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Commit 0220f97d authored by Giovanni Bussi's avatar Giovanni Bussi
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regtest

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regtest/basic/rt66dna/1bna.gro 0 → 100644
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Made with PLUMED t=0.000000
486
1C O5' 1 1.893 3.419 2.562
1C C5' 2 1.913 3.392 2.422
1C C4' 3 1.996 3.267 2.410
1C O4' 4 1.936 3.158 2.485
1C C3' 5 2.017 3.212 2.269
1C O3' 6 2.135 3.133 2.268
1C C2' 7 1.895 3.122 2.265
1C C1' 8 1.923 3.048 2.394
1C N1 9 1.807 2.966 2.438
1C C2 10 1.822 2.845 2.501
1C O2 11 1.936 2.801 2.521
1C N3 12 1.714 2.776 2.538
1C C4 13 1.592 2.823 2.512
1C N4 14 1.483 2.748 2.544
1C C5 15 1.572 2.944 2.447
1C C6 16 1.684 3.017 2.410
2G P 17 2.241 3.129 2.148
2G OP1 18 2.354 3.216 2.185
2G OP2 19 2.182 3.146 2.014
2G O5' 20 2.284 2.975 2.150
2G C5' 21 2.354 2.917 2.259
2G C4' 22 2.349 2.771 2.228
2G O4' 23 2.219 2.725 2.267
2G C3' 24 2.369 2.733 2.081
2G O3' 25 2.472 2.632 2.065
2G C2' 26 2.227 2.689 2.042
2G C1' 27 2.172 2.630 2.172
2G N9 28 2.024 2.647 2.178
2G C8 29 1.953 2.758 2.143
2G N7 30 1.821 2.745 2.164
2G C5 31 1.808 2.621 2.214
2G C6 32 1.690 2.552 2.255
2G O6 33 1.574 2.592 2.252
2G N1 34 1.720 2.428 2.304
2G C2 35 1.843 2.372 2.316
2G N2 36 1.851 2.246 2.367
2G N3 37 1.954 2.436 2.277
2G C4 38 1.929 2.559 2.227
3C P 39 2.506 2.562 1.925
3C OP1 40 2.651 2.532 1.922
3C OP2 41 2.456 2.641 1.811
3C O5' 42 2.426 2.425 1.933
3C C5' 43 2.458 2.328 2.033
3C C4' 44 2.352 2.223 2.025
3C O4' 45 2.226 2.284 2.045
3C C3' 46 2.342 2.156 1.890
3C O3' 47 2.412 2.031 1.893
3C C2' 48 2.193 2.141 1.866
3C C1' 49 2.128 2.197 1.991
3C N1 50 2.020 2.289 1.952
3C C2 51 1.891 2.258 1.982
3C O2 52 1.868 2.151 2.038
3C N3 53 1.793 2.345 1.950
3C C4 54 1.822 2.460 1.890
3C N4 55 1.722 2.550 1.863
3C C5 56 1.953 2.494 1.857
3C C6 57 2.054 2.405 1.890
4G P 58 2.425 1.941 1.762
4G OP1 59 2.542 1.853 1.776
4G OP2 60 2.421 2.030 1.644
4G O5' 61 2.293 1.854 1.767
4G C5' 62 2.271 1.762 1.875
4G C4' 63 2.139 1.696 1.850
4G O4' 64 2.035 1.795 1.850
4G C3' 65 2.126 1.623 1.718
4G O3' 66 2.028 1.521 1.724
4G C2' 67 2.079 1.737 1.629
4G C1' 68 1.972 1.790 1.722
4G N9 69 1.931 1.928 1.687
4G C8 70 2.002 2.026 1.623
4G N7 71 1.931 2.139 1.608
4G C5 72 1.812 2.110 1.664
4G C6 73 1.695 2.190 1.675
4G O6 74 1.677 2.306 1.637
4G N1 75 1.593 2.121 1.735
4G C2 76 1.597 1.993 1.782
4G N2 77 1.483 1.942 1.835
4G N3 78 1.707 1.918 1.772
4G C4 79 1.808 1.983 1.712
5A P 80 2.036 1.397 1.625
5A OP1 81 2.112 1.289 1.689
5A OP2 82 2.084 1.442 1.491
5A O5' 83 1.881 1.358 1.616
5A C5' 84 1.801 1.357 1.736
5A C4' 85 1.667 1.409 1.696
5A O4' 86 1.684 1.545 1.656
5A C3' 87 1.602 1.339 1.576
5A O3' 88 1.476 1.280 1.612
5A C2' 89 1.595 1.450 1.470
5A C1' 90 1.585 1.573 1.557
5A N9 91 1.639 1.692 1.487
5A C8 92 1.766 1.710 1.438
5A N7 93 1.786 1.835 1.391
5A C5 94 1.667 1.895 1.410
5A C6 95 1.623 2.028 1.382
5A N6 96 1.705 2.122 1.327
5A N1 97 1.497 2.058 1.412
5A C2 98 1.418 1.965 1.467
5A N3 99 1.446 1.839 1.498
5A C4 100 1.575 1.811 1.466
6A P 101 1.387 1.201 1.506
6A OP1 102 1.303 1.104 1.580
6A OP2 103 1.472 1.150 1.397
6A O5' 104 1.288 1.311 1.448
6A C5' 105 1.180 1.360 1.529
6A C4' 106 1.111 1.460 1.444
6A O4' 107 1.215 1.546 1.396
6A C3' 108 1.042 1.407 1.319
6A O3' 109 0.901 1.437 1.318
6A C2' 110 1.124 1.469 1.206
6A C1' 111 1.170 1.597 1.272
6A N9 112 1.292 1.653 1.208
6A C8 113 1.411 1.590 1.187
6A N7 114 1.505 1.671 1.136
6A C5 115 1.442 1.790 1.125
6A C6 116 1.487 1.919 1.081
6A N6 117 1.616 1.942 1.043
6A N1 118 1.400 2.019 1.085
6A C2 119 1.275 1.996 1.127
6A N3 120 1.221 1.882 1.170
6A C4 121 1.312 1.782 1.166
7T P 122 0.808 1.405 1.191
7T OP1 123 0.667 1.396 1.234
7T OP2 124 0.860 1.289 1.114
7T O5' 125 0.824 1.539 1.108
7T C5' 126 0.791 1.664 1.169
7T C4' 127 0.816 1.763 1.060
7T O4' 128 0.954 1.758 1.028
7T C3' 129 0.746 1.728 0.930
7T O3' 130 0.625 1.803 0.916
7T C2' 131 0.853 1.753 0.822
7T C1' 132 0.964 1.821 0.902
7T N1 133 1.102 1.790 0.856
7T C2 134 1.182 1.892 0.818
7T O2 135 1.138 2.008 0.814
7T N3 136 1.312 1.864 0.785
7T C4 137 1.363 1.737 0.788
7T O4 138 1.483 1.722 0.762
7T C5 139 1.278 1.633 0.823
7T C7 140 1.327 1.490 0.824
7T C6 141 1.147 1.662 0.859
8T P 142 0.538 1.799 0.782
8T OP1 143 0.403 1.844 0.818
8T OP2 144 0.546 1.667 0.716
8T O5' 145 0.609 1.912 0.693
8T C5' 146 0.615 2.048 0.742
8T C4' 147 0.699 2.123 0.644
8T O4' 148 0.819 2.046 0.628
8T C3' 149 0.642 2.133 0.503
8T O3' 150 0.597 2.267 0.470
8T C2' 151 0.751 2.072 0.414
8T C1' 152 0.874 2.085 0.503
8T N1 153 0.982 1.988 0.476
8T C2 154 1.109 2.032 0.449
8T O2 155 1.132 2.152 0.439
8T N3 156 1.209 1.940 0.441
8T C4 157 1.188 1.806 0.455
8T O4 158 1.286 1.732 0.450
8T C5 159 1.057 1.761 0.476
8T C7 160 1.026 1.614 0.490
8T C6 161 0.955 1.855 0.490
9C P 162 0.553 2.307 0.321
9C OP1 163 0.465 2.424 0.327
9C OP2 164 0.501 2.191 0.247
9C O5' 165 0.693 2.355 0.261
9C C5' 166 0.764 2.463 0.325
9C C4' 167 0.890 2.485 0.246
9C O4' 168 0.964 2.363 0.245
9C C3' 169 0.872 2.524 0.100
9C O3' 170 0.947 2.641 0.067
9C C2' 171 0.913 2.397 0.025
9C C1' 172 1.024 2.348 0.116
9C N1 173 1.052 2.202 0.101
9C C2 174 1.181 2.160 0.084
9C O2 175 1.269 2.245 0.067
9C N3 176 1.211 2.030 0.087
9C C4 177 1.114 1.940 0.105
9C N4 178 1.146 1.808 0.109
9C C5 179 0.980 1.977 0.118
9C C6 180 0.950 2.113 0.117
10G P 181 0.906 2.733 -0.058
10G OP1 182 0.950 2.872 -0.026
10G OP2 183 0.763 2.711 -0.095
10G O5' 184 0.995 2.676 -0.177
10G C5' 185 1.138 2.694 -0.172
10G C4' 186 1.197 2.609 -0.280
10G O4' 187 1.180 2.472 -0.240
10G C3' 188 1.133 2.618 -0.419
10G O3' 189 1.231 2.610 -0.521
10G C2' 190 1.041 2.496 -0.419
10G C1' 191 1.143 2.403 -0.359
10G N9 192 1.089 2.271 -0.320
10G C8 193 0.962 2.232 -0.291
10G N7 194 0.954 2.101 -0.261
10G C5 195 1.082 2.059 -0.272
10G C6 196 1.138 1.929 -0.251
10G O6 197 1.081 1.825 -0.218
10G N1 198 1.273 1.930 -0.272
10G C2 199 1.350 2.036 -0.308
10G N2 200 1.483 2.017 -0.324
10G N3 201 1.298 2.157 -0.327
10G C4 202 1.166 2.160 -0.306
11C P 203 1.276 2.742 -0.598
11C OP1 204 1.280 2.857 -0.505
11C OP2 205 1.189 2.754 -0.716
11C O5' 206 1.427 2.709 -0.637
11C C5' 207 1.527 2.711 -0.532
11C C4' 208 1.622 2.595 -0.551
11C O4' 209 1.544 2.475 -0.540
11C C3' 210 1.694 2.583 -0.685
11C O3' 211 1.834 2.551 -0.670
11C C2' 212 1.612 2.477 -0.758
11C C1' 213 1.586 2.384 -0.641
11C N1 214 1.467 2.298 -0.664
11C C2 215 1.480 2.163 -0.653
11C O2 216 1.592 2.118 -0.631
11C N3 217 1.372 2.084 -0.663
11C C4 218 1.252 2.137 -0.684
11C N4 219 1.141 2.057 -0.687
11C C5 220 1.235 2.274 -0.698
11C C6 221 1.347 2.356 -0.687
12G P 222 1.933 2.577 -0.793
12G OP1 223 2.070 2.598 -0.741
12G OP2 224 1.876 2.685 -0.876
12G O5' 225 1.930 2.441 -0.876
12G C5' 226 2.011 2.328 -0.836
12G C4' 227 1.975 2.217 -0.930
12G O4' 228 1.835 2.197 -0.914
12G C3' 229 1.992 2.240 -1.081
12G O3' 230 2.099 2.164 -1.140
12G C2' 231 1.853 2.206 -1.138
12G C1' 232 1.797 2.120 -1.027
12G N9 233 1.649 2.122 -1.027
12G C8 234 1.566 2.229 -1.048
12G N7 235 1.437 2.196 -1.039
12G C5 236 1.439 2.064 -1.010
12G C6 237 1.330 1.974 -0.986
12G O6 238 1.209 1.997 -0.986
12G N1 239 1.375 1.847 -0.963
12G C2 240 1.504 1.804 -0.960
12G N2 241 1.526 1.672 -0.941
12G N3 242 1.606 1.889 -0.979
12G C4 243 1.566 2.016 -1.003
13DC O5' 244 0.746 1.188 -0.907
13DC C5' 245 0.825 1.097 -0.985
13DC C4' 246 0.971 1.114 -0.951
13DC O4' 247 1.014 1.245 -0.991
13DC C3' 248 1.010 1.099 -0.806
13DC O3' 249 1.129 1.022 -0.790
13DC C2' 250 1.025 1.244 -0.761
13DC C1' 251 1.090 1.304 -0.884
13DC N1 252 1.057 1.449 -0.894
13DC C2 253 1.156 1.543 -0.901
13DC O2 254 1.273 1.507 -0.893
13DC N3 255 1.125 1.671 -0.919
13DC C4 256 0.998 1.709 -0.933
13DC N4 257 0.970 1.840 -0.959
13DC C5 258 0.894 1.616 -0.927
13DC C6 259 0.927 1.482 -0.908
14DG P 260 1.160 0.951 -0.650
14DG OP1 261 1.167 0.803 -0.666
14DG OP2 262 1.064 1.001 -0.549
14DG O5' 263 1.305 1.009 -0.618
14DG C5' 264 1.410 1.002 -0.716
14DG C4' 265 1.511 1.099 -0.666
14DG O4' 266 1.456 1.230 -0.676
14DG C3' 267 1.544 1.081 -0.519
14DG O3' 268 1.684 1.056 -0.501
14DG C2' 269 1.494 1.210 -0.453
14DG C1' 270 1.506 1.309 -0.567
14DG N9 271 1.404 1.414 -0.554
14DG C8 272 1.271 1.396 -0.526
14DG N7 273 1.202 1.510 -0.527
14DG C5 274 1.294 1.604 -0.556
14DG C6 275 1.276 1.745 -0.571
14DG O6 276 1.172 1.811 -0.563
14DG N1 277 1.395 1.808 -0.597
14DG C2 278 1.517 1.749 -0.611
14DG N2 279 1.624 1.829 -0.632
14DG N3 280 1.533 1.616 -0.599
14DG C4 281 1.418 1.550 -0.572
15DC P 282 1.748 1.038 -0.357
15DC OP1 283 1.867 0.952 -0.373
15DC OP2 284 1.643 0.994 -0.263
15DC O5' 285 1.796 1.186 -0.321
15DC C5' 286 1.896 1.253 -0.400
15DC C4' 287 1.894 1.396 -0.354
15DC O4' 288 1.759 1.441 -0.362
15DC C3' 289 1.925 1.414 -0.207
15DC O3' 290 2.066 1.422 -0.186
15DC C2' 291 1.852 1.542 -0.173
15DC C1' 292 1.755 1.560 -0.287
15DC N1 293 1.615 1.570 -0.243
15DC C2 294 1.551 1.689 -0.256
15DC O2 295 1.616 1.785 -0.296
15DC N3 296 1.421 1.698 -0.226
15DC C4 297 1.354 1.592 -0.183
15DC N4 298 1.220 1.602 -0.155
15DC C5 299 1.416 1.469 -0.165
15DC C6 300 1.551 1.458 -0.198
16DG P 301 2.130 1.453 -0.044
16DG OP1 302 2.270 1.409 -0.052
16DG OP2 303 2.049 1.395 0.065
16DG O5' 304 2.131 1.612 -0.036
16DG C5' 305 2.218 1.688 -0.121
16DG C4' 306 2.174 1.829 -0.102
16DG O4' 307 2.031 1.823 -0.105
16DG C3' 308 2.210 1.896 0.029
16DG O3' 309 2.259 2.029 0.010
16DG C2' 310 2.082 1.883 0.112
16DG C1' 311 1.976 1.899 0.005
16DG N9 312 1.851 1.830 0.047
16DG C8 313 1.836 1.706 0.104
16DG N7 314 1.708 1.674 0.128
16DG C5 315 1.640 1.783 0.087
16DG C6 316 1.500 1.809 0.088
16DG O6 317 1.408 1.738 0.128
16DG N1 318 1.471 1.935 0.042
16DG C2 319 1.561 2.027 -0.003
16DG N2 320 1.513 2.149 -0.038
16DG N3 321 1.691 2.002 -0.007
16DG C4 322 1.724 1.879 0.038
17DA P 323 2.290 2.124 0.134
17DA OP1 324 2.399 2.218 0.102
17DA OP2 325 2.310 2.039 0.254
17DA O5' 326 2.158 2.211 0.139
17DA C5' 327 2.122 2.283 0.020
17DA C4' 328 2.010 2.379 0.048
17DA O4' 329 1.891 2.305 0.082
17DA C3' 330 2.035 2.474 0.163
17DA O3' 331 1.973 2.601 0.141
17DA C2' 332 1.975 2.394 0.279
17DA C1' 333 1.850 2.339 0.214
17DA N9 334 1.808 2.209 0.276
17DA C8 335 1.885 2.102 0.313
17DA N7 336 1.811 1.998 0.358
17DA C5 337 1.684 2.042 0.349
17DA C6 338 1.558 1.982 0.379
17DA N6 339 1.545 1.854 0.424
17DA N1 340 1.448 2.056 0.359
17DA C2 341 1.460 2.180 0.312
17DA N3 342 1.570 2.247 0.278
17DA C4 343 1.679 2.171 0.300
18DA P 344 1.980 2.714 0.253
18DA OP1 345 1.980 2.848 0.189
18DA OP2 346 2.095 2.686 0.343
18DA O5' 347 1.840 2.694 0.324
18DA C5' 348 1.720 2.703 0.245
18DA C4' 349 1.603 2.696 0.339
18DA O4' 350 1.586 2.561 0.385
18DA C3' 351 1.610 2.786 0.461
18DA O3' 352 1.489 2.861 0.476
18DA C2' 353 1.637 2.684 0.572
18DA C1' 354 1.556 2.566 0.524
18DA N9 355 1.610 2.437 0.576
18DA C8 356 1.741 2.397 0.583
18DA N7 357 1.754 2.271 0.628
18DA C5 358 1.627 2.231 0.648
18DA C6 359 1.572 2.107 0.693
18DA N6 360 1.648 1.999 0.724
18DA N1 361 1.439 2.099 0.704
18DA C2 362 1.364 2.204 0.671
18DA N3 363 1.402 2.323 0.626
18DA C4 364 1.537 2.329 0.617
19DT P 365 1.460 2.955 0.602
19DT OP1 366 1.379 3.070 0.558
19DT OP2 367 1.585 2.984 0.675
19DT O5' 368 1.363 2.863 0.689
19DT C5' 369 1.240 2.817 0.630
19DT C4' 370 1.181 2.722 0.730
19DT O4' 371 1.277 2.618 0.753
19DT C3' 372 1.152 2.782 0.867
19DT O3' 373 1.010 2.795 0.889
19DT C2' 374 1.227 2.691 0.963
19DT C1' 375 1.243 2.565 0.880
19DT N1 376 1.361 2.485 0.920
19DT C2 377 1.344 2.358 0.966
19DT O2 378 1.231 2.310 0.980
19DT N3 379 1.455 2.283 0.991
19DT C4 380 1.581 2.332 0.978
19DT O4 381 1.675 2.257 1.003
19DT C5 382 1.597 2.465 0.936
19DT C7 383 1.734 2.524 0.923
19DT C6 384 1.484 2.541 0.905
20DT P 385 0.951 2.853 1.026
20DT OP1 386 0.815 2.901 1.000
20DT OP2 387 1.045 2.951 1.084
20DT O5' 388 0.940 2.722 1.115
20DT C5' 389 0.858 2.615 1.066
20DT C4' 390 0.865 2.506 1.168
20DT O4' 391 1.000 2.461 1.176
20DT C3' 392 0.827 2.547 1.309
20DT O3' 393 0.720 2.466 1.355
20DT C2' 394 0.959 2.531 1.386
20DT C1' 395 1.019 2.415 1.309
20DT N1 396 1.166 2.407 1.320
20DT C2 397 1.226 2.288 1.349
20DT O2 398 1.158 2.187 1.369
20DT N3 399 1.362 2.283 1.350
20DT C4 400 1.440 2.391 1.323
20DT O4 401 1.562 2.376 1.325
20DT C5 402 1.377 2.513 1.293
20DT C7 403 1.456 2.636 1.261
20DT C6 404 1.239 2.519 1.293
21DC P 405 0.659 2.482 1.502
21DC OP1 406 0.517 2.442 1.499
21DC OP2 407 0.687 2.619 1.551
21DC O5' 408 0.741 2.373 1.584
21DC C5' 409 0.733 2.235 1.543
21DC C4' 410 0.810 2.160 1.646
21DC O4' 411 0.948 2.190 1.626
21DC C3' 412 0.777 2.205 1.788
21DC O3' 413 0.704 2.104 1.861
21DC C2' 414 0.912 2.241 1.847
21DC C1' 415 1.011 2.174 1.752
21DC N1 416 1.133 2.256 1.733
21DC C2 417 1.253 2.194 1.733
21DC O2 418 1.256 2.073 1.758
21DC N3 419 1.364 2.264 1.703
21DC C4 420 1.356 2.394 1.674
21DC N4 421 1.469 2.463 1.640
21DC C5 422 1.234 2.461 1.674
21DC C6 423 1.119 2.388 1.703
22DG P 424 0.651 2.132 2.010
22DG OP1 425 0.539 2.040 2.040
22DG OP2 426 0.624 2.277 2.031
22DG O5' 427 0.777 2.092 2.099
22DG C5' 428 0.822 1.956 2.107
22DG C4' 429 0.942 1.956 2.198
22DG O4' 430 1.049 2.026 2.132
22DG C3' 431 0.927 2.027 2.333
22DG O3' 432 1.009 1.966 2.429
22DG C2' 433 0.975 2.167 2.299
22DG C1' 434 1.099 2.123 2.226
22DG N9 435 1.160 2.236 2.154
22DG C8 436 1.104 2.355 2.116
22DG N7 437 1.192 2.436 2.057
22DG C5 438 1.307 2.365 2.058
22DG C6 439 1.437 2.400 2.010
22DG O6 440 1.475 2.506 1.958
22DG N1 441 1.527 2.298 2.031
22DG C2 442 1.502 2.178 2.089
22DG N2 443 1.607 2.091 2.104
22DG N3 444 1.381 2.145 2.135
22DG C4 445 1.290 2.243 2.115
23DC P 446 0.948 1.863 2.534
23DC OP1 447 0.877 1.753 2.463
23DC OP2 448 0.867 1.941 2.631
23DC O5' 449 1.081 1.807 2.603
23DC C5' 450 1.169 1.717 2.531
23DC C4' 451 1.311 1.757 2.559
23DC O4' 452 1.328 1.880 2.489
23DC C3' 453 1.344 1.788 2.706
23DC O3' 454 1.434 1.694 2.768
23DC C2' 455 1.393 1.932 2.702
23DC C1' 456 1.431 1.951 2.557
23DC N1 457 1.414 2.093 2.517
23DC C2 458 1.520 2.159 2.463
23DC O2 459 1.626 2.098 2.450
23DC N3 460 1.507 2.288 2.426
23DC C4 461 1.390 2.351 2.440
23DC N4 462 1.377 2.481 2.402
23DC C5 463 1.280 2.287 2.497
23DC C6 464 1.294 2.154 2.536
24DG P 465 1.466 1.706 2.925
24DG OP1 466 1.486 1.572 2.983
24DG OP2 467 1.363 1.791 2.992
24DG O5' 468 1.603 1.788 2.928
24DG C5' 469 1.724 1.732 2.874
24DG C4' 470 1.821 1.846 2.876
24DG O4' 471 1.772 1.943 2.783
24DG C3' 472 1.823 1.924 3.006
24DG O3' 473 1.898 1.858 3.108
24DG C2' 474 1.889 2.052 2.958
24DG C1' 475 1.828 2.069 2.819
24DG N9 476 1.716 2.166 2.814
24DG C8 477 1.587 2.154 2.858
24DG N7 478 1.513 2.261 2.831
24DG C5 479 1.599 2.344 2.767
24DG C6 480 1.577 2.473 2.712
24DG O6 481 1.472 2.537 2.707
24DG N1 482 1.693 2.526 2.660
24DG C2 483 1.816 2.467 2.658
24DG N2 484 1.921 2.539 2.610
24DG N3 485 1.835 2.344 2.705
24DG C4 486 1.723 2.289 2.757
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
regtest/basic/rt66dna/1bna.pdb 0 → 100644
+ 488
− 0
View file @ 0220f97d
CRYST1 0.000 0.000 0.000 90.00 90.00 90.00 P 1 1
ATOM 1 O5' C A 1 18.935 34.195 25.617 1.00 64.35 O
ATOM 2 C5' C A 1 19.130 33.921 24.219 1.00 44.69 C
ATOM 3 C4' C A 1 19.961 32.668 24.100 1.00 31.28 C
ATOM 4 O4' C A 1 19.360 31.583 24.852 1.00 37.45 O
ATOM 5 C3' C A 1 20.172 32.122 22.694 1.00 46.72 C
ATOM 6 O3' C A 1 21.350 31.325 22.681 1.00 48.89 O
ATOM 7 C2' C A 1 18.948 31.223 22.647 1.00 30.88 C
ATOM 8 C1' C A 1 19.231 30.482 23.944 1.00 36.58 C
ATOM 9 N1 C A 1 18.070 29.661 24.380 1.00 40.51 N
ATOM 10 C2 C A 1 18.224 28.454 25.015 1.00 16.62 C
ATOM 11 O2 C A 1 19.360 28.014 25.214 1.00 27.75 O
ATOM 12 N3 C A 1 17.143 27.761 25.377 1.00 20.55 N
ATOM 13 C4 C A 1 15.917 28.226 25.120 1.00 34.72 C
ATOM 14 N4 C A 1 14.828 27.477 25.444 1.00 40.31 N
ATOM 15 C5 C A 1 15.719 29.442 24.471 1.00 30.78 C
ATOM 16 C6 C A 1 16.843 30.171 24.101 1.00 25.90 C
ATOM 17 P G A 2 22.409 31.286 21.483 1.00 58.85 P
ATOM 18 OP1 G A 2 23.536 32.157 21.851 1.00 57.82 O
ATOM 19 OP2 G A 2 21.822 31.459 20.139 1.00 78.33 O
ATOM 20 O5' G A 2 22.840 29.751 21.498 1.00 40.36 O
ATOM 21 C5' G A 2 23.543 29.175 22.594 1.00 47.19 C
ATOM 22 C4' G A 2 23.494 27.709 22.279 1.00 47.81 C
ATOM 23 O4' G A 2 22.193 27.252 22.674 1.00 38.76 O
ATOM 24 C3' G A 2 23.693 27.325 20.807 1.00 28.58 C
ATOM 25 O3' G A 2 24.723 26.320 20.653 1.00 40.44 O
ATOM 26 C2' G A 2 22.273 26.885 20.416 1.00 21.14 C
ATOM 27 C1' G A 2 21.721 26.304 21.716 1.00 33.95 C
ATOM 28 N9 G A 2 20.237 26.470 21.780 1.00 34.00 N
ATOM 29 C8 G A 2 19.526 27.584 21.429 1.00 36.47 C
ATOM 30 N7 G A 2 18.207 27.455 21.636 1.00 32.37 N
ATOM 31 C5 G A 2 18.083 26.212 22.142 1.00 15.06 C
ATOM 32 C6 G A 2 16.904 25.525 22.545 1.00 11.88 C
ATOM 33 O6 G A 2 15.739 25.916 22.518 1.00 21.30 O
ATOM 34 N1 G A 2 17.197 24.279 23.037 1.00 15.44 N
ATOM 35 C2 G A 2 18.434 23.717 23.155 1.00 9.63 C
ATOM 36 N2 G A 2 18.508 22.456 23.668 1.00 16.69 N
ATOM 37 N3 G A 2 19.537 24.360 22.770 1.00 30.98 N
ATOM 38 C4 G A 2 19.290 25.594 22.274 1.00 18.56 C
ATOM 39 P C A 3 25.064 25.621 19.252 1.00 44.67 P
ATOM 40 OP1 C A 3 26.506 25.316 19.220 1.00 53.89 O
ATOM 41 OP2 C A 3 24.559 26.412 18.115 1.00 57.79 O
ATOM 42 O5' C A 3 24.260 24.246 19.327 1.00 35.42 O
ATOM 43 C5' C A 3 24.584 23.285 20.335 1.00 45.75 C
ATOM 44 C4' C A 3 23.523 22.233 20.245 1.00 43.02 C
ATOM 45 O4' C A 3 22.256 22.844 20.453 1.00 36.85 O
ATOM 46 C3' C A 3 23.424 21.557 18.903 1.00 40.14 C
ATOM 47 O3' C A 3 24.121 20.309 18.928 1.00 49.62 O
ATOM 48 C2' C A 3 21.930 21.406 18.661 1.00 53.79 C
ATOM 49 C1' C A 3 21.278 21.966 19.909 1.00 22.18 C
ATOM 50 N1 C A 3 20.196 22.889 19.521 1.00 25.44 N
ATOM 51 C2 C A 3 18.909 22.584 19.816 1.00 19.81 C
ATOM 52 O2 C A 3 18.685 21.512 20.382 1.00 29.92 O
ATOM 53 N3 C A 3 17.935 23.447 19.502 1.00 21.59 N
ATOM 54 C4 C A 3 18.217 24.603 18.897 1.00 14.01 C
ATOM 55 N4 C A 3 17.221 25.499 18.629 1.00 26.88 N
ATOM 56 C5 C A 3 19.526 24.945 18.571 1.00 27.59 C
ATOM 57 C6 C A 3 20.537 24.048 18.899 1.00 27.05 C
ATOM 58 P G A 4 24.249 19.412 17.617 1.00 44.54 P
ATOM 59 OP1 G A 4 25.420 18.535 17.765 1.00 61.90 O
ATOM 60 OP2 G A 4 24.208 20.296 16.440 1.00 37.36 O
ATOM 61 O5' G A 4 22.931 18.537 17.670 1.00 32.01 O
ATOM 62 C5' G A 4 22.714 17.625 18.753 1.00 37.89 C
ATOM 63 C4' G A 4 21.393 16.960 18.505 1.00 53.00 C
ATOM 64 O4' G A 4 20.353 17.952 18.496 1.00 38.79 O
ATOM 65 C3' G A 4 21.264 16.229 17.176 1.00 56.72 C
ATOM 66 O3' G A 4 20.284 15.214 17.238 1.00 64.12 O
ATOM 67 C2' G A 4 20.793 17.368 16.288 1.00 40.81 C
ATOM 68 C1' G A 4 19.716 17.901 17.218 1.00 30.52 C
ATOM 69 N9 G A 4 19.305 19.281 16.869 1.00 28.53 N
ATOM 70 C8 G A 4 20.017 20.263 16.232 1.00 27.82 C
ATOM 71 N7 G A 4 19.313 21.394 16.077 1.00 28.01 N
ATOM 72 C5 G A 4 18.121 21.100 16.635 1.00 23.22 C
ATOM 73 C6 G A 4 16.952 21.904 16.749 1.00 29.21 C
ATOM 74 O6 G A 4 16.769 23.057 16.368 1.00 38.58 O
ATOM 75 N1 G A 4 15.933 21.214 17.352 1.00 27.94 N
ATOM 76 C2 G A 4 15.972 19.930 17.816 1.00 23.44 C
ATOM 77 N2 G A 4 14.831 19.416 18.353 1.00 42.64 N
ATOM 78 N3 G A 4 17.068 19.179 17.717 1.00 21.56 N
ATOM 79 C4 G A 4 18.084 19.825 17.121 1.00 23.44 C
ATOM 80 P A A 5 20.356 13.969 16.245 1.00 57.01 P
ATOM 81 OP1 A A 5 21.116 12.891 16.892 1.00 58.59 O
ATOM 82 OP2 A A 5 20.837 14.423 14.910 1.00 51.96 O
ATOM 83 O5' A A 5 18.810 13.581 16.161 1.00 47.12 O
ATOM 84 C5' A A 5 18.015 13.569 17.362 1.00 47.67 C
ATOM 85 C4' A A 5 16.672 14.088 16.957 1.00 64.79 C
ATOM 86 O4' A A 5 16.842 15.447 16.561 1.00 47.60 O
ATOM 87 C3' A A 5 16.019 13.393 15.764 1.00 51.50 C
ATOM 88 O3' A A 5 14.762 12.796 16.120 1.00 52.18 O
ATOM 89 C2' A A 5 15.952 14.498 14.696 1.00 45.00 C
ATOM 90 C1' A A 5 15.851 15.732 15.569 1.00 26.88 C
ATOM 91 N9 A A 5 16.391 16.916 14.867 1.00 16.69 N
ATOM 92 C8 A A 5 17.658 17.103 14.382 1.00 28.14 C
ATOM 93 N7 A A 5 17.863 18.346 13.913 1.00 34.85 N
ATOM 94 C5 A A 5 16.673 18.953 14.098 1.00 22.49 C
ATOM 95 C6 A A 5 16.230 20.279 13.819 1.00 18.12 C
ATOM 96 N6 A A 5 17.045 21.222 13.268 1.00 29.30 N
ATOM 97 N1 A A 5 14.966 20.578 14.118 1.00 27.61 N
ATOM 98 C2 A A 5 14.178 19.652 14.669 1.00 18.53 C
ATOM 99 N3 A A 5 14.463 18.392 14.984 1.00 29.16 N
ATOM 100 C4 A A 5 15.750 18.110 14.661 1.00 15.08 C
ATOM 101 P A A 6 13.866 12.006 15.063 1.00 43.68 P
ATOM 102 OP1 A A 6 13.028 11.039 15.800 1.00 42.55 O
ATOM 103 OP2 A A 6 14.715 11.499 13.968 1.00 54.20 O
ATOM 104 O5' A A 6 12.879 13.111 14.480 1.00 28.20 O
ATOM 105 C5' A A 6 11.802 13.597 15.290 1.00 42.29 C
ATOM 106 C4' A A 6 11.111 14.603 14.435 1.00 33.23 C
ATOM 107 O4' A A 6 12.152 15.460 13.962 1.00 41.48 O
ATOM 108 C3' A A 6 10.417 14.070 13.187 1.00 18.16 C
ATOM 109 O3' A A 6 9.007 14.369 13.181 1.00 30.42 O
ATOM 110 C2' A A 6 11.240 14.692 12.061 1.00 52.97 C
ATOM 111 C1' A A 6 11.699 15.974 12.719 1.00 38.93 C
ATOM 112 N9 A A 6 12.918 16.526 12.078 1.00 19.06 N
ATOM 113 C8 A A 6 14.115 15.899 11.868 1.00 17.83 C
ATOM 114 N7 A A 6 15.049 16.714 11.356 1.00 29.55 N
ATOM 115 C5 A A 6 14.416 17.901 11.246 1.00 19.88 C
ATOM 116 C6 A A 6 14.873 19.187 10.815 1.00 17.26 C
ATOM 117 N6 A A 6 16.161 19.418 10.427 1.00 19.85 N
ATOM 118 N1 A A 6 13.999 20.191 10.852 1.00 17.93 N
ATOM 119 C2 A A 6 12.753 19.962 11.272 1.00 23.00 C
ATOM 120 N3 A A 6 12.210 18.824 11.698 1.00 21.37 N
ATOM 121 C4 A A 6 13.116 17.823 11.657 1.00 15.93 C
ATOM 122 P T A 7 8.081 14.050 11.915 1.00 40.72 P
ATOM 123 OP1 T A 7 6.668 13.960 12.342 1.00 46.75 O
ATOM 124 OP2 T A 7 8.600 12.894 11.137 1.00 42.53 O
ATOM 125 O5' T A 7 8.239 15.387 11.076 1.00 35.21 O
ATOM 126 C5' T A 7 7.907 16.635 11.686 1.00 34.88 C
ATOM 127 C4' T A 7 8.162 17.628 10.598 1.00 31.45 C
ATOM 128 O4' T A 7 9.543 17.580 10.279 1.00 46.82 O
ATOM 129 C3' T A 7 7.461 17.284 9.296 1.00 23.76 C
ATOM 130 O3' T A 7 6.251 18.034 9.162 1.00 44.27 O
ATOM 131 C2' T A 7 8.532 17.527 8.223 1.00 26.30 C
ATOM 132 C1' T A 7 9.644 18.209 9.019 1.00 28.96 C
ATOM 133 N1 T A 7 11.021 17.903 8.565 1.00 20.47 N
ATOM 134 C2 T A 7 11.822 18.923 8.176 1.00 28.01 C
ATOM 135 O2 T A 7 11.383 20.077 8.143 1.00 40.01 O
ATOM 136 N3 T A 7 13.119 18.641 7.852 1.00 27.94 N
ATOM 137 C4 T A 7 13.633 17.372 7.882 1.00 15.14 C
ATOM 138 O4 T A 7 14.830 17.222 7.619 1.00 32.54 O
ATOM 139 C5 T A 7 12.781 16.325 8.235 1.00 10.83 C
ATOM 140 C7 T A 7 13.269 14.902 8.236 1.00 36.33 C
ATOM 141 C6 T A 7 11.465 16.616 8.594 1.00 12.19 C
ATOM 142 P T A 8 5.384 17.990 7.824 1.00 49.10 P
ATOM 143 OP1 T A 8 4.025 18.444 8.180 1.00 41.11 O
ATOM 144 OP2 T A 8 5.458 16.668 7.160 1.00 39.21 O
ATOM 145 O5' T A 8 6.086 19.118 6.927 1.00 48.80 O
ATOM 146 C5' T A 8 6.146 20.478 7.418 1.00 34.73 C
ATOM 147 C4' T A 8 6.995 21.229 6.438 1.00 28.73 C
ATOM 148 O4' T A 8 8.188 20.458 6.284 1.00 39.07 O
ATOM 149 C3' T A 8 6.418 21.332 5.029 1.00 37.88 C
ATOM 150 O3' T A 8 5.967 22.667 4.696 1.00 52.04 O
ATOM 151 C2' T A 8 7.513 20.718 4.139 1.00 32.80 C
ATOM 152 C1' T A 8 8.736 20.855 5.034 1.00 36.58 C
ATOM 153 N1 T A 8 9.823 19.876 4.759 1.00 24.57 N
ATOM 154 C2 T A 8 11.086 20.316 4.494 1.00 19.41 C
ATOM 155 O2 T A 8 11.324 21.516 4.389 1.00 32.74 O
ATOM 156 N3 T A 8 12.094 19.403 4.412 1.00 25.12 N
ATOM 157 C4 T A 8 11.876 18.060 4.551 1.00 31.35 C
ATOM 158 O4 T A 8 12.858 17.317 4.503 1.00 28.53 O
ATOM 159 C5 T A 8 10.569 17.611 4.765 1.00 22.80 C
ATOM 160 C7 T A 8 10.261 16.140 4.896 1.00 24.98 C
ATOM 161 C6 T A 8 9.545 18.548 4.904 1.00 20.28 C
ATOM 162 P C A 9 5.531 23.071 3.209 1.00 48.97 P
ATOM 163 OP1 C A 9 4.648 24.244 3.269 1.00 62.33 O
ATOM 164 OP2 C A 9 5.010 21.905 2.470 1.00 51.53 O
ATOM 165 O5' C A 9 6.926 23.547 2.611 1.00 43.99 O
ATOM 166 C5' C A 9 7.636 24.627 3.249 1.00 50.86 C
ATOM 167 C4' C A 9 8.897 24.853 2.457 1.00 46.66 C
ATOM 168 O4' C A 9 9.638 23.627 2.448 1.00 42.69 O
ATOM 169 C3' C A 9 8.717 25.240 0.998 1.00 56.96 C
ATOM 170 O3' C A 9 9.470 26.414 0.667 1.00 63.54 O
ATOM 171 C2' C A 9 9.126 23.965 0.253 1.00 50.41 C
ATOM 172 C1' C A 9 10.241 23.483 1.157 1.00 41.08 C
ATOM 173 N1 C A 9 10.524 22.022 1.015 1.00 37.23 N
ATOM 174 C2 C A 9 11.814 21.603 0.840 1.00 40.54 C
ATOM 175 O2 C A 9 12.691 22.447 0.670 1.00 43.89 O
ATOM 176 N3 C A 9 12.106 20.297 0.873 1.00 32.57 N
ATOM 177 C4 C A 9 11.141 19.395 1.046 1.00 24.65 C
ATOM 178 N4 C A 9 11.461 18.075 1.089 1.00 27.84 N
ATOM 179 C5 C A 9 9.803 19.775 1.177 1.00 17.61 C
ATOM 180 C6 C A 9 9.499 21.133 1.167 1.00 30.63 C
ATOM 181 P G A 10 9.055 27.333 -0.581 1.00 65.48 P
ATOM 182 OP1 G A 10 9.496 28.717 -0.258 1.00 59.09 O
ATOM 183 OP2 G A 10 7.632 27.106 -0.947 1.00 45.71 O
ATOM 184 O5' G A 10 9.954 26.765 -1.771 1.00 70.30 O
ATOM 185 C5' G A 10 11.382 26.940 -1.720 1.00 71.73 C
ATOM 186 C4' G A 10 11.972 26.090 -2.802 1.00 58.69 C
ATOM 187 O4' G A 10 11.802 24.724 -2.404 1.00 41.03 O
ATOM 188 C3' G A 10 11.327 26.178 -4.188 1.00 45.61 C
ATOM 189 O3' G A 10 12.311 26.096 -5.214 1.00 52.70 O
ATOM 190 C2' G A 10 10.414 24.962 -4.186 1.00 36.02 C
ATOM 191 C1' G A 10 11.429 24.028 -3.587 1.00 50.90 C
ATOM 192 N9 G A 10 10.890 22.713 -3.200 1.00 45.86 N
ATOM 193 C8 G A 10 9.616 22.315 -2.910 1.00 44.49 C
ATOM 194 N7 G A 10 9.541 21.009 -2.613 1.00 39.96 N
ATOM 195 C5 G A 10 10.818 20.588 -2.718 1.00 38.99 C
ATOM 196 C6 G A 10 11.376 19.292 -2.511 1.00 35.78 C
ATOM 197 O6 G A 10 10.813 18.252 -2.179 1.00 34.90 O
ATOM 198 N1 G A 10 12.729 19.299 -2.720 1.00 23.54 N
ATOM 199 C2 G A 10 13.498 20.365 -3.082 1.00 8.73 C
ATOM 200 N2 G A 10 14.834 20.169 -3.237 1.00 23.15 N
ATOM 201 N3 G A 10 12.982 21.573 -3.267 1.00 24.68 N
ATOM 202 C4 G A 10 11.656 21.601 -3.061 1.00 31.53 C
ATOM 203 P C A 11 12.763 27.421 -5.980 1.00 60.62 P
ATOM 204 OP1 C A 11 12.796 28.572 -5.049 1.00 63.74 O
ATOM 205 OP2 C A 11 11.886 27.542 -7.164 1.00 52.44 O
ATOM 206 O5' C A 11 14.272 27.086 -6.366 1.00 57.57 O
ATOM 207 C5' C A 11 15.275 27.108 -5.318 1.00 54.70 C
ATOM 208 C4' C A 11 16.222 25.946 -5.510 1.00 72.51 C
ATOM 209 O4' C A 11 15.443 24.754 -5.397 1.00 47.18 O
ATOM 210 C3' C A 11 16.942 25.827 -6.848 1.00 29.82 C
ATOM 211 O3' C A 11 18.340 25.511 -6.701 1.00 43.53 O
ATOM 212 C2' C A 11 16.118 24.767 -7.578 1.00 51.34 C
ATOM 213 C1' C A 11 15.856 23.836 -6.414 1.00 30.07 C
ATOM 214 N1 C A 11 14.672 22.975 -6.637 1.00 23.25 N
ATOM 215 C2 C A 11 14.802 21.628 -6.529 1.00 20.38 C
ATOM 216 O2 C A 11 15.924 21.178 -6.314 1.00 38.77 O
ATOM 217 N3 C A 11 13.723 20.842 -6.627 1.00 15.92 N
ATOM 218 C4 C A 11 12.515 21.373 -6.836 1.00 15.82 C
ATOM 219 N4 C A 11 11.410 20.574 -6.872 1.00 28.04 N
ATOM 220 C5 C A 11 12.348 22.744 -6.978 1.00 26.17 C
ATOM 221 C6 C A 11 13.470 23.558 -6.869 1.00 35.50 C
ATOM 222 P G A 12 19.331 25.774 -7.925 1.00 55.98 P
ATOM 223 OP1 G A 12 20.704 25.976 -7.408 1.00 45.83 O
ATOM 224 OP2 G A 12 18.763 26.851 -8.758 1.00 44.26 O
ATOM 225 O5' G A 12 19.302 24.412 -8.763 1.00 62.63 O
ATOM 226 C5' G A 12 20.109 23.284 -8.359 1.00 69.50 C
ATOM 227 C4' G A 12 19.748 22.167 -9.299 1.00 39.92 C
ATOM 228 O4' G A 12 18.350 21.969 -9.139 1.00 32.00 O
ATOM 229 C3' G A 12 19.921 22.404 -10.815 1.00 50.39 C
ATOM 230 O3' G A 12 20.985 21.635 -11.401 1.00 64.13 O
ATOM 231 C2' G A 12 18.535 22.062 -11.381 1.00 36.18 C
ATOM 232 C1' G A 12 17.965 21.200 -10.269 1.00 24.79 C
ATOM 233 N9 G A 12 16.493 21.220 -10.265 1.00 28.44 N
ATOM 234 C8 G A 12 15.663 22.289 -10.478 1.00 31.85 C
ATOM 235 N7 G A 12 14.368 21.958 -10.390 1.00 38.26 N
ATOM 236 C5 G A 12 14.388 20.640 -10.102 1.00 28.99 C
ATOM 237 C6 G A 12 13.301 19.742 -9.856 1.00 42.63 C
ATOM 238 O6 G A 12 12.091 19.967 -9.857 1.00 49.17 O
ATOM 239 N1 G A 12 13.750 18.466 -9.625 1.00 40.15 N
ATOM 240 C2 G A 12 15.042 18.043 -9.605 1.00 33.42 C
ATOM 241 N2 G A 12 15.259 16.717 -9.406 1.00 40.53 N
ATOM 242 N3 G A 12 16.061 18.885 -9.792 1.00 37.34 N
ATOM 243 C4 G A 12 15.660 20.156 -10.027 1.00 31.14 C
ATOM 244 O5' DC B 13 7.458 11.884 -9.070 1.00 66.23 O
ATOM 245 C5' DC B 13 8.252 10.968 -9.854 1.00 71.49 C
ATOM 246 C4' DC B 13 9.714 11.141 -9.512 1.00 56.82 C
ATOM 247 O4' DC B 13 10.144 12.455 -9.908 1.00 57.92 O
ATOM 248 C3' DC B 13 10.103 10.989 -8.055 1.00 34.34 C
ATOM 249 O3' DC B 13 11.293 10.221 -7.904 1.00 42.11 O
ATOM 250 C2' DC B 13 10.254 12.437 -7.607 1.00 29.08 C
ATOM 251 C1' DC B 13 10.896 13.044 -8.837 1.00 38.40 C
ATOM 252 N1 DC B 13 10.575 14.487 -8.944 1.00 34.33 N
ATOM 253 C2 DC B 13 11.559 15.430 -9.006 1.00 22.98 C
ATOM 254 O2 DC B 13 12.725 15.066 -8.932 1.00 50.83 O
ATOM 255 N3 DC B 13 11.246 16.714 -9.193 1.00 37.14 N
ATOM 256 C4 DC B 13 9.980 17.088 -9.334 1.00 42.60 C
ATOM 257 N4 DC B 13 9.698 18.395 -9.589 1.00 54.91 N
ATOM 258 C5 DC B 13 8.939 16.162 -9.274 1.00 56.67 C
ATOM 259 C6 DC B 13 9.265 14.824 -9.080 1.00 49.21 C
ATOM 260 P DG B 14 11.602 9.510 -6.502 1.00 60.42 P
ATOM 261 OP1 DG B 14 11.666 8.032 -6.664 1.00 57.44 O
ATOM 262 OP2 DG B 14 10.644 10.010 -5.494 1.00 46.07 O
ATOM 263 O5' DG B 14 13.051 10.094 -6.177 1.00 50.94 O
ATOM 264 C5' DG B 14 14.100 10.021 -7.156 1.00 34.84 C
ATOM 265 C4' DG B 14 15.113 10.992 -6.657 1.00 48.06 C
ATOM 266 O4' DG B 14 14.556 12.300 -6.755 1.00 37.01 O
ATOM 267 C3' DG B 14 15.445 10.806 -5.189 1.00 50.58 C
ATOM 268 O3' DG B 14 16.836 10.560 -5.013 1.00 51.98 O
ATOM 269 C2' DG B 14 14.937 12.100 -4.529 1.00 40.32 C
ATOM 270 C1' DG B 14 15.058 13.086 -5.671 1.00 46.69 C
ATOM 271 N9 DG B 14 14.036 14.140 -5.536 1.00 29.17 N
ATOM 272 C8 DG B 14 12.710 13.957 -5.259 1.00 23.48 C
ATOM 273 N7 DG B 14 12.016 15.103 -5.269 1.00 37.54 N
ATOM 274 C5 DG B 14 12.937 16.041 -5.558 1.00 26.27 C
ATOM 275 C6 DG B 14 12.761 17.451 -5.710 1.00 40.82 C
ATOM 276 O6 DG B 14 11.723 18.111 -5.630 1.00 44.39 O
ATOM 277 N1 DG B 14 13.952 18.079 -5.973 1.00 19.52 N
ATOM 278 C2 DG B 14 15.171 17.485 -6.107 1.00 18.48 C
ATOM 279 N2 DG B 14 16.244 18.292 -6.325 1.00 36.58 N
ATOM 280 N3 DG B 14 15.329 16.161 -5.986 1.00 46.96 N
ATOM 281 C4 DG B 14 14.179 15.499 -5.721 1.00 35.70 C
ATOM 282 P DC B 15 17.478 10.380 -3.569 1.00 46.26 P
ATOM 283 OP1 DC B 15 18.665 9.516 -3.729 1.00 46.07 O
ATOM 284 OP2 DC B 15 16.427 9.940 -2.633 1.00 40.43 O
ATOM 285 O5' DC B 15 17.957 11.865 -3.208 1.00 40.97 O
ATOM 286 C5' DC B 15 18.963 12.531 -3.996 1.00 28.78 C
ATOM 287 C4' DC B 15 18.936 13.958 -3.536 1.00 32.84 C
ATOM 288 O4' DC B 15 17.592 14.409 -3.622 1.00 37.24 O
ATOM 289 C3' DC B 15 19.253 14.139 -2.066 1.00 43.98 C
ATOM 290 O3' DC B 15 20.659 14.219 -1.858 1.00 40.90 O
ATOM 291 C2' DC B 15 18.520 15.417 -1.728 1.00 36.26 C
ATOM 292 C1' DC B 15 17.545 15.602 -2.872 1.00 20.54 C
ATOM 293 N1 DC B 15 16.145 15.696 -2.428 1.00 23.10 N
ATOM 294 C2 DC B 15 15.507 16.886 -2.558 1.00 32.12 C
ATOM 295 O2 DC B 15 16.162 17.846 -2.957 1.00 30.04 O
ATOM 296 N3 DC B 15 14.209 16.983 -2.264 1.00 32.94 N
ATOM 297 C4 DC B 15 13.536 15.919 -1.825 1.00 16.43 C
ATOM 298 N4 DC B 15 12.205 16.017 -1.553 1.00 34.91 N
ATOM 299 C5 DC B 15 14.164 14.689 -1.652 1.00 22.75 C
ATOM 300 C6 DC B 15 15.509 14.584 -1.979 1.00 26.42 C
ATOM 301 P DG B 16 21.304 14.529 -0.436 1.00 42.39 P
ATOM 302 OP1 DG B 16 22.696 14.087 -0.524 1.00 60.41 O
ATOM 303 OP2 DG B 16 20.488 13.954 0.650 1.00 51.09 O
ATOM 304 O5' DG B 16 21.306 16.117 -0.363 1.00 45.08 O
ATOM 305 C5' DG B 16 22.177 16.876 -1.212 1.00 33.20 C
ATOM 306 C4' DG B 16 21.739 18.292 -1.021 1.00 24.95 C
ATOM 307 O4' DG B 16 20.305 18.225 -1.048 1.00 32.83 O
ATOM 308 C3' DG B 16 22.101 18.959 0.293 1.00 41.12 C
ATOM 309 O3' DG B 16 22.592 20.293 0.097 1.00 53.45 O
ATOM 310 C2' DG B 16 20.820 18.829 1.121 1.00 28.93 C
ATOM 311 C1' DG B 16 19.765 18.985 0.046 1.00 37.44 C
ATOM 312 N9 DG B 16 18.513 18.299 0.468 1.00 17.75 N
ATOM 313 C8 DG B 16 18.363 17.062 1.039 1.00 17.96 C
ATOM 314 N7 DG B 16 17.080 16.744 1.281 1.00 24.14 N
ATOM 315 C5 DG B 16 16.400 17.832 0.868 1.00 9.96 C
ATOM 316 C6 DG B 16 14.996 18.090 0.882 1.00 18.10 C
ATOM 317 O6 DG B 16 14.082 17.378 1.280 1.00 31.13 O
ATOM 318 N1 DG B 16 14.712 19.349 0.418 1.00 17.72 N
ATOM 319 C2 DG B 16 15.606 20.268 -0.027 1.00 16.23 C
ATOM 320 N2 DG B 16 15.134 21.493 -0.382 1.00 33.42 N
ATOM 321 N3 DG B 16 16.912 20.017 -0.072 1.00 26.37 N
ATOM 322 C4 DG B 16 17.236 18.794 0.384 1.00 31.72 C
ATOM 323 P DA B 17 22.904 21.238 1.339 1.00 46.87 P
ATOM 324 OP1 DA B 17 23.994 22.183 1.025 1.00 47.75 O
ATOM 325 OP2 DA B 17 23.104 20.390 2.538 1.00 46.81 O
ATOM 326 O5' DA B 17 21.577 22.107 1.390 1.00 39.51 O
ATOM 327 C5' DA B 17 21.216 22.833 0.200 1.00 30.37 C
ATOM 328 C4' DA B 17 20.101 23.788 0.484 1.00 35.43 C
ATOM 329 O4' DA B 17 18.913 23.054 0.816 1.00 43.05 O
ATOM 330 C3' DA B 17 20.347 24.743 1.633 1.00 44.50 C
ATOM 331 O3' DA B 17 19.732 26.010 1.411 1.00 78.59 O
ATOM 332 C2' DA B 17 19.752 23.945 2.791 1.00 44.42 C
ATOM 333 C1' DA B 17 18.497 23.393 2.145 1.00 42.55 C
ATOM 334 N9 DA B 17 18.079 22.095 2.758 1.00 34.56 N
ATOM 335 C8 DA B 17 18.847 21.020 3.133 1.00 20.07 C
ATOM 336 N7 DA B 17 18.114 19.984 3.584 1.00 27.60 N
ATOM 337 C5 DA B 17 16.842 20.424 3.488 1.00 18.80 C
ATOM 338 C6 DA B 17 15.577 19.817 3.786 1.00 32.58 C
ATOM 339 N6 DA B 17 15.448 18.537 4.242 1.00 29.54 N
ATOM 340 N1 DA B 17 14.482 20.557 3.593 1.00 35.01 N
ATOM 341 C2 DA B 17 14.597 21.801 3.118 1.00 36.47 C
ATOM 342 N3 DA B 17 15.700 22.472 2.783 1.00 38.96 N
ATOM 343 C4 DA B 17 16.791 21.706 3.002 1.00 28.24 C
ATOM 344 P DA B 18 19.803 27.141 2.526 1.00 46.11 P
ATOM 345 OP1 DA B 18 19.796 28.478 1.888 1.00 49.20 O
ATOM 346 OP2 DA B 18 20.953 26.858 3.426 1.00 43.48 O
ATOM 347 O5' DA B 18 18.396 26.939 3.241 1.00 40.83 O
ATOM 348 C5' DA B 18 17.203 27.028 2.452 1.00 40.72 C
ATOM 349 C4' DA B 18 16.035 26.958 3.388 1.00 66.52 C
ATOM 350 O4' DA B 18 15.856 25.612 3.850 1.00 44.25 O
ATOM 351 C3' DA B 18 16.101 27.861 4.615 1.00 63.34 C
ATOM 352 O3' DA B 18 14.890 28.608 4.757 1.00 55.65 O
ATOM 353 C2' DA B 18 16.368 26.844 5.724 1.00 34.49 C
ATOM 354 C1' DA B 18 15.561 25.655 5.243 1.00 29.45 C
ATOM 355 N9 DA B 18 16.104 24.373 5.755 1.00 20.03 N
ATOM 356 C8 DA B 18 17.411 23.967 5.830 1.00 16.51 C
ATOM 357 N7 DA B 18 17.539 22.706 6.276 1.00 20.58 N
ATOM 358 C5 DA B 18 16.266 22.309 6.480 1.00 21.66 C
ATOM 359 C6 DA B 18 15.715 21.073 6.933 1.00 17.93 C
ATOM 360 N6 DA B 18 16.483 19.994 7.243 1.00 20.37 N
ATOM 361 N1 DA B 18 14.389 20.994 7.036 1.00 20.81 N
ATOM 362 C2 DA B 18 13.636 22.041 6.708 1.00 26.77 C
ATOM 363 N3 DA B 18 14.019 23.234 6.265 1.00 26.83 N
ATOM 364 C4 DA B 18 15.367 23.291 6.174 1.00 27.48 C
ATOM 365 P DT B 19 14.604 29.545 6.020 1.00 48.40 P
ATOM 366 OP1 DT B 19 13.792 30.696 5.582 1.00 50.18 O
ATOM 367 OP2 DT B 19 15.852 29.836 6.749 1.00 44.42 O
ATOM 368 O5' DT B 19 13.633 28.628 6.885 1.00 53.86 O
ATOM 369 C5' DT B 19 12.398 28.171 6.303 1.00 55.04 C
ATOM 370 C4' DT B 19 11.809 27.217 7.302 1.00 44.86 C
ATOM 371 O4' DT B 19 12.767 26.184 7.534 1.00 48.52 O
ATOM 372 C3' DT B 19 11.515 27.822 8.669 1.00 41.77 C
ATOM 373 O3' DT B 19 10.103 27.952 8.891 1.00 57.02 O
ATOM 374 C2' DT B 19 12.267 26.906 9.630 1.00 39.28 C
ATOM 375 C1' DT B 19 12.426 25.645 8.799 1.00 27.68 C
ATOM 376 N1 DT B 19 13.609 24.850 9.205 1.00 21.67 N
ATOM 377 C2 DT B 19 13.442 23.575 9.656 1.00 31.71 C
ATOM 378 O2 DT B 19 12.311 23.101 9.802 1.00 36.00 O
ATOM 379 N3 DT B 19 14.551 22.825 9.913 1.00 24.66 N
ATOM 380 C4 DT B 19 15.815 23.321 9.777 1.00 40.64 C
ATOM 381 O4 DT B 19 16.755 22.570 10.029 1.00 31.47 O
ATOM 382 C5 DT B 19 15.972 24.647 9.362 1.00 31.79 C
ATOM 383 C7 DT B 19 17.345 25.239 9.234 1.00 30.05 C
ATOM 384 C6 DT B 19 14.844 25.405 9.048 1.00 14.35 C
ATOM 385 P DT B 20 9.513 28.533 10.260 1.00 48.24 P
ATOM 386 OP1 DT B 20 8.145 29.007 9.998 1.00 41.28 O
ATOM 387 OP2 DT B 20 10.455 29.513 10.841 1.00 53.39 O
ATOM 388 O5' DT B 20 9.395 27.223 11.153 1.00 36.57 O
ATOM 389 C5' DT B 20 8.576 26.148 10.664 1.00 50.41 C
ATOM 390 C4' DT B 20 8.655 25.060 11.678 1.00 32.08 C
ATOM 391 O4' DT B 20 10.003 24.615 11.764 1.00 48.38 O
ATOM 392 C3' DT B 20 8.272 25.471 13.087 1.00 29.99 C
ATOM 393 O3' DT B 20 7.199 24.657 13.553 1.00 45.14 O
ATOM 394 C2' DT B 20 9.586 25.307 13.860 1.00 32.42 C
ATOM 395 C1' DT B 20 10.190 24.148 13.089 1.00 39.56 C
ATOM 396 N1 DT B 20 11.660 24.070 13.205 1.00 20.36 N
ATOM 397 C2 DT B 20 12.257 22.880 13.486 1.00 27.55 C
ATOM 398 O2 DT B 20 11.583 21.866 13.691 1.00 38.33 O
ATOM 399 N3 DT B 20 13.620 22.829 13.497 1.00 29.60 N
ATOM 400 C4 DT B 20 14.402 23.914 13.225 1.00 30.11 C
ATOM 401 O4 DT B 20 15.625 23.764 13.252 1.00 32.92 O
ATOM 402 C5 DT B 20 13.774 25.126 12.933 1.00 24.11 C
ATOM 403 C7 DT B 20 14.563 26.358 12.612 1.00 23.96 C
ATOM 404 C6 DT B 20 12.385 25.187 12.926 1.00 19.78 C
ATOM 405 P DC B 21 6.594 24.823 15.016 1.00 54.73 P
ATOM 406 OP1 DC B 21 5.169 24.424 14.987 1.00 53.98 O
ATOM 407 OP2 DC B 21 6.870 26.189 15.511 1.00 65.53 O
ATOM 408 O5' DC B 21 7.409 23.731 15.839 1.00 50.67 O
ATOM 409 C5' DC B 21 7.331 22.352 15.433 1.00 60.86 C
ATOM 410 C4' DC B 21 8.100 21.598 16.461 1.00 40.86 C
ATOM 411 O4' DC B 21 9.478 21.902 16.263 1.00 36.88 O
ATOM 412 C3' DC B 21 7.766 22.045 17.879 1.00 53.80 C
ATOM 413 O3' DC B 21 7.036 21.041 18.611 1.00 79.04 O
ATOM 414 C2' DC B 21 9.123 22.414 18.469 1.00 48.43 C
ATOM 415 C1' DC B 21 10.107 21.743 17.523 1.00 36.51 C
ATOM 416 N1 DC B 21 11.328 22.556 17.331 1.00 24.72 N
ATOM 417 C2 DC B 21 12.534 21.939 17.329 1.00 30.96 C
ATOM 418 O2 DC B 21 12.560 20.731 17.579 1.00 34.53 O
ATOM 419 N3 DC B 21 13.639 22.639 17.035 1.00 31.69 N
ATOM 420 C4 DC B 21 13.560 23.938 16.739 1.00 21.53 C
ATOM 421 N4 DC B 21 14.685 24.628 16.404 1.00 23.72 N
ATOM 422 C5 DC B 21 12.338 24.609 16.736 1.00 30.74 C
ATOM 423 C6 DC B 21 11.193 23.878 17.035 1.00 27.58 C
ATOM 424 P DG B 22 6.509 21.324 20.099 1.00 56.50 P
ATOM 425 OP1 DG B 22 5.387 20.397 20.396 1.00 50.81 O
ATOM 426 OP2 DG B 22 6.235 22.774 20.306 1.00 53.84 O
ATOM 427 O5' DG B 22 7.767 20.924 20.993 1.00 66.30 O
ATOM 428 C5' DG B 22 8.216 19.559 21.073 1.00 73.42 C
ATOM 429 C4' DG B 22 9.422 19.557 21.977 1.00 42.96 C
ATOM 430 O4' DG B 22 10.493 20.260 21.319 1.00 52.87 O
ATOM 431 C3' DG B 22 9.267 20.267 23.325 1.00 38.51 C
ATOM 432 O3' DG B 22 10.088 19.657 24.293 1.00 60.28 O
ATOM 433 C2' DG B 22 9.751 21.670 22.990 1.00 22.00 C
ATOM 434 C1' DG B 22 10.988 21.226 22.256 1.00 24.85 C
ATOM 435 N9 DG B 22 11.599 22.357 21.543 1.00 25.91 N
ATOM 436 C8 DG B 22 11.037 23.545 21.159 1.00 23.91 C
ATOM 437 N7 DG B 22 11.921 24.362 20.566 1.00 39.18 N
ATOM 438 C5 DG B 22 13.072 23.653 20.580 1.00 25.66 C
ATOM 439 C6 DG B 22 14.370 24.003 20.102 1.00 28.34 C
ATOM 440 O6 DG B 22 14.747 25.057 19.585 1.00 31.85 O
ATOM 441 N1 DG B 22 15.268 22.983 20.308 1.00 25.22 N
ATOM 442 C2 DG B 22 15.023 21.776 20.891 1.00 11.07 C
ATOM 443 N2 DG B 22 16.066 20.914 21.038 1.00 25.92 N
ATOM 444 N3 DG B 22 13.815 21.452 21.350 1.00 19.05 N
ATOM 445 C4 DG B 22 12.902 22.429 21.151 1.00 23.69 C
ATOM 446 P DC B 23 9.477 18.627 25.340 1.00 55.93 P
ATOM 447 OP1 DC B 23 8.767 17.534 24.627 1.00 45.14 O
ATOM 448 OP2 DC B 23 8.670 19.409 26.312 1.00 41.61 O
ATOM 449 O5' DC B 23 10.807 18.067 26.034 1.00 59.70 O
ATOM 450 C5' DC B 23 11.688 17.170 25.310 1.00 63.13 C
ATOM 451 C4' DC B 23 13.115 17.573 25.593 1.00 27.86 C
ATOM 452 O4' DC B 23 13.284 18.804 24.893 1.00 50.51 O
ATOM 453 C3' DC B 23 13.441 17.879 27.059 1.00 46.45 C
ATOM 454 O3' DC B 23 14.341 16.938 27.677 1.00 57.21 O
ATOM 455 C2' DC B 23 13.928 19.322 27.025 1.00 68.01 C
ATOM 456 C1' DC B 23 14.312 19.508 25.568 1.00 32.05 C
ATOM 457 N1 DC B 23 14.144 20.932 25.170 1.00 23.28 N
ATOM 458 C2 DC B 23 15.199 21.595 24.630 1.00 20.62 C
ATOM 459 O2 DC B 23 16.257 20.984 24.504 1.00 29.62 O
ATOM 460 N3 DC B 23 15.067 22.877 24.257 1.00 39.00 N
ATOM 461 C4 DC B 23 13.898 23.510 24.404 1.00 30.44 C
ATOM 462 N4 DC B 23 13.771 24.813 24.018 1.00 34.66 N
ATOM 463 C5 DC B 23 12.795 22.866 24.967 1.00 27.74 C
ATOM 464 C6 DC B 23 12.935 21.540 25.359 1.00 24.58 C
ATOM 465 P DG B 24 14.658 17.064 29.247 1.00 53.70 P
ATOM 466 OP1 DG B 24 14.863 15.717 29.825 1.00 61.79 O
ATOM 467 OP2 DG B 24 13.633 17.912 29.920 1.00 36.06 O
ATOM 468 O5' DG B 24 16.033 17.880 29.284 1.00 34.06 O
ATOM 469 C5' DG B 24 17.243 17.320 28.742 1.00 46.57 C
ATOM 470 C4' DG B 24 18.208 18.464 28.758 1.00 50.89 C
ATOM 471 O4' DG B 24 17.716 19.428 27.829 1.00 32.02 O
ATOM 472 C3' DG B 24 18.230 19.236 30.058 1.00 30.38 C
ATOM 473 O3' DG B 24 18.978 18.583 31.084 1.00 61.06 O
ATOM 474 C2' DG B 24 18.885 20.519 29.578 1.00 53.33 C
ATOM 475 C1' DG B 24 18.276 20.693 28.188 1.00 35.03 C
ATOM 476 N9 DG B 24 17.164 21.659 28.139 1.00 30.25 N
ATOM 477 C8 DG B 24 15.874 21.536 28.580 1.00 30.86 C
ATOM 478 N7 DG B 24 15.129 22.614 28.308 1.00 44.08 N
ATOM 479 C5 DG B 24 15.990 23.436 27.673 1.00 16.87 C
ATOM 480 C6 DG B 24 15.765 24.729 27.117 1.00 19.36 C
ATOM 481 O6 DG B 24 14.719 25.373 27.067 1.00 33.30 O
ATOM 482 N1 DG B 24 16.926 25.257 26.604 1.00 15.78 N
ATOM 483 C2 DG B 24 18.157 24.666 26.579 1.00 11.92 C
ATOM 484 N2 DG B 24 19.208 25.386 26.096 1.00 29.76 N
ATOM 485 N3 DG B 24 18.350 23.438 27.053 1.00 21.95 N
ATOM 486 C4 DG B 24 17.231 22.893 27.570 1.00 13.89 C
END
regtest/basic/rt66dna/COLVAR.reference 0 → 100644
+ 56
− 0
View file @ 0220f97d
#! FIELDS time t2 t3 t4 t5 t5b t5c t5d t6 t7 t8 t9 t10 t12 d1 d2 puck1.phs puck1.amp puck1.Zx puck1.Zy puck2.phs puck2.amp puck2.Zx puck2.Zy puck3.phs puck3.amp puck3.Zx puck3.Zy puck4.phs puck4.amp puck4.Zx puck4.Zy puck5.phs puck5.amp puck5.Zx puck5.Zy puck6.phs puck6.amp puck6.Zx puck6.Zy puck7.phs puck7.amp puck7.Zx puck7.Zy puck8.phs puck8.amp puck8.Zx puck8.Zy puck9.phs puck9.amp puck9.Zx puck9.Zy puck10.phs puck10.amp puck10.Zx puck10.Zy puck11.phs puck11.amp puck11.Zx puck11.Zy puck12.phs puck12.amp puck12.Zx puck12.Zy puck13.phs puck13.amp puck13.Zx puck13.Zy puck14.phs puck14.amp puck14.Zx puck14.Zy
#! SET min_t2 -pi
#! SET max_t2 pi
#! SET min_t3 -pi
#! SET max_t3 pi
#! SET min_t4 -pi
#! SET max_t4 pi
#! SET min_t5 -pi
#! SET max_t5 pi
#! SET min_t5b -pi
#! SET max_t5b pi
#! SET min_t5c -pi
#! SET max_t5c pi
#! SET min_t5d -pi
#! SET max_t5d pi
#! SET min_t6 -pi
#! SET max_t6 pi
#! SET min_t7 -pi
#! SET max_t7 pi
#! SET min_t8 -pi
#! SET max_t8 pi
#! SET min_t9 -pi
#! SET max_t9 pi
#! SET min_t10 -pi
#! SET max_t10 pi
#! SET min_t12 -pi
#! SET max_t12 pi
#! SET min_puck1.phs -pi
#! SET max_puck1.phs pi
#! SET min_puck2.phs -pi
#! SET max_puck2.phs pi
#! SET min_puck3.phs -pi
#! SET max_puck3.phs pi
#! SET min_puck4.phs -pi
#! SET max_puck4.phs pi
#! SET min_puck5.phs -pi
#! SET max_puck5.phs pi
#! SET min_puck6.phs -pi
#! SET max_puck6.phs pi
#! SET min_puck7.phs -pi
#! SET max_puck7.phs pi
#! SET min_puck8.phs -pi
#! SET max_puck8.phs pi
#! SET min_puck9.phs -pi
#! SET max_puck9.phs pi
#! SET min_puck10.phs -pi
#! SET max_puck10.phs pi
#! SET min_puck11.phs -pi
#! SET max_puck11.phs pi
#! SET min_puck12.phs -pi
#! SET max_puck12.phs pi
#! SET min_puck13.phs -pi
#! SET max_puck13.phs pi
#! SET min_puck14.phs -pi
#! SET max_puck14.phs pi
0.000000 -1.1453 2.9964 1.0070 -2.2072 -2.1303 -1.9392 -1.6274 3.0344 -1.4983 -0.8659 0.7964 -0.7730 0.6787 0.3481 1.3938 2.8252 0.9996 -0.9500 0.3110 2.4585 0.7365 -0.5713 0.4649 1.6120 0.6506 -0.0268 0.6500 2.9310 0.8815 -0.8621 0.1843 2.2636 0.7972 -0.5091 0.6134 2.2463 0.8562 -0.5353 0.6682 1.7725 0.8010 -0.1604 0.7848 2.0460 0.8278 -0.3787 0.7361 2.4851 0.7967 -0.6311 0.4863 2.5826 0.9594 -0.8134 0.5088 2.6013 0.8293 -0.7111 0.4266 2.0177 0.8832 -0.3817 0.7965 2.6977 0.7686 -0.6941 0.3300 2.2730 0.7589 -0.4901 0.5794
regtest/basic/rt66dna/Makefile 0 → 100644
+ 1
− 0
View file @ 0220f97d
include ../../scripts/test.make
regtest/basic/rt66dna/config 0 → 100644
+ 3
− 0
View file @ 0220f97d
plumed_needs="cregex"
type=driver
arg="--igro 1bna.gro"
regtest/basic/rt66dna/plumed.dat 0 → 100644
+ 42
− 0
View file @ 0220f97d
MOLINFO STRUCTURE=1bna.pdb MOLTYPE=dna
DUMPATOMS FILE=o.gro ATOMS=1-486
t2: TORSION ATOMS=@alpha-2
t3: TORSION ATOMS=@beta-3
t4: TORSION ATOMS=@gamma-4
t5: TORSION ATOMS=@chi-5
t5b: TORSION ATOMS=@chi-6
t5c: TORSION ATOMS=@chi-2
t5d: TORSION ATOMS=@chi-4
t6: TORSION ATOMS=@epsilon-6
t7: TORSION ATOMS=@zeta-7
t8: TORSION ATOMS=@v0-8
t9: TORSION ATOMS=@v1-9
t10: TORSION ATOMS=@v2-10
t11: TORSION ATOMS=@v3-11
t12: TORSION ATOMS=@v4-12
c1: CENTER ATOMS=@base-4
c2: CENTER ATOMS=@base-5
d1: DISTANCE ATOMS=c1,c2
c3: CENTER ATOMS=@base-2
c4: CENTER ATOMS=@base-6
d2: DISTANCE ATOMS=c3,c4
puck1: PUCKERING ATOMS=@sugar-1
puck2: PUCKERING ATOMS=@sugar-2
puck3: PUCKERING ATOMS=@sugar-3
puck4: PUCKERING ATOMS=@sugar-4
puck5: PUCKERING ATOMS=@sugar-5
puck6: PUCKERING ATOMS=@sugar-6
puck7: PUCKERING ATOMS=@sugar-7
puck8: PUCKERING ATOMS=@sugar-8
puck9: PUCKERING ATOMS=@sugar-9
puck10: PUCKERING ATOMS=@sugar-10
puck11: PUCKERING ATOMS=@sugar-11
puck12: PUCKERING ATOMS=@sugar-12
puck13: PUCKERING ATOMS=@sugar-13
puck14: PUCKERING ATOMS=@sugar-14
PRINT ARG=t2,t3,t4,t5,t5b,t5c,t5d,t6,t7,t8,t9,t10,t12,d1,d2,(puck.*) FILE=COLVAR FMT=%7.4f
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