NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
8276 |
1lwa   |
cing | 1-original | 3 | XPLOR/CNS | distance | NOE build-up | simple |
assign (resid 26 and name H8) (resid 25 and name H2') 41100 223980 274000 420000 495000 331000 !Direct
!RMSD: 19245.4/Vols corr: 2/V=-13.3677(t^2)+5148(t)/Target: 3.185
assign (resid 26 and name H8) (resid 25 and name H2'') 128000 296000 382000 454000 580000 520000 !Direct
!RMSD: 11981.4/V=-13.7084(t^2)+5800(t)/Target: 3.123
assign (resid 26 and name H8) (resid 26 and name H2') 1240000 2039555 2860000 3470000 4150000 2570000 !Direct
!RMSD: 42343.5/Vols corr: 2/V=-130.378(t^2)+47310(t)/Target: 2.201
assign (resid 26 and name H8) (resid 26 and name H2'') 296000 660000 929000 1360000 2180000 1510000 !Direct
!RMSD: 77252/V=-41.3415(t^2)+17876(t)/Target: 2.588
assign (resid 26 and name H8) (resid 26 and name H3') 40900 112000 189000 327000 691000 612000 !Direct
!RMSD: 37086.1/V=-5.81885(t^2)+4007.8(t)/Target: 3.321
assign (resid 26 and name H8) (resid 27 and name H5) 22600 107000 168677 231000 293000 264000 !Direct
!RMSD: 9866.66/Vols corr: 3/V=-5.95424(t^2)+2695.6(t)/Target: 3.548
assign (resid 26 and name H8) (resid 25 and name H1') -12100 41600 100000 228000 419000 382000 !Direct
!RMSD: 28639.9/V=-3.23651(t^2)+2346.4(t)/Target: 3.631
assign (resid 26 and name H8) (resid 26 and name H1') 97200 126000 216960 276000 488000 589000 !Direct
!RMSD: 7451.09/Vols corr: 3/V=-3.83732(t^2)+3180.6(t)/Target: 3.452
assign (resid 25 and name H6) (resid 24 and name H1') 53600 123000 222992 298000 458000 435000 !Direct
!RMSD: 11636.1/Vols corr: 3/V=-6.76757(t^2)+3480.8(t)/Target: 3.4
assign (resid 24 and name H6) (resid 24 and name H1') -13800 109932 157000 204000 445000 541000 !Direct
!RMSD: 17278.7/Vols corr: 2/V=-1.47105(t^2)+2272.2(t)/Target: 3.651
assign (resid 24 and name H6) (resid 25 and name H5) 33800 118000 157863 190000 353000 404000 !Direct
!RMSD: 6490.41/Vols corr: 3/V=-3.17805(t^2)+2343.2(t)/Target: 3.632
assign (resid 24 and name H6) (resid 23 and name H1') 83830 143000 244455 324000 506000 562000 !Direct
!RMSD: 6599.33/Vols corr: 1 3/V=-5.99733(t^2)+3709.2(t)/Target: 3.364
assign (resid 24 and name H6) (resid 23 and name H2'') 650000 903487 1320000 1530000 1670000 1020000 !Direct
!RMSD: 49504.7/Vols corr: 2/V=-59.4451(t^2)+21042(t)/Target: 2.519
assign (resid 24 and name H6) (resid 23 and name H2') 68800 227000 387000 421000 754000 558000 !Direct
!RMSD: 27383.7/V=-13.025(t^2)+5881.2(t)/Target: 3.115
assign (resid 24 and name H6) (resid 24 and name H2'') 54000 207000 401000 698000 1300000 868000 !Direct
!RMSD: 83473.5/V=-18.2428(t^2)+8840(t)/Target: 2.899
assign (resid 24 and name H6) (resid 24 and name H2') 1110000 1930000 2350000 2610000 2520000 1510000 !Direct
!RMSD: 147571/V=-106.626(t^2)+36540(t)/Target: 2.298
assign (resid 24 and name H6) (resid 24 and name H7*) 659000 1200000 1700000 2118015 2870000 2200000 !Direct
!RMSD: 9240.38/Vols corr: 4/V=-69.4584(t^2)+28126(t)/Target: 2.4
assign (resid 24 and name H6) (resid 24 and name H4') 29000 29280 35200 50100 116000 183000 !Direct
!RMSD: 4043.05/Vols corr: 2/V=0(t^2)+585.6(t)/Target: 4.576
assign (resid 23 and name H8) (resid 23 and name H1') 52500 66700 137000 222000 468000 473000 !Direct
!RMSD: 21122.4/V=-3.43875(t^2)+2648.8(t)/Target: 3.559
assign ((resid 23 and name H8) or (resid 22 and name H8)) (resid 22 and name H1') 170000 532000 598000 869000 1530000 1380000 !Direct
!RMSD: 45374/V=-21.0278(t^2)+11016(t)/Target: 2.806
assign (resid 8 and name H6) (resid 7 and name H1') 77300 234000 276000 346357 566000 698000 !Direct
!RMSD: 10514.8/Vols corr: 4/V=-5.84825(t^2)+4048.4(t)/Target: 3.316
assign (resid 8 and name H6) (resid 8 and name H1') 83952 120000 175000 279000 599000 577000 !Direct
!RMSD: 25387.1/Vols corr: 1/V=-4.64371(t^2)+3474.2(t)/Target: 3.401
assign (resid 8 and name H6) (resid 8 and name H3') 80300 97800 147000 263000 459000 375000 !Direct
!RMSD: 21066.9/V=-6.09746(t^2)+3213(t)/Target: 3.446
assign (resid 8 and name H6) ((resid 8 and name H4') or (resid 8 and name H5'')) 35600 131000 277000 385000 864000 850000 !Direct
!RMSD: 41082.2/V=-5.5771(t^2)+4665.6(t)/Target: 3.238
assign (resid 8 and name H6) (resid 8 and name H2') 2670000 4620000 5400000 6130000 5940000 3000000 !Direct
!RMSD: 322774/V=-264.92(t^2)+88272(t)/Target: 1.899
assign (resid 8 and name H6) (resid 7 and name H2'') 718000 1190000 1570000 1710000 2000000 1110000 !Direct
!RMSD: 53036.4/V=-70.7107(t^2)+24800(t)/Target: 2.451
assign (resid 8 and name H6) (resid 7 and name H2') 73000 344000 433000 662000 1160000 745000 !Direct
!RMSD: 57606.5/V=-20.4636(t^2)+8816(t)/Target: 2.899
assign (resid 7 and name H8) (resid 7 and name H1') 67200 83000 146000 221000 465000 473000 !Direct
!RMSD: 18247.4/V=-3.43875(t^2)+2648.8(t)/Target: 3.559
assign (resid 7 and name H8) (resid 6 and name H1') 168000 285000 434000 647000 1090000 877000 !Direct
!RMSD: 37390.1/V=-16.7045(t^2)+8066(t)/Target: 2.899
assign (resid 7 and name H8) ((resid 7 and name H3') or (resid 6 and name H3')) 124000 193000 348000 618000 1180000 1090000 !Direct
!RMSD: 55798.7/V=-10.8628(t^2)+7080(t)/Target: 3.021
assign (resid 7 and name H8) (resid 7 and name H5'*) 101000 173000 359000 422387 660000 620000 !Direct
!RMSD: 15686.5/Vols corr: 4/V=-10.5612(t^2)+5280(t)/Target: 3.172
assign (resid 8 and name H6) (resid 8 and name H7*) 1090000 2150000 2960000 3680000 5040000 3590000 !Direct
!RMSD: 35265.2/V=-123.475(t^2)+49392(t)/Target: 2.185
assign (resid 7 and name H8) (resid 8 and name H7*) 306000 614000 842000 1110000 1700000 1390000 !Direct
!RMSD: 27419/V=-32.596(t^2)+14620(t)/Target: 2.677
assign (resid 7 and name H8) (resid 7 and name H2'') 190000 448000 715000 951000 1520000 1120000 !Direct
!RMSD: 47337.2/V=-28.3563(t^2)+12464(t)/Target: 2.749
assign (resid 7 and name H8) (resid 6 and name H2'') 578763 1071853 1479271 1800000 2220000 1290000 !Direct
!RMSD: 2266.31/Vols corr: 1 2 3/V=-68.5385(t^2)+24864(t)/Target: 2.45
assign (resid 6 and name H8) (resid 6 and name H1') 65800 101000 157000 178360 248000 241000 !Direct
!RMSD: 4194.26/Vols corr: 4/V=-4.97996(t^2)+2281.6(t)/Target: 3.648
assign (resid 14 and name H8) (resid 14 and name H1') 62400 101835 154000 201000 346000 465000 !Direct
!RMSD: 3111.55/Vols corr: 2/V=-2.04573(t^2)+2139(t)/Target: 3.688
assign (resid 14 and name H8) (resid 13 and name H1') 64600 112442 145000 188000 321000 290000 !Direct
!RMSD: 6152.51/Vols corr: 2/V=-5.09912(t^2)+2503.8(t)/Target: 3.592
assign (resid 13 and name H6) (resid 13 and name H1') 36200 102000 136517 165000 300000 314000 !Direct
!RMSD: 5401.19/Vols corr: 3/V=-3.36214(t^2)+2072.4(t)/Target: 3.707
assign (resid 13 and name H6) (resid 13 and name H5) 377000 1020000 1210000 1650000 2220000 1790000 !Direct
!RMSD: 37034.4/V=-49.1689(t^2)+20868(t)/Target: 2.523
assign (resid 30 and name H6) (resid 30 and name H3') 127000 247000 308000 445000 784000 681000 !Direct
!RMSD: 22128.6/V=-11.5107(t^2)+5801.6(t)/Target: 3.123
assign (resid 15 and name H8) ((resid 15 and name H1') or (resid 14 and name H1')) 110000 153000 283526 331000 597000 555000 !Direct
!RMSD: 15160.4/Vols corr: 3/V=-8.49924(t^2)+4417.8(t)/Target: 3.268
assign (resid 11 and name H6) (resid 11 and name H1') 70789 159000 169000 211000 461000 449000 !Direct
!RMSD: 15907.7/Vols corr: 1/V=-4.75279(t^2)+2950.4(t)/Target: 3.495
assign (resid 11 and name H6) (resid 10 and name H1') 33400 262000 272000 402000 690000 601000 !Direct
!RMSD: 26481.8/V=-9.96795(t^2)+5106(t)/Target: 3.19
assign (resid 10 and name H8) (resid 9 and name H1') 172000 151000 277000 404000 680000 418000 !Direct
!RMSD: 33490.5/V=-13.1939(t^2)+5440(t)/Target: 3.156
assign (resid 9 and name H6) (resid 9 and name H1') 71700 254000 533000 575000 1150000 1110000 !Direct
!RMSD: 42905.2/V=-11.7962(t^2)+7360(t)/Target: 3.001
assign (resid 9 and name H6) (resid 8 and name H1') 58500 266000 541000 548000 1150000 1120000 !Direct
!RMSD: 44868.4/V=-11.7962(t^2)+7360(t)/Target: 3.001
assign (resid 5 and name H6) (resid 5 and name H1') -43000 -2480 105000 163000 403000 533000 !Direct
!RMSD: 27935.6/V=0(t^2)+1812.2(t)/Target: 3.791
assign (resid 5 and name H6) (resid 4 and name H1') 35100 61900 67300 109000 347000 330000 !Direct
!RMSD: 21133.6/V=-1.17813(t^2)+1526.8(t)/Target: 3.899
assign (resid 4 and name H8) (resid 4 and name H1') 22000 72700 138000 260000 370000 332000 !Direct
!RMSD: 18872.2/V=-4.86621(t^2)+2664(t)/Target: 3.555
assign (resid 2 and name H8) ((resid 2 and name H1') or (resid 1 and name H1')) 116000 168000 197000 278217 378000 266000 !Direct
!RMSD: 8928.87/Vols corr: 4/V=-9.22226(t^2)+3704.4(t)/Target: 3.365
assign (resid 30 and name H6) (resid 30 and name H5) 348483 755000 987779 1240000 1750000 1650000 !Direct
!RMSD: 13436.5/Vols corr: 1 3/V=-34.3948(t^2)+15750(t)/Target: 2.644
assign (resid 30 and name H6) (resid 30 and name H1') 52400 47100 115000 148000 209000 331000 !Direct
!RMSD: 9529.81/V=-1.15065(t^2)+1390.2(t)/Target: 3.899
assign (resid 29 and name H6) (resid 29 and name H5) 581797 1130000 1470000 1850000 2690000 2110000 !Direct
!RMSD: 25417/Vols corr: 1/V=-59.0444(t^2)+24748(t)/Target: 2.452
assign (resid 29 and name H6) (resid 28 and name H1') 20800 123000 124000 227000 382000 251000 !Direct
!RMSD: 20601.8/V=-6.79868(t^2)+2979.6(t)/Target: 3.489
assign (resid 29 and name H6) (resid 29 and name H1') 91970 181000 239075 293000 505000 599000 !Direct
!RMSD: 4376.76/Vols corr: 1 3/V=-5.41766(t^2)+3594(t)/Target: 3.382
assign (resid 28 and name H6) (resid 28 and name H5) 515894 944053 1270000 1610000 2160000 1540000 !Direct
!RMSD: 13297.9/Vols corr: 1 2/V=-54.3787(t^2)+21600(t)/Target: 2.508
assign (resid 28 and name H6) (resid 28 and name H1') 79000 89600 140000 249000 438000 343000 !Direct
!RMSD: 21207.4/V=-5.95634(t^2)+3066(t)/Target: 3.473
assign (resid 27 and name H6) (resid 27 and name H5) 783199 1430000 2050000 2494393 3280000 2400000 !Direct
!RMSD: 8725.89/Vols corr: 1 4/V=-85.1206(t^2)+33456(t)/Target: 2.332
assign (resid 27 and name H6) (resid 27 and name H1') 12700 101962 138000 209000 323000 417000 !Direct
!RMSD: 9105.13/Vols corr: 2/V=-2.58302(t^2)+2168.4(t)/Target: 3.679
assign (resid 27 and name H6) (resid 26 and name H1') 85910 140000 233000 266000 515000 543000 !Direct
!RMSD: 10740.1/Vols corr: 1/V=-5.89508(t^2)+3583.8(t)/Target: 3.384
assign (resid 21 and name H6) (resid 21 and name H5) 526000 1080000 1690000 2010000 2710000 2180000 !Direct
!RMSD: 28920.4/V=-62.5559(t^2)+26016(t)/Target: 2.432
assign (resid 21 and name H6) (resid 21 and name H1') 3140 55900 99500 191000 310000 347000 !Direct
!RMSD: 14409.7/V=-2.35627(t^2)+1873.8(t)/Target: 3.77
assign (resid 21 and name H6) (resid 20 and name H1') 45498 102971 158571 195000 352000 421000 !Direct
!RMSD: 3915.24/Vols corr: 1 2 3/V=-3.24423(t^2)+2357.6(t)/Target: 3.628
assign (resid 20 and name H8) (resid 20 and name H1') 2600 10800 29600 143000 286000 305000 !Direct
!RMSD: 21402.3/V=0(t^2)+1098(t)/Target: 4.121
assign (resid 20 and name H8) (resid 21 and name H5) 83900 106000 140695 158000 258000 257000 !Direct
!RMSD: 7395.09/Vols corr: 3/V=-4.57143(t^2)+2218.8(t)/Target: 3.665
assign (resid 20 and name H8) (resid 19 and name H1') 25900 138000 161000 248000 397000 325000 !Direct
!RMSD: 14579.6/V=-6.30079(t^2)+3017.2(t)/Target: 3.482
assign (resid 11 and name H6) (resid 11 and name H3') -1930 92100 126000 236000 370000 356000 !Direct
!RMSD: 18162/V=-4.25793(t^2)+2516(t)/Target: 3.589
assign (resid 27 and name H6) (resid 27 and name H3') 17500 75100 131407 180000 258000 303000 !Direct
!RMSD: 7668.28/Vols corr: 3/V=-3.30273(t^2)+1999.8(t)/Target: 3.729
assign (resid 27 and name H6) (resid 27 and name H4') 55500 42000 77200 124000 245000 302000 !Direct
!RMSD: 8511.29/V=-1.09909(t^2)+1328.8(t)/Target: 3.899
assign (resid 5 and name H6) (resid 5 and name H3') 29600 58600 81500 207000 334000 256000 !Direct
!RMSD: 21263.2/V=-4.04549(t^2)+2137.6(t)/Target: 3.688
assign (resid 9 and name H6) (resid 9 and name H3') 97900 195000 293000 417000 814000 699000 !Direct
!RMSD: 31826.2/V=-9.02219(t^2)+5209.6(t)/Target: 3.179
assign (resid 12 and name H6) (resid 12 and name H3') 153000 252000 352000 588000 1070000 968000 !Direct
!RMSD: 40836.6/V=-12.4129(t^2)+7062(t)/Target: 3.022
assign (resid 16 and name H6) ((resid 16 and name H5) or (resid 16 and name H1')) 457000 1060000 1730000 2210000 3480000 3090000 !Direct
!RMSD: 72488.3/V=-57.8298(t^2)+27840(t)/Target: 2.404
assign (resid 29 and name H6) (resid 29 and name H3') 15400 70300 114000 136000 300000 236000 !Direct
!RMSD: 14906.8/V=-3.83406(t^2)+1980(t)/Target: 3.735
assign (resid 17 and name H6) (resid 17 and name H1') 45600 149000 227000 286000 497000 483000 !Direct
!RMSD: 11839.9/V=-6.34484(t^2)+3578.4(t)/Target: 3.384
assign (resid 17 and name H6) ((resid 16 and name H1') or (resid 16 and name H5)) -28600 -6130 83600 119000 225000 239000 !Direct
!RMSD: 18591.9/V=-0.977753(t^2)+1147.2(t)/Target: 4.091
assign (resid 16 and name H6) (resid 17 and name H7*) 50500 164000 264000 458000 720000 715000 !Direct
!RMSD: 27599.3/V=-8.48528(t^2)+5040(t)/Target: 3.197
assign (resid 17 and name H6) (resid 17 and name H7*) 570000 1250000 1650000 2250000 3180000 2100000 !Direct
!RMSD: 64688.6/V=-74.8967(t^2)+29892(t)/Target: 2.376
assign (resid 6 and name H8) (resid 5 and name H2') 43200 62278 92000 117000 108000 67800 !Direct
!RMSD: 4998.83/Vols corr: 2/V=-4.10463(t^2)+1450.8(t)/Target: 3.899
assign (resid 21 and name H6) (resid 21 and name H2') 943000 1800000 2280000 2550000 2730000 1430000 !Direct
!RMSD: 86352.3/V=-107.398(t^2)+36582(t)/Target: 2.297
assign (resid 8 and name H6) (resid 9 and name H7*) 317000 605000 851000 1110000 1840000 1360000 !Direct
!RMSD: 49960.5/V=-33.9116(t^2)+15088(t)/Target: 2.663
assign (resid 5 and name H6) (resid 5 and name H2'') -30000 250000 516000 763000 1540000 1040000 !Direct
(???) !RMSD: 103663/V=-19.8555(t^2)+9856(t)/Target: 2.859
assign (resid 5 and name H6) (resid 4 and name H2'') 370000 695000 912000 1090000 1320000 932000 !Direct
(???) !RMSD: 19674.5/V=-39.063(t^2)+14784(t)/Target: 2.672
assign (resid 21 and name H6) (resid 21 and name H2'') 37000 100000 188000 272000 547000 508000 !Direct
!RMSD: 24042.1/V=-5.17716(t^2)+3391.4(t)/Target: 3.415
assign (resid 8 and name H6) (resid 7 and name H3') -13400 103000 113000 231000 594000 602000 !Direct
!RMSD: 35696.6/V=-1.55177(t^2)+2648.8(t)/Target: 3.559
assign (resid 21 and name H6) (resid 20 and name H2') 379000 714772 967000 1200000 1500000 950000 !Direct
!RMSD: 10879.8/Vols corr: 2/V=-44.0908(t^2)+16500(t)/Target: 2.623
assign (resid 9 and name H6) (resid 9 and name H7*) 671000 1370000 1906461 2342597 3140000 2270000 !Direct
!RMSD: 17072.5/Vols corr: 3 4/V=-79.7402(t^2)+31400(t)/Target: 2.356
assign (resid 9 and name H6) (resid 8 and name H2') 370000 703000 907000 1096115 1310000 769000 !Direct
!RMSD: 13298.2/Vols corr: 4/V=-42.3484(t^2)+15196(t)/Target: 2.66
assign (resid 9 and name H6) (resid 9 and name H2') 1680000 2800000 3360000 3840000 3630000 1960000 !Direct
!RMSD: 208024/V=-160.687(t^2)+53760(t)/Target: 2.154
assign (resid 27 and name H6) (resid 27 and name H2'') 25300 188000 316000 551000 1130000 809000 !Direct
!RMSD: 73127.7/V=-13.8192(t^2)+7232(t)/Target: 3.01
assign (resid 27 and name H6) (resid 26 and name H2'') 386299 704486 985000 1200000 1430000 900000 !Direct
!RMSD: 12742.4/Vols corr: 1 2/V=-44.2456(t^2)+16302(t)/Target: 2.629
assign (resid 27 and name H6) (resid 26 and name H2') 255000 472000 672489 825537 1110000 765000 !Direct
!RMSD: 6205.06/Vols corr: 3 4/V=-28.4463(t^2)+11100(t)/Target: 2.802
assign (resid 11 and name H6) (resid 11 and name H7*) 608000 1160000 1600000 2170000 2910000 2160000 !Direct
!RMSD: 35547.9/V=-68.2349(t^2)+27936(t)/Target: 2.403
assign (resid 11 and name H6) (resid 12 and name H7*) 295000 525000 789000 1100000 1660000 1340000 !Direct
!RMSD: 36096.6/V=-30.9218(t^2)+13944(t)/Target: 2.698
assign (resid 11 and name H6) (resid 11 and name H2') 1510000 2500000 2960000 3460000 3360000 1920000 !Direct
!RMSD: 178579/V=-143.228(t^2)+48440(t)/Target: 2.192
assign (resid 11 and name H6) (resid 11 and name H2'') 188000 433000 690000 1010000 1820000 1240000 !Direct
!RMSD: 85942.9/V=-29.6796(t^2)+13468(t)/Target: 2.714
assign (resid 11 and name H6) (resid 10 and name H2') 148000 316000 484000 726000 1260000 884000 !Direct
!RMSD: 54931.4/V=-21.3274(t^2)+9576(t)/Target: 2.872
assign (resid 11 and name H6) (resid 10 and name H2'') 446000 787000 904000 1150000 1250000 832000 !Direct
!RMSD: 42196.4/V=-43.6033(t^2)+15750(t)/Target: 2.644
assign (resid 10 and name H8) (resid 11 and name H7*) 105000 340826 506000 584000 870000 786000 !Direct
!RMSD: 16426.6/Vols corr: 2/V=-16.7893(t^2)+7656(t)/Target: 2.899
assign (resid 10 and name H8) (resid 9 and name H2') 183000 478000 710325 903000 1210000 901000 !Direct
!RMSD: 20774.8/Vols corr: 3/V=-28.6(t^2)+11616(t)/Target: 2.781
assign (resid 10 and name H8) (resid 10 and name H2'') 225000 570000 743000 1140000 1510000 1050000 !Direct
!RMSD: 41869.9/V=-34.407(t^2)+13892(t)/Target: 2.7
assign (resid 12 and name H6) (resid 12 and name H7*) 660000 1280000 1770000 2230000 3090000 2260000 !Direct
!RMSD: 24803.2/V=-73.8293(t^2)+29664(t)/Target: 2.379
assign (resid 12 and name H6) (resid 12 and name H2'') 80000 494000 917000 1230000 1990000 1210000 !Direct
!RMSD: 101954/V=-39.4989(t^2)+16318(t)/Target: 2.628
assign (resid 13 and name H6) (resid 13 and name H2') 964000 1690000 2060000 2550000 2690000 1410000 !Direct
!RMSD: 71479.1/V=-101.688(t^2)+34970(t)/Target: 2.315
assign (resid 14 and name H8) (resid 13 and name H2'') 11700 91800 122508 143000 241000 216000 !Direct
!RMSD: 7831.05/Vols corr: 3/V=-3.92734(t^2)+1928(t)/Target: 3.752
assign (resid 13 and name H6) (resid 13 and name H2'') 525000 989000 1440000 1920000 2710000 1930000 !Direct
!RMSD: 46394.5/V=-60.9097(t^2)+24932(t)/Target: 2.449
assign (resid 14 and name H8) (resid 13 and name H2') 25700 70654 101000 117000 174000 145000 !Direct
!RMSD: 2837.54/Vols corr: 2/V=-3.7542(t^2)+1600.8(t)/Target: 3.87
assign (resid 14 and name H8) (resid 14 and name H2') 1580000 2790000 3580000 4380000 5280000 3340000 !Direct
!RMSD: 69068.1/V=-165.443(t^2)+60192(t)/Target: 2.114
assign (resid 14 and name H8) (resid 14 and name H2'') 232000 689000 966000 1360000 2200000 1560000 !Direct
!RMSD: 77643/V=-41.5307(t^2)+18040(t)/Target: 2.585
assign (resid 15 and name H8) (resid 14 and name H2') 182000 372000 467000 603250 777000 500000 !Direct
!RMSD: 7303.95/Vols corr: 4/V=-22.0369(t^2)+8236.2(t)/Target: 2.899
assign (resid 15 and name H8) (resid 14 and name H2'') 105000 157000 186000 261000 339000 329000 !Direct
!RMSD: 8500.47/V=-6.98684(t^2)+3186.6(t)/Target: 3.451
assign (resid 15 and name H8) (resid 15 and name H2') 452821 859000 1190000 1448817 1830000 1200000 !Direct
!RMSD: 4956.72/Vols corr: 1 4/V=-52.7582(t^2)+19764(t)/Target: 2.546
assign (resid 15 and name H8) (resid 15 and name H2'') 38200 166000 301956 382000 574000 489000 !Direct
!RMSD: 19273.1/Vols corr: 3/V=-10.6068(t^2)+4821.6(t)/Target: 3.22
assign (resid 23 and name H8) (resid 24 and name H7*) 290000 538000 806000 1100000 1640000 1340000 !Direct
!RMSD: 31174.3/V=-30.735(t^2)+13776(t)/Target: 2.703
assign (resid 23 and name H8) (resid 23 and name H2') 1030000 1870000 2360000 2760000 3160000 1820000 !Direct
!RMSD: 67704.2/V=-111.991(t^2)+39184(t)/Target: 2.271
assign (resid 22 and name H8) (resid 21 and name H2'') 136497 256000 340700 433640 561000 401000 !Direct
!RMSD: 2885.01/Vols corr: 1 3 4/V=-14.98(t^2)+5834.4(t)/Target: 3.12
assign (resid 22 and name H8) (resid 21 and name H2') 112000 199989 289773 369230 496000 353000 !Direct
!RMSD: 4732.47/Vols corr: 2 3 4/V=-12.6769(t^2)+4960(t)/Target: 3.205
assign (resid 20 and name H8) (resid 20 and name H2') 546000 828000 1180000 1290000 1400000 898000 !Direct
!RMSD: 52038.6/V=-50.8783(t^2)+17920(t)/Target: 2.587
assign (resid 20 and name H8) (resid 20 and name H2'') 125000 203000 369000 526000 839000 618000 !Direct
!RMSD: 31400.3/V=-14.6555(t^2)+6544.2(t)/Target: 3.061
assign (resid 20 and name H8) (resid 19 and name H2'') 264000 477000 624000 788314 1020000 597000 !Direct
!RMSD: 8221.13/Vols corr: 4/V=-29.2886(t^2)+10812(t)/Target: 2.815
assign (resid 20 and name H8) (resid 19 and name H2') 125000 344000 421000 568000 739000 425000 !Direct
!RMSD: 15437.6/V=-20.6316(t^2)+7685.6(t)/Target: 2.899
assign (resid 19 and name H8) (resid 19 and name H1') 149000 378000 505000 712000 1160000 1140000 !Direct
!RMSD: 22824.8/V=-16.1555(t^2)+8816(t)/Target: 2.899
assign (resid 19 and name H8) (resid 18 and name H1') 84000 189073 282418 342000 578000 543000 !Direct
!RMSD: 9692.61/Vols corr: 2 3/V=-8.36289(t^2)+4392.8(t)/Target: 3.271
assign (resid 19 and name H8) (resid 19 and name H3') 37300 89000 161000 249000 596000 504000 !Direct
!RMSD: 34550.4/V=-4.63206(t^2)+3218.4(t)/Target: 3.445
assign (resid 29 and name H6) (resid 28 and name H2') 314000 655000 876694 1110000 1270000 797000 !Direct
!RMSD: 16411.7/Vols corr: 3/V=-40.5699(t^2)+14732(t)/Target: 2.673
assign (resid 29 and name H6) (resid 29 and name H2') 770000 1280000 1640000 2200000 2550000 1610000 !Direct
!RMSD: 38248.5/V=-79.8436(t^2)+29070(t)/Target: 2.387
assign (resid 28 and name H6) (resid 28 and name H2') 600000 1060000 1460000 1730000 2020000 1150000 !Direct
!RMSD: 21577/V=-66.7996(t^2)+23836(t)/Target: 2.467
assign (resid 4 and name H8) (resid 4 and name H2'') 147911 278000 393000 455429 585000 462000 !Direct
!RMSD: 7130.71/Vols corr: 1 4/V=-15.2971(t^2)+6084(t)/Target: 3.098
assign (resid 4 and name H8) (resid 3 and name H2') 53900 61900 109000 124000 126000 71100 !Direct
!RMSD: 5463.8/V=-4.96951(t^2)+1713.6(t)/Target: 3.826
assign (resid 6 and name H8) (resid 5 and name H2'') 81000 308000 320000 507000 683000 356000 !Direct
(???) !RMSD: 26892.7/V=-18.1816(t^2)+6693.4(t)/Target: 3.049
assign (resid 6 and name H8) (resid 6 and name H2'') 182000 469000 638000 990000 1340000 867000 !Direct
!RMSD: 44352.5/V=-31.2548(t^2)+12328(t)/Target: 2.754
assign (resid 4 and name H8) (resid 5 and name H7*) 52900 138000 165000 219000 327000 290000 !Direct
!RMSD: 5132.76/V=-6.29023(t^2)+2877.6(t)/Target: 3.51
assign (resid 18 and name H8) (resid 17 and name H2'') 22060 41622 63471 78300 111000 95400 !Direct
!RMSD: 859.051/Vols corr: 1 2 3/V=-2.33217(t^2)+1021.2(t)/Target: 4.171
assign (resid 18 and name H8) (resid 17 and name H2') 51671 93934 133000 162539 205000 129000 !Direct
!RMSD: 1258.43/Vols corr: 1 2 4/V=-5.886(t^2)+2214(t)/Target: 3.666
assign (resid 17 and name H6) (resid 17 and name H2'') 143000 324000 597000 758000 1260000 957000 !Direct
!RMSD: 44005/V=-22.4499(t^2)+10080(t)/Target: 2.848
assign (resid 16 and name H6) (resid 16 and name H2') 389000 640000 931810 1170000 1530000 1170000 !Direct
!RMSD: 11497.6/Vols corr: 3/V=-38.3449(t^2)+15300(t)/Target: 2.656
assign (resid 10 and name H8) (resid 10 and name H3') 70000 137000 171000 236000 573000 505000 !Direct
!RMSD: 27433.9/V=-5.29877(t^2)+3438(t)/Target: 3.407
assign (resid 16 and name H6) (resid 16 and name H5'*) 95600 178000 282158 356000 554000 501000 !Direct
!RMSD: 8438.37/Vols corr: 3/V=-8.93174(t^2)+4432(t)/Target: 3.266
assign (resid 7 and name H3') (resid 8 and name H7*) 168000 237000 390000 454000 989000 1040000 !Direct
!RMSD: 28574.1/V=-8.15843(t^2)+6032(t)/Target: 3.102
assign (resid 10 and name H1') (resid 11 and name H7*) 131000 265975 434615 564000 994000 1260000 !Direct
!RMSD: 9198.22/Vols corr: 2 3/V=-6.73498(t^2)+6300(t)/Target: 3.08
assign (resid 10 and name H3') (resid 11 and name H7*) 67100 278000 378000 531000 1060000 914000 !Direct
!RMSD: 44277.4/V=-12.3548(t^2)+6996(t)/Target: 3.027
assign (resid 4 and name H3') (resid 5 and name H7*) 57300 188000 260000 331766 501000 402000 !Direct
!RMSD: 11472.3/Vols corr: 4/V=-9.90939(t^2)+4308.6(t)/Target: 3.281
assign (resid 7 and name H1') (resid 7 and name H2'') 1130000 1920000 2320000 2860000 3290000 2060000 !Direct
!RMSD: 78465/V=-107.016(t^2)+38822(t)/Target: 2.275
assign (resid 7 and name H1') (resid 7 and name H2') 226000 428000 720000 943000 1640000 1320000 !Direct
!RMSD: 53583.6/V=-25.6125(t^2)+12464(t)/Target: 2.749
assign (resid 6 and name H1') (resid 6 and name H2'') 913000 1560000 2040000 2400000 3080000 2170000 !Direct
!RMSD: 43677/V=-87.7496(t^2)+33264(t)/Target: 2.334
assign (resid 5 and name H1') (resid 5 and name H2') 210000 369000 637000 836000 1490000 1200000 !Direct
!RMSD: 52299.8/V=-21.9718(t^2)+10728(t)/Target: 2.818
assign (resid 5 and name H1') (resid 5 and name H2'') 995000 1860000 2469377 3010000 3760000 2340000 !Direct
!RMSD: 19415.1/Vols corr: 3/V=-112.466(t^2)+41360(t)/Target: 2.251
assign (resid 13 and name H1') (resid 13 and name H2') 59800 171000 195000 250000 538000 550000 !Direct
!RMSD: 17068.1/V=-5.19134(t^2)+3410(t)/Target: 3.412
assign (resid 21 and name H1') (resid 21 and name H2') 293000 504000 773000 956254 1390000 1090000 !Direct
!RMSD: 16590/Vols corr: 4/V=-29.4746(t^2)+12510(t)/Target: 2.747
assign (resid 25 and name H1') (resid 25 and name H2'') 884000 1560000 2168394 2672390 3620000 2770000 !Direct
!RMSD: 11631.6/Vols corr: 3 4/V=-87.521(t^2)+35476(t)/Target: 2.309
assign (resid 18 and name H1') (resid 18 and name H2'') 524000 986000 1400000 1690000 2390000 1820000 !Direct
!RMSD: 16434.9/V=-55.6546(t^2)+22944(t)/Target: 2.483
assign (resid 9 and name H1') (resid 9 and name H2') 206000 843000 1300000 1840000 3080000 2470000 !Direct
!RMSD: 117443/V=-49.1398(t^2)+23408(t)/Target: 2.475
assign (resid 8 and name H1') (resid 8 and name H2') 233000 539000 817000 1320000 1980000 1500000 !Direct
!RMSD: 74889.6/V=-35.1781(t^2)+15840(t)/Target: 2.641
assign (resid 28 and name H1') (resid 28 and name H2') 98200 574000 933000 1160000 1960000 1430000 !Direct
!RMSD: 79998.2/V=-35(t^2)+15680(t)/Target: 2.646
assign (resid 24 and name H1') (resid 24 and name H2') 231000 572000 910000 1290000 2050000 1470000 !Direct
!RMSD: 74302.3/V=-37.2263(t^2)+16400(t)/Target: 2.626
assign (resid 3 and name H1') (resid 3 and name H2') 185000 415000 592000 909000 1430000 1010000 !Direct
!RMSD: 53252.9/V=-26.3082(t^2)+11440(t)/Target: 2.788
assign (resid 3 and name H1') (resid 3 and name H2'') 668000 1260000 1790000 2260000 2950000 2080000 !Direct
!RMSD: 15691.8/V=-77.29(t^2)+30090(t)/Target: 2.373
assign (resid 14 and name H1') (resid 14 and name H2') 533000 1170000 1730000 2240000 3380000 2250000 !Direct
!RMSD: 85510.1/V=-75.3776(t^2)+30420(t)/Target: 2.369
assign (resid 14 and name H1') (resid 14 and name H2'') 790000 1440008 1970000 2440000 3190000 2050000 !Direct
!RMSD: 13681.9/Vols corr: 2/V=-87.5168(t^2)+33176(t)/Target: 2.335
assign (resid 26 and name H1') (resid 26 and name H2') 275000 837000 1280000 1720000 2900000 2190000 !Direct
!RMSD: 102847/V=-49.3852(t^2)+22620(t)/Target: 2.489
assign (resid 20 and name H1') (resid 20 and name H2'') 808000 1410000 1870000 2350000 2930000 1810000 !Direct
!RMSD: 17030.5/V=-87.2979(t^2)+32230(t)/Target: 2.346
assign (resid 23 and name H1') (resid 23 and name H2') 518000 1080000 1670000 2180000 3360000 2370000 !Direct
!RMSD: 89983.4/V=-71.4882(t^2)+29568(t)/Target: 2.38
assign (resid 23 and name H1') (resid 23 and name H2'') 1890000 3160000 3910000 4850000 5720000 3790000 !Direct
!RMSD: 117862/V=-176.982(t^2)+65208(t)/Target: 2.086
assign (resid 12 and name H1') (resid 12 and name H2') 254000 716000 1100000 1550000 2710000 1980000 !Direct
!RMSD: 111604/V=-42.8014(t^2)+20054(t)/Target: 2.539
assign (resid 11 and name H1') (resid 11 and name H2'') 1560000 2850000 4148468 5110000 6740000 4430000 !Direct
!RMSD: 45546.2/Vols corr: 3/V=-179.134(t^2)+68748(t)/Target: 2.068
assign (resid 10 and name H1') (resid 10 and name H2') 343000 878000 1320000 1830000 2980000 1940000 !Direct
!RMSD: 115141/V=-60.4194(t^2)+25032(t)/Target: 2.447
assign (resid 10 and name H1') (resid 10 and name H2'') 997000 1761757 2440000 2960000 3640000 2300000 !Direct
!RMSD: 20768.9/Vols corr: 2/V=-110.657(t^2)+40768(t)/Target: 2.256
assign (resid 4 and name H1') (resid 4 and name H2') 467000 828000 1130000 1540000 2280000 1490000 !Direct
!RMSD: 53760.8/V=-52.8488(t^2)+20976(t)/Target: 2.52
assign (resid 4 and name H1') (resid 4 and name H2'') 803000 1600000 2110000 2580000 3510000 2300000 !Direct
!RMSD: 27456.5/V=-93.675(t^2)+35802(t)/Target: 2.305
assign ((resid 16 and name H1') or (resid 16 and name H5)) (resid 17 and name H7*) 49500 125000 199000 258000 557000 648000 !Direct
!RMSD: 14676.7/V=-2.41495(t^2)+2980.8(t)/Target: 3.489
assign (resid 16 and name H3') (resid 17 and name H7*) 164000 360000 549774 655000 951000 734000 !Direct
!RMSD: 13519.8/Vols corr: 3/V=-21.4542(t^2)+8939.4(t)/Target: 2.899
assign (resid 8 and name H1') (resid 9 and name H7*) 6590 49000 86800 160000 367000 597000 !Direct
!RMSD: 18772.5/V=0(t^2)+1910.4(t)/Target: 3.758
assign (resid 8 and name H3') (resid 9 and name H7*) 33100 79700 269000 320000 808000 731000 !Direct
!RMSD: 47470.4/V=-5.39333(t^2)+4201.6(t)/Target: 3.295
assign (resid 13 and name H5) (resid 12 and name H2') 21100 91100 151000 156000 347000 338000 !Direct
!RMSD: 12934/V=-3.5344(t^2)+2220.8(t)/Target: 3.665
assign (resid 13 and name H5) (resid 13 and name H2') 54100 230000 304000 447000 834000 735000 !Direct
!RMSD: 32385.5/V=-10.0456(t^2)+5671.2(t)/Target: 3.134
assign (resid 30 and name H6) (resid 29 and name H2'') 137000 229000 363000 463000 652000 366000 !Direct
!RMSD: 15860.9/V=-16.9568(t^2)+6389.6(t)/Target: 3.073
assign (resid 30 and name H6) (resid 30 and name H2'') 148000 261000 411000 507254 690000 417000 !Direct
!RMSD: 11663.6/Vols corr: 4/V=-18.2746(t^2)+6900(t)/Target: 3.034
assign (resid 30 and name H5) ((resid 29 and name H2') or (resid 30 and name H2')) 40100 163000 393000 526000 927000 831000 !Direct
!RMSD: 41973/V=-10.5909(t^2)+6118.2(t)/Target: 3.095
assign (resid 30 and name H5) (resid 29 and name H2'') 273000 484000 614000 806000 1130000 736000 !Direct
!RMSD: 17270.7/V=-28.7014(t^2)+11074(t)/Target: 2.804
assign (resid 28 and name H5) (resid 27 and name H2') 46440 83800 132000 165750 251000 228000 !Direct
!RMSD: 2932.11/Vols corr: 1 4/V=-4.50899(t^2)+2108.4(t)/Target: 3.696
assign (resid 28 and name H5) (resid 27 and name H2'') 43500 112000 213992 266000 419000 317000 !Direct
!RMSD: 14232.2/Vols corr: 3/V=-7.76763(t^2)+3435.8(t)/Target: 3.408
assign (resid 27 and name H5) (resid 26 and name H2') 40201 86134 144003 182000 348000 406000 !Direct
!RMSD: 6561.08/Vols corr: 1 2 3/V=-2.54873(t^2)+2111.2(t)/Target: 3.696
assign (resid 27 and name H5) (resid 26 and name H2'') 70500 111000 220049 302000 394000 334000 !Direct
!RMSD: 11427.6/Vols corr: 3/V=-8.16002(t^2)+3546(t)/Target: 3.39
assign (resid 21 and name H5) (resid 20 and name H2') 35200 32400 61500 85900 223000 261000 !Direct
!RMSD: 9040.75/V=-0.510882(t^2)+1044(t)/Target: 4.156
assign (resid 21 and name H5) (resid 20 and name H2'') 56700 81000 127000 158027 260000 279000 !Direct
!RMSD: 3138.65/Vols corr: 4/V=-3.16923(t^2)+1897.2(t)/Target: 3.762
assign (resid 29 and name H5) (resid 28 and name H2') 30900 142000 192000 346000 532000 350000 !Direct
!RMSD: 27981.2/V=-9.48198(t^2)+4149.6(t)/Target: 3.302
assign (resid 17 and name H1') (resid 17 and name H2') 32100 212000 366000 529000 985000 907000 !Direct
!RMSD: 42352.8/V=-10.9172(t^2)+6501(t)/Target: 3.064
assign (resid 17 and name H1') (resid 17 and name H2'') 636964 1210000 1620000 1983457 2570000 1830000 !Direct
!RMSD: 10655.8/Vols corr: 1 4/V=-68.9342(t^2)+26728(t)/Target: 2.421
assign (resid 15 and name H1') (resid 15 and name H2'') 661000 1450000 1970000 2520000 3780000 2910000 !Direct
!RMSD: 58382.3/V=-77.7689(t^2)+33264(t)/Target: 2.334
assign (resid 18 and name H1') (resid 18 and name H4') 99218 201000 247000 345075 537000 465000 !Direct
!RMSD: 9643.41/Vols corr: 1 4/V=-9.52644(t^2)+4403.4(t)/Target: 3.269
assign (resid 25 and name H1') (resid 25 and name H4') 231677 382000 572000 766551 1190000 1170000 !Direct
!RMSD: 13824.1/Vols corr: 1 4/V=-18.5448(t^2)+9520(t)/Target: 2.875
assign (resid 17 and name H1') (resid 17 and name H4') 182000 421000 676000 1040000 1510000 1390000 !Direct
!RMSD: 42931.3/V=-23.3476(t^2)+11778(t)/Target: 2.775
assign (resid 3 and name H1') (resid 3 and name H4') 96000 313000 551000 540000 961000 714000 !Direct
!RMSD: 34216.1/V=-18.6258(t^2)+8072.4(t)/Target: 2.899
assign (resid 24 and name H1') (resid 24 and name H4') -17500 81091 106000 136000 265000 200000 !Direct
!RMSD: 16027.6/Vols corr: 2/V=-3.60347(t^2)+1802(t)/Target: 3.795
assign (resid 7 and name H1') (resid 7 and name H4') 198000 366000 638343 827000 1170000 940000 !Direct
!RMSD: 24647/Vols corr: 3/V=-23.7966(t^2)+10296(t)/Target: 2.838
assign (resid 26 and name H1') (resid 26 and name H4') 245000 592000 870333 1040000 1560000 1240000 !Direct
!RMSD: 24288.4/Vols corr: 3/V=-32.474(t^2)+14040(t)/Target: 2.695
assign (resid 17 and name H1') ((resid 17 and name H5'') or (resid 18 and name H5'')) 70800 281867 340000 530000 871000 879000 !Direct
!RMSD: 24091.8/Vols corr: 2/V=-10.313(t^2)+6153(t)/Target: 3.092
assign (resid 29 and name H1') (resid 29 and name H2'') 1620000 3080000 4422553 5300000 7180000 4820000 !Direct
!RMSD: 47154.3/Vols corr: 3/V=-190.248(t^2)+73236(t)/Target: 2.046
assign (resid 29 and name H1') ((resid 29 and name H2') or (resid 30 and name H2')) 287000 681000 1000000 1490000 2510000 1900000 !Direct
!RMSD: 95090.2/V=-41.1917(t^2)+19076(t)/Target: 2.561
assign (resid 29 and name H1') (resid 29 and name H4') 275000 631000 998000 1300000 2130000 1690000 !Direct
!RMSD: 60805.5/V=-36.4863(t^2)+17040(t)/Target: 2.609
assign (resid 29 and name H1') (resid 30 and name H5'*) 77600 145000 237000 351000 666000 552000 !Direct
!RMSD: 28148.7/V=-8.16088(t^2)+4395.6(t)/Target: 3.27
assign (resid 22 and name H1') (resid 22 and name H4') 209000 452000 787000 885000 1380000 1030000 !Direct
!RMSD: 33634.5/V=-29.3684(t^2)+12420(t)/Target: 2.75
assign (resid 19 and name H1') (resid 19 and name H4') 451275 839000 1170000 1480000 2270000 1960000 !Direct
!RMSD: 27110/Vols corr: 1/V=-40.6796(t^2)+19068(t)/Target: 2.561
assign (resid 16 and name H1') (resid 16 and name H2'') 952000 1750000 2580000 3370000 4860000 3420000 !Direct
!RMSD: 86972/V=-110.227(t^2)+44712(t)/Target: 2.222
assign ((resid 16 and name H1') or (resid 16 and name H5)) (resid 16 and name H2') 104000 252000 530000 731000 1430000 1270000 !Direct
!RMSD: 63720.3/V=-15.5457(t^2)+9152(t)/Target: 2.894
assign (resid 16 and name H1') (resid 17 and name H5'*) 79900 66400 170000 262000 528000 436000 !Direct
!RMSD: 28604.1/V=-5.81309(t^2)+3273.6(t)/Target: 3.435
assign (resid 14 and name H1') (resid 14 and name H4') 294000 457000 678000 861000 1320000 1040000 !Direct
!RMSD: 23973.8/V=-26.425(t^2)+11616(t)/Target: 2.781
assign (resid 23 and name H1') (resid 23 and name H4') 351000 649000 1003691 1230000 1800000 1440000 !Direct
!RMSD: 21059.1/Vols corr: 3/V=-37.5659(t^2)+16200(t)/Target: 2.631
assign (resid 3 and name H8) (resid 3 and name H5'') -4490 15200 32900 6550 34800 70000 !Direct
!RMSD: 5369.26/V=0(t^2)+210(t)/Target: 5.43
assign (resid 21 and name H3') (resid 21 and name H2') 677000 1090000 1470000 1790000 1990000 1230000 !Direct
!RMSD: 41701.1/V=-67.7123(t^2)+24278(t)/Target: 2.46
assign (resid 21 and name H3') (resid 21 and name H2'') 381000 640000 977000 1420000 1960000 1340000 !Direct
!RMSD: 51445.9/V=-44.8(t^2)+18032(t)/Target: 2.585
assign (resid 8 and name H3') (resid 8 and name H2') 1800000 2990000 3600000 4380000 4540000 2740000 !Direct
!RMSD: 172941/V=-172.589(t^2)+59928(t)/Target: 2.116
assign (resid 8 and name H3') (resid 8 and name H2'') 418000 670000 968302 1203256 1580000 974000 !Direct
!RMSD: 15589.6/Vols corr: 3 4/V=-43.9943(t^2)+16432(t)/Target: 2.625
assign (resid 23 and name H2') (resid 24 and name H7*) 330669 498000 778000 1130000 1980000 1850000 !Direct
!RMSD: 56999.3/Vols corr: 1/V=-25.3282(t^2)+13860(t)/Target: 2.701
assign (resid 7 and name H2'') (resid 8 and name H7*) 232000 605000 984000 1570000 2450000 2260000 !Direct
!RMSD: 84058.8/V=-34.4354(t^2)+18130(t)/Target: 2.582
assign (resid 4 and name H2') (resid 5 and name H7*) 89200 242000 354000 466000 779000 619000 !Direct
!RMSD: 23217.6/V=-13.2391(t^2)+6076.2(t)/Target: 3.099
assign (resid 10 and name H2'') (resid 11 and name H7*) 496000 1126204 1500000 1896945 2810000 2540000 !Direct
!RMSD: 22425.6/Vols corr: 2 4/V=-51.9655(t^2)+24166(t)/Target: 2.462
assign (resid 12 and name H7*) (resid 11 and name H7*) 2156657 3757203 5510000 6590000 6650000 3760000 !Direct
!RMSD: 191349/Vols corr: 1 2/V=-252.718(t^2)+87780(t)/Target: 1.899
assign (resid 8 and name H2') (resid 9 and name H7*) 971382 1631595 2277758 2710381 3180000 1520000 !Direct
!RMSD: 20277.3/Vols corr: 1 2 3 4/V=-110.562(t^2)+38160(t)/Target: 2.281
assign ((resid 8 and name H2'') or (resid 9 and name H2')) (resid 9 and name H7*) 249000 766000 971000 1450000 2180000 2010000 !Direct
!RMSD: 50249.7/V=-35.4356(t^2)+17440(t)/Target: 2.599
assign ((resid 11 and name H2') or (resid 12 and name H2')) (resid 12 and name H7*) 929814 1660354 2377928 2760000 3840000 2070000 !Direct
!RMSD: 57377.6/Vols corr: 1 2 3/V=-109.737(t^2)+39936(t)/Target: 2.264
assign (resid 11 and name H2'') (resid 12 and name H7*) 339000 759000 1170000 1720000 2530000 2170000 !Direct
!RMSD: 65085.8/V=-44.5367(t^2)+20746(t)/Target: 2.525
assign (resid 18 and name H1') (resid 19 and name H5'') 34192 69182 103333 129000 190000 144000 !Direct
!RMSD: 3007.83/Vols corr: 1 2 3/V=-3.92301(t^2)+1672(t)/Target: 3.842
assign (resid 22 and name H8) (resid 21 and name H1') 5960 128000 137000 264000 433000 406000 !Direct
!RMSD: 20596.5/V=-4.60619(t^2)+2857.8(t)/Target: 3.514
assign (resid 27 and name H6) (resid 28 and name H5) 40500 35870 60716 74200 160000 211000 !Direct
!RMSD: 4640.09/Vols corr: 2 3/V=-0.459347(t^2)+844(t)/Target: 4.306
assign (resid 28 and name H6) (resid 27 and name H1') 128000 148456 179000 248000 323000 206000 !Direct
!RMSD: 11036.7/Vols corr: 2/V=-9.09329(t^2)+3423.8(t)/Target: 3.41
assign (resid 13 and name H6) (resid 12 and name H1') 21100 31000 100381 146000 242000 292000 !Direct
!RMSD: 9230.69/Vols corr: 3/V=-1.62111(t^2)+1460(t)/Target: 3.899
assign (resid 6 and name H8) (resid 5 and name H1') 5150 68500 84900 137000 254000 134000 !Direct
!RMSD: 16367.3/V=-4.53586(t^2)+1879.6(t)/Target: 3.768
assign (resid 3 and name H8) (resid 2 and name H1') 32200 92600 157000 239000 293000 142000 !Direct
!RMSD: 13887.6/Vols corr: 5 6/V=-1.91377(t^2)+1318.5(t)/Target: 3.414
assign (resid 14 and name H8) (resid 14 and name H3') 55200 157000 247000 448000 922000 853000 !Direct
!RMSD: 47007.5/V=-7.68167(t^2)+5347.6(t)/Target: 3.165
assign (resid 15 and name H8) (resid 15 and name H3') 76600 106000 69800 148000 198000 254000 !Direct
!RMSD: 13229.4/V=-2.51992(t^2)+1574.8(t)/Target: 3.881
assign (resid 6 and name H8) (resid 6 and name H3') 10500 39500 113174 165000 263000 266000 !Direct
!RMSD: 12169.4/Vols corr: 3/V=-2.57876(t^2)+1702.4(t)/Target: 3.831
assign (resid 23 and name H8) (resid 23 and name H3') 94000 171000 317000 523000 1060000 1010000 !Direct
!RMSD: 49056.1/V=-9.26607(t^2)+6360(t)/Target: 3.075
assign (resid 21 and name H6) (resid 21 and name H3') 46400 92400 126000 151808 220000 226000 !Direct
!RMSD: 2317.58/Vols corr: 4/V=-3.80316(t^2)+1898.4(t)/Target: 3.762
assign (resid 20 and name H8) (resid 20 and name H3') 12200 38600 98900 172000 389000 375000 !Direct
!RMSD: 22546.5/V=-1.8711(t^2)+1945(t)/Target: 3.747
assign (resid 20 and name H8) (resid 19 and name H3') 27900 54595 83521 95500 176000 159000 !Direct
!RMSD: 4041.9/Vols corr: 2 3/V=-2.51714(t^2)+1302.4(t)/Target: 4.006
assign (resid 18 and name H8) (resid 18 and name H3') -21000 68600 74400 192000 316000 333000 !Direct
!RMSD: 19907.8/V=-2.30825(t^2)+1864.8(t)/Target: 3.773
assign (resid 16 and name H6) (resid 16 and name H3') 26000 34100 123507 186000 268000 277000 !Direct
!RMSD: 13064.5/Vols corr: 3/V=-3.15785(t^2)+1883.6(t)/Target: 3.767
assign (resid 10 and name H8) (resid 9 and name H3') 35400 51300 67928 78600 113000 93500 !Direct
!RMSD: 2320.79/Vols corr: 3/V=-2.68924(t^2)+1107.4(t)/Target: 4.115
assign (resid 17 and name H6) (resid 16 and name H3') 42600 3790 29800 56000 174000 130000 !Direct
!RMSD: 15229.3/V=-1.2514(t^2)+870(t)/Target: 4.284
assign (resid 24 and name H6) (resid 23 and name H3') 24900 39700 29700 58215 97100 75700 !Direct
!RMSD: 4710.9/Vols corr: 4/V=-1.55804(t^2)+737.96(t)/Target: 4.403
assign (resid 24 and name H6) (resid 24 and name H3') 28700 28800 42300 56500 145000 122000 !Direct
!RMSD: 8008.37/V=-1.52315(t^2)+899(t)/Target: 4.261
assign (resid 29 and name H6) (resid 29 and name H4') 93200 90400 171440 210000 346000 384000 !Direct
!RMSD: 8821.37/Vols corr: 3/V=-4.33774(t^2)+2611.2(t)/Target: 3.567
assign (resid 18 and name H8) (resid 17 and name H1') 21400 85300 125053 172000 204000 159000 !Direct
!RMSD: 6618.11/Vols corr: 3/V=-4.9683(t^2)+2040(t)/Target: 3.717
assign (resid 18 and name H8) (resid 18 and name H1') -4370 -44000 -61100 -30200 19100 71400 !Direct
!RMSD: 20479.3/V=0(t^2)+99.96(t)/Target: 6.145
assign (resid 12 and name H6) (resid 13 and name H5) 95100 82000 142000 215000 384000 304000 !Direct
!RMSD: 17119.4/V=-5.5771(t^2)+2764.8(t)/Target: 3.533
assign (resid 28 and name H6) (resid 28 and name H4') 29900 48100 66000 119108 223000 197000 !Direct
!RMSD: 9925.3/Vols corr: 4/V=-2.36114(t^2)+1427.2(t)/Target: 3.899
assign (resid 26 and name H8) (resid 26 and name H4') 14640 29200 36400 49600 115000 183000 !Direct
!RMSD: 2792.24/Vols corr: 1/V=0(t^2)+585.6(t)/Target: 4.576
assign (resid 23 and name H8) (resid 23 and name H4') 23641 27600 63400 84500 198000 228000 !Direct
!RMSD: 7374.05/Vols corr: 1/V=-0.477493(t^2)+957.6(t)/Target: 4.216
assign ((resid 22 and name H8) or (resid 23 and name H8)) (resid 22 and name H4') 44200 59900 117000 136052 208000 236000 !Direct
!RMSD: 3955.86/Vols corr: 4/V=-2.91479(t^2)+1652(t)/Target: 3.85
assign (resid 20 and name H8) (resid 20 and name H4') 22381 46000 56000 69565 99100 127000 !Direct
!RMSD: 2916.84/Vols corr: 1 4/V=-1.42548(t^2)+838.2(t)/Target: 4.311
assign (resid 19 and name H8) (resid 19 and name H4') -25200 40034 64200 73200 146000 148000 !Direct
!RMSD: 10203.8/Vols corr: 2/V=-1.15412(t^2)+858.4(t)/Target: 4.294
assign (resid 30 and name H6) (resid 30 and name H5'*) 93200 114000 159000 184000 401000 333000 !Direct
!RMSD: 16559.7/V=-5.69921(t^2)+2887.2(t)/Target: 3.508
assign (resid 15 and name H8) (resid 15 and name H4') -10800 24490 30200 44700 86100 77300 !Direct
!RMSD: 5675.74/Vols corr: 2/V=-0.880284(t^2)+533.82(t)/Target: 4.648
assign (resid 14 and name H8) (resid 14 and name H4') 27600 43700 44400 59225 90300 158000 !Direct
!RMSD: 5450.4/Vols corr: 4/V=-0.397492(t^2)+632(t)/Target: 4.518
assign (resid 10 and name H8) (resid 10 and name H4') 22400 23700 -3170 20100 140000 132000 !Direct
!RMSD: 13418/V=0(t^2)+476(t)/Target: 4.737
assign (resid 7 and name H8) (resid 7 and name H4') -7480 55620 77300 94000 212000 219000 !Direct
!RMSD: 10029.1/Vols corr: 2/V=-1.40392(t^2)+1182.6(t)/Target: 4.07
assign (resid 6 and name H8) (resid 6 and name H5') 27360 16700 51600 80400 256000 342000 !Direct
!RMSD: 13831.7/Vols corr: 1/V=0(t^2)+1094.4(t)/Target: 4.123
assign (resid 25 and name H6) (resid 24 and name H6) 42013 63888 105348 124000 211000 201000 !Direct
!RMSD: 3505.76/Vols corr: 1 2 3/V=-3.21543(t^2)+1645.8(t)/Target: 3.852
assign (resid 26 and name H8) (resid 27 and name H6) -83300 19500 -35300 74300 94600 238000 !Direct
!RMSD: 28502/V=0(t^2)+618.8(t)/Target: 4.535
assign (resid 23 and name H8) (resid 24 and name H6) 25100 42100 87613 89200 226000 215000 !Direct
!RMSD: 10112.6/Vols corr: 3/V=-1.90158(t^2)+1310.8(t)/Target: 4.001
assign (resid 22 and name H8) (resid 21 and name H6) -19900 11214 24200 23300 29800 80100 !Direct
!RMSD: 6623.44/Vols corr: 2/V=0(t^2)+224.28(t)/Target: 5.37
assign (resid 20 and name H8) (resid 21 and name H6) -3230 24000 37700 68500 75000 150000 !Direct
!RMSD: 6729.32/Vols corr: 2/V=0(t^2)+480(t)/Target: 4.731
assign ((resid 18 and name H8) or (resid 16 and name H6)) (resid 17 and name H6) 172317 258999 350000 470000 397000 167000 !Direct
!RMSD: 19332/Vols corr: 1 2/V=-18.9802(t^2)+6129(t)/Target: 3.094
assign (resid 14 and name H8) (resid 15 and name H8) 139000 52942 42400 83900 122000 94600 !Direct
!RMSD: 23104.6/Vols corr: 2/V=-2.9031(t^2)+1204(t)/Target: 4.058
assign (resid 14 and name H8) (resid 13 and name H6) 11519 18900 56573 74300 76800 11600 !Direct
!RMSD: 5366.3/Vols corr: 1 3/V=-3.16923(t^2)+992(t)/Target: 4.192
assign (resid 10 and name H8) (resid 11 and name H6) 11340 -101000 54000 -60300 219000 102000 !Direct
!RMSD: 42179.2/Vols corr: 1/V=0(t^2)+453.6(t)/Target: 4.775
assign (resid 10 and name H8) (resid 9 and name H6) 36255 95800 70200 129947 179000 73400 !Direct
!RMSD: 9526.9/Vols corr: 1 4/V=-5.10529(t^2)+1810(t)/Target: 3.792
assign (resid 7 and name H8) (resid 8 and name H6) 19890 -3270 24600 111000 169000 234000 !Direct
!RMSD: 12947.9/Vols corr: 1/V=0(t^2)+795.6(t)/Target: 4.348
assign (resid 6 and name H8) (resid 5 and name H6) 21300 13400 75113 78900 181000 121000 !Direct
!RMSD: 12344.1/Vols corr: 3/V=-2.43311(t^2)+1184(t)/Target: 4.07
assign (resid 20 and name H2) (resid 19 and name H2) 171512 280703 404000 503000 515000 284000 !Direct
!RMSD: 12626.4/Vols corr: 1 2/V=-18.9104(t^2)+6559.6(t)/Target: 3.059
assign (resid 23 and name H2) (resid 22 and name H2) 23100 -34800 75075 28000 306000 275000 !Direct
!RMSD: 31135.4/Vols corr: 1 3/V=0(t^2)+1001(t)/Target: 4.185
assign (resid 23 and name H2) (resid 9 and name H1') 28600 101000 143000 255000 379000 317000 !Direct
!RMSD: 16117.4/V=-6.1563(t^2)+2956.2(t)/Target: 3.494
assign (resid 22 and name H2) (resid 22 and name H1') -9040 -19400 -6340 -13600 72400 50200 !Direct
!RMSD: 12204.8/V=0(t^2)+173.76(t)/Target: 5.604
assign (resid 23 and name H2) (resid 23 and name H1') 25200 44922 69062 85798 129000 103000 !Direct
!RMSD: 1905.26/Vols corr: 2 3 4/V=-2.51416(t^2)+1109.4(t)/Target: 4.114
assign (resid 22 and name H2) (resid 23 and name H1') 6260 6550 20900 24096 43400 75300 !Direct
!RMSD: 1677.1/Vols corr: 4/V=0(t^2)+240.96(t)/Target: 5.307
assign (resid 20 and name H2) (resid 21 and name H1') 12600 34700 47400 64400 89100 172000 !Direct
!RMSD: 5159.29/V=0(t^2)+550.4(t)/Target: 4.624
assign (resid 20 and name H2) (resid 20 and name H1') 67800 69322 114000 122000 202000 266000 !Direct
!RMSD: 7615.07/Vols corr: 2/V=-2.06301(t^2)+1489.6(t)/Target: 3.899
assign (resid 7 and name H2) (resid 25 and name H1') 31700 94300 108484 132000 204000 238000 !Direct
!RMSD: 4813.96/Vols corr: 3/V=-2.92711(t^2)+1666(t)/Target: 3.844
assign (resid 14 and name H2) (resid 14 and name H1') 87600 50900 150098 188000 286000 234000 !Direct
!RMSD: 13388.8/Vols corr: 3/V=-5.3479(t^2)+2402.4(t)/Target: 3.617
assign (resid 29 and name H6) (resid 30 and name H5) 176347 289000 431000 577000 869000 720000 !Direct
!RMSD: 14527.4/Vols corr: 1/V=-16.7796(t^2)+7473.4(t)/Target: 2.899
assign (resid 7 and name H2) (resid 7 and name H1') -22500 -4700 79800 64500 85300 99200 !Direct
!RMSD: 12869.7/V=-1.25984(t^2)+694.4(t)/Target: 4.448
assign (resid 26 and name H8) (resid 26 and name H5') 47300 81800 14400 86990 149000 161000 !Direct
!RMSD: 13635.8/Vols corr: 4/V=-1.60499(t^2)+1030.4(t)/Target: 4.165
assign (resid 26 and name H8) (resid 26 and name H5'') 17700 44600 112000 129573 213000 184000 !Direct
!RMSD: 8403.82/Vols corr: 4/V=-3.23063(t^2)+1618.8(t)/Target: 3.863
assign (resid 27 and name H6) (resid 26 and name H4') -5820 -16400 10350 7810 27800 46000 !Direct
!RMSD: 5237.95/Vols corr: 3/V=0(t^2)+138(t)/Target: 5.823
assign (resid 29 and name H6) (resid 29 and name H5'*) 81000 124434 182629 222000 339000 298000 !Direct
!RMSD: 3751.97/Vols corr: 2 3/V=-6.40461(t^2)+2915.4(t)/Target: 3.502
assign (resid 19 and name H2) (resid 20 and name H1') -9300 8330 35040 46300 96000 146000 !Direct
!RMSD: 5317.51/Vols corr: 3/V=0(t^2)+467.2(t)/Target: 4.752
assign (resid 25 and name H6) (resid 25 and name H5'') 56100 195575 289000 360000 489000 449000 !Direct
!RMSD: 10759.7/Vols corr: 2/V=-9.78999(t^2)+4401(t)/Target: 3.27
assign (resid 24 and name H6) (resid 23 and name H4') 4270 16095 19456 24416 47600 76300 !Direct
!RMSD: 1106.59/Vols corr: 2 3 4/V=0(t^2)+244.16(t)/Target: 5.295
assign (resid 24 and name H6) (resid 24 and name H5'*) -27300 15500 46000 55360 103000 173000 !Direct
!RMSD: 8873.35/Vols corr: 4/V=0(t^2)+553.6(t)/Target: 4.618
assign (resid 23 and name H8) (resid 23 and name H5'') -37600 -1140 7600 21300 187000 220000 !Direct
!RMSD: 21008/V=0(t^2)+704(t)/Target: 4.438
assign (resid 22 and name H8) (resid 22 and name H5'') 39100 45400 16500 51400 194000 174000 !Direct
!RMSD: 15498.4/V=-0.880909(t^2)+892.4(t)/Target: 4.266
assign (resid 21 and name H6) ((resid 21 and name H4') or (resid 21 and name H5'*)) 26500 62600 69500 98800 235000 313000 !Direct
!RMSD: 5596.07/V=0(t^2)+1064.2(t)/Target: 4.143
assign (resid 8 and name H6) (resid 8 and name H5') 27100 79100 63430 74300 114000 174000 !Direct
!RMSD: 8728.87/Vols corr: 3/V=-1.2514(t^2)+939.6(t)/Target: 4.23
assign (resid 20 and name H8) (resid 20 and name H5'*) -3070 32400 105000 104000 191000 222000 !Direct
!RMSD: 9619.72/V=-1.41351(t^2)+1198.8(t)/Target: 4.061
assign (resid 8 and name H6) (resid 7 and name H4') -26500 13916 -5120 3220 55100 99400 !Direct
!RMSD: 10303.7/Vols corr: 2/V=0(t^2)+278.32(t)/Target: 5.181
assign (resid 19 and name H8) (resid 19 and name H5'') 41100 28600 87200 93600 250000 233000 !Direct
!RMSD: 13568.2/V=-1.5(t^2)+1300(t)/Target: 4.007
assign (resid 17 and name H6) (resid 17 and name H5'*) 60300 120000 181000 259000 455000 406000 !Direct
!RMSD: 13964.6/V=-6.07083(t^2)+3276(t)/Target: 3.435
assign (resid 14 and name H8) ((resid 14 and name H5'') or (resid 13 and name H5'*)) 15379 31400 42993 55800 81700 89600 !Direct
!RMSD: 784.844/Vols corr: 1 3/V=-1.19733(t^2)+663.04(t)/Target: 4.483
assign (resid 14 and name H8) (resid 14 and name H5') 9640 55600 10800 21000 107000 110000 !Direct
!RMSD: 10510.4/V=-0.331662(t^2)+484(t)/Target: 4.724
assign (resid 12 and name H6) (resid 12 and name H5') 27000 100000 96100 120000 279000 218000 !Direct
!RMSD: 13917.8/V=-3.69743(t^2)+1897.2(t)/Target: 3.762
assign (resid 11 and name H6) (resid 10 and name H4') 10900 4972 8814 15200 9000 45200 !Direct
!RMSD: 3926.06/Vols corr: 2 3/V=0(t^2)+117.52(t)/Target: 5.981
assign (resid 11 and name H6) (resid 11 and name H5'') 59800 55100 116000 154998 279000 317000 !Direct
!RMSD: 7620.27/Vols corr: 4/V=-2.25211(t^2)+1775.2(t)/Target: 3.804
assign (resid 10 and name H8) ((resid 10 and name H5') or (resid 9 and name H4')) -73000 -38200 62500 42000 213000 259000 !Direct
!RMSD: 27666.7/V=0(t^2)+828.8(t)/Target: 4.318
assign (resid 9 and name H6) (resid 9 and name H5'') -19000 21500 79100 54100 167000 252000 !Direct
!RMSD: 11087.1/V=0(t^2)+806.4(t)/Target: 4.338
assign (resid 7 and name H8) (resid 6 and name H4') 8360 27100 41000 68160 132000 213000 !Direct
!RMSD: 3565/Vols corr: 4/V=0(t^2)+681.6(t)/Target: 4.462
assign (resid 12 and name H6) (resid 11 and name H4') 12480 24960 37440 49920 99200 156000 !Direct
!RMSD: 1254.55/Vols corr: 1 2 3 4/V=0(t^2)+499.2(t)/Target: 4.7
assign (resid 3 and name H8) (resid 3 and name H1') 166000 437000 591000 786000 1210000 935000 !Direct
!RMSD: 27421.7/V=-23.1(t^2)+10164(t)/Target: 2.844
assign (resid 5 and name H6) (resid 4 and name H4') -3680 7248 15800 15402 34000 45300 !Direct
!RMSD: 1854.71/Vols corr: 2 4/V=0(t^2)+154.02(t)/Target: 5.717
assign (resid 21 and name H6) (resid 20 and name H4') -47200 -31900 6010 -37700 47700 58200 !Direct
!RMSD: 17236.4/V=0(t^2)+139.68(t)/Target: 5.811
assign (resid 4 and name H8) (resid 4 and name H4') 1896 4108 2230 8530 5900 31600 !Direct
!RMSD: 2644.52/Vols corr: 1 2/V=0(t^2)+82.16(t)/Target: 6.348
assign (resid 28 and name H6) (resid 27 and name H4') 4580 7660 -16800 -2400 -41000 41900 !Direct
!RMSD: 12213/V=0(t^2)+25.14(t)/Target: 7.734
assign (resid 23 and name H1') (resid 24 and name H7*) 55300 38100 132000 177335 383000 485000 !Direct
!RMSD: 13634.9/Vols corr: 4/V=-0.696419(t^2)+1843(t)/Target: 3.78
assign (resid 25 and name H5) (resid 24 and name H7*) 64351 127000 166000 208000 347000 329000 !Direct
!RMSD: 4550.25/Vols corr: 1/V=-5.3016(t^2)+2706.6(t)/Target: 3.546
assign (resid 24 and name H1') (resid 24 and name H7*) -2810 9210 -4830 20254 22600 77900 !Direct
!RMSD: 6566.77/Vols corr: 4/V=0(t^2)+202.54(t)/Target: 5.462
assign (resid 7 and name H1') (resid 8 and name H7*) 56302 80400 139000 188000 454000 545000 !Direct
!RMSD: 14601.2/Vols corr: 1/V=-1.47648(t^2)+2289(t)/Target: 3.646
!assign (resid 8 and name H1') (resid 8 and name H7*) 59842 126000 169000 216000 260000 315000 !Direct (consistently violated)
!RMSD: 9769.29/Vols corr: 1/V=-5.05124(t^2)+2520(t)/Target: 3.588
assign (resid 11 and name H1') (resid 11 and name H7*) 16320 28100 55135 63100 149000 192000 !Direct
!RMSD: 3723.06/Vols corr: 1 3/V=-0.438178(t^2)+768(t)/Target: 4.374
assign (resid 5 and name H1') (resid 5 and name H7*) -8890 47100 22500 42858 72000 77600 !Direct
!RMSD: 6751.83/Vols corr: 4/V=-0.835703(t^2)+512.16(t)/Target: 4.68
assign (resid 11 and name H1') (resid 12 and name H7*) -57500 -13500 107000 94300 413000 542000 !Direct
!RMSD: 35695.7/V=0(t^2)+1734.4(t)/Target: 3.819
assign (resid 12 and name H1') (resid 12 and name H7*) -23600 11200 2400 13800 136000 169000 !Direct
!RMSD: 14870.4/V=0(t^2)+540.8(t)/Target: 4.638
assign (resid 13 and name H5) (resid 12 and name H7*) 54095 71800 146000 169000 352000 336000 !Direct
!RMSD: 12258/Vols corr: 1/V=-3.55978(t^2)+2252.8(t)/Target: 3.656
assign (resid 17 and name H1') (resid 17 and name H7*) 8170 42900 17800 17000 27600 110000 !Direct
!RMSD: 9856.33/V=0(t^2)+286(t)/Target: 5.157
assign (resid 6 and name H1') (resid 8 and name H7*) -13200 24300 -2500 32200 37700 62900 !Direct
!RMSD: 6334.94/V=0(t^2)+201.28(t)/Target: 5.468
assign (resid 7 and name H1') (resid 9 and name H7*) 7380 -5880 15200 17940 29000 59800 !Direct
!RMSD: 3549.89/Vols corr: 4/V=0(t^2)+179.4(t)/Target: 5.574
assign (resid 10 and name H1') (resid 12 and name H7*) -9120 -7560 -1420 14100 66700 94200 !Direct
!RMSD: 8091.29/V=0(t^2)+282.6(t)/Target: 5.167
!assign (resid 13 and name H5) (resid 13 and name H2'') 59500 124000 224000 319000 635000 673000 !Direct
!RMSD: 21044.7/V=-4.92219(t^2)+3768.8(t)/Target: 3.355
assign (resid 21 and name H5) (resid 21 and name H2') 69800 122196 140000 202000 404000 376000 !Direct
!RMSD: 13542.6/Vols corr: 2/V=-4.44927(t^2)+2666.4(t)/Target: 3.555
assign (resid 27 and name H1') (resid 27 and name H2') 127000 330000 628000 805000 1300000 1020000 !Direct
!RMSD: 45665.8/V=-22.8035(t^2)+10400(t)/Target: 2.833
assign (resid 26 and name H1') (resid 27 and name H2') -50500 -21100 69700 47900 208000 185000 !Direct
!RMSD: 23496.8/V=0(t^2)+707.2(t)/Target: 4.435
assign (resid 27 and name H5) (resid 27 and name H2') 17550 5580 13400 62500 132000 234000 !Direct
!RMSD: 11116.5/Vols corr: 1/V=0(t^2)+702(t)/Target: 4.44
assign (resid 27 and name H5) (resid 27 and name H2'') -2160 -1700 10479 15968 35900 49900 !Direct
!RMSD: 2478.43/Vols corr: 3 4/V=0(t^2)+159.68(t)/Target: 5.683
assign (resid 28 and name H5) (resid 28 and name H2') -3290 63500 110000 135000 139000 245000 !Direct
!RMSD: 13955.3/V=-1.48492(t^2)+1225(t)/Target: 4.047
assign (resid 6 and name H1') (resid 7 and name H2'') -16500 -18200 11600 -1430 41600 42900 !Direct
!RMSD: 7641.86/V=0(t^2)+137.28(t)/Target: 5.828
assign (resid 1 and name H1') (resid 1 and name H2') 190000 530000 760000 1060000 1670000 1090000 !Direct
!RMSD: 60058/V=-33.5994(t^2)+14028(t)/Target: 2.695
assign (resid 21 and name H1') (resid 22 and name H5') -101000 -22900 24200 54000 274000 198000 !Direct
!RMSD: 37625.9/V=0(t^2)+767.2(t)/Target: 4.375
assign (resid 13 and name H1') (resid 14 and name H5'') 60000 178000 268056 309576 451000 410000 !Direct
!RMSD: 7974.68/Vols corr: 3 4/V=-8.73035(t^2)+3968.8(t)/Target: 3.327
assign (resid 13 and name H1') ((resid 13 and name H4') or (resid 13 and name H5'*)) 205000 410000 579149 746000 974000 863000 !Direct
!RMSD: 8796.76/Vols corr: 3/V=-21.7121(t^2)+9350.4(t)/Target: 2.884
assign (resid 18 and name H1') (resid 19 and name H4') -14100 44100 13545 14100 22100 60200 !Direct
!RMSD: 8543.78/Vols corr: 3/V=0(t^2)+180.6(t)/Target: 5.568
assign (resid 25 and name H1') (resid 25 and name H5'') 40400 56900 50900 82700 88700 171000 !Direct
!RMSD: 9701.6/V=-0.827043(t^2)+786.6(t)/Target: 4.357
assign (resid 25 and name H1') (resid 25 and name H5') 1290 14100 26520 42535 90100 104000 !Direct
!RMSD: 3732.45/Vols corr: 3 4/V=-0.32249(t^2)+457.6(t)/Target: 4.768
assign (resid 25 and name H6) (resid 25 and name H5') -5150 7200 27900 46000 80700 64200 !Direct
!RMSD: 5947.19/V=-0.852232(t^2)+500.34(t)/Target: 4.698
assign (resid 1 and name H1') (resid 1 and name H5'*) 3720 1600 49200 80700 38800 151000 !Direct
!RMSD: 13983.4/V=0(t^2)+422.8(t)/Target: 4.832
assign (resid 1 and name H8) (resid 1 and name H5'*) -2320 4120 -11700 6709 5100 30500 !Direct
!RMSD: 4351.1/Vols corr: 4/V=0(t^2)+67.1(t)/Target: 6.567
assign (resid 1 and name H1') (resid 1 and name H2'') 227000 445000 604000 791000 1210000 852000 !Direct
!RMSD: 25688.8/V=-26.4(t^2)+10890(t)/Target: 2.811
assign (resid 6 and name H1') (resid 6 and name H5'*) 25400 66300 129000 304000 496000 437000 !Direct
!RMSD: 30599/V=-4.92991(t^2)+3075.2(t)/Target: 3.471
assign (resid 6 and name H1') (resid 7 and name H4') 2220 24720 -24300 61800 116000 206000 !Direct
!RMSD: 15082.1/Vols corr: 2 4/V=0(t^2)+618(t)/Target: 4.536
assign (resid 5 and name H1') (resid 6 and name H4') 15800 22000 82400 82757 127000 115000 !Direct
!RMSD: 6323.8/Vols corr: 4/V=-2.13822(t^2)+1041.4(t)/Target: 4.158
assign (resid 28 and name H6) (resid 28 and name H5') 51600 105045 154254 204530 301000 248000 !Direct
!RMSD: 4692.53/Vols corr: 2 3 4/V=-6.03498(t^2)+2648.8(t)/Target: 3.559
assign (resid 30 and name H6) (resid 30 and name H4') 32322 47000 93500 124222 200000 154000 !Direct
!RMSD: 6925.27/Vols corr: 1 4/V=-3.57771(t^2)+1600(t)/Target: 3.87
assign (resid 22 and name H1') (resid 22 and name H5'') 32500 63331 102889 117000 255000 287000 !Direct
!RMSD: 6387.74/Vols corr: 2 3/V=-1.60717(t^2)+1492.4(t)/Target: 3.899
assign (resid 17 and name H1') (resid 18 and name H4') 74300 67300 204000 240630 372000 232000 !Direct
!RMSD: 17903.6/Vols corr: 4/V=-7.92893(t^2)+3199.2(t)/Target: 3.448
assign (resid 18 and name H8) (resid 18 and name H4') -22600 29700 36700 12500 34900 94200 !Direct
!RMSD: 9272.66/V=0(t^2)+263.76(t)/Target: 5.227
assign (resid 18 and name H8) (resid 18 and name H5') 7616 15232 28500 28700 53500 95200 !Direct
!RMSD: 2046.78/Vols corr: 1 2/V=0(t^2)+304.64(t)/Target: 5.103
assign (resid 17 and name H1') (resid 18 and name H5') 41100 184953 233000 339000 503000 451000 !Direct
!RMSD: 14028.7/Vols corr: 2/V=-8.5107(t^2)+4124.6(t)/Target: 3.305
assign (resid 16 and name H1') (resid 16 and name H5'*) 31700 32960 22900 70040 147000 206000 !Direct
!RMSD: 6777.6/Vols corr: 2 4/V=0(t^2)+700.4(t)/Target: 4.442
assign (resid 11 and name H1') (resid 12 and name H5') 99900 161000 278000 378000 658000 568000 !Direct
!RMSD: 20490.8/V=-9.73406(t^2)+4869.2(t)/Target: 3.215
assign (resid 7 and name H1') ((resid 8 and name H4') or (resid 8 and name H5'')) 209000 307000 563000 886000 1590000 1330000 !Direct
!RMSD: 68888.7/V=-20.1752(t^2)+10812(t)/Target: 2.815
assign (resid 30 and name H1') (resid 30 and name H5'*) 68000 198000 184000 261869 409000 434000 !Direct
!RMSD: 11641.3/Vols corr: 4/V=-5.92908(t^2)+3211.6(t)/Target: 3.446
assign (resid 30 and name H1') (resid 30 and name H3') 54000 46500 105758 133000 237000 270000 !Direct
!RMSD: 6890.27/Vols corr: 3/V=-2.07846(t^2)+1566(t)/Target: 3.884
assign (resid 30 and name H5) (resid 30 and name H3') -2520 -12900 12500 20000 7810 48200 !Direct
!RMSD: 5915.49/V=0(t^2)+125.32(t)/Target: 5.917
assign (resid 15 and name H1') (resid 15 and name H3') 106000 31900 100800 56200 266000 420000 !Direct
!RMSD: 22709.6/Vols corr: 3/V=0(t^2)+1344(t)/Target: 3.899
assign (resid 16 and name H1') (resid 16 and name H3') 14494 -4530 22600 10100 82400 223000 !Direct
!RMSD: 17187.7/Vols corr: 1/V=0(t^2)+579.8(t)/Target: 4.584
assign (resid 21 and name H1') (resid 21 and name H3') 26620 5570 50700 70400 158000 202000 !Direct
!RMSD: 7332.63/Vols corr: 1 4/V=0(t^2)+704(t)/Target: 4.438
assign (resid 18 and name H1') (resid 18 and name H3') 221492 337823 453000 490687 565000 541000 !Direct
!RMSD: 28706.6/Vols corr: 1 2 4/V=-16.0392(t^2)+6510.8(t)/Target: 3.063
assign (resid 18 and name H8) (resid 17 and name H3') -9430 17600 6930 12096 19200 37800 !Direct
!RMSD: 3579.64/Vols corr: 4/V=0(t^2)+120.96(t)/Target: 5.952
assign (resid 17 and name H1') (resid 17 and name H3') 46734 78100 109000 129000 243000 134000 !Direct
!RMSD: 10633.1/Vols corr: 1/V=-4.9295(t^2)+1992.6(t)/Target: 3.731
assign (resid 19 and name H1') (resid 19 and name H3') 82400 265510 350454 476000 730000 904000 !Direct
!RMSD: 12083.1/Vols corr: 2 3/V=-7.60631(t^2)+5243.2(t)/Target: 3.176
assign (resid 20 and name H1') (resid 20 and name H3') -22000 311000 314354 402000 607000 746000 !Direct
!RMSD: 33817.6/Vols corr: 3/V=-7.77342(t^2)+4774.4(t)/Target: 3.226
assign (resid 22 and name H8) (resid 21 and name H3') 7008 16819 22300 31142 56800 62300 !Direct
!RMSD: 1068.35/Vols corr: 1 2 4/V=-0.499199(t^2)+361.34(t)/Target: 4.96
assign (resid 22 and name H1') (resid 22 and name H3') 81200 230254 318000 433000 707000 881000 !Direct
!RMSD: 9050.79/Vols corr: 2/V=-6.57031(t^2)+4933.6(t)/Target: 3.208
assign (resid 25 and name H1') (resid 25 and name H3') -9900 120000 157208 187000 350000 368000 !Direct
!RMSD: 14740.1/Vols corr: 3/V=-3.71322(t^2)+2374.6(t)/Target: 3.624
assign (resid 26 and name H8) (resid 25 and name H3') 15370 44500 55600 41600 50100 51900 !Direct
!RMSD: 5633.5/Vols corr: 1/V=-1.65058(t^2)+656.08(t)/Target: 4.491
assign (resid 27 and name H1') (resid 27 and name H3') -56400 24780 39900 65000 70900 162000 !Direct
!RMSD: 15429.5/Vols corr: 2/V=0(t^2)+495.6(t)/Target: 4.705
assign (resid 27 and name H6) (resid 26 and name H3') 28913 53200 75000 112000 222000 308000 !Direct
!RMSD: 3212.63/Vols corr: 1/V=-0.554977(t^2)+1170.4(t)/Target: 4.078
assign (resid 28 and name H6) (resid 27 and name H3') 17203 33112 47800 59300 101000 119000 !Direct
!RMSD: 546.904/Vols corr: 1 2/V=-1.03489(t^2)+714(t)/Target: 4.428
assign (resid 29 and name H1') (resid 29 and name H3') 29760 76100 89280 126000 231000 372000 !Direct
!RMSD: 4878.03/Vols corr: 1 3/V=0(t^2)+1190.4(t)/Target: 4.066
assign (resid 30 and name H6) (resid 29 and name H3') -10600 6149 11900 15136 27400 47300 !Direct
!RMSD: 2973.49/Vols corr: 2 4/V=0(t^2)+151.36(t)/Target: 5.734
assign (resid 13 and name H6) (resid 12 and name H3') -1090 20000 67478 104000 179000 234000 !Direct
!RMSD: 8017.64/Vols corr: 3/V=-0.483735(t^2)+936(t)/Target: 4.232
assign (resid 11 and name H6) (resid 10 and name H3') 15600 111000 87400 156781 277000 264000 !Direct
!RMSD: 12292.6/Vols corr: 4/V=-3.15785(t^2)+1883.6(t)/Target: 3.767
assign (resid 9 and name H6) (resid 8 and name H3') -5320 39065 33700 67600 138000 111000 !Direct
!RMSD: 8940.97/Vols corr: 2/V=-1.48593(t^2)+855.6(t)/Target: 4.296
assign (resid 6 and name H8) (resid 5 and name H3') 2560 9190 15220 17400 33200 35000 !Direct
!RMSD: 872.013/Vols corr: 3/V=-0.374166(t^2)+231(t)/Target: 5.344
assign (resid 14 and name H1') (resid 14 and name H3') 4530 203000 209274 243000 457000 538000 !Direct
!RMSD: 19053.1/Vols corr: 3/V=-4.40091(t^2)+3120.4(t)/Target: 3.463
assign (resid 13 and name H1') (resid 13 and name H3') 61900 76000 93500 98100 71000 88200 !Direct
!RMSD: 12925.6/V=-3.4453(t^2)+1275.3(t)/Target: 4.02
assign (resid 12 and name H1') (resid 12 and name H3') 71400 26400 189000 187000 641000 840000 !Direct
!RMSD: 34094.1/Vols corr: 1/V=0(t^2)+2856(t)/Target: 3.514
assign (resid 11 and name H1') (resid 12 and name H3') -8030 -18000 159000 81000 405000 574000 !Direct
!RMSD: 33414.8/V=0(t^2)+1836.8(t)/Target: 3.782
assign (resid 10 and name H1') (resid 10 and name H3') -3500 380000 279000 537000 948000 1120000 !Direct
!RMSD: 45361.3/V=-7.4081(t^2)+6048(t)/Target: 3.101
assign (resid 9 and name H1') (resid 9 and name H3') 109790 256000 344357 456411 732000 736000 !Direct
!RMSD: 8318.54/Vols corr: 1 3 4/V=-10.2949(t^2)+5593.6(t)/Target: 3.142
assign (resid 8 and name H1') (resid 8 and name H3') -90600 175000 18500 218000 240000 361000 !Direct
!RMSD: 40580.6/V=-1.20167(t^2)+1516.2(t)/Target: 3.899
assign (resid 7 and name H1') (resid 7 and name H3') 95321 169000 325837 441000 816000 1010000 !Direct
!RMSD: 15743.4/Vols corr: 1 3/V=-4.01995(t^2)+4646(t)/Target: 3.24
assign (resid 6 and name H1') (resid 6 and name H3') 165189 247000 535345 656000 1250000 1260000 !Direct
!RMSD: 38335.5/Vols corr: 1 3/V=-12.3475(t^2)+8064(t)/Target: 2.899
assign (resid 5 and name H1') (resid 5 and name H3') -61100 63100 220000 309000 361000 604000 !Direct
!RMSD: 34946.1/V=-1.55435(t^2)+2416(t)/Target: 3.614
assign (resid 5 and name H6) (resid 4 and name H3') 26900 40100 90214 102000 207000 165000 !Direct
!RMSD: 9080.88/Vols corr: 3/V=-2.72984(t^2)+1407.6(t)/Target: 3.899
assign (resid 3 and name H1') (resid 3 and name H3') -4680 163000 316000 304000 634000 464000 !Direct
!RMSD: 35304/V=-9.55489(t^2)+4564.8(t)/Target: 3.25
assign (resid 4 and name H1') (resid 4 and name H3') -5620 187000 236806 302000 465000 446000 !Direct
!RMSD: 19704.9/Vols corr: 3/V=-7.501(t^2)+3720(t)/Target: 3.363
assign (resid 4 and name H8) (resid 4 and name H3') 21900 30300 49300 62300 181000 147000 !Direct
!RMSD: 11111.3/V=-1.27632(t^2)+941.2(t)/Target: 4.228
assign ((resid 16 and name H2') or (resid 17 and name H2')) (resid 17 and name H7*) 984586 1657531 2200000 2704016 3130000 1440000 !Direct
!RMSD: 24197/Vols corr: 1 2 4/V=-111.458(t^2)+38186(t)/Target: 2.281
assign (resid 16 and name H2'') (resid 17 and name H7*) 69700 290155 366921 404000 666000 463000 !Direct
!RMSD: 21262/Vols corr: 2 3/V=-14.6896(t^2)+5994(t)/Target: 3.106
assign (resid 11 and name H2') (resid 11 and name H7*) 111000 167000 309000 304000 572000 347000 !Direct
!RMSD: 23428/V=-12.1009(t^2)+4919.2(t)/Target: 3.21
assign (resid 9 and name H2') (resid 9 and name H7*) 188752 356000 607368 682000 933000 226000 !Direct
!RMSD: 35115.4/Vols corr: 1 3/V=-32.77(t^2)+10556(t)/Target: 2.826
assign (resid 7 and name H2'') (resid 9 and name H7*) -21400 -14400 -1930 8070 65600 120000 !Direct
!RMSD: 12034.1/V=0(t^2)+336(t)/Target: 5.02
assign (resid 24 and name H2'') (resid 24 and name H7*) -75400 -18700 7410 -23300 170000 234000 !Direct
!RMSD: 30738.7/V=0(t^2)+655.2(t)/Target: 4.492
assign (resid 9 and name H3') (resid 9 and name H7*) 13000 -34900 7930 49700 184000 156000 !Direct
!RMSD: 20350.2/V=0(t^2)+588.8(t)/Target: 4.572
assign (resid 17 and name H3') (resid 17 and name H7*) 6930 -8030 53548 93600 100000 60300 !Direct
!RMSD: 11481.9/Vols corr: 3/V=-2.21359(t^2)+880(t)/Target: 4.276
assign (resid 24 and name H3') (resid 24 and name H7*) -5190 21900 -1490 32200 123000 90200 !Direct
!RMSD: 12380.3/V=-0.350714(t^2)+467.4(t)/Target: 4.752
assign (resid 13 and name H1') (resid 14 and name H3') 326000 418000 237000 339000 200000 137000 !Direct
!RMSD: 69785.9/V=-15.5167(t^2)+4932.4(t)/Target: 3.208
assign (resid 28 and name H5) (resid 27 and name H5) 119217 200917 303000 301368 325000 284000 !Direct
!RMSD: 18861.5/Vols corr: 1 2 4/V=-10.7652(t^2)+4090.2(t)/Target: 3.31
assign (resid 26 and name H1') (resid 27 and name H5) -72300 6540 135000 116000 9650 264000 !Direct
!RMSD: 38810.4/V=0(t^2)+686.4(t)/Target: 4.457
assign (resid 20 and name H1') (resid 21 and name H5) 6010 14200 73400 54900 -55600 108000 !Direct
!RMSD: 25314.3/V=0(t^2)+216(t)/Target: 5.404
assign (resid 13 and name H5) (resid 13 and name H1') 251000 282000 122000 142000 123000 95600 !Direct
!RMSD: 54841.4/V=-8.49659(t^2)+2763.6(t)/Target: 3.533
assign (resid 27 and name H1') (resid 28 and name H5) 172380 272034 379000 428886 454000 148000 !Direct
!RMSD: 8822.93/Vols corr: 1 2 4/V=-19.1213(t^2)+6201(t)/Target: 3.088
assign (resid 29 and name H5) (resid 28 and name H5) 349050 552324 790000 829845 757000 109000 !Direct
!RMSD: 31604.1/Vols corr: 1 2 4/V=-40.2154(t^2)+12320(t)/Target: 2.754
assign (resid 3 and name H8) (resid 3 and name H5') -4770 3560 1890 31518 75200 92700 !Direct
!RMSD: 6109.74/Vols corr: 4/V=0(t^2)+315.18(t)/Target: 5.074
assign (resid 15 and name H3') (resid 15 and name H2') 277000 458000 487000 668000 1070000 980000 !Direct
!RMSD: 26668.3/V=-19.6538(t^2)+9202(t)/Target: 2.891
assign (resid 15 and name H3') (resid 15 and name H2'') 564000 717000 1048954 1210000 1780000 1350000 !Direct
!RMSD: 39026.5/Vols corr: 3/V=-41.3592(t^2)+17088(t)/Target: 2.608
assign (resid 16 and name H3') (resid 16 and name H2') 678000 1270000 1622711 2000000 2410000 1700000 !Direct
!RMSD: 34970.4/Vols corr: 3/V=-71.4112(t^2)+26992(t)/Target: 2.417
assign (resid 16 and name H3') (resid 16 and name H2'') 59800 115000 179000 266000 643000 523000 !Direct
!RMSD: 36177.6/V=-5.61311(t^2)+3600.8(t)/Target: 3.381
assign (resid 27 and name H3') (resid 27 and name H2') 804000 1480000 1810000 2400000 2680000 1590000 !Direct
!RMSD: 46182.6/V=-88.4018(t^2)+31624(t)/Target: 2.354
assign (resid 27 and name H3') (resid 27 and name H2'') 553210 972000 1439554 1770000 2200000 1210000 !Direct
!RMSD: 18105.3/Vols corr: 1 3/V=-66.7458(t^2)+24200(t)/Target: 2.461
assign (resid 19 and name H3') (resid 19 and name H2'') 1410000 3040000 4010000 5390000 7250000 4860000 !Direct
!RMSD: 106172/V=-180.403(t^2)+71050(t)/Target: 2.057
assign (resid 19 and name H3') (resid 19 and name H2') 4620000 7950000 9730000 12300000 14800000 9390000 !Direct
!RMSD: 233645/V=-461.649(t^2)+168720(t)/Target: 1.78
assign (resid 7 and name H4') (resid 7 and name H2') 145000 49000 229943 266000 596000 662000 !Direct
!RMSD: 29999.1/Vols corr: 3/V=-3.25454(t^2)+3310(t)/Target: 3.429
assign (resid 7 and name H4') (resid 7 and name H2'') 56200 117000 338000 384095 663000 768000 !Direct
!RMSD: 22671/Vols corr: 4/V=-6.13449(t^2)+4454.4(t)/Target: 3.263
assign (resid 7 and name H4') (resid 8 and name H7*) 14025 37568 47215 63200 117000 165000 !Direct
!RMSD: 1441.11/Vols corr: 1 2 3/V=-0.406202(t^2)+660(t)/Target: 4.486
assign (resid 11 and name H4') (resid 11 and name H2') 373000 503000 715134 920218 1330000 1110000 !Direct
!RMSD: 21603.1/Vols corr: 3 4/V=-27.6782(t^2)+11970(t)/Target: 2.767
assign (resid 17 and name H7*) (resid 16 and name H5') 20975 28400 46452 61900 100000 116000 !Direct
!RMSD: 1302/Vols corr: 1 3/V=-1.02176(t^2)+696(t)/Target: 4.447
assign (resid 17 and name H7*) (resid 16 and name H5'') 12732 21425 35814 48200 77900 101000 !Direct
!RMSD: 849.5/Vols corr: 1 2 3/V=-0.63561(t^2)+525.2(t)/Target: 4.66
assign (resid 1 and name H5') (resid 1 and name H2') 28714 45302 68900 77077 120000 159000 !Direct
!RMSD: 3157.63/Vols corr: 1 2 4/V=-1.19624(t^2)+890.4(t)/Target: 4.268
assign (resid 1 and name H5') (resid 1 and name H2'') -33900 -37300 10200 -39000 17400 58900 !Direct
!RMSD: 15955.9/V=0(t^2)+106.02(t)/Target: 6.085
assign (resid 23 and name H2'') (resid 24 and name H2') -27600 85000 123921 94900 397000 376000 !Direct
!RMSD: 28491/Vols corr: 3/V=-1.26016(t^2)+1746.8(t)/Target: 3.814
assign (resid 6 and name H8) (resid 6 and name H4') 4624 15900 25000 23027 34000 57800 !Direct
!RMSD: 2299.58/Vols corr: 1 4/V=-0.240416(t^2)+254.32(t)/Target: 5.258
assign (resid 4 and name H2'') (resid 5 and name H7*) 154000 461200 650000 801000 1150000 1060000 !Direct changed from Str to Dir (V8)
!RMSD: 18973.1/Vols corr: 2/V=-22.52(t^2)+10350(t)/Target: 2.835
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