104 -6.820 -4.720 -5.786 1.00 11.13 O ANISOU 64 O5' T A 104 1347 1403 1479 -118 -34 -23 O ATOM 65 C5' T A 104 -7.024 -5.280 -4.480 1.00 12.74 C ANISOU 65 C5' T A 104 1498 1954 1387 -345 -68 159 C ATOM 66 C4' T A 104 -6.650 -4.236 -3.425 1.00 9.13 C ANISOU 66 C4' T A 104 858 1498 1110 -98 9 160 C ATOM 67 O4' T A 104 -5.216 -3.973 -3.504 1.00 10.36 O ANISOU 67 O4' T A 104 1366 1233 1338 -276 -176 102 O ATOM 68 C1' T A 104 -5.007 -2.570 -3.214 1.00 10.91 C ANISOU 68 C1' T A 104 1428 1159 1559 -57 18 0 C ATOM 69 N1 T A 104 -4.328 -1.974 -4.402 1.00 9.28 N ANISOU 69 N1 T A 104 1175 1171 1181 -51 -7 50 N ATOM 70 C2 T A 104 -3.459 -0.914 -4.160 1.00 8.46 C ANISOU 70 C2 T A 104 820 1366 1027 30 -28 5 C ATOM 71 O2 T A 104 -3.273 -0.465 -3.046 1.00 9.37 O ANISOU 71 O2 T A 104 1158 1246 1156 -9 -66 -191 O ATOM 72 N3 T A 104 -2.837 -0.407 -5.297 1.00 8.91 N ANISOU 72 N3 T A 104 1332 1028 1022 -117 91 -14 N ATOM 73 C4 T A 104 -3.030 -0.824 -6.563 1.00 9.33 C ANISOU 73 C4 T A 104 1234 1218 1090 165 -294 188 C ATOM 74 O4 T A 104 -2.385 -0.323 -7.502 1.00 10.23 O ANISOU 74 O4 T A 104 1114 1355 1418 -31 -8 151 O ATOM 75 C5 T A 104 -3.986 -1.918 -6.760 1.00 8.40 C ANISOU 75 C5 T A 104 1054 1130 1005 88 102 144 C ATOM 76 C5M T A 104 -4.257 -2.393 -8.159 1.00 10.08 C ANISOU 76 C5M T A 104 1191 1588 1048 43 14 229 C ATOM 77 C6 T A 104 -4.604 -2.430 -5.673 1.00 9.77 C ANISOU 77 C6 T A 104 1202 1300 1209 180 146 -157 C ATOM 78 C2' T A 104 -6.319 -1.969 -2.858 1.00 10.07 C ANISOU 78 C2' T A 104 918 1630 1277 79 -19 -130 C ATOM 79 C3' T A 104 -7.248 -2.886 -3.635 1.00 10.78 C ANISOU 79 C3' T A 104 1320 1437 1338 -183 150 -111 C ATOM 80 O3' T A 104 -8.606 -2.852 -3.105 1.00 12.08 O ANISOU 80 O3' T A 104 1453 1642 1494 -125 438 -74 O ATOM 81 P A A 105 -9.679 -1.828 -3.682 1.00 12.23 P ANISOU 81 P A A 105 1338 1776 1532 39 192 -78 P ATOM 82 O1P A A 105 -10.984 -2.132 -2.982 1.00 13.91 O ANISOU 82 O1P A A 105 1548 1893 1844 24 352 -157 O ATOM 83 O2P A A 105 -9.684 -1.826 -5.142 1.00 12.80 O ANISOU 83 O2P A A 105 1323 2056 1484 117 118 -98 O ATOM 84 O5' A A 105 -9.140 -0.434 -3.163 1.00 11.30 O ANISOU 84 O5' A A 105 1280 1533 1480 120 283 261 O ATOM 85 C5' A A 105 -9.206 0.718 -3.978 1.00 11.86 C ANISOU 85 C5' A A 105 1346 1584 1575 -357 -57 368 C ATOM 86 C4' A A 105 -8.346 1.789 -3.336 1.00 10.70 C ANISOU 86 C4' A A 105 1020 1331 1714 4 13 417 C ATOM 87 O4' A A 105 -6.972 1.368 -3.444 1.00 11.06 O ANISOU 87 O4' A A 105 1225 1445 1530 153 181 388 O ATOM 88 C1' A A 105 -6.168 2.477 -3.784 1.00 12.00 C ANISOU 88 C1' A A 105 1740 1410 1407 95 334 280 C ATOM 89 N9 A A 105 -5.580 2.267 -5.087 1.00 10.50 N ANISOU 89 N9 A A 105 1299 1406 1282 101 -7 248 N ATOM 90 C8 A A 105 -5.892 1.342 -6.006 1.00 11.41 C ANISOU 90 C8 A A 105 1302 1788 1242 334 89 3 C ATOM 91 N7 A A 105 -5.152 1.415 -7.108 1.00 10.62 N ANISOU 91 N7 A A 105 1059 1536 1438 159 -103 233 N ATOM 92 C5 A A 105 -4.281 2.471 -6.857 1.00 9.44 C ANISOU 92 C5 A A 105 1105 1177 1303 133 42 156 C ATOM 93 C4 A A 105 -4.516 3.002 -5.608 1.00 10.34 C ANISOU 93 C4 A A 105 1184 1377 1368 182 -41 146 C ATOM 94 N3 A A 105 -3.888 4.051 -5.017 1.00 10.45 N ANISOU 94 N3 A A 105 1186 1389 1393 -59 65 123 N ATOM 95 C2 A A 105 -2.890 4.520 -5.825 1.00 10.19 C ANISOU 95 C2 A A 105 1099 1457 1313 61 -57 231 C ATOM 96 N1 A A 105 -2.546 4.075 -7.024 1.00 9.47 N ANISOU 96 N1 A A 105 1100 1389 1106 -14 -288 240 N ATOM 97 C6 A A 105 -3.214 3.038 -7.609 1.00 10.25 C ANISOU 97 C6 A A 105 1119 1346 1429 274 -163 99 C ATOM 98 N6 A A 105 -2.857 2.605 -8.833 1.00 10.94 N ANISOU 98 N6 A A 105 1160 1716 1280 30 -133 286 N ATOM 99 C2' A A 105 -7.026 3.708 -3.682 1.00 12.65 C ANISOU 99 C2' A A 105 1432 1471 1899 333 91 359 C ATOM 100 C3' A A 105 -8.383 3.137 -4.015 1.00 13.60 C ANISOU 100 C3' A A 105 1359 1533 2273 149 392 605 C ATOM 101 O3' A A 105 -9.420 3.932 -3.418 1.00 15.14 O ANISOU 101 O3' A A 105 1988 1739 2024 403 503 723 O ATOM 102 O2 UMS A 106 -4.266 7.334 -7.997 1.00 11.54 O ANISOU 102 O2 UMS A 106 1440 1637 1304 -38 -24 48 O ATOM 103 C2 UMS A 106 -5.092 6.366 -8.070 1.00 10.50 C ANISOU 103 C2 UMS A 106 1059 1633 1295 168 4 79 C ATOM 104 N3 UMS A 106 -4.960 5.447 -9.060 1.00 10.82 N ANISOU 104 N3 UMS A 106 1200 1544 1365 205 33 -130 N ATOM 105 C4 UMS A 106 -5.810 4.437 -9.168 1.00 10.32 C ANISOU 105 C4 UMS A 106 1306 1378 1235 332 -145 -81 C ATOM 106 O4 UMS A 106 -5.705 3.625 -10.087 1.00 11.87 O ANISOU 106 O4 UMS A 106 1536 1498 1473 95 23 37 O ATOM 107 C5 UMS A 106 -6.882 4.334 -8.218 1.00 10.85 C ANISOU 107 C5 UMS A 106 1197 1316 1609 238 -34 9 C ATOM 108 C6 UMS A 106 -6.967 5.259 -7.220 1.00 10.89 C ANISOU 108 C6 UMS A 106 1310 1582 1244 281 25 117 C ATOM 109 N1 UMS A 106 -6.082 6.279 -7.141 1.00 10.79 N ANISOU 109 N1 UMS A 106 1334 1464 1300 78 104 -130 N ATOM 110 C1' UMS A 106 -6.120 7.275 -6.062 1.00 12.18 C ANISOU 110 C1' UMS A 106 1696 1728 1202 96 273 211 C ATOM 111 O4' UMS A 106 -6.862 6.747 -4.963 1.00 12.47 O ANISOU 111 O4' UMS A 106 1951 1536 1250 328 212 281 O ATOM 112 C2' UMS A 106 -6.790 8.592 -6.402 1.00 12.25 C ANISOU 112 C2' UMS A 106 1631 1578 1444 137 -57 209 C ATOM 113 C3' UMS A 106 -8.184 8.142 -6.172 1.00 13.58 C ANISOU 113 C3' UMS A 106 1526 2123 1509 374 189 442 C ATOM 114 O3' UMS A 106 -9.191 9.212 -6.190 1.00 14.93 O ANISOU 114 O3' UMS A 106 2167 1703 1800 -12 96 312 O ATOM 115 C6' UMS A 106 -6.422 9.446 -5.206 1.00 14.15 C ANISOU 115 C6' UMS A 106 2329 1650 1395 66 -19 291 C ATOM 116 C7' UMS A 106 -6.567 10.920 -5.410 1.00 17.95 C ANISOU 116 C7' UMS A 106 3162 1747 1911 171 -169 -232 C ATOM 117 C8' UMS A 106 -7.345 8.932 -4.088 1.00 15.40 C ANISOU 117 C8' UMS A 106 2462 1922 1468 91 36 199 C ATOM 118 C4' UMS A 106 -7.934 7.684 -4.755 1.00 13.98 C ANISOU 118 C4' UMS A 106 1692 1964 1654 20 -132 245 C ATOM 119 C5' UMS A 106 -9.114 7.001 -4.088 1.00 13.09 C ANISOU 119 C5' UMS A 106 1457 1667 1847 115 139 111 C ATOM 120 O5' UMS A 106 -9.550 5.917 -4.942 1.00 14.61 O ANISOU 120 O5' UMS A 106 1722 1615 2214 156 297 538 O ATOM 121 P UMS A 106 -10.442 4.754 -4.353 1.00 17.05 P ANISOU 121 P UMS A 106 1484 2307 2685 273 206 571 P ATOM 122 OP1 UMS A 106 -11.572 5.359 -3.452 1.00 23.11 O ANISOU 122 OP1 UMS A 106 2249 3531 2998 612 803 516 O ATOM 123 OP2 UMS A 106 -10.873 3.958 -5.618 1.00 20.17 O ANISOU 123 OP2 UMS A 106 1722 2457 3482 64 -203 187 O ATOM 124 P A A 107 -10.224 9.389 -7.367 1.00 15.16 P ANISOU 124 P A A 107 1734 2130 1897 295 435 336 P ATOM 125 O1P A A 107 -11.262 10.344 -6.822 1.00 17.46 O ANISOU 125 O1P A A 107 2173 2226 2233 660 870 28 O ATOM 126 O2P A A 107 -10.686 8.095 -7.922 1.00 16.15 O ANISOU 126 O2P A A 107 1602 2354 2177 94 318 227 O ATOM 127 O5' A A 107 -9.389 10.083 -8.554 1.00 11.98 O ANISOU 127 O5' A A 107 1500 1611 1437 309 330 243 O ATOM 128 C5' A A 107 -9.004 11.425 -8.370 1.00 12.92 C ANISOU 128 C5' A A 107 1740 1517 1650 279 230 84 C ATOM 129 C4' A A 107 -7.963 11.777 -9.371 1.00 11.93 C ANISOU 129 C4' A A 107 1413 1879 1241 267 97 176 C ATOM 130 O4' A A 107 -6.766 10.960 -9.155 1.00 12.53 O ANISOU 130 O4' A A 107 1795 1684 1280 272 -44 -2 O ATOM 131 C1' A A 107 -6.137 10.683 -10.450 1.00 11.41 C ANISOU 131 C1' A A 107 1504 1317 1514 73 -126 232 C ATOM 132 N9 A A 107 -6.256 9.256 -10.752 1.00 9.95 N ANISOU 132 N9 A A 107 1150 1350 1281 95 -18 100 N ATOM 133 C8 A A 107 -7.143 8.317 -10.246 1.00 11.55 C ANISOU 133 C8 A A 107 1529 1407 1453 -64 -88 137 C ATOM 134 N7 A A 107 -7.017 7.136 -10.792 1.00 12.17 N ANISOU 134 N7 A A 107 1185 1610 1829 186 -39 248 N ATOM 135 C5 A A 107 -5.987 7.291 -11.752 1.00 9.78 C ANISOU 135 C5 A A 107 1068 1459 1189 185 -53 -2 C ATOM 136 C4 A A 107 -5.538 8.592 -11.750 1.00 11.13 C ANISOU 136 C4 A A 107 1340 1703 1183 141 -13 89 C ATOM 137 N3 A A 107 -4.584 9.130 -12.545 1.00 10.42 N ANISOU 137 N3 A A 107 1153 1361 1442 -60 30 166 N ATOM 138 C2 A A 107 -4.087 8.250 -13.356 1.00 9.80 C ANISOU 138 C2 A A 107 883 1346 1493 141 -248 15 C ATOM 139 N1 A A 107 -4.407 6.979 -13.471 1.00 10.51 N ANISOU 139 N1 A A 107 1166 1522 1302 22 70 -55 N ATOM 140 C6 A A 107 -5.393 6.434 -12.692 1.00 10.03 C ANISOU 140 C6 A A 107 1110 1267 1432 176 -106 220 C ATOM 141 N6 A A 107 -5.683 5.124 -12.839 1.00 11.05 N ANISOU 141 N6 A A 107 1360 1353 1484 -65 -85 -131 N ATOM 142 C2' A A 107 -6.946 11.556 -11.473 1.00 11.97 C ANISOU 142 C2' A A 107 1386 1954 1207 272 -107 362 C ATOM 143 C3' A A 107 -8.349 11.551 -10.851 1.00 11.63 C ANISOU 143 C3' A A 107 1276 1769 1373 406 278 159 C ATOM 144 O3' A A 107 -9.138 12.623 -11.251 1.00 12.09 O ANISOU 144 O3' A A 107 1507 1764 1322 57 116 -188 O ATOM 146 P C A 108 -10.163 12.475 -12.483 1.00 13.03 P ANISOU 146 P C A 108 1456 1816 1676 333 102 114 P ATOM 147 O1P C A 108 -10.810 11.121 -12.401 1.00 14.79 O ANISOU 147 O1P C A 108 1487 2443 1688 -44 230 -103 O ATOM 148 O2P C A 108 -10.924 13.700 -12.487 1.00 15.99 O ANISOU 148 O2P C A 108 2110 2371 1594 809 140 27 O ATOM 149 O5' C A 108 -9.243 12.448 -13.800 1.00 11.54 O ANISOU 149 O5' C A 108 1351 1715 1317 -104 -47 -2 O ATOM 150 C5' C A 108 -8.427 13.580 -14.140 1.00 11.20 C ANISOU 150 C5' C A 108 1307 1479 1469 -51 123 -6 C ATOM 151 C4' C A 108 -7.446 13.236 -15.223 1.00 10.79 C ANISOU 151 C4' C A 108 1532 1610 957 419 -11 -394 C ATOM 152 O4' C A 108 -6.575 12.187 -14.730 1.00 10.32 O ANISOU 152 O4' C A 108 1248 1504 1168 -83 10 -135 O ATOM 153 C1' C A 108 -6.157 11.352 -15.793 1.00 9.36 C ANISOU 153 C1' C A 108 1219 1156 1181 -188 -184 -191 C ATOM 154 N1 C A 108 -6.636 9.998 -15.535 1.00 9.49 N ANISOU 154 N1 C A 108 1263 1281 1060 -174 21 -74 N ATOM 155 C2 C A 108 -6.076 8.993 -16.308 1.00 10.39 C ANISOU 155 C2 C A 108 1177 1476 1293 19 -99 -108 C ATOM 156 O2 C A 108 -5.160 9.309 -17.083 1.00 10.75 O ANISOU 156 O2 C A 108 1108 1506 1469 95 140 45 O ATOM 157 N3 C A 108 -6.484 7.708 -16.124 1.00 10.70 N ANISOU 157 N3 C A 108 1181 1498 1384 85 44 1 N ATOM 158 C4 C A 108 -7.474 7.433 -15.288 1.00 9.74 C ANISOU 158 C4 C A 108 1115 1248 1337 -250 -39 -37 C ATOM 159 N4 C A 108 -7.850 6.136 -15.149 1.00 11.15 N ANISOU 159 N4 C A 108 1503 1209 1524 -152 -124 -116 N ATOM 160 C5 C A 108 -8.100 8.457 -14.520 1.00 10.73 C ANISOU 160 C5 C A 108 1380 1312 1385 -33 -126 -127 C ATOM 161 C6 C A 108 -7.669 9.714 -14.661 1.00 9.60 C ANISOU 161 C6 C A 108 1039 1343 1266 -183 8 130 C ATOM 162 C2' C A 108 -6.738 11.971 -17.099 1.00 10.19 C ANISOU 162 C2' C A 108 1124 1527 1220 -8 -157 -56 C ATOM 163 C3' C A 108 -8.022 12.648 -16.497 1.00 9.94 C ANISOU 163 C3' C A 108 1462 1237 1076 284 -100 4 C ATOM 164 O3' C A 108 -8.523 13.723 -17.302 1.00 9.99 O ANISOU 164 O3' C A 108 1307 1389 1098 80 -143 -86 O ATOM 165 P G A 109 -9.513 13.439 -18.510 1.00 10.48 P ANISOU 165 P G A 109 1245 1502 1234 -17 -41 4 P ATOM 166 O1P G A 109 -10.641 12.530 -18.086 1.00 13.10 O ANISOU 166 O1P G A 109 1558 2008 1409 -303 -123 -93 O ATOM 167 O2P G A 109 -9.825 14.773 -19.032 1.00 12.62 O ANISOU 167 O2P G A 109 1614 1687 1490 53 280 59 O ATOM 168 O5' G A 109 -8.650 12.629 -19.575 1.00 9.38 O ANISOU 168 O5' G A 109 1126 1267 1170 -27 -34 -162 O ATOM 169 C5' G A 109 -7.614 13.282 -20.368 1.00 8.55 C ANISOU 169 C5' G A 109 1087 980 1178 -37 188 7 C ATOM 170 C4' G A 109 -7.029 12.241 -21.288 1.00 10.41 C ANISOU 170 C4' G A 109 1453 1342 1158 -19 -141 -191 C ATOM 171 O4' G A 109 -6.393 11.160 -20.529 1.00 10.07 O ANISOU 171 O4' G A 109 1044 1271 1508 -79 -134 -238 O ATOM 172 C1' G A 109 -6.528 9.946 -21.234 1.00 9.12 C ANISOU 172 C1' G A 109 1082 1137 1243 -114 -158 -42 C ATOM 173 N9 G A 109 -7.309 9.031 -20.410 1.00 8.95 N ANISOU 173 N9 G A 109 1088 1166 1145 53 -120 -50 N ATOM 174 C8 G A 109 -8.055 9.300 -19.289 1.00 9.39 C ANISOU 174 C8 G A 109 1156 1346 1063 139 -57 97 C ATOM 175 N7 G A 109 -8.597 8.220 -18.784 1.00 11.39 N ANISOU 175 N7 G A 109 1536 1384 1407 -12 -132 -26 N ATOM 176 C5 G A 109 -8.206 7.197 -19.634 1.00 9.79 C ANISOU 176 C5 G A 109 1178 1282 1258 -17 -123 243 C ATOM 177 C4 G A 109 -7.413 7.674 -20.642 1.00 8.94 C ANISOU 177 C4 G A 109 1101 1122 1172 303 -105 164 C ATOM 178 N3 G A 109 -6.851 7.030 -21.679 1.00 10.23 N ANISOU 178 N3 G A 109 1089 1343 1452 168 100 80 N ATOM 179 C2 G A 109 -7.099 5.725 -21.651 1.00 11.19 C ANISOU 179 C2 G A 109 1349 1464 1438 46 -98 44 C ATOM 180 N2 G A 109 -6.598 4.915 -22.645 1.00 11.04 N ANISOU 180 N2 G A 109 1541 1279 1374 67 -19 -11 N ATOM 181 N1 G A 109 -7.864 5.131 -20.671 1.00 9.52 N ANISOU 181 N1 G A 109 1026 1414 1176 34 -60 5 N ATOM 182 C6 G A 109 -8.475 5.793 -19.590 1.00 9.94 C ANISOU 182 C6 G A 109 1288 1169 1318 38 -130 -24 C ATOM 183 O6 G A 109 -9.127 5.164 -18.768 1.00 11.84 O ANISOU 183 O6 G A 109 1536 1605 1357 -113 -286 37 O ATOM 184 C2' G A 109 -7.176 10.253 -22.538 1.00 9.30 C ANISOU 184 C2' G A 109 1293 1077 1164 233 -235 197 C ATOM 185 C3' G A 109 -8.033 11.460 -22.129 1.00 8.20 C ANISOU 185 C3' G A 109 1286 908 922 -61 10 -93 C ATOM 186 O3' G A 109 -8.453 12.211 -23.237 1.00 9.55 O ANISOU 186 O3' G A 109 1098 1199 1331 -99 -229 54 O ATOM 187 P C A 110 -9.913 11.978 -23.815 1.00 10.57 P ANISOU 187 P C A 110 1197 1358 1460 73 -140 30 P ATOM 188 O1P C A 110 -10.955 11.838 -22.789 1.00 10.56 O ANISOU 188 O1P C A 110 1161 1292 1558 58 7 -255 O ATOM 189 O2P C A 110 -10.073 13.025 -24.815 1.00 12.88 O ANISOU 189 O2P C A 110 1593 1649 1650 25 -153 164 O ATOM 190 O5' C A 110 -9.782 10.572 -24.570 1.00 9.96 O ANISOU 190 O5' C A 110 1102 1371 1312 17 -216 33 O ATOM 191 C5' C A 110 -8.912 10.401 -25.670 1.00 9.69 C ANISOU 191 C5' C A 110 1211 1199 1271 -45 171 -9 C ATOM 192 C4' C A 110 -9.027 8.972 -26.185 1.00 10.03 C ANISOU 192 C4' C A 110 1095 1423 1291 -263 16 51 C ATOM 193 O4' C A 110 -8.540 8.043 -25.165 1.00 10.33 O ANISOU 193 O4' C A 110 1120 1406 1395 -63 -34 -7 O ATOM 194 C1' C A 110 -9.275 6.818 -25.257 1.00 9.66 C ANISOU 194 C1' C A 110 1189 1306 1174 81 33 181 C ATOM 195 N1 C A 110 -9.959 6.601 -23.938 1.00 8.75 N ANISOU 195 N1 C A 110 892 1200 1232 -32 98 -2 N ATOM 196 C2 C A 110 -10.332 5.284 -23.621 1.00 9.06 C ANISOU 196 C2 C A 110 938 1218 1284 130 -247 166 C ATOM 197 O2 C A 110 -10.096 4.367 -24.446 1.00 10.60 O ANISOU 197 O2 C A 110 1279 1377 1371 -95 72 -106 O ATOM 198 N3 C A 110 -10.943 5.042 -22.428 1.00 10.33 N ANISOU 198 N3 C A 110 1267 1423 1232 -31 257 -168 N ATOM 199 C4 C A 110 -11.211 6.088 -21.582 1.00 9.25 C ANISOU 199 C4 C A 110 1067 1475 973 89 88 -206 C ATOM 200 N4 C A 110 -11.826 5.825 -20.417 1.00 13.40 N ANISOU 200 N4 C A 110 1647 2050 1391 14 362 417 N ATOM 201 C5 C A 110 -10.856 7.435 -21.895 1.00 11.09 C ANISOU 201 C5 C A 110 1122 1667 1423 -399 -101 7 C ATOM 202 C6 C A 110 -10.216 7.661 -23.086 1.00 9.35 C ANISOU 202 C6 C A 110 710 1583 1259 40 -44 -227 C ATOM 203 C2' C A 110 -10.257 6.956 -26.416 1.00 9.43 C ANISOU 203 C2' C A 110 1344 1338 899 174 -114 -200 C ATOM 204 C3' C A 110 -10.456 8.480 -26.484 1.00 9.25 C ANISOU 204 C3' C A 110 1063 1290 1162 -102 -119 -81 C ATOM 205 O3' C A 110 -10.876 8.843 -27.768 1.00 10.12 O ANISOU 205 O3' C A 110 1345 1375 1125 -14 -181 -54 O ATOM 206 O5' G B 201 -12.023 -3.970 -17.677 1.00 25.99 O ANISOU 206 O5' G B 201 3868 3508 2497 579 7 438 O ATOM 207 C5' G B 201 -12.207 -5.066 -18.666 1.00 20.54 C ANISOU 207 C5' G B 201 3214 2640 1950 447 -162 628 C ATOM 208 C4' G B 201 -11.740 -4.668 -20.046 1.00 18.11 C ANISOU 208 C4' G B 201 2371 2305 2206 2 -165 465 C ATOM 209 O4' G B 201 -12.692 -3.769 -20.604 1.00 15.26 O ANISOU 209 O4' G B 201 2120 1592 2085 -170 161 412 O ATOM 210 C1' G B 201 -12.007 -2.787 -21.347 1.00 15.70 C ANISOU 210 C1' G B 201 1885 1745 2335 -213 144 181 C ATOM 211 N9 G B 201 -12.226 -1.463 -20.692 1.00 13.76 N ANISOU 211 N9 G B 201 1675 1940 1612 78 -122 187 N ATOM 212 C8 G B 201 -12.875 -1.200 -19.537 1.00 15.24 C ANISOU 212 C8 G B 201 1719 2093 1976 151 634 339 C ATOM 213 N7 G B 201 -12.954 0.058 -19.235 1.00 14.99 N ANISOU 213 N7 G B 201 2109 1724 1862 7 517 148 N ATOM 214 C5 G B 201 -12.325 0.681 -20.296 1.00 11.28 C ANISOU 214 C5 G B 201 1388 1539 1357 -144 145 94 C ATOM 215 C4 G B 201 -11.876 -0.229 -21.204 1.00 13.82 C ANISOU 215 C4 G B 201 1709 1639 1901 -164 73 140 C ATOM 216 N3 G B 201 -11.215 -0.024 -22.378 1.00 11.91 N ANISOU 216 N3 G B 201 1528 1629 1365 -126 82 54 N ATOM 217 C2 G B 201 -11.019 1.273 -22.617 1.00 10.63 C ANISOU 217 C2 G B 201 1156 1596 1286 -124 46 -23 C ATOM 218 N2 G B 201 -10.348 1.651 -23.708 1.00 10.61 N ANISOU 218 N2 G B 201 1039 1705 1285 57 17 27 N ATOM 219 N1 G B 201 -11.413 2.259 -21.755 1.00 10.63 N ANISOU 219 N1 G B 201 1303 1444 1292 75 -44 72 N ATOM 220 C6 G B 201 -12.109 2.042 -20.547 1.00 11.26 C ANISOU 220 C6 G B 201 1540 1340 1398 268 37 126 C ATOM 221 O6 G B 201 -12.440 3.019 -19.847 1.00 13.55 O ANISOU 221 O6 G B 201 1962 1549 1636 354 80 -194 O ATOM 222 C2' G B 201 -10.567 -3.229 -21.486 1.00 13.93 C ANISOU 222 C2' G B 201 1763 1613 1917 -110 -96 36 C ATOM 223 C3' G B 201 -10.393 -3.946 -20.143 1.00 15.03 C ANISOU 223 C3' G B 201 1943 1910 1857 108 111 435 C ATOM 224 O3' G B 201 -9.312 -4.907 -20.224 1.00 13.44 O ANISOU 224 O3' G B 201 1911 1297 1896 -56 50 159 O ATOM 225 P C B 202 -7.837 -4.590 -19.776 1.00 14.76 P ANISOU 225 P C B 202 2088 1590 1927 83 -110 226 P ATOM 226 O1P C B 202 -7.069 -5.861 -19.938 1.00 17.99 O ANISOU 226 O1P C B 202 2414 1990 2431 328 -125 426 O ATOM 227 O2P C B 202 -7.854 -3.893 -18.475 1.00 15.76 O ANISOU 227 O2P C B 202 2221 2086 1681 -40 121 337 O ATOM 228 O5' C B 202 -7.324 -3.506 -20.861 1.00 13.20 O ANISOU 228 O5' C B 202 2122 1658 1234 3 -144 287 O ATOM 229 C5' C B 202 -7.055 -3.890 -22.194 1.00 12.10 C ANISOU 229 C5' C B 202 2090 1264 1243 -45 88 282 C ATOM 230 C4' C B 202 -6.637 -2.659 -22.979 1.00 11.65 C ANISOU 230 C4' C B 202 1659 1329 1435 9 -28 33 C ATOM 231 O4' C B 202 -7.759 -1.765 -23.072 1.00 12.20 O ANISOU 231 O4' C B 202 1992 1294 1349 31 -77 -184 O ATOM 232 C1' C B 202 -7.216 -0.420 -23.041 1.00 10.22 C ANISOU 232 C1' C B 202 1408 1096 1375 -89 2 -248 C ATOM 233 N1 C B 202 -7.730 0.225 -21.841 1.00 9.63 N ANISOU 233 N1 C B 202 1352 995 1310 73 61 -174 N ATOM 234 C2 C B 202 -7.699 1.633 -21.835 1.00 9.97 C ANISOU 234 C2 C B 202 1338 1242 1205 13 -157 87 C ATOM 235 O2 C B 202 -7.227 2.222 -22.806 1.00 9.97 O ANISOU 235 O2 C B 202 1220 1183 1385 51 2 61 O ATOM 236 N3 C B 202 -8.195 2.303 -20.730 1.00 10.22 N ANISOU 236 N3 C B 202 1444 1336 1102 41 -158 110 N ATOM 237 C4 C B 202 -8.702 1.601 -19.704 1.00 9.51 C ANISOU 237 C4 C B 202 1210 1361 1040 63 260 -67 C ATOM 238 N4 C B 202 -9.165 2.306 -18.649 1.00 12.04 N ANISOU 238 N4 C B 202 1775 1580 1217 231 13 -199 N ATOM 239 C5 C B 202 -8.717 0.153 -19.710 1.00 9.27 C ANISOU 239 C5 C B 202 1310 1237 972 -23 -90 -6 C ATOM 240 C6 C B 202 -8.252 -0.481 -20.769 1.00 10.55 C ANISOU 240 C6 C B 202 1436 1445 1125 -165 -86 -278 C ATOM 241 C2' C B 202 -5.701 -0.507 -23.082 1.00 11.01 C ANISOU 241 C2' C B 202 1242 1601 1338 -140 -238 311 C ATOM 242 C3' C B 202 -5.547 -1.851 -22.349 1.00 11.80 C ANISOU 242 C3' C B 202 1550 1392 1540 63 -68 24 C ATOM 243 O3' C B 202 -4.222 -2.473 -22.583 1.00 13.35 O ANISOU 243 O3' C B 202 1710 1361 1998 106 -147 -112 O ATOM 244 P G B 203 -3.044 -2.222 -21.546 1.00 14.05 P ANISOU 244 P G B 203 1782 1667 1888 134 -134 101 P ATOM 245 O1P G B 203 -3.553 -2.502 -20.184 1.00 16.48 O ANISOU 245 O1P G B 203 2330 1940 1992 43 -180 640 O ATOM 246 O2P G B 203 -1.877 -2.951 -22.109 1.00 14.49 O ANISOU 246 O2P G B 203 1758 1614 2132 222 30 37 O ATOM 247 O5' G B 203 -2.775 -0.647 -21.583 1.00 11.12 O ANISOU 247 O5' G B 203 1419 1325 1480 153 -249 -155 O ATOM 248 C5' G B 203 -2.137 -0.104 -22.715 1.00 11.75 C ANISOU 248 C5' G B 203 1836 1089 1538 -109 374 279 C ATOM 249 C4' G B 203 -2.106 1.427 -22.600 1.00 13.07 C ANISOU 249 C4' G B 203 1728 1739 1496 24 362 59 C ATOM 250 O4' G B 203 -3.439 1.957 -22.488 1.00 11.39 O ANISOU 250 O4' G B 203 1486 1516 1325 68 -83 -119 O ATOM 251 C1' G B 203 -3.394 3.180 -21.810 1.00 10.48 C ANISOU 251 C1' G B 203 1142 1440 1396 -115 149 -266 C ATOM 252 N9 G B 203 -4.216 3.075 -20.604 1.00 11.23 N ANISOU 252 N9 G B 203 1397 1403 1467 -28 -172 -192 N ATOM 253 C8 G B 203 -4.764 1.935 -20.026 1.00 10.48 C ANISOU 253 C8 G B 203 1252 1430 1300 53 -164 158 C ATOM 254 N7 G B 203 -5.439 2.180 -18.907 1.00 10.69 N ANISOU 254 N7 G B 203 1218 1488 1354 -139 -117 71 N ATOM 255 C5 G B 203 -5.321 3.582 -18.762 1.00 9.53 C ANISOU 255 C5 G B 203 887 1363 1368 -112 23 68 C ATOM 256 C4 G B 203 -4.561 4.127 -19.782 1.00 9.60 C ANISOU 256 C4 G B 203 1147 1321 1179 46 -94 -67 C ATOM 257 N3 G B 203 -4.229 5.427 -19.964 1.00 10.78 N ANISOU 257 N3 G B 203 1212 1264 1618 -34 -135 -80 N ATOM 258 C2 G B 203 -4.665 6.209 -19.031 1.00 10.36 C ANISOU 258 C2 G B 203 1128 1386 1419 56 -145 177 C ATOM 259 N2 G B 203 -4.390 7.531 -19.070 1.00 10.03 N ANISOU 259 N2 G B 203 1178 1196 1435 -7 -203 257 N ATOM 260 N1 G B 203 -5.427 5.768 -17.965 1.00 9.89 N ANISOU 260 N1 G B 203 1068 1462 1228 120 102 12 N ATOM 261 C6 G B 203 -5.815 4.453 -17.744 1.00 11.13 C ANISOU 261 C6 G B 203 1089 1617 1521 219 -94 21 C ATOM 262 O6 G B 203 -6.476 4.181 -16.738 1.00 11.49 O ANISOU 262 O6 G B 203 1663 1314 1387 -34 -26 208 O ATOM 263 C2' G B 203 -1.921 3.377 -21.456 1.00 11.45 C ANISOU 263 C2' G B 203 1404 1487 1456 66 48 -41 C ATOM 264 C3' G B 203 -1.477 1.937 -21.338 1.00 11.39 C ANISOU 264 C3' G B 203 1379 1541 1407 195 153 -222 C ATOM 265 O3' G B 203 -0.002 1.840 -21.466 1.00 12.46 O ANISOU 265 O3' G B 203 1419 1612 1701 38 39 -158 O ATOM 266 P T B 204 0.890 1.774 -20.139 1.00 12.66 P ANISOU 266 P T B 204 1521 1617 1670 168 20 -86 P ATOM 267 O1P T B 204 0.273 0.826 -19.174 1.00 15.28 O ANISOU 267 O1P T B 204 1804 1936 2063 110 -290 -49 O ATOM 268 O2P T B 204 2.292 1.598 -20.607 1.00 15.43 O ANISOU 268 O2P T B 204 1668 2322 1869 438 87 -284 O ATOM 269 O5' T B 204 0.797 3.236 -19.534 1.00 12.33 O ANISOU 269 O5' T B 204 1482 1550 1652 173 -57 -143 O ATOM 270 C5' T B 204 1.315 4.398 -20.223 1.00 12.33 C ANISOU 270 C5' T B 204 1625 1489 1568 64 326 -50 C ATOM 271 C4' T B 204 0.994 5.627 -19.412 1.00 10.69 C ANISOU 271 C4' T B 204 1430 1453 1175 53 -155 -65 C ATOM 272 O4' T B 204 -0.445 5.796 -19.321 1.00 11.44 O ANISOU 272 O4' T B 204 1480 1552 1313 124 83 -62 O ATOM 273 C1' T B 204 -0.756 6.493 -18.129 1.00 10.16 C ANISOU 273 C1' T B 204 1427 1155 1278 -140 13 118 C ATOM 274 N1 T B 204 -1.622 5.666 -17.276 1.00 10.64 N ANISOU 274 N1 T B 204 1334 1394 1315 80 306 46 N ATOM 275 C2 T B 204 -2.288 6.346 -16.266 1.00 9.64 C ANISOU 275 C2 T B 204 1193 1206 1261 137 111 -1 C ATOM 276 O2 T B 204 -2.182 7.563 -16.097 1.00 10.72 O ANISOU 276 O2 T B 204 1520 1376 1174 151 -58 -37 O ATOM 277 N3 T B 204 -3.074 5.570 -15.477 1.00 9.58 N ANISOU 277 N3 T B 204 1184 1253 1202 -169 -264 195 N ATOM 278 C4 T B 204 -3.253 4.187 -15.563 1.00 9.99 C ANISOU 278 C4 T B 204 1287 1529 978 -27 -211 57 C ATOM 279 O4 T B 204 -3.980 3.608 -14.746 1.00 12.42 O ANISOU 279 O4 T B 204 1540 1649 1530 -66 28 91 O ATOM 280 C5 T B 204 -2.486 3.527 -16.644 1.00 10.36 C ANISOU 280 C5 T B 204 1276 1233 1427 105 123 54 C ATOM 281 C5M T B 204 -2.581 2.031 -16.837 1.00 12.62 C ANISOU 281 C5M T B 204 1633 1231 1928 46 20 -46 C ATOM 282 C6 T B 204 -1.723 4.312 -17.446 1.00 10.86 C ANISOU 282 C6 T B 204 1431 1305 1387 19 -69 9 C ATOM 283 C2' T B 204 0.580 6.820 -17.465 1.00 11.17 C ANISOU 283 C2' T B 204 1088 1401 1755 138 -128 -223 C ATOM 284 C3' T B 204 1.416 5.644 -17.944 1.00 12.35 C ANISOU 284 C3' T B 204 1035 2005 1650 182 -40 -159 C ATOM 285 O3' T B 204 2.840 5.922 -17.889 1.00 13.55 O ANISOU 285 O3' T B 204 1389 2154 1604 49 304 -232 O ATOM 286 P A B 205 3.655 5.632 -16.554 1.00 16.55 P ANISOU 286 P A B 205 1465 2659 2163 217 -2 -272 P ATOM 287 O1P A B 205 3.300 4.330 -16.076 1.00 16.11 O ANISOU 287 O1P A B 205 1705 2253 2162 653 -349 -254 O ATOM 288 O2P A B 205 5.081 5.932 -16.875 1.00 19.18 O ANISOU 288 O2P A B 205 1630 3633 2022 163 248 -639 O ATOM 289 O5' A B 205 3.125 6.662 -15.524 1.00 13.80 O ANISOU 289 O5' A B 205 1511 1979 1751 27 224 -480 O ATOM 290 C5' A B 205 3.402 8.042 -15.671 1.00 16.34 C ANISOU 290 C5' A B 205 2175 2245 1785 -243 -5 -319 C ATOM 291 C4' A B 205 2.730 8.781 -14.538 1.00 12.50 C ANISOU 291 C4' A B 205 1477 1632 1639 -166 35 -22 C ATOM 292 O4' A B 205 1.324 8.539 -14.593 1.00 11.45 O ANISOU 292 O4' A B 205 1406 1530 1413 -149 -41 160 O ATOM 293 C1' A B 205 0.801 8.540 -13.248 1.00 11.93 C ANISOU 293 C1' A B 205 1625 1459 1448 -152 177 45 C ATOM 294 N9 A B 205 0.175 7.254 -13.085 1.00 10.61 N ANISOU 294 N9 A B 205 1287 1532 1210 -86 -24 104 N ATOM 295 C8 A B 205 0.389 6.108 -13.817 1.00 11.87 C ANISOU 295 C8 A B 205 1592 1369 1549 -44 -182 189 C ATOM 296 N7 A B 205 -0.390 5.074 -13.454 1.00 11.05 N ANISOU 296 N7 A B 205 1515 1547 1136 12 -67 74 N ATOM 297 C5 A B 205 -1.184 5.616 -12.433 1.00 9.45 C ANISOU 297 C5 A B 205 1088 1320 1181 174 77 80 C ATOM 298 C4 A B 205 -0.858 6.955 -12.208 1.00 8.96 C ANISOU 298 C4 A B 205 865 1518 1020 -82 -111 66 C ATOM 299 N3 A B 205 -1.420 7.792 -11.291 1.00 10.99 N ANISOU 299 N3 A B 205 1318 1577 1279 -42 -81 -11 N ATOM 300 C2 A B 205 -2.389 7.115 -10.627 1.00 9.53 C ANISOU 300 C2 A B 205 963 1371 1284 -44 -70 23 C ATOM 301 N1 A B 205 -2.759 5.882 -10.767 1.00 10.66 N ANISOU 301 N1 A B 205 1216 1450 1384 20 262 259 N ATOM 302 C6 A B 205 -2.242 5.096 -11.661 1.00 10.10 C ANISOU 302 C6 A B 205 1463 1186 1186 115 -56 116 C ATOM 303 N6 A B 205 -2.722 3.838 -11.789 1.00 10.49 N ANISOU 303 N6 A B 205 1228 1399 1356 -21 -261 291 N ATOM 304 C2' A B 205 1.940 8.865 -12.329 1.00 11.69 C ANISOU 304 C2' A B 205 1060 1896 1482 -242 -119 -242 C ATOM 305 C3' A B 205 3.063 8.291 -13.131 1.00 12.35 C ANISOU 305 C3' A B 205 1350 1980 1359 -177 132 -50 C ATOM 306 O3' A B 205 4.301 8.840 -12.755 1.00 13.21 O ANISOU 306 O3' A B 205 1506 1850 1660 -204 39 51 O ATOM 307 O2 UMS B 206 -0.406 6.971 -6.807 1.00 11.06 O ANISOU 307 O2 UMS B 206 1170 1540 1490 -74 10 -4 O ATOM 308 C2 UMS B 206 0.116 6.430 -7.832 1.00 9.96 C ANISOU 308 C2 UMS B 206 1161 1090 1533 26 296 36 C ATOM 309 N3 UMS B 206 -0.339 5.261 -8.300 1.00 9.96 N ANISOU 309 N3 UMS B 206 1105 1603 1075 -84 -170 30 N ATOM 310 C4 UMS B 206 0.224 4.645 -9.354 1.00 10.39 C ANISOU 310 C4 UMS B 206 976 1506 1464 27 -161 36 C ATOM 311 O4 UMS B 206 -0.211 3.532 -9.748 1.00 11.72 O ANISOU 311 O4 UMS B 206 959 1832 1661 -182 -62 34 O ATOM 312 C5 UMS B 206 1.367 5.265 -9.965 1.00 11.29 C ANISOU 312 C5 UMS B 206 1085 1899 1303 -110 -201 85 C ATOM 313 C6 UMS B 206 1.772 6.485 -9.484 1.00 9.99 C ANISOU 313 C6 UMS B 206 1001 1369 1423 110 -344 82 C ATOM 314 N1 UMS B 206 1.191 7.032 -8.422 1.00 10.13 N ANISOU 314 N1 UMS B 206 1180 1263 1404 -251 33 105 N ATOM 315 C1' UMS B 206 1.642 8.369 -7.898 1.00 11.08 C ANISOU 315 C1' UMS B 206 1639 1393 1175 -218 52 276 C ATOM 316 O4' UMS B 206 2.381 9.055 -8.969 1.00 11.34 O ANISOU 316 O4' UMS B 206 1204 1498 1606 -100 -76 312 O ATOM 317 C2' UMS B 206 2.598 8.359 -6.738 1.00 11.28 C ANISOU 317 C2' UMS B 206 1480 1494 1310 -297 -87 -157 C ATOM 318 C3' UMS B 206 3.826 8.080 -7.542 1.00 11.44 C ANISOU 318 C3' UMS B 206 1310 1742 1296 -58 -124 324 C ATOM 319 O3' UMS B 206 5.052 8.201 -6.790 1.00 13.17 O ANISOU 319 O3' UMS B 206 1698 1709 1594 -356 -250 451 O ATOM 320 C6' UMS B 206 2.702 9.892 -6.407 1.00 12.55 C ANISOU 320 C6' UMS B 206 1755 1607 1405 -223 -109 97 C ATOM 321 C7' UMS B 206 3.244 10.200 -5.042 1.00 16.30 C ANISOU 321 C7' UMS B 206 2267 2131 1792 -157 -203 84 C ATOM 322 C8' UMS B 206 3.617 10.431 -7.516 1.00 11.24 C ANISOU 322 C8' UMS B 206 1373 1735 1161 -71 -85 89 C ATOM 323 C4' UMS B 206 3.710 9.252 -8.469 1.00 10.41 C ANISOU 323 C4' UMS B 206 1215 1365 1375 -143 -165 325 C ATOM 324 C5' UMS B 206 4.727 9.354 -9.604 1.00 11.45 C ANISOU 324 C5' UMS B 206 1528 1590 1229 -79 18 27 C ATOM 325 O5' UMS B 206 4.675 8.143 -10.338 1.00 11.70 O ANISOU 325 O5' UMS B 206 1468 1736 1240 -123 32 140 O ATOM 326 P UMS B 206 5.305 8.030 -11.744 1.00 14.67 P ANISOU 326 P UMS B 206 1468 2171 1932 17 77 -94 P ATOM 327 OP1 UMS B 206 6.699 8.712 -11.797 1.00 18.19 O ANISOU 327 OP1 UMS B 206 2086 2863 1962 -435 244 -117 O ATOM 328 OP2 UMS B 206 5.306 6.529 -12.058 1.00 15.08 O ANISOU 328 OP2 UMS B 206 1740 2176 1814 388 -127 57 O ATOM 329 P A B 207 5.905 6.938 -6.244 1.00 13.25 P ANISOU 329 P A B 207 1415 1801 1818 -55 -273 164 P ATOM 330 O1P A B 207 5.912 5.869 -7.254 1.00 14.69 O ANISOU 330 O1P A B 207 1568 2062 1949 173 -184 147 O ATOM 331 O2P A B 207 7.250 7.473 -5.787 1.00 15.98 O ANISOU 331 O2P A B 207 1250 2404 2414 -253 -350 223 O ATOM 332 O5' A B 207 5.099 6.352 -4.986 1.00 12.76 O ANISOU 332 O5' A B 207 1788 1589 1471 -337 -141 154 O ATOM 333 C5' A B 207 5.043 7.152 -3.796 1.00 12.68 C ANISOU 333 C5' A B 207 1395 1832 1589 -73 33 -86 C ATOM 334 C4' A B 207 3.922 6.635 -2.896 1.00 13.80 C ANISOU 334 C4' A B 207 1729 1701 1811 -57 -201 48 C ATOM 335 O4' A B 207 2.647 6.710 -3.575 1.00 13.76 O ANISOU 335 O4' A B 207 1789 1566 1872 -380 -308 87 O ATOM 336 C1' A B 207 1.812 5.634 -3.174 1.00 13.14 C ANISOU 336 C1' A B 207 1774 1438 1780 -250 -154 24 C ATOM 337 N9 A B 207 1.566 4.760 -4.329 1.00 11.33 N ANISOU 337 N9 A B 207 1538 1387 1379 -186 -190 200 N ATOM 338 C8 A B 207 2.264 4.696 -5.499 1.00 10.59 C ANISOU 338 C8 A B 207 1429 1355 1239 46 -243 -28 C ATOM 339 N7 A B 207 1.795 3.774 -6.357 1.00 11.12 N ANISOU 339 N7 A B 207 1264 1479 1480 -144 -172 184 N ATOM 340 C5 A B 207 0.752 3.201 -5.650 1.00 9.44 C ANISOU 340 C5 A B 207 1044 1267 1276 0 -229 259 C ATOM 341 C4 A B 207 0.605 3.793 -4.409 1.00 11.20 C ANISOU 341 C4 A B 207 1249 1383 1623 8 -166 94 C ATOM 342 N3 A B 207 -0.302 3.489 -3.449 1.00 10.97 N ANISOU 342 N3 A B 207 1205 1589 1373 106 -94 68 N ATOM 343 C2 A B 207 -1.106 2.490 -3.836 1.00 11.51 C ANISOU 343 C2 A B 207 1372 1459 1541 246 -467 151 C ATOM 344 N1 A B 207 -1.092 1.812 -4.993 1.00 10.36 N ANISOU 344 N1 A B 207 1064 1560 1310 -137 113 59 N ATOM 345 C6 A B 207 -0.149 2.136 -5.963 1.00 9.28 C ANISOU 345 C6 A B 207 1124 1139 1261 104 -52 158 C ATOM 346 N6 A B 207 -0.151 1.493 -7.129 1.00 9.84 N ANISOU 346 N6 A B 207 1209 1271 1256 228 -258 151 N ATOM 347 C2' A B 207 2.602 4.890 -2.062 1.00 14.00 C ANISOU 347 C2' A B 207 1921 1874 1524 -475 -528 26 C ATOM 348 C3' A B 207 4.046 5.156 -2.507 1.00 13.48 C ANISOU 348 C3' A B 207 1803 1597 1720 -649 -654 247 C ATOM 349 O3' A B 207 4.976 5.014 -1.391 1.00 15.59 O ANISOU 349 O3' A B 207 2324 1716 1884 -778 -325 171 O ATOM 351 P C B 208 5.953 3.738 -1.311 1.00 16.66 P ANISOU 351 P C B 208 1710 2451 2166 -353 -444 381 P ATOM 352 O1P C B 208 6.404 3.379 -2.688 1.00 20.59 O ANISOU 352 O1P C B 208 1860 3298 2664 350 238 863 O ATOM 353 O2P C B 208 6.934 3.990 -0.225 1.00 20.09 O ANISOU 353 O2P C B 208 2226 2704 2701 -753 -1001 685 O ATOM 354 O5' C B 208 4.930 2.604 -0.850 1.00 12.93 O ANISOU 354 O5' C B 208 1474 1824 1613 -198 -279 -49 O ATOM 355 C5' C B 208 4.216 2.709 0.398 1.00 12.23 C ANISOU 355 C5' C B 208 1975 1613 1056 -324 -166 -299 C ATOM 356 C4' C B 208 3.108 1.679 0.392 1.00 12.17 C ANISOU 356 C4' C B 208 1609 1639 1373 -158 -427 40 C ATOM 357 O4' C B 208 2.213 1.937 -0.688 1.00 10.64 O ANISOU 357 O4' C B 208 1292 1423 1328 60 -105 -84 O ATOM 358 C1' C B 208 1.693 0.675 -1.191 1.00 9.62 C ANISOU 358 C1' C B 208 1168 1442 1046 -106 -205 -61 C ATOM 359 N1 C B 208 2.016 0.537 -2.626 1.00 9.84 N ANISOU 359 N1 C B 208 1136 1358 1243 19 -69 -115 N ATOM 360 C2 C B 208 1.197 -0.296 -3.383 1.00 10.15 C ANISOU 360 C2 C B 208 1244 1339 1273 -124 -111 -77 C ATOM 361 O2 C B 208 0.253 -0.848 -2.816 1.00 10.62 O ANISOU 361 O2 C B 208 1252 1485 1296 -130 -162 -147 O ATOM 362 N3 C B 208 1.452 -0.448 -4.702 1.00 8.58 N ANISOU 362 N3 C B 208 923 1183 1151 22 -127 -27 N ATOM 363 C4 C B 208 2.500 0.159 -5.262 1.00 9.26 C ANISOU 363 C4 C B 208 1088 1341 1088 58 -7 -21 C ATOM 364 N4 C B 208 2.714 -0.047 -6.554 1.00 10.58 N ANISOU 364 N4 C B 208 1408 1485 1126 141 103 2 N ATOM 365 C5 C B 208 3.397 1.007 -4.493 1.00 10.46 C ANISOU 365 C5 C B 208 1305 1469 1198 -195 -139 24 C ATOM 366 C6 C B 208 3.102 1.150 -3.197 1.00 8.92 C ANISOU 366 C6 C B 208 1080 1218 1090 -40 -218 -78 C ATOM 367 C2' C B 208 2.292 -0.426 -0.315 1.00 10.04 C ANISOU 367 C2' C B 208 1182 1432 1198 107 -454 117 C ATOM 368 C3' C B 208 3.580 0.255 0.162 1.00 12.01 C ANISOU 368 C3' C B 208 1575 1707 1281 -330 -255 340 C ATOM 369 O3' C B 208 3.969 -0.189 1.479 1.00 14.05 O ANISOU 369 O3' C B 208 1846 1848 1644 -11 -1 381 O ATOM 370 P G B 209 4.768 -1.524 1.709 1.00 17.55 P ANISOU 370 P G B 209 2104 2070 2492 -385 -412 95 P ATOM 371 O1P G B 209 5.744 -1.671 0.680 1.00 17.38 O ANISOU 371 O1P G B 209 2315 1580 2709 414 -135 194 O ATOM 372 O2P G B 209 5.134 -1.618 3.178 1.00 19.58 O ANISOU 372 O2P G B 209 2245 2754 2437 -205 -474 269 O ATOM 373 O5' G B 209 3.582 -2.582 1.407 1.00 16.33 O ANISOU 373 O5' G B 209 2067 2139 1998 -81 -386 -117 O ATOM 374 C5' G B 209 3.878 -3.673 0.687 1.00 15.12 C ANISOU 374 C5' G B 209 1783 2136 1824 229 -1077 -720 C ATOM 375 C4' G B 209 2.580 -4.432 0.331 1.00 11.55 C ANISOU 375 C4' G B 209 1544 1489 1353 54 -625 14 C ATOM 376 O4' G B 209 1.931 -3.667 -0.704 1.00 11.11 O ANISOU 376 O4' G B 209 1744 1254 1224 163 -217 -90 O ATOM 377 C1' G B 209 1.570 -4.558 -1.768 1.00 10.74 C ANISOU 377 C1' G B 209 1489 1390 1202 38 108 -247 C ATOM 378 N9 G B 209 2.257 -4.137 -2.984 1.00 8.27 N ANISOU 378 N9 G B 209 1075 1154 912 -169 110 56 N ATOM 379 C8 G B 209 3.157 -3.093 -3.148 1.00 9.54 C ANISOU 379 C8 G B 209 1379 1155 1091 -45 97 411 C ATOM 380 N7 G B 209 3.532 -2.948 -4.400 1.00 8.68 N ANISOU 380 N7 G B 209 951 1333 1013 -70 -65 -28 N ATOM 381 C5 G B 209 2.808 -3.920 -5.095 1.00 8.45 C ANISOU 381 C5 G B 209 1107 989 1112 9 76 -32 C ATOM 382 C4 G B 209 2.033 -4.640 -4.229 1.00 7.55 C ANISOU 382 C4 G B 209 825 1087 954 -208 48 -9 C ATOM 383 N3 G B 209 1.240 -5.701 -4.506 1.00 7.97 N ANISOU 383 N3 G B 209 770 1274 983 -94 -4 -123 N ATOM 384 C2 G B 209 1.227 -6.022 -5.790 1.00 8.72 C ANISOU 384 C2 G B 209 1180 1301 831 -83 -253 139 C ATOM 385 N2 G B 209 0.474 -7.053 -6.208 1.00 9.37 N ANISOU 385 N2 G B 209 1140 1233 1187 -59 -128 31 N ATOM 386 N1 G B 209 1.934 -5.320 -6.733 1.00 9.04 N ANISOU 386 N1 G B 209 1154 1122 1159 48 123 137 N ATOM 387 C6 G B 209 2.771 -4.257 -6.463 1.00 8.33 C ANISOU 387 C6 G B 209 776 1275 1111 68 -94 18 C ATOM 388 O6 G B 209 3.363 -3.685 -7.408 1.00 10.39 O ANISOU 388 O6 G B 209 1412 1333 1199 -121 160 202 O ATOM 389 C2' G B 209 1.701 -5.957 -1.308 1.00 10.18 C ANISOU 389 C2' G B 209 1244 1016 1608 -49 -290 274 C ATOM 390 C3' G B 209 2.847 -5.767 -0.294 1.00 11.87 C ANISOU 390 C3' G B 209 1800 1362 1346 -24 -292 63 C ATOM 391 O3' G B 209 2.836 -6.781 0.717 1.00 11.15 O ANISOU 391 O3' G B 209 1402 1572 1260 134 -107 73 O ATOM 392 P C B 210 3.795 -8.053 0.579 1.00 10.90 P ANISOU 392 P C B 210 1330 1460 1349 92 -54 53 P ATOM 393 O1P C B 210 3.609 -8.866 1.807 1.00 13.61 O ANISOU 393 O1P C B 210 1730 1878 1563 -104 -299 277 O ATOM 394 O2P C B 210 5.160 -7.665 0.228 1.00 12.09 O ANISOU 394 O2P C B 210 1442 1747 1404 -86 22 -112 O ATOM 395 O5' C B 210 3.269 -8.834 -0.707 1.00 10.22 O ANISOU 395 O5' C B 210 1329 1372 1181 86 -96 103 O ATOM 396 C5' C B 210 2.027 -9.492 -0.665 1.00 10.45 C ANISOU 396 C5' C B 210 1417 1409 1145 -104 -192 200 C ATOM 397 C4' C B 210 1.788 -10.228 -1.957 1.00 11.11 C ANISOU 397 C4' C B 210 1568 1474 1178 315 14 275 C ATOM 398 O4' C B 210 1.712 -9.243 -3.014 1.00 9.51 O ANISOU 398 O4' C B 210 1215 1274 1123 71 0 146 O ATOM 399 C1' C B 210 2.282 -9.802 -4.230 1.00 9.57 C ANISOU 399 C1' C B 210 1073 1413 1150 -33 453 -115 C ATOM 400 N1 C B 210 3.200 -8.807 -4.784 1.00 9.32 N ANISOU 400 N1 C B 210 1029 1275 1237 34 25 43 N ATOM 401 C2 C B 210 3.376 -8.799 -6.170 1.00 8.30 C ANISOU 401 C2 C B 210 824 1165 1164 45 -197 12 C ATOM 402 O2 C B 210 2.863 -9.675 -6.839 1.00 9.94 O ANISOU 402 O2 C B 210 1141 1377 1258 22 -189 -22 O ATOM 403 N3 C B 210 4.152 -7.849 -6.712 1.00 9.92 N ANISOU 403 N3 C B 210 1182 1101 1483 -102 -67 94 N ATOM 404 C4 C B 210 4.763 -6.929 -5.945 1.00 9.75 C ANISOU 404 C4 C B 210 1127 1329 1246 291 -115 -71 C ATOM 405 N4 C B 210 5.535 -5.991 -6.603 1.00 11.69 N ANISOU 405 N4 C B 210 1142 1619 1678 24 10 212 N ATOM 406 C5 C B 210 4.623 -6.913 -4.513 1.00 9.49 C ANISOU 406 C5 C B 210 979 1470 1155 -7 -22 0 C ATOM 407 C6 C B 210 3.834 -7.866 -3.961 1.00 9.95 C ANISOU 407 C6 C B 210 986 1183 1608 217 0 84 C ATOM 408 C2' C B 210 2.883 -11.143 -3.914 1.00 9.44 C ANISOU 408 C2' C B 210 1314 1083 1189 152 30 141 C ATOM 409 C3' C B 210 2.969 -11.123 -2.402 1.00 9.50 C ANISOU 409 C3' C B 210 1066 1183 1359 166 -12 15 C ATOM 410 O3' C B 210 2.836 -12.479 -1.936 1.00 11.30 O ANISOU 410 O3' C B 210 1312 1414 1567 73 154 209 O ATOM 411 O HOH X 301 8.027 -7.889 -16.325 1.00 33.99 O ANISOU 411 O HOH X 301 3819 4312 4784 303 543 1331 O ATOM 412 O HOH X 302 3.376 -12.657 0.657 1.00 18.30 O ANISOU 412 O HOH X 302 2697 2316 1937 432 -426 164 O ATOM 413 O HOH X 303 -3.435 5.948 -23.930 1.00 20.54 O ANISOU 413 O HOH X 303 2655 2241 2909 -353 -123 -357 O ATOM 414 O HOH X 304 -6.831 10.673 -29.475 1.00 30.86 O ANISOU 414 O HOH X 304 2882 4097 4746 -901 -766 582 O ATOM 415 O HOH X 305 -9.710 15.552 -23.555 1.00 15.69 O ANISOU 415 O HOH X 305 2410 1677 1873 312 -97 -172 O ATOM 416 O HOH X 306 -12.087 -7.025 -23.012 1.00 29.05 O ANISOU 416 O HOH X 306 4360 3897 2781 -1027 -531 290 O ATOM 417 O HOH X 307 -11.425 9.824 -14.813 1.00 22.12 O ANISOU 417 O HOH X 307 2384 3266 2755 63 -206 -701 O ATOM 418 O HOH X 308 5.447 1.231 -7.399 1.00 24.51 O ANISOU 418 O HOH X 308 2149 4141 3022 -332 878 -475 O ATOM 419 O HOH X 309 -0.248 2.469 -14.189 1.00 22.69 O ANISOU 419 O HOH X 309 3789 1769 3062 734 -372 -18 O ATOM 420 O HOH X 310 3.580 1.831 -16.668 1.00 31.27 O ANISOU 420 O HOH X 310 5703 2420 3757 -269 -51 -70 O ATOM 421 O HOH X 311 -6.070 0.598 -9.562 1.00 27.42 O ANISOU 421 O HOH X 311 4832 2174 3412 802 -2083 -533 O ATOM 422 O HOH X 312 -10.953 -4.731 -2.044 1.00 20.08 O ANISOU 422 O HOH X 312 2096 2157 3378 -376 248 134 O ATOM 423 O HOH X 313 -2.117 6.693 -21.662 1.00 21.58 O ANISOU 423 O HOH X 313 3076 2285 2835 -282 121 -428 O ATOM 424 O HOH X 314 -0.455 8.311 -4.224 1.00 28.42 O ANISOU 424 O HOH X 314 3677 3655 3465 369 423 616 O ATOM 425 O HOH X 315 -7.033 -10.565 -11.010 1.00 24.72 O ANISOU 425 O HOH X 315 2298 3401 3691 -230 836 -185 O ATOM 426 O HOH X 316 5.821 5.633 -19.524 1.00 26.30 O ANISOU 426 O HOH X 316 3036 3982 2974 394 440 60 O ATOM 427 O HOH X 317 -8.050 2.500 -15.384 1.00 35.41 O ANISOU 427 O HOH X 317 7215 3131 3106 -2313 1231 586 O ATOM 428 O HOH X 318 2.260 -11.250 2.659 1.00 22.08 O ANISOU 428 O HOH X 318 2291 2512 3586 -295 287 244 O ATOM 429 O HOH X 319 7.131 -5.860 -0.300 1.00 17.41 O ANISOU 429 O HOH X 319 1931 2470 2215 209 33 71 O ATOM 430 O HOH X 320 0.572 1.509 -11.506 1.00 31.21 O ANISOU 430 O HOH X 320 5473 4201 2184 393 -694 -638 O ATOM 431 O HOH X 321 -0.083 -0.390 -11.670 0.50 16.75 O ANISOU 431 O HOH X 321 3573 1112 1679 772 306 -261 O ATOM 432 O HOH X 322 5.748 -1.556 -5.251 1.00 14.85 O ANISOU 432 O HOH X 322 1591 1807 2243 -27 -121 334 O ATOM 433 O HOH X 323 5.271 -2.009 -8.107 1.00 22.90 O ANISOU 433 O HOH X 323 2618 3077 3005 -1290 543 332 O ATOM 434 O HOH X 324 7.068 -4.120 -4.957 1.00 21.97 O ANISOU 434 O HOH X 324 2414 3363 2570 -999 -529 121 O ATOM 435 O HOH X 325 6.198 -4.476 -2.361 1.00 17.85 O ANISOU 435 O HOH X 325 1838 2699 2241 293 -74 303 O ATOM 436 O HOH X 326 6.192 3.403 -5.685 1.00 28.20 O ANISOU 436 O HOH X 326 4934 2551 3229 40 -293 91 O ATOM 437 O HOH X 327 6.879 0.249 -3.364 1.00 18.55 O ANISOU 437 O HOH X 327 2029 2546 2474 -514 -554 45 O ATOM 438 O HOH X 328 -0.953 -4.041 -14.112 1.00 17.04 O ANISOU 438 O HOH X 328 2619 2087 1767 -90 -428 84 O ATOM 439 O HOH X 329 -1.833 -1.787 -15.553 1.00 25.16 O ANISOU 439 O HOH X 329 4133 2443 2982 303 94 447 O ATOM 440 O HOH X 330 -1.225 10.129 -9.627 1.00 21.01 O ANISOU 440 O HOH X 330 3032 2098 2851 -404 623 -214 O ATOM 441 O HOH X 331 -0.281 -2.572 -11.734 1.00 17.58 O ANISOU 441 O HOH X 331 2686 1870 2121 183 -149 284 O ATOM 442 O HOH X 332 -7.823 -1.591 -7.170 1.00 17.25 O ANISOU 442 O HOH X 332 1495 3212 1844 -146 38 332 O ATOM 443 O HOH X 333 -10.529 5.500 -8.337 1.00 22.14 O ANISOU 443 O HOH X 333 2434 2570 3407 55 234 183 O ATOM 444 O HOH X 334 -8.948 5.103 -10.817 1.00 19.73 O ANISOU 444 O HOH X 334 2325 2120 3049 -375 12 399 O ATOM 445 O HOH X 335 -4.844 1.215 -14.097 1.00 31.71 O ANISOU 445 O HOH X 335 4233 2553 5263 -849 2146 163 O ATOM 446 O HOH X 336 -2.643 -5.075 -12.352 1.00 16.13 O ANISOU 446 O HOH X 336 2419 1865 1842 83 -362 -18 O ATOM 447 O HOH X 337 -3.962 -2.773 -11.559 1.00 22.84 O ANISOU 447 O HOH X 337 3826 3010 1839 958 -308 -165 O ATOM 448 O HOH X 338 -5.578 -2.188 -18.251 1.00 21.69 O ANISOU 448 O HOH X 338 2510 3093 2638 62 -218 -127 O ATOM 449 O HOH X 339 -6.138 0.227 -17.069 1.00 18.62 O ANISOU 449 O HOH X 339 3054 2300 1719 -517 18 491 O ATOM 450 O HOH X 340 -4.166 5.188 -2.390 1.00 18.68 O ANISOU 450 O HOH X 340 2779 2337 1981 -108 80 -547 O ATOM 451 O HOH X 341 0.963 1.638 -16.532 1.00 26.64 O ANISOU 451 O HOH X 341 3467 4247 2408 505 -1222 -908 O ATOM 452 O HOH X 342 1.372 -0.863 -12.656 0.50 15.82 O ANISOU 452 O HOH X 342 2017 1337 2655 -199 -385 -688 O ATOM 453 O HOH X 343 -5.518 7.467 -24.217 1.00 17.33 O ANISOU 453 O HOH X 343 2150 2240 2194 0 231 -299 O ATOM 454 O HOH X 344 -2.039 -0.437 -10.300 1.00 24.67 O ANISOU 454 O HOH X 344 4847 2330 2196 470 500 355 O ATOM 455 O HOH X 345 -1.200 10.133 -16.000 1.00 12.78 O ANISOU 455 O HOH X 345 1414 1897 1543 199 47 -4 O ATOM 456 O HOH X 346 -11.559 11.514 -27.922 1.00 11.67 O ANISOU 456 O HOH X 346 1513 1525 1393 25 13 145 O ATOM 457 O HOH X 347 -0.736 -10.438 -8.421 1.00 13.56 O ANISOU 457 O HOH X 347 2196 1706 1248 -339 -74 270 O ATOM 458 O HOH X 348 -10.633 8.083 -16.794 1.00 17.26 O ANISOU 458 O HOH X 348 2029 2472 2056 -125 103 33 O ATOM 459 O HOH X 349 -9.248 9.817 -29.934 1.00 18.56 O ANISOU 459 O HOH X 349 2417 1720 2914 120 -132 135 O ATOM 460 O HOH X 350 -11.454 10.750 -20.316 1.00 14.62 O ANISOU 460 O HOH X 350 1597 2202 1754 -112 -44 -75 O ATOM 461 O HOH X 351 -12.508 13.163 -25.996 1.00 14.40 O ANISOU 461 O HOH X 351 1869 1555 2048 80 -338 70 O ATOM 462 O HOH X 352 7.274 -7.962 2.480 1.00 27.56 O ANISOU 462 O HOH X 352 3171 3867 3430 -782 1215 -917 O ATOM 463 O HOH X 353 -3.514 9.951 -8.071 1.00 20.36 O ANISOU 463 O HOH X 353 2736 1811 3186 -197 748 -14 O ATOM 464 O HOH X 354 -12.561 -0.192 -1.970 1.00 15.88 O ANISOU 464 O HOH X 354 1818 2300 1913 128 0 -78 O ATOM 465 O HOH X 355 3.458 2.961 -8.419 1.00 19.67 O ANISOU 465 O HOH X 355 2106 2912 2455 385 270 90 O ATOM 466 O HOH X 356 -6.700 -3.814 -10.745 1.00 21.89 O ANISOU 466 O HOH X 356 3343 3247 1727 281 -190 228 O ATOM 467 O HOH X 357 -10.030 5.555 -13.280 1.00 23.61 O ANISOU 467 O HOH X 357 2551 3603 2817 -656 402 460 O ATOM 468 O HOH X 358 -4.151 -5.824 -20.234 1.00 39.91 O ANISOU 468 O HOH X 358 3030 5423 6709 19 290 3226 O ATOM 469 O HOH X 359 -9.569 17.026 -17.519 1.00 27.21 O ANISOU 469 O HOH X 359 3660 3298 3378 -910 270 -263 O ATOM 470 O HOH X 360 2.463 -10.726 5.502 1.00 35.23 O ANISOU 470 O HOH X 360 3636 5586 4165 1168 -998 357 O ATOM 471 O HOH X 361 -6.971 -10.070 -15.039 1.00 29.47 O ANISOU 471 O HOH X 361 3785 3520 3891 159 -1951 -868 O ATOM 472 O HOH X 362 -12.412 8.276 -18.887 1.00 19.32 O ANISOU 472 O HOH X 362 2490 2414 2437 183 -113 -696 O ATOM 473 O HOH X 363 5.707 -10.249 2.758 1.00 27.86 O ANISOU 473 O HOH X 363 2916 3882 3788 1086 -111 1245 O ATOM 474 O HOH X 364 1.683 -0.852 -10.211 1.00 25.07 O ANISOU 474 O HOH X 364 5106 2102 2318 -1080 33 645 O ATOM 475 O HOH X 365 -5.625 9.129 -26.746 1.00 22.04 O ANISOU 475 O HOH X 365 2040 2516 3815 -158 -33 -355 O ATOM 476 O HOH X 366 5.163 4.877 -9.683 1.00 22.05 O ANISOU 476 O HOH X 366 2640 2934 2803 -313 41 -205 O ATOM 477 O HOH X 367 -12.611 13.888 -21.982 1.00 19.21 O ANISOU 477 O HOH X 367 2454 2347 2496 504 427 -197 O ATOM 478 O HOH X 368 -10.892 5.332 -16.757 1.00 25.19 O ANISOU 478 O HOH X 368 3480 3698 2393 -236 1108 -523 O ATOM 479 O HOH X 369 5.698 -1.771 -1.727 0.50 11.31 O ANISOU 479 O HOH X 369 772 957 2568 -157 67 138 O ATOM 480 O HOH X 370 3.543 4.607 -12.983 1.00 23.29 O ANISOU 480 O HOH X 370 2818 3017 3015 -17 422 -37 O ATOM 481 O HOH X 371 -3.065 7.820 -3.638 1.00 30.00 O ANISOU 481 O HOH X 371 4721 3626 3052 -42 -1218 -201 O ATOM 482 O HOH X 372 3.363 -2.631 -12.667 1.00 30.08 O ANISOU 482 O HOH X 372 4962 3262 3202 -575 1016 1069 O ATOM 483 O HOH X 373 -8.974 -8.294 -4.989 1.00 27.06 O ANISOU 483 O HOH X 373 3044 3112 4124 -106 -130 230 O ATOM 484 O HOH X 374 -10.070 5.350 -0.509 0.50 22.12 O ANISOU 484 O HOH X 374 4758 1947 1699 181 558 187 O ATOM 485 O HOH X 375 -7.822 6.716 -0.465 0.50 23.54 O ANISOU 485 O HOH X 375 3786 2038 3117 -520 -1094 108 O ATOM 486 O HOH X 376 7.624 -1.165 3.870 1.00 23.65 O ANISOU 486 O HOH X 376 2574 3733 2676 97 -50 225 O ATOM 487 O HOH X 377 7.493 -3.924 1.638 1.00 22.56 O ANISOU 487 O HOH X 377 1866 3324 3381 278 -1026 -220 O ATOM 488 O HOH X 378 -12.916 14.222 -19.236 1.00 24.84 O ANISOU 488 O HOH X 378 2750 3851 2837 471 -341 429 O ATOM 495 C8 SPM X 401 1.925 -1.525 -22.108 1.00 24.55 C ANISOU 495 C8 SPM X 401 3447 2554 3325 77 -647 291 C ATOM 496 C7 SPM X 401 3.375 -1.216 -22.406 1.00 23.50 C ANISOU 496 C7 SPM X 401 3261 2814 2853 -5 -256 233 C ATOM 497 C6 SPM X 401 3.622 0.006 -23.348 1.00 19.24 C ANISOU 497 C6 SPM X 401 2407 2216 2688 428 -40 78 C ATOM 498 N5 SPM X 401 2.595 1.128 -23.293 1.00 17.63 N ANISOU 498 N5 SPM X 401 2709 1592 2395 102 231 55 N ATOM 499 C4 SPM X 401 2.922 2.323 -24.091 1.00 17.38 C ANISOU 499 C4 SPM X 401 2212 1957 2434 136 -87 -175 C ATOM 500 C3 SPM X 401 1.954 3.449 -24.004 1.00 15.16 C ANISOU 500 C3 SPM X 401 2399 1865 1495 -12 50 -48 C ATOM 501 C2 SPM X 401 2.353 4.558 -24.973 1.00 16.08 C ANISOU 501 C2 SPM X 401 1817 2311 1983 -2 257 -189 C ATOM 502 N1 SPM X 401 1.453 5.725 -24.779 1.00 16.47 N ANISOU 502 N1 SPM X 401 1902 2215 2138 -69 130 89 N