1trajectory generated by ptraj 2 32.555 24.652 14.213 33.138 25.217 13.612 33.031 24.009 14.828 32.085 3 25.277 14.853 31.679 23.836 13.359 30.921 23.402 14.011 30.964 24.647 4 12.253 30.499 25.490 12.765 31.682 25.024 11.526 30.208 24.103 11.687 5 32.466 22.777 12.625 33.493 23.095 12.029 32.102 21.476 12.786 31.205 6 21.220 13.172 32.714 20.316 12.237 33.791 20.475 12.291 32.291 19.121 7 13.048 31.217 18.991 12.909 32.686 18.190 12.641 32.733 19.034 14.545 8 32.223 18.207 15.039 33.789 18.836 14.358 32.557 20.221 15.407 31.427 9 20.535 15.759 33.590 20.916 15.643 32.474 20.137 10.731 33.343 19.589 10 10.092 31.242 20.429 10.275 30.654 20.816 10.999 30.711 20.093 8.969 11 31.546 19.908 8.292 29.901 18.770 9.163 30.562 17.959 9.470 29.161 12 18.862 9.959 29.334 18.145 7.866 27.986 18.298 7.644 27.371 18.867 13 8.325 27.438 17.741 6.435 26.398 17.982 6.268 28.222 16.904 5.566 14 27.740 16.497 4.690 29.611 16.748 5.848 30.242 16.141 5.216 30.154 15 17.372 6.992 31.194 17.315 7.276 29.877 21.252 8.342 29.415 22.178 16 9.003 29.581 21.218 7.017 29.977 20.439 6.510 28.751 22.181 6.206 17 28.137 22.732 6.918 29.708 23.255 5.588 30.399 23.574 6.368 30.402 18 22.765 4.905 29.059 24.447 4.894 28.021 25.291 5.406 27.726 26.213 19 4.504 26.813 26.790 4.532 28.364 25.874 3.336 28.250 26.369 2.464 20 29.209 24.830 3.628 29.925 24.388 2.951 27.866 21.646 5.129 28.092 21 20.491 4.711 26.895 22.361 4.634 26.777 23.237 5.122 26.072 22.007 22 3.467 26.661 21.525 2.686 24.998 20.856 3.766 25.554 20.026 4.202 23 24.133 21.219 4.322 24.504 20.319 2.386 24.718 21.055 1.611 25.168 24 19.491 2.138 22.994 19.982 2.231 22.846 18.908 2.341 22.416 20.476 25 3.011 22.437 20.522 1.011 22.967 21.243 0.543 21.343 20.070 0.368 26 20.712 18.996 0.698 21.015 18.604 1.578 19.929 18.545 0.247 20.852 27 20.653 -0.666 21.321 21.418 -1.129 20.078 20.244 -1.169 25.469 23.274 28 2.876 24.636 23.905 3.506 25.854 23.569 1.628 26.638 23.021 1.305 29 25.121 24.544 0.710 24.835 25.313 1.428 26.243 25.054 -0.243 26.837 30 25.700 0.404 26.765 24.188 -0.649 25.847 25.862 -1.430 26.078 25.441 31 -2.717 26.470 24.472 -2.987 25.859 26.519 -3.579 26.025 26.449 -4.573 32 25.255 27.595 -2.843 24.812 28.856 -3.218 24.835 29.143 -4.259 24.425 33 29.800 -2.283 24.137 30.782 -2.626 24.386 29.419 -0.973 23.856 29.967 34 -0.207 24.781 28.112 -0.555 24.711 27.793 0.475 25.277 27.173 -1.496 35 23.892 24.080 -0.044 23.782 22.832 -0.357 22.899 24.931 -0.301 22.941 36 25.875 0.056 21.601 24.454 -0.792 21.255 23.542 -0.305 20.578 25.564 37 -0.415 19.548 25.214 -0.497 20.689 25.748 0.653 20.822 26.736 -1.056 38 20.110 27.369 -0.940 21.613 24.139 -2.361 20.663 23.544 -2.874 22.647 39 24.515 -3.137 23.335 25.121 -2.713 22.889 24.081 -4.509 21.896 23.782 40 -4.844 23.362 25.086 -5.512 24.421 25.337 -5.447 23.217 24.566 -6.458 41 22.544 26.273 -5.538 21.907 26.222 -6.254 23.739 22.870 -4.635 24.174 42 22.522 -5.769 24.076 22.136 -3.549 23.701 22.364 -2.639 24.898 20.908 43 -3.581 25.892 21.189 -3.929 25.122 20.453 -2.089 25.587 21.250 -1.510 44 24.115 20.248 -1.724 26.048 19.198 -1.860 25.652 18.111 -1.063 24.671 45 18.057 -0.614 26.396 16.946 -0.852 26.209 16.197 -0.097 27.736 16.967 46 -1.426 28.607 15.942 -1.094 28.361 15.301 -0.424 28.220 18.112 -2.137 47 29.215 18.126 -2.555 27.309 19.187 -2.321 27.556 20.015 -2.969 24.258 48 19.797 -4.526 23.014 19.734 -4.644 25.131 18.880 -5.015 26.047 18.946 49 -4.596 24.764 17.612 -5.686 23.886 17.290 -5.125 24.491 17.704 -7.177 50 24.107 16.760 -7.563 23.757 18.498 -7.315 25.648 18.232 -8.024 25.894 51 19.219 -7.634 26.454 17.498 -8.001 25.044 18.403 -9.731 26.265 19.752 52 -10.177 26.183 20.547 -9.436 27.281 19.367 -10.264 26.090 20.066 -11.206 53 25.862 16.561 -5.378 27.022 16.908 -5.278 25.529 15.297 -5.329 24.607 54 15.034 -5.646 26.518 14.173 -5.299 27.402 14.401 -4.702 25.868 12.923 55 -4.790 24.979 12.651 -5.360 26.667 11.652 -4.786 27.440 11.667 -4.017 56 26.016 10.810 -4.551 27.081 11.425 -5.768 25.405 13.055 -3.300 24.940 57 12.167 -2.872 26.225 13.469 -2.714 24.653 13.841 -3.230 26.873 14.042 58 -6.758 26.032 14.002 -7.640 28.207 14.013 -7.000 28.876 14.092 -6.248 59 28.794 13.748 -8.295 28.402 14.429 -9.050 30.283 14.082 -8.177 30.437 60 15.103 -7.828 30.784 13.444 -7.449 31.022 13.908 -9.463 30.486 14.331 61 -10.696 31.315 13.900 -11.635 31.096 14.177 -12.656 32.173 13.024 -11.144 62 32.897 12.559 -11.674 32.101 13.188 -9.761 32.676 12.662 -9.013 28.580 63 12.345 -8.844 29.455 11.474 -8.951 27.338 12.086 -9.169 26.572 12.733 64 -9.046 26.888 10.780 -9.704 27.351 10.008 -9.090 25.331 10.837 -9.614 65 25.296 11.091 -8.554 24.849 11.599 -10.227 24.670 9.489 -9.968 23.821 66 9.238 -10.979 23.478 9.966 -11.699 23.537 7.882 -11.049 23.035 7.440 67 -11.806 23.867 7.308 -9.851 23.641 6.065 -9.284 23.056 5.300 -9.773 68 23.972 5.824 -7.943 23.722 4.922 -7.403 24.793 6.740 -7.299 25.174 69 6.432 -6.337 25.094 8.007 -7.858 25.578 8.779 -7.278 24.633 8.322 70 -9.146 27.268 10.448 -11.120 27.559 11.332 -11.948 27.400 9.164 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85 20.616 15.929 33.601 20.633 15.724 31.381 19.754 11.001 32.112 18.903 86 10.422 30.323 20.349 10.485 29.849 21.046 11.042 29.734 20.136 9.161 87 30.523 19.740 8.523 28.557 19.168 9.246 28.948 18.348 9.848 27.682 88 19.578 9.750 28.293 18.558 7.904 27.140 18.879 7.116 26.329 19.472 89 7.511 26.999 18.415 5.745 26.168 18.759 5.148 27.888 17.471 5.265 90 27.690 17.010 4.309 29.033 17.160 6.046 29.769 16.444 5.712 29.160 91 17.648 7.325 30.062 17.383 7.856 29.342 21.504 8.454 29.087 22.457 92 9.116 29.095 21.479 7.134 29.105 20.606 6.627 28.658 22.635 6.258 93 27.815 23.085 6.782 29.786 23.682 6.202 29.893 24.213 7.148 30.686 94 23.176 5.855 29.545 24.812 5.193 28.501 25.753 5.287 28.574 26.470 95 4.176 27.979 27.349 3.976 29.530 26.012 3.342 29.690 26.229 2.369 96 30.171 24.942 3.988 30.909 24.326 3.497 28.198 22.134 4.889 28.845 97 21.237 4.297 27.109 22.803 4.336 26.580 23.477 4.872 26.552 22.435 98 2.998 27.387 22.288 2.314 25.626 21.264 3.289 26.368 20.560 3.666 99 24.911 21.450 4.090 24.830 20.642 2.158 25.456 20.617 1.266 24.597 100 19.631 2.491 23.425 21.337 1.897 22.869 21.530 2.815 23.588 22.370 101 1.593 22.713 20.651 0.836 22.470 21.241 0.053 22.092 19.462 0.948 102 22.259 18.671 1.979 22.585 19.106 2.830 21.652 17.867 2.055 21.406 103 18.947 -0.031 21.236 19.488 -0.866 20.954 18.044 -0.029 25.783 23.521 104 2.331 24.875 24.110 2.923 26.120 23.750 1.015 26.858 23.160 0.659 105 25.415 24.799 0.128 25.210 25.701 0.703 26.442 25.290 -0.915 27.143 106 25.835 -0.283 26.831 24.388 -1.388 25.968 26.139 -2.093 25.878 25.710 107 -3.335 26.092 24.691 -3.624 25.253 26.647 -4.092 25.201 26.570 -5.098 108 24.762 27.717 -3.338 23.960 28.872 -3.598 23.458 29.006 -4.545 23.720 109 29.773 -2.555 23.018 30.573 -2.742 24.289 29.510 -1.272 24.098 30.152 110 -0.425 25.107 28.394 -1.025 25.552 28.243 -0.053 25.371 27.444 -2.057 111 24.218 24.304 -0.612 24.099 23.059 -0.829 23.251 25.154 -1.009 23.420 112 26.126 -0.796 21.985 24.702 -1.501 21.578 23.982 -0.791 21.068 25.968 113 -1.381 20.126 25.712 -1.867 20.935 26.128 -0.311 21.609 27.117 -1.958 114 20.916 27.773 -1.860 21.842 24.139 -2.908 20.814 23.492 -3.114 22.866 115 24.212 -3.823 23.737 24.669 -3.596 22.976 23.400 -5.020 22.098 22.758 116 -5.080 22.995 24.326 -6.205 23.838 24.999 -6.054 23.229 23.777 -7.117 117 21.790 25.118 -6.364 21.587 25.474 -5.496 24.214 22.428 -5.050 24.878 118 22.231 -6.087 24.560 21.887 -3.892 24.025 22.186 -3.089 25.480 20.778 119 -3.692 26.377 21.112 -4.212 25.750 20.561 -2.226 26.205 21.501 -1.915 120 24.833 20.333 -1.683 26.731 19.474 -1.960 26.243 18.173 -1.693 25.179 121 18.013 -1.608 27.253 17.218 -1.486 26.900 16.206 -1.352 28.612 17.405 122 -1.602 29.643 16.482 -1.482 29.252 15.685 -1.116 29.068 18.719 -1.897 123 30.091 19.054 -1.977 28.148 19.755 -2.153 28.527 20.749 -2.340 24.883 124 19.507 -4.395 23.765 19.121 -4.109 25.656 18.780 -5.203 26.611 19.089 125 -5.312 25.317 17.457 -5.781 24.451 17.218 -5.164 24.797 17.760 -7.214 126 24.356 16.819 -7.543 23.984 18.484 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