diff --git a/regtest/basic/rt63c-mpi/Makefile b/regtest/basic/rt63c-mpi/Makefile new file mode 100644 index 0000000000000000000000000000000000000000..3703b27cea227aa053fb6d1d73f861e4384dbcee --- /dev/null +++ b/regtest/basic/rt63c-mpi/Makefile @@ -0,0 +1 @@ +include ../../scripts/test.make diff --git a/regtest/basic/rt63c-mpi/after.gro.reference b/regtest/basic/rt63c-mpi/after.gro.reference new file mode 100644 index 0000000000000000000000000000000000000000..33b8feb31dc3afe8b21cf367881a78b413c745a1 --- /dev/null +++ b/regtest/basic/rt63c-mpi/after.gro.reference @@ -0,0 +1,1620 @@ +Made with PLUMED t=0.000000 +132 + 1ACE HH31 1 0.000 -0.055 0.000 + 1ACE CH3 2 0.072 0.028 0.000 + 1ACE HH32 3 0.028 0.127 0.000 + 1ACE HH33 4 0.142 0.014 0.083 + 1ACE C 5 0.150 0.009 -0.129 + 1ACE O 6 0.095 -0.047 -0.224 + 2ALA N 7 0.278 0.048 -0.127 + 2ALA H 8 0.315 0.083 -0.041 + 2ALA CA 9 0.366 0.035 -0.241 + 2ALA HA 10 0.355 -0.068 -0.278 + 2ALA CB 11 0.334 0.133 -0.353 + 2ALA HB1 12 0.392 0.119 -0.444 + 2ALA HB2 13 0.355 0.237 -0.329 + 2ALA HB3 14 0.227 0.124 -0.371 + 2ALA C 15 0.510 0.045 -0.194 + 2ALA O 16 0.562 -0.050 -0.135 + 3ALA N 17 0.571 0.163 -0.200 + 3ALA H 18 0.519 0.241 -0.239 + 3ALA CA 19 0.692 0.216 -0.140 + 3ALA HA 20 0.771 0.150 -0.177 + 3ALA CB 21 0.720 0.356 -0.191 + 3ALA HB1 22 0.730 0.358 -0.299 + 3ALA HB2 23 0.812 0.383 -0.140 + 3ALA HB3 24 0.655 0.438 -0.159 + 3ALA C 25 0.701 0.206 0.011 + 3ALA O 26 0.798 0.151 0.061 + 4ALA N 27 0.601 0.262 0.081 + 4ALA H 28 0.525 0.272 0.015 + 4ALA CA 29 0.576 0.251 0.223 + 4ALA HA 30 0.663 0.203 0.270 + 4ALA CB 31 0.552 0.393 0.275 + 4ALA HB1 32 0.637 0.455 0.247 + 4ALA HB2 33 0.533 0.406 0.382 + 4ALA HB3 34 0.466 0.431 0.220 + 4ALA C 35 0.456 0.159 0.233 + 4ALA O 36 0.393 0.128 0.133 + 5ALA N 37 0.428 0.100 0.351 + 5ALA H 38 0.504 0.113 0.416 + 5ALA CA 39 0.342 -0.014 0.375 + 5ALA HA 40 0.250 0.005 0.321 + 5ALA CB 41 0.402 -0.145 0.326 + 5ALA HB1 42 0.492 -0.179 0.378 + 5ALA HB2 43 0.438 -0.134 0.224 + 5ALA HB3 44 0.333 -0.230 0.330 + 5ALA C 45 0.304 -0.031 0.522 + 5ALA O 46 0.377 0.024 0.605 + 6ALA N 47 0.194 -0.096 0.561 + 6ALA H 48 0.142 -0.152 0.496 + 6ALA CA 49 0.144 -0.093 0.696 + 6ALA HA 50 0.234 -0.101 0.758 + 6ALA CB 51 0.063 0.032 0.731 + 6ALA HB1 52 0.024 0.026 0.833 + 6ALA HB2 53 -0.017 0.046 0.658 + 6ALA HB3 54 0.125 0.120 0.713 + 6ALA C 55 0.052 -0.211 0.723 + 6ALA O 56 -0.027 -0.247 0.636 + 7ALA N 57 0.069 -0.270 0.841 + 7ALA H 58 0.142 -0.221 0.891 + 7ALA CA 59 -0.016 -0.368 0.906 + 7ALA HA 60 -0.117 -0.345 0.875 + 7ALA CB 61 0.005 -0.506 0.843 + 7ALA HB1 62 -0.070 -0.570 0.888 + 7ALA HB2 63 0.107 -0.543 0.852 + 7ALA HB3 64 -0.022 -0.503 0.738 + 7ALA C 65 -0.013 -0.383 1.057 + 7ALA O 66 -0.099 -0.337 1.130 + 8ALA N 67 0.101 -0.430 1.107 + 8ALA H 68 0.171 -0.462 1.040 + 8ALA CA 69 0.159 -0.418 1.239 + 8ALA HA 70 0.086 -0.372 1.305 + 8ALA CB 71 0.194 -0.557 1.294 + 8ALA HB1 72 0.106 -0.614 1.323 + 8ALA HB2 73 0.264 -0.552 1.377 + 8ALA HB3 74 0.245 -0.596 1.207 + 8ALA C 75 0.285 -0.333 1.227 + 8ALA O 76 0.383 -0.366 1.161 + 9ALA N 77 0.268 -0.215 1.288 + 9ALA H 78 0.178 -0.202 1.331 + 9ALA CA 79 0.346 -0.096 1.258 + 9ALA HA 80 0.310 -0.007 1.309 + 9ALA CB 81 0.486 -0.125 1.311 + 9ALA HB1 82 0.527 -0.193 1.235 + 9ALA HB2 83 0.482 -0.168 1.412 + 9ALA HB3 84 0.547 -0.037 1.326 + 9ALA C 85 0.329 -0.059 1.111 + 9ALA O 86 0.236 -0.106 1.046 + 10ALA N 87 0.414 0.032 1.063 + 10ALA H 88 0.475 0.085 1.123 + 10ALA CA 89 0.427 0.065 0.922 + 10ALA HA 90 0.376 -0.006 0.859 + 10ALA CB 91 0.356 0.199 0.901 + 10ALA HB1 92 0.250 0.175 0.898 + 10ALA HB2 93 0.391 0.242 0.807 + 10ALA HB3 94 0.389 0.277 0.969 + 10ALA C 95 0.574 0.070 0.884 + 10ALA O 96 0.660 0.082 0.971 + 11ALA N 97 0.608 0.046 0.757 + 11ALA H 98 0.528 0.024 0.700 + 11ALA CA 99 0.739 0.021 0.703 + 11ALA HA 100 0.818 0.072 0.759 + 11ALA CB 101 0.777 -0.126 0.723 + 11ALA HB1 102 0.879 -0.142 0.689 + 11ALA HB2 103 0.702 -0.186 0.669 + 11ALA HB3 104 0.779 -0.162 0.826 + 11ALA C 105 0.756 0.066 0.559 + 11ALA O 106 0.657 0.107 0.499 + 12ALA N 107 0.877 0.056 0.503 + 12ALA H 108 0.955 0.024 0.559 + 12ALA CA 109 0.900 0.050 0.360 + 12ALA HA 110 0.833 0.124 0.318 + 12ALA CB 111 1.042 0.095 0.329 + 12ALA HB1 112 1.111 0.014 0.356 + 12ALA HB2 113 1.061 0.183 0.390 + 12ALA HB3 114 1.053 0.110 0.222 + 12ALA C 115 0.867 -0.089 0.307 + 12ALA O 116 0.852 -0.184 0.384 + 13ALA N 117 0.854 -0.100 0.175 + 13ALA H 118 0.848 -0.009 0.131 + 13ALA CA 119 0.842 -0.223 0.100 + 13ALA HA 120 0.905 -0.298 0.148 + 13ALA CB 121 0.697 -0.275 0.103 + 13ALA HB1 122 0.688 -0.362 0.039 + 13ALA HB2 123 0.624 -0.200 0.076 + 13ALA HB3 124 0.678 -0.299 0.207 + 13ALA C 125 0.888 -0.204 -0.043 + 13ALA O 126 1.007 -0.218 -0.073 + 14NME N 127 0.801 -0.164 -0.137 + 14NME H 128 0.704 -0.149 -0.113 + 14NME CH3 129 0.837 -0.159 -0.277 + 14NME HH31 130 0.769 -0.097 -0.335 + 14NME HH32 131 0.819 -0.256 -0.324 + 14NME HH33 132 0.939 -0.122 -0.284 + 60.5393674 -48.9759048 -52.9966217 -30.6396327 -73.4588177 -76.1984289 -42.3693308 -22.9953133 81.6245898 +Made with PLUMED t=0.050000 +132 + 1ACE HH31 1 -0.002 -0.049 -0.000 + 1ACE CH3 2 0.076 0.026 0.000 + 1ACE HH32 3 0.026 0.123 0.000 + 1ACE HH33 4 0.133 -0.001 0.088 + 1ACE C 5 0.161 0.033 -0.126 + 1ACE O 6 0.107 0.075 -0.229 + 2ALA N 7 0.286 -0.014 -0.119 + 2ALA H 8 0.307 -0.073 -0.040 + 2ALA CA 9 0.390 -0.010 -0.219 + 2ALA HA 10 0.351 -0.045 -0.315 + 2ALA CB 11 0.441 0.133 -0.241 + 2ALA HB1 12 0.491 0.169 -0.150 + 2ALA HB2 13 0.359 0.203 -0.250 + 2ALA HB3 14 0.508 0.136 -0.328 + 2ALA C 15 0.505 -0.101 -0.182 + 2ALA O 16 0.501 -0.164 -0.075 + 3ALA N 17 0.609 -0.113 -0.265 + 3ALA H 18 0.621 -0.062 -0.351 + 3ALA CA 19 0.727 -0.193 -0.243 + 3ALA HA 20 0.773 -0.183 -0.145 + 3ALA CB 21 0.677 -0.337 -0.254 + 3ALA HB1 22 0.615 -0.349 -0.343 + 3ALA HB2 23 0.620 -0.368 -0.166 + 3ALA HB3 24 0.762 -0.406 -0.252 + 3ALA C 25 0.835 -0.157 -0.345 + 3ALA O 26 0.817 -0.048 -0.397 + 4ALA N 27 0.945 -0.232 -0.357 + 4ALA H 28 0.944 -0.325 -0.320 + 4ALA CA 29 1.039 -0.206 -0.464 + 4ALA HA 30 0.985 -0.156 -0.544 + 4ALA CB 31 1.161 -0.120 -0.427 + 4ALA HB1 32 1.138 -0.015 -0.407 + 4ALA HB2 33 1.236 -0.114 -0.504 + 4ALA HB3 34 1.207 -0.161 -0.336 + 4ALA C 35 1.099 -0.337 -0.514 + 4ALA O 36 1.092 -0.441 -0.451 + 5ALA N 37 1.149 -0.343 -0.638 + 5ALA H 38 1.157 -0.256 -0.690 + 5ALA CA 39 1.213 -0.457 -0.700 + 5ALA HA 40 1.263 -0.521 -0.628 + 5ALA CB 41 1.099 -0.544 -0.756 + 5ALA HB1 42 1.039 -0.583 -0.675 + 5ALA HB2 43 1.134 -0.638 -0.795 + 5ALA HB3 44 1.038 -0.493 -0.831 + 5ALA C 45 1.315 -0.426 -0.809 + 5ALA O 46 1.281 -0.417 -0.927 + 6ALA N 47 1.439 -0.402 -0.767 + 6ALA H 48 1.449 -0.408 -0.667 + 6ALA CA 49 1.553 -0.357 -0.844 + 6ALA HA 50 1.631 -0.321 -0.776 + 6ALA CB 51 1.617 -0.474 -0.918 + 6ALA HB1 52 1.540 -0.530 -0.971 + 6ALA HB2 53 1.673 -0.538 -0.849 + 6ALA HB3 54 1.698 -0.438 -0.984 + 6ALA C 55 1.508 -0.235 -0.923 + 6ALA O 56 1.478 -0.126 -0.874 + 7ALA N 57 1.496 -0.252 -1.055 + 7ALA H 58 1.490 -0.348 -1.085 + 7ALA CA 59 1.468 -0.153 -1.158 + 7ALA HA 60 1.545 -0.078 -1.161 + 7ALA CB 61 1.466 -0.228 -1.291 + 7ALA HB1 62 1.387 -0.303 -1.290 + 7ALA HB2 63 1.562 -0.282 -1.290 + 7ALA HB3 64 1.443 -0.156 -1.368 + 7ALA C 65 1.328 -0.095 -1.145 + 7ALA O 66 1.311 0.023 -1.178 + 8ALA N 67 1.232 -0.172 -1.093 + 8ALA H 68 1.266 -0.261 -1.059 + 8ALA CA 69 1.122 -0.113 -1.020 + 8ALA HA 70 1.079 -0.028 -1.073 + 8ALA CB 71 1.015 -0.222 -1.008 + 8ALA HB1 72 0.918 -0.173 -1.003 + 8ALA HB2 73 1.031 -0.291 -0.926 + 8ALA HB3 74 1.022 -0.283 -1.098 + 8ALA C 75 1.174 -0.047 -0.893 + 8ALA O 76 1.170 -0.105 -0.784 + 9ALA N 77 1.234 0.072 -0.903 + 9ALA H 78 1.238 0.108 -0.998 + 9ALA CA 79 1.296 0.143 -0.793 + 9ALA HA 80 1.382 0.090 -0.751 + 9ALA CB 81 1.371 0.268 -0.838 + 9ALA HB1 82 1.438 0.293 -0.756 + 9ALA HB2 83 1.306 0.353 -0.855 + 9ALA HB3 84 1.418 0.254 -0.936 + 9ALA C 85 1.201 0.170 -0.677 + 9ALA O 86 1.251 0.185 -0.566 + 10ALA N 87 1.073 0.190 -0.710 + 10ALA H 88 1.049 0.179 -0.807 + 10ALA CA 89 0.956 0.204 -0.625 + 10ALA HA 90 0.965 0.153 -0.529 + 10ALA CB 91 0.938 0.353 -0.601 + 10ALA HB1 92 0.930 0.410 -0.693 + 10ALA HB2 93 1.013 0.395 -0.532 + 10ALA HB3 94 0.844 0.379 -0.552 + 10ALA C 95 0.834 0.165 -0.706 + 10ALA O 96 0.836 0.201 -0.824 + 11ALA N 97 0.730 0.103 -0.648 + 11ALA H 98 0.730 0.059 -0.558 + 11ALA CA 99 0.612 0.060 -0.720 + 11ALA HA 100 0.593 0.132 -0.798 + 11ALA CB 101 0.630 -0.076 -0.788 + 11ALA HB1 102 0.671 -0.149 -0.719 + 11ALA HB2 103 0.702 -0.082 -0.871 + 11ALA HB3 104 0.534 -0.106 -0.829 + 11ALA C 105 0.497 0.066 -0.620 + 11ALA O 106 0.482 -0.022 -0.537 + 12ALA N 107 0.405 0.161 -0.642 + 12ALA H 108 0.425 0.220 -0.721 + 12ALA CA 109 0.273 0.174 -0.584 + 12ALA HA 110 0.289 0.163 -0.477 + 12ALA CB 111 0.225 0.316 -0.613 + 12ALA HB1 112 0.298 0.386 -0.571 + 12ALA HB2 113 0.144 0.338 -0.543 + 12ALA HB3 114 0.211 0.338 -0.719 + 12ALA C 115 0.185 0.057 -0.622 + 12ALA O 116 0.185 0.005 -0.734 + 13ALA N 117 0.111 0.006 -0.523 + 13ALA H 118 0.122 0.045 -0.430 + 13ALA CA 119 0.029 -0.112 -0.539 + 13ALA HA 120 0.010 -0.134 -0.643 + 13ALA CB 121 0.086 -0.235 -0.469 + 13ALA HB1 122 0.063 -0.235 -0.362 + 13ALA HB2 123 0.192 -0.249 -0.493 + 13ALA HB3 124 0.032 -0.316 -0.515 + 13ALA C 125 -0.112 -0.089 -0.488 + 13ALA O 126 -0.210 -0.120 -0.555 + 14NME N 127 -0.123 -0.030 -0.368 + 14NME H 128 -0.037 0.008 -0.330 + 14NME CH3 129 -0.250 -0.008 -0.304 + 14NME HH31 130 -0.322 -0.067 -0.360 + 14NME HH32 131 -0.267 0.099 -0.297 + 14NME HH33 132 -0.250 -0.052 -0.204 + -55.7002544 -95.0098963 60.6775304 -27.3533535 78.4173176 28.3576800 -12.9985228 78.0597440 14.9971217 +Made with PLUMED t=0.100000 +132 + 1ACE HH31 1 -0.004 -0.044 -0.000 + 1ACE CH3 2 0.079 0.025 0.000 + 1ACE HH32 3 0.025 0.119 0.000 + 1ACE HH33 4 0.141 0.024 0.090 + 1ACE C 5 0.159 -0.007 -0.126 + 1ACE O 6 0.109 -0.009 -0.239 + 2ALA N 7 0.284 -0.040 -0.096 + 2ALA H 8 0.303 -0.061 0.001 + 2ALA CA 9 0.387 -0.041 -0.199 + 2ALA HA 10 0.349 0.024 -0.277 + 2ALA CB 11 0.516 0.018 -0.144 + 2ALA HB1 12 0.583 0.051 -0.223 + 2ALA HB2 13 0.561 -0.061 -0.083 + 2ALA HB3 14 0.508 0.111 -0.088 + 2ALA C 15 0.389 -0.178 -0.267 + 2ALA O 16 0.296 -0.257 -0.256 + 3ALA N 17 0.501 -0.206 -0.333 + 3ALA H 18 0.589 -0.164 -0.306 + 3ALA CA 19 0.514 -0.303 -0.440 + 3ALA HA 20 0.455 -0.276 -0.527 + 3ALA CB 21 0.660 -0.293 -0.482 + 3ALA HB1 22 0.737 -0.316 -0.409 + 3ALA HB2 23 0.683 -0.191 -0.513 + 3ALA HB3 24 0.676 -0.365 -0.563 + 3ALA C 25 0.470 -0.443 -0.398 + 3ALA O 26 0.523 -0.501 -0.304 + 4ALA N 27 0.379 -0.492 -0.483 + 4ALA H 28 0.344 -0.432 -0.557 + 4ALA CA 29 0.320 -0.623 -0.467 + 4ALA HA 30 0.380 -0.686 -0.401 + 4ALA CB 31 0.188 -0.604 -0.394 + 4ALA HB1 32 0.112 -0.570 -0.464 + 4ALA HB2 33 0.208 -0.543 -0.305 + 4ALA HB3 34 0.144 -0.697 -0.358 + 4ALA C 35 0.314 -0.703 -0.597 + 4ALA O 36 0.229 -0.677 -0.682 + 5ALA N 37 0.414 -0.789 -0.617 + 5ALA H 38 0.471 -0.792 -0.534 + 5ALA CA 39 0.460 -0.856 -0.736 + 5ALA HA 40 0.566 -0.874 -0.716 + 5ALA CB 41 0.383 -0.986 -0.757 + 5ALA HB1 42 0.278 -0.976 -0.787 + 5ALA HB2 43 0.398 -1.045 -0.667 + 5ALA HB3 44 0.423 -1.043 -0.841 + 5ALA C 45 0.458 -0.774 -0.864 + 5ALA O 46 0.565 -0.743 -0.917 + 6ALA N 47 0.341 -0.741 -0.918 + 6ALA H 48 0.260 -0.769 -0.864 + 6ALA CA 49 0.321 -0.678 -1.048 + 6ALA HA 50 0.414 -0.629 -1.075 + 6ALA CB 51 0.274 -0.778 -1.152 + 6ALA HB1 52 0.340 -0.865 -1.149 + 6ALA HB2 53 0.260 -0.731 -1.249 + 6ALA HB3 54 0.175 -0.812 -1.122 + 6ALA C 55 0.221 -0.564 -1.031 + 6ALA O 56 0.192 -0.494 -1.128 + 7ALA N 57 0.169 -0.535 -0.912 + 7ALA H 58 0.209 -0.590 -0.836 + 7ALA CA 59 0.096 -0.414 -0.878 + 7ALA HA 60 0.115 -0.344 -0.959 + 7ALA CB 61 -0.054 -0.447 -0.873 + 7ALA HB1 62 -0.086 -0.498 -0.965 + 7ALA HB2 63 -0.099 -0.348 -0.865 + 7ALA HB3 64 -0.069 -0.517 -0.791 + 7ALA C 65 0.149 -0.358 -0.747 + 7ALA O 66 0.264 -0.383 -0.712 + 8ALA N 67 0.072 -0.285 -0.667 + 8ALA H 68 -0.027 -0.272 -0.683 + 8ALA CA 69 0.111 -0.221 -0.542 + 8ALA HA 70 0.201 -0.277 -0.514 + 8ALA CB 71 0.155 -0.078 -0.575 + 8ALA HB1 72 0.189 -0.030 -0.483 + 8ALA HB2 73 0.078 -0.013 -0.616 + 8ALA HB3 74 0.237 -0.091 -0.645 + 8ALA C 75 -0.000 -0.246 -0.442 + 8ALA O 76 -0.117 -0.230 -0.476 + 9ALA N 77 0.031 -0.308 -0.328 + 9ALA H 78 0.127 -0.287 -0.302 + 9ALA CA 79 -0.061 -0.357 -0.227 + 9ALA HA 80 -0.148 -0.291 -0.232 + 9ALA CB 81 -0.117 -0.493 -0.267 + 9ALA HB1 82 -0.200 -0.534 -0.209 + 9ALA HB2 83 -0.032 -0.562 -0.262 + 9ALA HB3 84 -0.153 -0.490 -0.370 + 9ALA C 85 -0.014 -0.351 -0.083 + 9ALA O 86 -0.095 -0.324 0.005 + 10ALA N 87 0.115 -0.369 -0.055 + 10ALA H 88 0.178 -0.375 -0.134 + 10ALA CA 89 0.177 -0.383 0.075 + 10ALA HA 90 0.108 -0.336 0.145 + 10ALA CB 91 0.193 -0.533 0.097 + 10ALA HB1 92 0.232 -0.585 0.009 + 10ALA HB2 93 0.092 -0.575 0.107 + 10ALA HB3 94 0.261 -0.556 0.178 + 10ALA C 95 0.308 -0.305 0.083 + 10ALA O 96 0.308 -0.194 0.135 + 11ALA N 97 0.422 -0.368 0.053 + 11ALA H 98 0.408 -0.458 0.009 + 11ALA CA 99 0.552 -0.309 0.079 + 11ALA HA 100 0.546 -0.200 0.070 + 11ALA CB 101 0.599 -0.354 0.216 + 11ALA HB1 102 0.609 -0.463 0.217 + 11ALA HB2 103 0.534 -0.320 0.298 + 11ALA HB3 104 0.699 -0.321 0.244 + 11ALA C 105 0.648 -0.356 -0.030 + 11ALA O 106 0.679 -0.280 -0.120 + 12ALA N 107 0.720 -0.468 -0.015 + 12ALA H 108 0.696 -0.520 0.067 + 12ALA CA 109 0.835 -0.516 -0.088 + 12ALA HA 110 0.821 -0.477 -0.189 + 12ALA CB 111 0.967 -0.461 -0.036 + 12ALA HB1 112 0.939 -0.358 -0.011 + 12ALA HB2 113 1.038 -0.462 -0.119 + 12ALA HB3 114 1.003 -0.518 0.049 + 12ALA C 115 0.837 -0.668 -0.107 + 12ALA O 116 0.920 -0.742 -0.056 + 13ALA N 117 0.734 -0.712 -0.179 + 13ALA H 118 0.663 -0.652 -0.220 + 13ALA CA 119 0.731 -0.851 -0.218 + 13ALA HA 120 0.819 -0.905 -0.182 + 13ALA CB 121 0.614 -0.934 -0.166 + 13ALA HB1 122 0.619 -1.039 -0.192 + 13ALA HB2 123 0.521 -0.889 -0.198 + 13ALA HB3 124 0.630 -0.931 -0.058 + 13ALA C 125 0.723 -0.853 -0.369 + 13ALA O 126 0.620 -0.829 -0.431 + 14NME N 127 0.834 -0.888 -0.437 + 14NME H 128 0.919 -0.907 -0.386 + 14NME CH3 129 0.838 -0.910 -0.579 + 14NME HH31 130 0.941 -0.937 -0.603 + 14NME HH32 131 0.815 -0.823 -0.640 + 14NME HH33 132 0.775 -0.994 -0.611 + 40.4889247 -21.0002782 -74.3592348 -73.2472326 -54.7310687 -89.9098104 -38.4085187 16.6395004 64.7597964 +Made with PLUMED t=0.150000 +132 + 1ACE HH31 1 0.001 -0.055 0.000 + 1ACE CH3 2 0.071 0.028 -0.000 + 1ACE HH32 3 0.028 0.127 -0.000 + 1ACE HH33 4 0.124 0.020 0.095 + 1ACE C 5 0.164 -0.006 -0.116 + 1ACE O 6 0.244 0.077 -0.160 + 2ALA N 7 0.146 -0.126 -0.171 + 2ALA H 8 0.064 -0.162 -0.124 + 2ALA CA 9 0.216 -0.201 -0.275 + 2ALA HA 10 0.273 -0.141 -0.347 + 2ALA CB 11 0.306 -0.304 -0.210 + 2ALA HB1 12 0.274 -0.332 -0.109 + 2ALA HB2 13 0.410 -0.271 -0.206 + 2ALA HB3 14 0.302 -0.400 -0.261 + 2ALA C 15 0.111 -0.282 -0.348 + 2ALA O 16 -0.005 -0.284 -0.311 + 3ALA N 17 0.151 -0.346 -0.459 + 3ALA H 18 0.252 -0.345 -0.468 + 3ALA CA 19 0.064 -0.436 -0.531 + 3ALA HA 20 0.004 -0.492 -0.460 + 3ALA CB 21 -0.028 -0.362 -0.629 + 3ALA HB1 22 0.018 -0.332 -0.722 + 3ALA HB2 23 -0.078 -0.279 -0.580 + 3ALA HB3 24 -0.111 -0.430 -0.650 + 3ALA C 25 0.140 -0.544 -0.606 + 3ALA O 26 0.259 -0.526 -0.631 + 4ALA N 27 0.071 -0.653 -0.640 + 4ALA H 28 -0.029 -0.645 -0.627 + 4ALA CA 29 0.122 -0.765 -0.716 + 4ALA HA 30 0.183 -0.828 -0.651 + 4ALA CB 31 0.001 -0.849 -0.759 + 4ALA HB1 32 0.020 -0.954 -0.782 + 4ALA HB2 33 -0.036 -0.795 -0.845 + 4ALA HB3 34 -0.072 -0.847 -0.678 + 4ALA C 35 0.209 -0.724 -0.834 + 4ALA O 36 0.331 -0.738 -0.836 + 5ALA N 37 0.146 -0.662 -0.934 + 5ALA H 38 0.046 -0.660 -0.924 + 5ALA CA 39 0.207 -0.602 -1.051 + 5ALA HA 40 0.240 -0.687 -1.112 + 5ALA CB 41 0.105 -0.522 -1.132 + 5ALA HB1 42 0.139 -0.494 -1.231 + 5ALA HB2 43 0.083 -0.428 -1.079 + 5ALA HB3 44 0.022 -0.589 -1.153 + 5ALA C 45 0.323 -0.509 -1.025 + 5ALA O 46 0.431 -0.524 -1.083 + 6ALA N 47 0.304 -0.412 -0.934 + 6ALA H 48 0.218 -0.390 -0.886 + 6ALA CA 49 0.411 -0.315 -0.921 + 6ALA HA 50 0.448 -0.276 -1.015 + 6ALA CB 51 0.367 -0.192 -0.842 + 6ALA HB1 52 0.289 -0.134 -0.890 + 6ALA HB2 53 0.452 -0.127 -0.816 + 6ALA HB3 54 0.323 -0.233 -0.752 + 6ALA C 55 0.538 -0.371 -0.859 + 6ALA O 56 0.645 -0.315 -0.882 + 7ALA N 57 0.527 -0.471 -0.772 + 7ALA H 58 0.436 -0.515 -0.762 + 7ALA CA 59 0.636 -0.545 -0.712 + 7ALA HA 60 0.715 -0.479 -0.679 + 7ALA CB 61 0.583 -0.612 -0.586 + 7ALA HB1 62 0.526 -0.703 -0.601 + 7ALA HB2 63 0.511 -0.545 -0.540 + 7ALA HB3 64 0.671 -0.641 -0.527 + 7ALA C 65 0.699 -0.637 -0.818 + 7ALA O 66 0.821 -0.645 -0.823 + 8ALA N 67 0.613 -0.693 -0.903 + 8ALA H 68 0.514 -0.681 -0.892 + 8ALA CA 69 0.663 -0.752 -1.027 + 8ALA HA 70 0.733 -0.829 -0.996 + 8ALA CB 71 0.544 -0.815 -1.098 + 8ALA HB1 72 0.583 -0.860 -1.190 + 8ALA HB2 73 0.466 -0.748 -1.132 + 8ALA HB3 74 0.503 -0.896 -1.037 + 8ALA C 75 0.753 -0.660 -1.108 + 8ALA O 76 0.866 -0.697 -1.137 + 9ALA N 77 0.715 -0.536 -1.138 + 9ALA H 78 0.619 -0.516 -1.115 + 9ALA CA 79 0.783 -0.432 -1.213 + 9ALA HA 80 0.848 -0.473 -1.290 + 9ALA CB 81 0.672 -0.359 -1.289 + 9ALA HB1 82 0.713 -0.301 -1.372 + 9ALA HB2 83 0.618 -0.292 -1.222 + 9ALA HB3 84 0.596 -0.414 -1.343 + 9ALA C 85 0.869 -0.340 -1.128 + 9ALA O 86 0.893 -0.223 -1.158 + 10ALA N 87 0.929 -0.401 -1.025 + 10ALA H 88 0.902 -0.495 -1.003 + 10ALA CA 89 1.029 -0.348 -0.934 + 10ALA HA 90 1.034 -0.429 -0.862 + 10ALA CB 91 1.165 -0.341 -1.002 + 10ALA HB1 92 1.250 -0.379 -0.945 + 10ALA HB2 93 1.192 -0.240 -1.033 + 10ALA HB3 94 1.169 -0.402 -1.092 + 10ALA C 95 0.988 -0.231 -0.843 + 10ALA O 96 1.004 -0.248 -0.722 + 11ALA N 97 0.927 -0.123 -0.888 + 11ALA H 98 0.913 -0.142 -0.987 + 11ALA CA 99 0.862 -0.008 -0.829 + 11ALA HA 100 0.934 0.074 -0.826 + 11ALA CB 101 0.759 0.040 -0.931 + 11ALA HB1 102 0.675 -0.030 -0.935 + 11ALA HB2 103 0.800 0.048 -1.031 + 11ALA HB3 104 0.705 0.131 -0.904 + 11ALA C 105 0.803 -0.041 -0.693 + 11ALA O 106 0.814 0.033 -0.594 + 12ALA N 107 0.736 -0.155 -0.677 + 12ALA H 108 0.730 -0.204 -0.765 + 12ALA CA 109 0.675 -0.216 -0.560 + 12ALA HA 110 0.635 -0.311 -0.593 + 12ALA CB 111 0.773 -0.240 -0.445 + 12ALA HB1 112 0.770 -0.154 -0.378 + 12ALA HB2 113 0.871 -0.253 -0.491 + 12ALA HB3 114 0.755 -0.330 -0.387 + 12ALA C 115 0.550 -0.144 -0.512 + 12ALA O 116 0.449 -0.211 -0.490 + 13ALA N 117 0.554 -0.012 -0.500 + 13ALA H 118 0.633 0.033 -0.544 + 13ALA CA 119 0.446 0.066 -0.441 + 13ALA HA 120 0.420 0.036 -0.341 + 13ALA CB 121 0.510 0.199 -0.402 + 13ALA HB1 122 0.444 0.258 -0.340 + 13ALA HB2 123 0.524 0.247 -0.500 + 13ALA HB3 124 0.604 0.196 -0.348 + 13ALA C 125 0.322 0.079 -0.528 + 13ALA O 126 0.338 0.089 -0.649 + 14NME N 127 0.202 0.077 -0.470 + 14NME H 128 0.189 0.104 -0.373 + 14NME CH3 129 0.077 0.070 -0.543 + 14NME HH31 130 0.080 0.150 -0.618 + 14NME HH32 131 -0.014 0.083 -0.484 + 14NME HH33 132 0.075 -0.028 -0.588 + -64.3124373 -59.4387106 81.6228877 75.3285574 -13.7665846 -57.6094986 -56.1086923 -50.4485489 -28.1540072 +Made with PLUMED t=0.200000 +132 + 1ACE HH31 1 -0.003 -0.049 -0.000 + 1ACE CH3 2 0.076 0.026 0.000 + 1ACE HH32 3 0.026 0.123 0.000 + 1ACE HH33 4 0.143 0.003 0.083 + 1ACE C 5 0.158 0.019 -0.128 + 1ACE O 6 0.249 0.099 -0.149 + 2ALA N 7 0.119 -0.075 -0.215 + 2ALA H 8 0.055 -0.138 -0.168 + 2ALA CA 9 0.172 -0.121 -0.342 + 2ALA HA 10 0.264 -0.174 -0.318 + 2ALA CB 11 0.077 -0.228 -0.396 + 2ALA HB1 12 -0.027 -0.196 -0.388 + 2ALA HB2 13 0.082 -0.321 -0.338 + 2ALA HB3 14 0.097 -0.266 -0.496 + 2ALA C 15 0.203 -0.003 -0.433 + 2ALA O 16 0.318 0.007 -0.474 + 3ALA N 17 0.116 0.097 -0.448 + 3ALA H 18 0.021 0.075 -0.423 + 3ALA CA 19 0.140 0.220 -0.523 + 3ALA HA 20 0.152 0.193 -0.628 + 3ALA CB 21 0.020 0.312 -0.506 + 3ALA HB1 22 -0.062 0.256 -0.551 + 3ALA HB2 23 0.031 0.410 -0.554 + 3ALA HB3 24 -0.004 0.326 -0.401 + 3ALA C 25 0.271 0.285 -0.481 + 3ALA O 26 0.343 0.321 -0.573 + 4ALA N 27 0.305 0.310 -0.354 + 4ALA H 28 0.252 0.270 -0.279 + 4ALA CA 29 0.420 0.392 -0.318 + 4ALA HA 30 0.425 0.474 -0.390 + 4ALA CB 31 0.399 0.451 -0.180 + 4ALA HB1 32 0.486 0.515 -0.164 + 4ALA HB2 33 0.409 0.383 -0.094 + 4ALA HB3 34 0.303 0.505 -0.185 + 4ALA C 35 0.551 0.315 -0.329 + 4ALA O 36 0.657 0.363 -0.370 + 5ALA N 37 0.538 0.186 -0.299 + 5ALA H 38 0.441 0.161 -0.284 + 5ALA CA 39 0.630 0.080 -0.333 + 5ALA HA 40 0.714 0.106 -0.268 + 5ALA CB 41 0.569 -0.052 -0.285 + 5ALA HB1 42 0.461 -0.056 -0.286 + 5ALA HB2 43 0.590 -0.072 -0.180 + 5ALA HB3 44 0.607 -0.137 -0.342 + 5ALA C 45 0.687 0.076 -0.474 + 5ALA O 46 0.804 0.107 -0.493 + 6ALA N 47 0.600 0.058 -0.574 + 6ALA H 48 0.508 0.035 -0.540 + 6ALA CA 49 0.615 0.077 -0.717 + 6ALA HA 50 0.681 -0.003 -0.752 + 6ALA CB 51 0.480 0.066 -0.787 + 6ALA HB1 52 0.429 -0.027 -0.762 + 6ALA HB2 53 0.502 0.063 -0.894 + 6ALA HB3 54 0.422 0.153 -0.755 + 6ALA C 55 0.683 0.211 -0.745 + 6ALA O 56 0.778 0.215 -0.821 + 7ALA N 57 0.634 0.321 -0.688 + 7ALA H 58 0.548 0.314 -0.637 + 7ALA CA 59 0.681 0.453 -0.726 + 7ALA HA 60 0.690 0.466 -0.833 + 7ALA CB 61 0.577 0.550 -0.671 + 7ALA HB1 62 0.580 0.549 -0.562 + 7ALA HB2 63 0.476 0.531 -0.706 + 7ALA HB3 64 0.607 0.648 -0.706 + 7ALA C 65 0.817 0.494 -0.670 + 7ALA O 66 0.865 0.600 -0.710 + 8ALA N 67 0.880 0.404 -0.594 + 8ALA H 68 0.814 0.332 -0.568 + 8ALA CA 69 1.005 0.421 -0.521 + 8ALA HA 70 1.044 0.518 -0.552 + 8ALA CB 71 0.973 0.440 -0.373 + 8ALA HB1 72 0.929 0.347 -0.335 + 8ALA HB2 73 0.909 0.527 -0.360 + 8ALA HB3 74 1.070 0.457 -0.328 + 8ALA C 75 1.109 0.310 -0.535 + 8ALA O 76 1.222 0.345 -0.568 + 9ALA N 77 1.076 0.186 -0.502 + 9ALA H 78 0.983 0.157 -0.478 + 9ALA CA 79 1.184 0.092 -0.478 + 9ALA HA 80 1.267 0.113 -0.545 + 9ALA CB 81 1.213 0.118 -0.331 + 9ALA HB1 82 1.281 0.046 -0.284 + 9ALA HB2 83 1.125 0.121 -0.266 + 9ALA HB3 84 1.265 0.213 -0.321 + 9ALA C 85 1.146 -0.053 -0.501 + 9ALA O 86 1.234 -0.139 -0.487 + 10ALA N 87 1.021 -0.085 -0.537 + 10ALA H 88 0.957 -0.009 -0.553 + 10ALA CA 89 0.981 -0.220 -0.571 + 10ALA HA 90 1.041 -0.290 -0.512 + 10ALA CB 91 0.835 -0.245 -0.538 + 10ALA HB1 92 0.806 -0.229 -0.434 + 10ALA HB2 93 0.800 -0.343 -0.570 + 10ALA HB3 94 0.777 -0.167 -0.587 + 10ALA C 95 1.012 -0.249 -0.716 + 10ALA O 96 0.922 -0.237 -0.800 + 11ALA N 97 1.142 -0.260 -0.746 + 11ALA H 98 1.203 -0.261 -0.666 + 11ALA CA 99 1.194 -0.266 -0.882 + 11ALA HA 100 1.300 -0.290 -0.881 + 11ALA CB 101 1.138 -0.379 -0.967 + 11ALA HB1 102 1.157 -0.474 -0.918 + 11ALA HB2 103 1.188 -0.389 -1.063 + 11ALA HB3 104 1.033 -0.361 -0.986 + 11ALA C 105 1.190 -0.134 -0.955 + 11ALA O 106 1.292 -0.072 -0.985 + 12ALA N 107 1.070 -0.084 -0.985 + 12ALA H 108 0.995 -0.117 -0.925 + 12ALA CA 109 1.033 0.041 -1.049 + 12ALA HA 110 1.089 0.039 -1.142 + 12ALA CB 111 0.884 0.042 -1.086 + 12ALA HB1 112 0.868 -0.045 -1.148 + 12ALA HB2 113 0.864 0.137 -1.136 + 12ALA HB3 114 0.823 0.045 -0.996 + 12ALA C 115 1.076 0.164 -0.971 + 12ALA O 116 1.094 0.153 -0.850 + 13ALA N 117 1.075 0.279 -1.036 + 13ALA H 118 1.039 0.281 -1.130 + 13ALA CA 119 1.071 0.408 -0.969 + 13ALA HA 120 1.015 0.399 -0.877 + 13ALA CB 121 1.216 0.448 -0.944 + 13ALA HB1 122 1.215 0.537 -0.879 + 13ALA HB2 123 1.262 0.496 -1.030 + 13ALA HB3 124 1.282 0.369 -0.908 + 13ALA C 125 1.001 0.509 -1.060 + 13ALA O 126 1.025 0.509 -1.181 + 14NME N 127 0.917 0.599 -1.011 + 14NME H 128 0.909 0.607 -0.910 + 14NME CH3 129 0.840 0.693 -1.090 + 14NME HH31 130 0.791 0.654 -1.179 + 14NME HH32 131 0.911 0.756 -1.144 + 14NME HH33 132 0.779 0.755 -1.024 + 26.3386356 68.5786961 2.0622826 -62.9379677 73.1101122 -25.4225087 68.1957366 -93.0589723 -36.5482512 +Made with PLUMED t=0.250000 +132 + 1ACE HH31 1 -0.001 -0.052 0.000 + 1ACE CH3 2 0.074 0.027 0.000 + 1ACE HH32 3 0.027 0.126 -0.000 + 1ACE HH33 4 0.135 0.011 0.089 + 1ACE C 5 0.170 0.020 -0.117 + 1ACE O 6 0.152 -0.055 -0.213 + 2ALA N 7 0.278 0.099 -0.107 + 2ALA H 8 0.276 0.164 -0.031 + 2ALA CA 9 0.400 0.107 -0.185 + 2ALA HA 10 0.382 0.149 -0.284 + 2ALA CB 11 0.487 0.215 -0.121 + 2ALA HB1 12 0.561 0.247 -0.193 + 2ALA HB2 13 0.543 0.181 -0.034 + 2ALA HB3 14 0.435 0.310 -0.103 + 2ALA C 15 0.468 -0.027 -0.210 + 2ALA O 16 0.504 -0.061 -0.322 + 3ALA N 17 0.478 -0.109 -0.105 + 3ALA H 18 0.427 -0.086 -0.021 + 3ALA CA 19 0.544 -0.238 -0.108 + 3ALA HA 20 0.564 -0.275 -0.208 + 3ALA CB 21 0.681 -0.213 -0.043 + 3ALA HB1 22 0.748 -0.160 -0.111 + 3ALA HB2 23 0.722 -0.308 -0.005 + 3ALA HB3 24 0.678 -0.146 0.043 + 3ALA C 25 0.457 -0.337 -0.033 + 3ALA O 26 0.393 -0.304 0.067 + 4ALA N 27 0.458 -0.462 -0.079 + 4ALA H 28 0.532 -0.494 -0.141 + 4ALA CA 29 0.392 -0.575 -0.017 + 4ALA HA 30 0.402 -0.566 0.091 + 4ALA CB 31 0.241 -0.568 -0.039 + 4ALA HB1 32 0.196 -0.655 0.010 + 4ALA HB2 33 0.218 -0.590 -0.144 + 4ALA HB3 34 0.205 -0.472 -0.003 + 4ALA C 35 0.451 -0.708 -0.058 + 4ALA O 36 0.501 -0.722 -0.169 + 5ALA N 37 0.432 -0.814 0.022 + 5ALA H 38 0.392 -0.800 0.114 + 5ALA CA 39 0.468 -0.949 -0.013 + 5ALA HA 40 0.438 -0.970 -0.116 + 5ALA CB 41 0.617 -0.984 -0.018 + 5ALA HB1 42 0.671 -0.932 -0.097 + 5ALA HB2 43 0.641 -1.087 -0.043 + 5ALA HB3 44 0.656 -0.954 0.078 + 5ALA C 45 0.404 -1.051 0.081 + 5ALA O 46 0.384 -1.013 0.196 + 6ALA N 47 0.361 -1.167 0.031 + 6ALA H 48 0.397 -1.194 -0.061 + 6ALA CA 49 0.308 -1.276 0.109 + 6ALA HA 50 0.349 -1.267 0.210 + 6ALA CB 51 0.156 -1.265 0.126 + 6ALA HB1 52 0.097 -1.270 0.035 + 6ALA HB2 53 0.142 -1.170 0.178 + 6ALA HB3 54 0.115 -1.343 0.190 + 6ALA C 55 0.352 -1.409 0.050 + 6ALA O 56 0.379 -1.423 -0.069 + 7ALA N 57 0.367 -1.506 0.141 + 7ALA H 58 0.356 -1.473 0.237 + 7ALA CA 59 0.443 -1.629 0.148 + 7ALA HA 60 0.416 -1.664 0.246 + 7ALA CB 61 0.383 -1.733 0.055 + 7ALA HB1 62 0.275 -1.718 0.046 + 7ALA HB2 63 0.402 -1.832 0.098 + 7ALA HB3 64 0.425 -1.728 -0.045 + 7ALA C 65 0.595 -1.612 0.148 + 7ALA O 66 0.662 -1.677 0.228 + 8ALA N 67 0.650 -1.527 0.059 + 8ALA H 68 0.586 -1.491 -0.011 + 8ALA CA 69 0.788 -1.486 0.058 + 8ALA HA 70 0.852 -1.573 0.078 + 8ALA CB 71 0.832 -1.437 -0.079 + 8ALA HB1 72 0.812 -1.508 -0.159 + 8ALA HB2 73 0.937 -1.410 -0.078 + 8ALA HB3 74 0.767 -1.353 -0.104 + 8ALA C 75 0.808 -1.386 0.172 + 8ALA O 76 0.804 -1.266 0.148 + 9ALA N 77 0.808 -1.436 0.296 + 9ALA H 78 0.798 -1.537 0.295 + 9ALA CA 79 0.769 -1.370 0.419 + 9ALA HA 80 0.756 -1.444 0.498 + 9ALA CB 81 0.879 -1.279 0.470 + 9ALA HB1 82 0.876 -1.183 0.421 + 9ALA HB2 83 0.977 -1.327 0.470 + 9ALA HB3 84 0.858 -1.254 0.575 + 9ALA C 85 0.627 -1.315 0.414 + 9ALA O 86 0.544 -1.363 0.337 + 10ALA N 87 0.596 -1.212 0.492 + 10ALA H 88 0.662 -1.181 0.562 + 10ALA CA 89 0.467 -1.147 0.504 + 10ALA HA 90 0.398 -1.145 0.420 + 10ALA CB 91 0.396 -1.232 0.610 + 10ALA HB1 92 0.460 -1.233 0.699 + 10ALA HB2 93 0.386 -1.336 0.580 + 10ALA HB3 94 0.297 -1.196 0.637 + 10ALA C 95 0.491 -1.003 0.546 + 10ALA O 96 0.532 -0.977 0.659 + 11ALA N 97 0.466 -0.909 0.454 + 11ALA H 98 0.416 -0.941 0.373 + 11ALA CA 99 0.504 -0.771 0.469 + 11ALA HA 100 0.511 -0.752 0.576 + 11ALA CB 101 0.646 -0.756 0.414 + 11ALA HB1 102 0.674 -0.652 0.417 + 11ALA HB2 103 0.642 -0.785 0.308 + 11ALA HB3 104 0.719 -0.823 0.460 + 11ALA C 105 0.408 -0.676 0.399 + 11ALA O 106 0.344 -0.714 0.301 + 12ALA N 107 0.394 -0.551 0.443 + 12ALA H 108 0.439 -0.521 0.529 + 12ALA CA 109 0.319 -0.448 0.373 + 12ALA HA 110 0.342 -0.463 0.268 + 12ALA CB 111 0.168 -0.455 0.395 + 12ALA HB1 112 0.117 -0.528 0.332 + 12ALA HB2 113 0.119 -0.368 0.351 + 12ALA HB3 114 0.145 -0.477 0.499 + 12ALA C 115 0.351 -0.306 0.418 + 12ALA O 116 0.372 -0.290 0.537 + 13ALA N 117 0.364 -0.209 0.326 + 13ALA H 118 0.364 -0.226 0.226 + 13ALA CA 119 0.423 -0.082 0.361 + 13ALA HA 120 0.386 -0.051 0.459 + 13ALA CB 121 0.574 -0.099 0.353 + 13ALA HB1 122 0.621 -0.093 0.255 + 13ALA HB2 123 0.602 -0.193 0.402 + 13ALA HB3 124 0.621 -0.021 0.414 + 13ALA C 125 0.379 0.024 0.262 + 13ALA O 126 0.374 0.008 0.141 + 14NME N 127 0.361 0.144 0.319 + 14NME H 128 0.370 0.145 0.419 + 14NME CH3 129 0.321 0.266 0.251 + 14NME HH31 130 0.402 0.337 0.264 + 14NME HH32 131 0.220 0.302 0.271 + 14NME HH33 132 0.313 0.253 0.144 + -5.2248038 14.2127813 -71.7620096 98.7140115 15.1077915 71.9446192 -67.9850617 -69.2580190 7.3171570 +Made with PLUMED t=0.300000 +132 + 1ACE HH31 1 0.000 -0.054 -0.000 + 1ACE CH3 2 0.072 0.028 -0.000 + 1ACE HH32 3 0.028 0.127 0.000 + 1ACE HH33 4 0.134 0.015 0.089 + 1ACE C 5 0.162 0.016 -0.123 + 1ACE O 6 0.259 0.089 -0.133 + 2ALA N 7 0.142 -0.077 -0.218 + 2ALA H 8 0.055 -0.123 -0.196 + 2ALA CA 9 0.234 -0.124 -0.319 + 2ALA HA 10 0.320 -0.059 -0.308 + 2ALA CB 11 0.278 -0.267 -0.291 + 2ALA HB1 12 0.189 -0.328 -0.304 + 2ALA HB2 13 0.309 -0.275 -0.188 + 2ALA HB3 14 0.364 -0.293 -0.353 + 2ALA C 15 0.169 -0.099 -0.454 + 2ALA O 16 0.157 -0.190 -0.537 + 3ALA N 17 0.132 0.026 -0.481 + 3ALA H 18 0.125 0.098 -0.410 + 3ALA CA 19 0.055 0.064 -0.599 + 3ALA HA 20 0.025 0.168 -0.584 + 3ALA CB 21 0.149 0.059 -0.719 + 3ALA HB1 22 0.242 0.116 -0.711 + 3ALA HB2 23 0.094 0.106 -0.800 + 3ALA HB3 24 0.183 -0.043 -0.741 + 3ALA C 25 -0.082 -0.001 -0.620 + 3ALA O 26 -0.184 0.066 -0.619 + 4ALA N 27 -0.069 -0.125 -0.668 + 4ALA H 28 0.024 -0.160 -0.650 + 4ALA CA 29 -0.177 -0.216 -0.697 + 4ALA HA 30 -0.277 -0.175 -0.680 + 4ALA CB 31 -0.171 -0.240 -0.848 + 4ALA HB1 32 -0.231 -0.327 -0.878 + 4ALA HB2 33 -0.070 -0.257 -0.884 + 4ALA HB3 34 -0.218 -0.157 -0.901 + 4ALA C 35 -0.170 -0.348 -0.621 + 4ALA O 36 -0.271 -0.414 -0.599 + 5ALA N 37 -0.051 -0.390 -0.574 + 5ALA H 38 0.015 -0.316 -0.558 + 5ALA CA 39 -0.018 -0.528 -0.549 + 5ALA HA 40 -0.034 -0.585 -0.641 + 5ALA CB 41 0.135 -0.528 -0.545 + 5ALA HB1 42 0.169 -0.512 -0.647 + 5ALA HB2 43 0.166 -0.629 -0.519 + 5ALA HB3 44 0.186 -0.457 -0.480 + 5ALA C 45 -0.084 -0.579 -0.422 + 5ALA O 46 -0.023 -0.578 -0.315 + 6ALA N 47 -0.211 -0.617 -0.423 + 6ALA H 48 -0.264 -0.610 -0.508 + 6ALA CA 49 -0.298 -0.653 -0.311 + 6ALA HA 50 -0.393 -0.685 -0.352 + 6ALA CB 51 -0.245 -0.765 -0.224 + 6ALA HB1 52 -0.150 -0.731 -0.182 + 6ALA HB2 53 -0.230 -0.850 -0.290 + 6ALA HB3 54 -0.317 -0.780 -0.143 + 6ALA C 55 -0.328 -0.530 -0.226 + 6ALA O 56 -0.442 -0.511 -0.183 + 7ALA N 57 -0.233 -0.439 -0.207 + 7ALA H 58 -0.140 -0.465 -0.237 + 7ALA CA 59 -0.244 -0.318 -0.127 + 7ALA HA 60 -0.333 -0.316 -0.064 + 7ALA CB 61 -0.119 -0.327 -0.040 + 7ALA HB1 62 -0.023 -0.300 -0.085 + 7ALA HB2 63 -0.102 -0.424 0.007 + 7ALA HB3 64 -0.122 -0.260 0.047 + 7ALA C 65 -0.242 -0.195 -0.217 + 7ALA O 66 -0.132 -0.154 -0.252 + 8ALA N 67 -0.357 -0.140 -0.258 + 8ALA H 68 -0.439 -0.182 -0.218 + 8ALA CA 69 -0.380 -0.049 -0.368 + 8ALA HA 70 -0.295 -0.052 -0.437 + 8ALA CB 71 -0.500 -0.102 -0.447 + 8ALA HB1 72 -0.584 -0.082 -0.381 + 8ALA HB2 73 -0.485 -0.209 -0.459 + 8ALA HB3 74 -0.499 -0.053 -0.544 + 8ALA C 75 -0.386 0.092 -0.314 + 8ALA O 76 -0.495 0.148 -0.295 + 9ALA N 77 -0.266 0.144 -0.285 + 9ALA H 78 -0.187 0.082 -0.295 + 9ALA CA 79 -0.230 0.282 -0.262 + 9ALA HA 80 -0.273 0.342 -0.342 + 9ALA CB 81 -0.294 0.329 -0.132 + 9ALA HB1 82 -0.402 0.330 -0.143 + 9ALA HB2 83 -0.268 0.434 -0.118 + 9ALA HB3 84 -0.263 0.272 -0.044 + 9ALA C 85 -0.079 0.293 -0.276 + 9ALA O 86 -0.007 0.204 -0.324 + 10ALA N 87 -0.029 0.407 -0.226 + 10ALA H 88 -0.077 0.472 -0.166 + 10ALA CA 89 0.112 0.438 -0.237 + 10ALA HA 90 0.167 0.358 -0.287 + 10ALA CB 91 0.125 0.559 -0.329 + 10ALA HB1 92 0.110 0.545 -0.436 + 10ALA HB2 93 0.225 0.597 -0.321 + 10ALA HB3 94 0.061 0.643 -0.301 + 10ALA C 95 0.171 0.459 -0.099 + 10ALA O 96 0.131 0.553 -0.031 + 11ALA N 97 0.270 0.376 -0.067 + 11ALA H 98 0.279 0.291 -0.122 + 11ALA CA 99 0.368 0.400 0.037 + 11ALA HA 100 0.391 0.507 0.031 + 11ALA CB 101 0.311 0.362 0.174 + 11ALA HB1 102 0.238 0.436 0.203 + 11ALA HB2 103 0.393 0.348 0.244 + 11ALA HB3 104 0.261 0.266 0.171 + 11ALA C 105 0.493 0.322 -0.001 + 11ALA O 106 0.593 0.390 -0.025 + 12ALA N 107 0.489 0.189 0.006 + 12ALA H 108 0.395 0.155 0.016 + 12ALA CA 109 0.595 0.099 -0.035 + 12ALA HA 110 0.682 0.105 0.030 + 12ALA CB 111 0.554 -0.047 -0.022 + 12ALA HB1 112 0.485 -0.076 -0.100 + 12ALA HB2 113 0.510 -0.076 0.074 + 12ALA HB3 114 0.634 -0.122 -0.027 + 12ALA C 115 0.637 0.117 -0.181 + 12ALA O 116 0.755 0.109 -0.213 + 13ALA N 117 0.538 0.142 -0.267 + 13ALA H 118 0.443 0.147 -0.232 + 13ALA CA 119 0.547 0.140 -0.412 + 13ALA HA 120 0.444 0.134 -0.447 + 13ALA CB 121 0.597 0.278 -0.456 + 13ALA HB1 122 0.686 0.306 -0.401 + 13ALA HB2 123 0.517 0.350 -0.455 + 13ALA HB3 124 0.623 0.266 -0.562 + 13ALA C 125 0.622 0.015 -0.454 + 13ALA O 126 0.578 -0.098 -0.433 + 14NME N 127 0.734 0.034 -0.527 + 14NME H 128 0.761 0.131 -0.530 + 14NME CH3 129 0.812 -0.077 -0.575 + 14NME HH31 130 0.893 -0.107 -0.508 + 14NME HH32 131 0.868 -0.039 -0.660 + 14NME HH33 132 0.742 -0.156 -0.606 + 70.4609993 -88.8301921 -79.2645675 -45.9256486 -54.0932748 -36.3063494 28.1255394 -60.9679963 -0.1782428 +Made with PLUMED t=0.350000 +132 + 1ACE HH31 1 -0.001 -0.053 -0.000 + 1ACE CH3 2 0.074 0.027 -0.000 + 1ACE HH32 3 0.027 0.125 0.000 + 1ACE HH33 4 0.137 0.026 0.089 + 1ACE C 5 0.162 0.018 -0.124 + 1ACE O 6 0.187 -0.088 -0.178 + 2ALA N 7 0.192 0.134 -0.183 + 2ALA H 8 0.155 0.212 -0.131 + 2ALA CA 9 0.294 0.147 -0.286 + 2ALA HA 10 0.285 0.071 -0.363 + 2ALA CB 11 0.277 0.278 -0.362 + 2ALA HB1 12 0.376 0.306 -0.396 + 2ALA HB2 13 0.233 0.360 -0.304 + 2ALA HB3 14 0.217 0.263 -0.451 + 2ALA C 15 0.429 0.136 -0.218 + 2ALA O 16 0.456 0.206 -0.120 + 3ALA N 17 0.525 0.068 -0.282 + 3ALA H 18 0.490 0.012 -0.359 + 3ALA CA 19 0.665 0.061 -0.252 + 3ALA HA 20 0.670 0.051 -0.143 + 3ALA CB 21 0.724 -0.067 -0.310 + 3ALA HB1 22 0.691 -0.085 -0.413 + 3ALA HB2 23 0.691 -0.146 -0.242 + 3ALA HB3 24 0.832 -0.073 -0.307 + 3ALA C 25 0.750 0.184 -0.283 + 3ALA O 26 0.837 0.185 -0.370 + 4ALA N 27 0.718 0.293 -0.215 + 4ALA H 28 0.626 0.287 -0.171 + 4ALA CA 29 0.799 0.413 -0.202 + 4ALA HA 30 0.721 0.485 -0.173 + 4ALA CB 31 0.891 0.394 -0.083 + 4ALA HB1 32 0.956 0.311 -0.109 + 4ALA HB2 33 0.834 0.365 0.005 + 4ALA HB3 34 0.944 0.484 -0.051 + 4ALA C 35 0.852 0.469 -0.333 + 4ALA O 36 0.782 0.499 -0.429 + 5ALA N 37 0.984 0.487 -0.336 + 5ALA H 38 1.033 0.487 -0.247 + 5ALA CA 39 1.053 0.544 -0.449 + 5ALA HA 40 1.018 0.646 -0.468 + 5ALA CB 41 1.196 0.559 -0.399 + 5ALA HB1 42 1.185 0.626 -0.314 + 5ALA HB2 43 1.257 0.603 -0.479 + 5ALA HB3 44 1.239 0.464 -0.367 + 5ALA C 45 1.043 0.460 -0.576 + 5ALA O 46 1.023 0.511 -0.686 + 6ALA N 47 1.072 0.331 -0.559 + 6ALA H 48 1.085 0.312 -0.460 + 6ALA CA 49 1.050 0.227 -0.657 + 6ALA HA 50 1.127 0.241 -0.732 + 6ALA CB 51 1.069 0.092 -0.588 + 6ALA HB1 52 1.135 0.103 -0.502 + 6ALA HB2 53 1.118 0.030 -0.663 + 6ALA HB3 54 0.975 0.044 -0.564 + 6ALA C 55 0.915 0.224 -0.727 + 6ALA O 56 0.908 0.200 -0.848 + 7ALA N 57 0.812 0.244 -0.646 + 7ALA H 58 0.833 0.247 -0.547 + 7ALA CA 59 0.678 0.264 -0.699 + 7ALA HA 60 0.655 0.192 -0.778 + 7ALA CB 61 0.583 0.231 -0.585 + 7ALA HB1 62 0.605 0.129 -0.554 + 7ALA HB2 63 0.477 0.236 -0.608 + 7ALA HB3 64 0.605 0.298 -0.502 + 7ALA C 65 0.652 0.401 -0.761 + 7ALA O 66 0.589 0.412 -0.864 + 8ALA N 67 0.692 0.506 -0.689 + 8ALA H 68 0.743 0.495 -0.602 + 8ALA CA 69 0.680 0.640 -0.742 + 8ALA HA 70 0.574 0.653 -0.762 + 8ALA CB 71 0.720 0.737 -0.632 + 8ALA HB1 72 0.668 0.719 -0.537 + 8ALA HB2 73 0.696 0.842 -0.656 + 8ALA HB3 74 0.827 0.730 -0.615 + 8ALA C 75 0.751 0.660 -0.876 + 8ALA O 76 0.707 0.743 -0.954 + 9ALA N 77 0.861 0.587 -0.899 + 9ALA H 78 0.909 0.548 -0.820 + 9ALA CA 79 0.926 0.591 -1.028 + 9ALA HA 80 0.905 0.688 -1.073 + 9ALA CB 81 1.075 0.590 -0.997 + 9ALA HB1 82 1.085 0.683 -0.940 + 9ALA HB2 83 1.125 0.592 -1.094 + 9ALA HB3 84 1.088 0.496 -0.944 + 9ALA C 85 0.882 0.475 -1.117 + 9ALA O 86 0.919 0.463 -1.234 + 10ALA N 87 0.799 0.382 -1.070 + 10ALA H 88 0.748 0.396 -0.984 + 10ALA CA 89 0.742 0.277 -1.152 + 10ALA HA 90 0.681 0.226 -1.076 + 10ALA CB 91 0.640 0.333 -1.250 + 10ALA HB1 92 0.707 0.386 -1.318 + 10ALA HB2 93 0.574 0.410 -1.208 + 10ALA HB3 94 0.586 0.251 -1.298 + 10ALA C 95 0.833 0.168 -1.207 + 10ALA O 96 0.822 0.118 -1.318 + 11ALA N 97 0.905 0.109 -1.112 + 11ALA H 98 0.893 0.153 -1.022 + 11ALA CA 99 0.979 -0.015 -1.130 + 11ALA HA 100 0.991 -0.035 -1.237 + 11ALA CB 101 1.114 0.002 -1.061 + 11ALA HB1 102 1.176 -0.079 -1.099 + 11ALA HB2 103 1.095 -0.007 -0.953 + 11ALA HB3 104 1.164 0.091 -1.097 + 11ALA C 105 0.908 -0.134 -1.069 + 11ALA O 106 0.902 -0.242 -1.127 + 12ALA N 107 0.858 -0.120 -0.945 + 12ALA H 108 0.870 -0.030 -0.901 + 12ALA CA 109 0.817 -0.235 -0.868 + 12ALA HA 110 0.782 -0.316 -0.932 + 12ALA CB 111 0.937 -0.279 -0.786 + 12ALA HB1 112 0.904 -0.371 -0.736 + 12ALA HB2 113 0.968 -0.208 -0.710 + 12ALA HB3 114 1.014 -0.299 -0.860 + 12ALA C 115 0.703 -0.181 -0.781 + 12ALA O 116 0.725 -0.130 -0.672 + 13ALA N 117 0.582 -0.169 -0.837 + 13ALA H 118 0.559 -0.214 -0.926 + 13ALA CA 119 0.471 -0.103 -0.773 + 13ALA HA 120 0.488 0.005 -0.780 + 13ALA CB 121 0.345 -0.127 -0.854 + 13ALA HB1 122 0.314 -0.232 -0.849 + 13ALA HB2 123 0.345 -0.077 -0.950 + 13ALA HB3 124 0.261 -0.077 -0.805 + 13ALA C 125 0.440 -0.130 -0.626 + 13ALA O 126 0.408 -0.036 -0.554 + 14NME N 127 0.438 -0.258 -0.585 + 14NME H 128 0.466 -0.331 -0.647 + 14NME CH3 129 0.405 -0.307 -0.452 + 14NME HH31 130 0.384 -0.413 -0.463 + 14NME HH32 131 0.326 -0.240 -0.422 + 14NME HH33 132 0.489 -0.303 -0.381 + -13.1618209 30.7984722 51.3763294 -85.5620490 50.0589877 64.7833588 69.6747481 -75.0325455 41.6003592 +Made with PLUMED t=0.400000 +132 + 1ACE HH31 1 -0.003 -0.046 0.000 + 1ACE CH3 2 0.078 0.025 0.000 + 1ACE HH32 3 0.025 0.121 -0.000 + 1ACE HH33 4 0.129 0.003 0.095 + 1ACE C 5 0.185 0.011 -0.107 + 1ACE O 6 0.270 -0.079 -0.103 + 2ALA N 7 0.180 0.102 -0.203 + 2ALA H 8 0.129 0.187 -0.181 + 2ALA CA 9 0.240 0.105 -0.335 + 2ALA HA 10 0.316 0.030 -0.355 + 2ALA CB 11 0.123 0.082 -0.430 + 2ALA HB1 12 0.045 0.156 -0.414 + 2ALA HB2 13 0.074 -0.013 -0.407 + 2ALA HB3 14 0.151 0.093 -0.535 + 2ALA C 15 0.309 0.237 -0.369 + 2ALA O 16 0.431 0.243 -0.376 + 3ALA N 17 0.231 0.344 -0.384 + 3ALA H 18 0.130 0.334 -0.375 + 3ALA CA 19 0.281 0.477 -0.412 + 3ALA HA 20 0.363 0.461 -0.483 + 3ALA CB 21 0.175 0.571 -0.469 + 3ALA HB1 22 0.219 0.668 -0.490 + 3ALA HB2 23 0.102 0.580 -0.389 + 3ALA HB3 24 0.122 0.530 -0.554 + 3ALA C 25 0.343 0.536 -0.287 + 3ALA O 26 0.278 0.610 -0.212 + 4ALA N 27 0.475 0.513 -0.281 + 4ALA H 28 0.523 0.443 -0.337 + 4ALA CA 29 0.564 0.592 -0.201 + 4ALA HA 30 0.543 0.586 -0.094 + 4ALA CB 31 0.707 0.543 -0.223 + 4ALA HB1 32 0.780 0.598 -0.164 + 4ALA HB2 33 0.756 0.545 -0.320 + 4ALA HB3 34 0.713 0.443 -0.180 + 4ALA C 35 0.560 0.740 -0.237 + 4ALA O 36 0.594 0.785 -0.346 + 5ALA N 37 0.506 0.816 -0.141 + 5ALA H 38 0.449 0.777 -0.068 + 5ALA CA 39 0.524 0.959 -0.134 + 5ALA HA 40 0.507 0.991 -0.236 + 5ALA CB 41 0.434 1.036 -0.038 + 5ALA HB1 42 0.433 0.985 0.058 + 5ALA HB2 43 0.330 1.034 -0.069 + 5ALA HB3 44 0.450 1.144 -0.036 + 5ALA C 45 0.669 0.998 -0.105 + 5ALA O 46 0.705 1.031 0.008 + 6ALA N 47 0.758 0.975 -0.202 + 6ALA H 48 0.716 0.938 -0.286 + 6ALA CA 49 0.902 0.972 -0.191 + 6ALA HA 50 0.931 0.947 -0.293 + 6ALA CB 51 0.955 1.113 -0.163 + 6ALA HB1 52 0.937 1.141 -0.060 + 6ALA HB2 53 0.913 1.191 -0.226 + 6ALA HB3 54 1.063 1.119 -0.184 + 6ALA C 55 0.966 0.874 -0.094 + 6ALA O 56 1.031 0.779 -0.139 + 7ALA N 57 0.944 0.897 0.036 + 7ALA H 58 0.893 0.984 0.041 + 7ALA CA 59 0.982 0.817 0.150 + 7ALA HA 60 1.083 0.846 0.178 + 7ALA CB 61 0.887 0.869 0.257 + 7ALA HB1 62 0.891 0.831 0.359 + 7ALA HB2 63 0.781 0.865 0.234 + 7ALA HB3 64 0.917 0.973 0.267 + 7ALA C 65 0.993 0.667 0.126 + 7ALA O 66 0.897 0.597 0.155 + 8ALA N 67 1.109 0.612 0.088 + 8ALA H 68 1.179 0.680 0.063 + 8ALA CA 69 1.128 0.483 0.024 + 8ALA HA 70 1.074 0.497 -0.070 + 8ALA CB 71 1.276 0.461 -0.005 + 8ALA HB1 72 1.300 0.531 -0.085 + 8ALA HB2 73 1.296 0.365 -0.053 + 8ALA HB3 74 1.334 0.474 0.086 + 8ALA C 75 1.072 0.365 0.102 + 8ALA O 76 1.131 0.329 0.205 + 9ALA N 77 0.960 0.307 0.060 + 9ALA H 78 0.914 0.343 -0.022 + 9ALA CA 79 0.870 0.222 0.135 + 9ALA HA 80 0.792 0.202 0.062 + 9ALA CB 81 0.938 0.086 0.155 + 9ALA HB1 82 0.865 0.016 0.196 + 9ALA HB2 83 1.031 0.089 0.213 + 9ALA HB3 84 0.979 0.039 0.067 + 9ALA C 85 0.804 0.275 0.262 + 9ALA O 86 0.684 0.257 0.282 + 10ALA N 87 0.870 0.367 0.332 + 10ALA H 88 0.968 0.372 0.310 + 10ALA CA 89 0.819 0.442 0.446 + 10ALA HA 90 0.804 0.375 0.530 + 10ALA CB 91 0.924 0.545 0.486 + 10ALA HB1 92 0.870 0.623 0.541 + 10ALA HB2 93 0.969 0.583 0.395 + 10ALA HB3 94 1.001 0.509 0.554 + 10ALA C 95 0.682 0.509 0.436 + 10ALA O 96 0.609 0.526 0.533 + 11ALA N 97 0.641 0.550 0.315 + 11ALA H 98 0.698 0.531 0.234 + 11ALA CA 99 0.510 0.606 0.292 + 11ALA HA 100 0.445 0.565 0.370 + 11ALA CB 101 0.514 0.758 0.303 + 11ALA HB1 102 0.586 0.782 0.381 + 11ALA HB2 103 0.418 0.805 0.323 + 11ALA HB3 104 0.539 0.801 0.207 + 11ALA C 105 0.446 0.549 0.167 + 11ALA O 106 0.379 0.625 0.097 + 12ALA N 107 0.464 0.420 0.134 + 12ALA H 108 0.512 0.367 0.204 + 12ALA CA 109 0.388 0.340 0.041 + 12ALA HA 110 0.411 0.377 -0.059 + 12ALA CB 111 0.436 0.195 0.043 + 12ALA HB1 112 0.543 0.192 0.059 + 12ALA HB2 113 0.416 0.161 -0.059 + 12ALA HB3 114 0.378 0.135 0.114 + 12ALA C 115 0.238 0.352 0.064 + 12ALA O 116 0.192 0.281 0.153 + 13ALA N 117 0.172 0.441 -0.011 + 13ALA H 118 0.222 0.498 -0.077 + 13ALA CA 119 0.040 0.490 0.021 + 13ALA HA 120 0.003 0.440 0.111 + 13ALA CB 121 0.040 0.640 0.050 + 13ALA HB1 122 0.086 0.651 0.148 + 13ALA HB2 123 -0.060 0.685 0.050 + 13ALA HB3 124 0.095 0.673 -0.039 + 13ALA C 125 -0.060 0.444 -0.085 + 13ALA O 126 -0.019 0.373 -0.176 + 14NME N 127 -0.191 0.468 -0.064 + 14NME H 128 -0.226 0.523 0.013 + 14NME CH3 129 -0.285 0.427 -0.165 + 14NME HH31 130 -0.267 0.328 -0.208 + 14NME HH32 131 -0.279 0.493 -0.252 + 14NME HH33 132 -0.387 0.429 -0.126 + -87.1191260 83.8558344 -81.4004151 -39.4609560 -29.2077187 -21.1498804 -50.2083817 44.3050836 -37.5637058 +Made with PLUMED t=0.450000 +132 + 1ACE HH31 1 -0.001 -0.051 0.000 + 1ACE CH3 2 0.075 0.027 0.000 + 1ACE HH32 3 0.027 0.124 -0.000 + 1ACE HH33 4 0.139 0.024 0.088 + 1ACE C 5 0.161 0.023 -0.126 + 1ACE O 6 0.111 -0.021 -0.230 + 2ALA N 7 0.286 0.065 -0.116 + 2ALA H 8 0.315 0.112 -0.031 + 2ALA CA 9 0.381 0.055 -0.226 + 2ALA HA 10 0.334 0.102 -0.313 + 2ALA CB 11 0.508 0.132 -0.196 + 2ALA HB1 12 0.484 0.211 -0.125 + 2ALA HB2 13 0.540 0.183 -0.287 + 2ALA HB3 14 0.587 0.069 -0.155 + 2ALA C 15 0.408 -0.091 -0.264 + 2ALA O 16 0.426 -0.121 -0.382 + 3ALA N 17 0.437 -0.183 -0.173 + 3ALA H 18 0.443 -0.140 -0.082 + 3ALA CA 19 0.468 -0.321 -0.202 + 3ALA HA 20 0.523 -0.336 -0.295 + 3ALA CB 21 0.561 -0.369 -0.092 + 3ALA HB1 22 0.526 -0.348 0.009 + 3ALA HB2 23 0.660 -0.328 -0.110 + 3ALA HB3 24 0.577 -0.477 -0.098 + 3ALA C 25 0.340 -0.401 -0.219 + 3ALA O 26 0.303 -0.490 -0.143 + 4ALA N 27 0.262 -0.348 -0.314 + 4ALA H 28 0.302 -0.273 -0.368 + 4ALA CA 29 0.124 -0.382 -0.342 + 4ALA HA 30 0.118 -0.490 -0.361 + 4ALA CB 31 0.036 -0.357 -0.219 + 4ALA HB1 32 0.059 -0.257 -0.184 + 4ALA HB2 33 0.050 -0.426 -0.134 + 4ALA HB3 34 -0.069 -0.370 -0.245 + 4ALA C 35 0.084 -0.313 -0.471 + 4ALA O 36 0.084 -0.377 -0.575 + 5ALA N 37 0.057 -0.181 -0.464 + 5ALA H 38 0.084 -0.134 -0.379 + 5ALA CA 39 0.000 -0.099 -0.568 + 5ALA HA 40 0.025 -0.150 -0.663 + 5ALA CB 41 -0.149 -0.099 -0.540 + 5ALA HB1 42 -0.170 -0.026 -0.461 + 5ALA HB2 43 -0.189 -0.199 -0.527 + 5ALA HB3 44 -0.209 -0.058 -0.622 + 5ALA C 45 0.075 0.032 -0.583 + 5ALA O 46 0.146 0.046 -0.683 + 6ALA N 47 0.073 0.121 -0.484 + 6ALA H 48 0.018 0.108 -0.400 + 6ALA CA 49 0.144 0.247 -0.484 + 6ALA HA 50 0.250 0.236 -0.508 + 6ALA CB 51 0.084 0.336 -0.592 + 6ALA HB1 52 0.083 0.285 -0.689 + 6ALA HB2 53 0.133 0.432 -0.604 + 6ALA HB3 54 -0.020 0.356 -0.566 + 6ALA C 55 0.120 0.320 -0.352 + 6ALA O 56 0.027 0.286 -0.278 + 7ALA N 57 0.208 0.415 -0.324 + 7ALA H 58 0.276 0.435 -0.395 + 7ALA CA 59 0.196 0.507 -0.213 + 7ALA HA 60 0.170 0.452 -0.123 + 7ALA CB 61 0.334 0.567 -0.190 + 7ALA HB1 62 0.366 0.612 -0.284 + 7ALA HB2 63 0.407 0.488 -0.169 + 7ALA HB3 64 0.347 0.640 -0.111 + 7ALA C 65 0.087 0.609 -0.240 + 7ALA O 66 0.116 0.729 -0.233 + 8ALA N 67 -0.040 0.574 -0.256 + 8ALA H 68 -0.053 0.474 -0.263 + 8ALA CA 69 -0.145 0.658 -0.310 + 8ALA HA 70 -0.114 0.694 -0.409 + 8ALA CB 71 -0.266 0.573 -0.347 + 8ALA HB1 72 -0.311 0.516 -0.265 + 8ALA HB2 73 -0.224 0.507 -0.424 + 8ALA HB3 74 -0.340 0.641 -0.391 + 8ALA C 75 -0.189 0.775 -0.223 + 8ALA O 76 -0.159 0.892 -0.247 + 9ALA N 77 -0.258 0.749 -0.113 + 9ALA H 78 -0.289 0.659 -0.078 + 9ALA CA 79 -0.279 0.843 -0.005 + 9ALA HA 80 -0.348 0.917 -0.047 + 9ALA CB 81 -0.359 0.771 0.103 + 9ALA HB1 82 -0.381 0.827 0.194 + 9ALA HB2 83 -0.307 0.681 0.137 + 9ALA HB3 84 -0.460 0.746 0.069 + 9ALA C 85 -0.153 0.911 0.045 + 9ALA O 86 -0.159 1.030 0.077 + 10ALA N 87 -0.039 0.842 0.058 + 10ALA H 88 -0.037 0.742 0.041 + 10ALA CA 89 0.079 0.899 0.118 + 10ALA HA 90 0.056 0.929 0.219 + 10ALA CB 91 0.186 0.792 0.134 + 10ALA HB1 92 0.279 0.837 0.168 + 10ALA HB2 93 0.217 0.761 0.034 + 10ALA HB3 94 0.141 0.707 0.185 + 10ALA C 95 0.138 1.017 0.040 + 10ALA O 96 0.164 1.127 0.087 + 11ALA N 97 0.149 0.999 -0.092 + 11ALA H 98 0.139 0.907 -0.131 + 11ALA CA 99 0.199 1.096 -0.187 + 11ALA HA 100 0.293 1.137 -0.150 + 11ALA CB 101 0.230 1.019 -0.314 + 11ALA HB1 102 0.288 0.931 -0.287 + 11ALA HB2 103 0.290 1.088 -0.373 + 11ALA HB3 104 0.140 1.004 -0.374 + 11ALA C 105 0.099 1.208 -0.214 + 11ALA O 106 0.136 1.323 -0.235 + 12ALA N 107 -0.031 1.177 -0.216 + 12ALA H 108 -0.071 1.087 -0.197 + 12ALA CA 109 -0.137 1.274 -0.197 + 12ALA HA 110 -0.141 1.334 -0.289 + 12ALA CB 111 -0.272 1.207 -0.186 + 12ALA HB1 112 -0.348 1.284 -0.198 + 12ALA HB2 113 -0.289 1.171 -0.084 + 12ALA HB3 114 -0.281 1.134 -0.267 + 12ALA C 115 -0.136 1.363 -0.073 + 12ALA O 116 -0.146 1.485 -0.087 + 13ALA N 117 -0.121 1.315 0.049 + 13ALA H 118 -0.138 1.216 0.056 + 13ALA CA 119 -0.104 1.400 0.166 + 13ALA HA 120 -0.186 1.472 0.168 + 13ALA CB 121 -0.119 1.307 0.286 + 13ALA HB1 122 -0.213 1.252 0.285 + 13ALA HB2 123 -0.115 1.364 0.379 + 13ALA HB3 124 -0.044 1.228 0.288 + 13ALA C 125 0.029 1.473 0.160 + 13ALA O 126 0.040 1.593 0.184 + 14NME N 127 0.137 1.395 0.151 + 14NME H 128 0.117 1.297 0.134 + 14NME CH3 129 0.272 1.435 0.182 + 14NME HH31 130 0.277 1.544 0.184 + 14NME HH32 131 0.330 1.405 0.094 + 14NME HH33 132 0.301 1.391 0.277 + -57.1323912 -63.6605428 21.2060228 -34.2623633 74.5786856 -44.2607166 -63.1531809 69.1149683 -69.0899830 +Made with PLUMED t=0.500000 +132 + 1ACE HH31 1 0.001 -0.056 -0.000 + 1ACE CH3 2 0.071 0.028 -0.000 + 1ACE HH32 3 0.028 0.128 0.000 + 1ACE HH33 4 0.135 0.018 0.088 + 1ACE C 5 0.144 0.017 -0.133 + 1ACE O 6 0.077 -0.010 -0.233 + 2ALA N 7 0.272 0.055 -0.137 + 2ALA H 8 0.321 0.066 -0.050 + 2ALA CA 9 0.348 0.085 -0.257 + 2ALA HA 10 0.315 0.012 -0.331 + 2ALA CB 11 0.302 0.219 -0.311 + 2ALA HB1 12 0.193 0.224 -0.313 + 2ALA HB2 13 0.326 0.220 -0.418 + 2ALA HB3 14 0.339 0.304 -0.255 + 2ALA C 15 0.498 0.078 -0.234 + 2ALA O 16 0.543 0.009 -0.144 + 3ALA N 17 0.571 0.154 -0.318 + 3ALA H 18 0.528 0.206 -0.393 + 3ALA CA 19 0.714 0.176 -0.315 + 3ALA HA 20 0.737 0.204 -0.418 + 3ALA CB 21 0.745 0.290 -0.219 + 3ALA HB1 22 0.853 0.302 -0.221 + 3ALA HB2 23 0.710 0.268 -0.118 + 3ALA HB3 24 0.694 0.381 -0.251 + 3ALA C 25 0.785 0.043 -0.296 + 3ALA O 26 0.777 -0.054 -0.372 + 4ALA N 27 0.859 0.035 -0.185 + 4ALA H 28 0.867 0.121 -0.133 + 4ALA CA 29 0.930 -0.083 -0.140 + 4ALA HA 30 0.994 -0.112 -0.224 + 4ALA CB 31 1.002 -0.040 -0.013 + 4ALA HB1 32 1.059 -0.130 0.014 + 4ALA HB2 33 0.937 -0.013 0.069 + 4ALA HB3 34 1.064 0.049 -0.026 + 4ALA C 35 0.838 -0.195 -0.093 + 4ALA O 36 0.870 -0.313 -0.106 + 5ALA N 37 0.728 -0.162 -0.025 + 5ALA H 38 0.694 -0.066 -0.025 + 5ALA CA 39 0.643 -0.259 0.039 + 5ALA HA 40 0.709 -0.313 0.109 + 5ALA CB 41 0.543 -0.196 0.137 + 5ALA HB1 42 0.486 -0.272 0.188 + 5ALA HB2 43 0.478 -0.126 0.086 + 5ALA HB3 44 0.591 -0.152 0.223 + 5ALA C 45 0.586 -0.357 -0.061 + 5ALA O 46 0.605 -0.477 -0.041 + 6ALA N 47 0.532 -0.306 -0.172 + 6ALA H 48 0.527 -0.206 -0.177 + 6ALA CA 49 0.488 -0.377 -0.291 + 6ALA HA 50 0.396 -0.433 -0.276 + 6ALA CB 51 0.449 -0.276 -0.400 + 6ALA HB1 52 0.412 -0.343 -0.477 + 6ALA HB2 53 0.534 -0.217 -0.435 + 6ALA HB3 54 0.371 -0.209 -0.364 + 6ALA C 55 0.592 -0.478 -0.333 + 6ALA O 56 0.568 -0.598 -0.339 + 7ALA N 57 0.714 -0.430 -0.364 + 7ALA H 58 0.726 -0.331 -0.349 + 7ALA CA 59 0.830 -0.505 -0.407 + 7ALA HA 60 0.793 -0.550 -0.499 + 7ALA CB 61 0.944 -0.406 -0.436 + 7ALA HB1 62 0.937 -0.358 -0.532 + 7ALA HB2 63 1.035 -0.466 -0.445 + 7ALA HB3 64 0.958 -0.334 -0.355 + 7ALA C 65 0.869 -0.617 -0.312 + 7ALA O 66 0.891 -0.729 -0.357 + 8ALA N 67 0.879 -0.590 -0.182 + 8ALA H 68 0.869 -0.493 -0.154 + 8ALA CA 69 0.889 -0.692 -0.080 + 8ALA HA 70 0.978 -0.748 -0.109 + 8ALA CB 71 0.897 -0.617 0.053 + 8ALA HB1 72 0.927 -0.688 0.131 + 8ALA HB2 73 0.801 -0.570 0.079 + 8ALA HB3 74 0.970 -0.536 0.050 + 8ALA C 75 0.772 -0.790 -0.087 + 8ALA O 76 0.792 -0.911 -0.083 + 9ALA N 77 0.650 -0.740 -0.104 + 9ALA H 78 0.642 -0.639 -0.102 + 9ALA CA 79 0.530 -0.822 -0.113 + 9ALA HA 80 0.522 -0.886 -0.025 + 9ALA CB 81 0.400 -0.744 -0.109 + 9ALA HB1 82 0.322 -0.815 -0.080 + 9ALA HB2 83 0.385 -0.691 -0.203 + 9ALA HB3 84 0.406 -0.668 -0.032 + 9ALA C 85 0.542 -0.917 -0.230 + 9ALA O 86 0.522 -1.038 -0.215 + 10ALA N 87 0.579 -0.867 -0.349 + 10ALA H 88 0.587 -0.767 -0.364 + 10ALA CA 89 0.605 -0.956 -0.460 + 10ALA HA 90 0.516 -1.016 -0.478 + 10ALA CB 91 0.624 -0.882 -0.593 + 10ALA HB1 92 0.535 -0.826 -0.623 + 10ALA HB2 93 0.642 -0.949 -0.676 + 10ALA HB3 94 0.716 -0.824 -0.580 + 10ALA C 95 0.721 -1.050 -0.432 + 10ALA O 96 0.717 -1.170 -0.458 + 11ALA N 97 0.832 -1.006 -0.371 + 11ALA H 98 0.838 -0.909 -0.345 + 11ALA CA 99 0.955 -1.084 -0.372 + 11ALA HA 100 0.980 -1.117 -0.474 + 11ALA CB 101 1.069 -0.995 -0.326 + 11ALA HB1 102 1.096 -0.925 -0.406 + 11ALA HB2 103 1.156 -1.060 -0.321 + 11ALA HB3 104 1.052 -0.937 -0.235 + 11ALA C 105 0.946 -1.205 -0.282 + 11ALA O 106 0.975 -1.320 -0.314 + 12ALA N 107 0.898 -1.184 -0.159 + 12ALA H 108 0.854 -1.096 -0.138 + 12ALA CA 109 0.888 -1.278 -0.050 + 12ALA HA 110 0.972 -1.347 -0.051 + 12ALA CB 111 0.885 -1.207 0.084 + 12ALA HB1 112 0.852 -1.277 0.161 + 12ALA HB2 113 0.821 -1.121 0.096 + 12ALA HB3 114 0.986 -1.176 0.116 + 12ALA C 115 0.763 -1.367 -0.059 + 12ALA O 116 0.768 -1.479 -0.011 + 13ALA N 117 0.655 -1.310 -0.114 + 13ALA H 118 0.671 -1.214 -0.142 + 13ALA CA 119 0.528 -1.380 -0.124 + 13ALA HA 120 0.539 -1.485 -0.097 + 13ALA CB 121 0.433 -1.311 -0.027 + 13ALA HB1 122 0.334 -1.348 -0.055 + 13ALA HB2 123 0.428 -1.206 -0.055 + 13ALA HB3 124 0.438 -1.325 0.081 + 13ALA C 125 0.479 -1.395 -0.267 + 13ALA O 126 0.477 -1.507 -0.315 + 14NME N 127 0.439 -1.288 -0.337 + 14NME H 128 0.460 -1.201 -0.290 + 14NME CH3 129 0.394 -1.291 -0.474 + 14NME HH31 130 0.480 -1.283 -0.541 + 14NME HH32 131 0.322 -1.212 -0.492 + 14NME HH33 132 0.352 -1.388 -0.503 + -93.9532372 63.3775439 -59.8279656 1.0432419 34.2301165 27.0993224 72.4493868 -20.9383847 77.3446739 +Made with PLUMED t=0.550000 +132 + 1ACE HH31 1 -0.000 -0.055 -0.000 + 1ACE CH3 2 0.072 0.028 -0.000 + 1ACE HH32 3 0.028 0.127 0.000 + 1ACE HH33 4 0.142 0.034 0.083 + 1ACE C 5 0.149 0.005 -0.129 + 1ACE O 6 0.197 -0.104 -0.157 + 2ALA N 7 0.170 0.105 -0.215 + 2ALA H 8 0.132 0.196 -0.190 + 2ALA CA 9 0.228 0.104 -0.348 + 2ALA HA 10 0.281 0.010 -0.368 + 2ALA CB 11 0.125 0.130 -0.457 + 2ALA HB1 12 0.171 0.143 -0.555 + 2ALA HB2 13 0.079 0.226 -0.433 + 2ALA HB3 14 0.057 0.047 -0.474 + 2ALA C 15 0.336 0.212 -0.357 + 2ALA O 16 0.305 0.330 -0.376 + 3ALA N 17 0.463 0.174 -0.343 + 3ALA H 18 0.483 0.077 -0.323 + 3ALA CA 19 0.571 0.267 -0.367 + 3ALA HA 20 0.551 0.368 -0.333 + 3ALA CB 21 0.700 0.234 -0.294 + 3ALA HB1 22 0.681 0.221 -0.188 + 3ALA HB2 23 0.774 0.312 -0.313 + 3ALA HB3 24 0.728 0.135 -0.331 + 3ALA C 25 0.597 0.270 -0.518 + 3ALA O 26 0.619 0.167 -0.581 + 4ALA N 27 0.594 0.390 -0.577 + 4ALA H 28 0.558 0.473 -0.533 + 4ALA CA 29 0.614 0.409 -0.719 + 4ALA HA 30 0.532 0.349 -0.757 + 4ALA CB 31 0.591 0.556 -0.751 + 4ALA HB1 32 0.665 0.617 -0.698 + 4ALA HB2 33 0.490 0.593 -0.734 + 4ALA HB3 34 0.620 0.572 -0.855 + 4ALA C 35 0.746 0.356 -0.775 + 4ALA O 36 0.850 0.373 -0.712 + 5ALA N 37 0.742 0.291 -0.892 + 5ALA H 38 0.651 0.291 -0.937 + 5ALA CA 39 0.865 0.247 -0.954 + 5ALA HA 40 0.950 0.300 -0.912 + 5ALA CB 41 0.890 0.101 -0.919 + 5ALA HB1 42 0.808 0.036 -0.944 + 5ALA HB2 43 0.921 0.101 -0.814 + 5ALA HB3 44 0.977 0.065 -0.975 + 5ALA C 45 0.862 0.274 -1.103 + 5ALA O 46 0.966 0.287 -1.168 + 6ALA N 47 0.746 0.273 -1.170 + 6ALA H 48 0.669 0.253 -1.107 + 6ALA CA 49 0.713 0.306 -1.307 + 6ALA HA 50 0.617 0.255 -1.311 + 6ALA CB 51 0.695 0.455 -1.331 + 6ALA HB1 52 0.696 0.469 -1.439 + 6ALA HB2 53 0.786 0.508 -1.302 + 6ALA HB3 54 0.599 0.481 -1.287 + 6ALA C 55 0.805 0.246 -1.412 + 6ALA O 56 0.766 0.153 -1.483 + 7ALA N 57 0.925 0.301 -1.427 + 7ALA H 58 0.932 0.367 -1.350 + 7ALA CA 59 1.041 0.248 -1.497 + 7ALA HA 60 1.014 0.262 -1.602 + 7ALA CB 61 1.162 0.335 -1.467 + 7ALA HB1 62 1.167 0.367 -1.362 + 7ALA HB2 63 1.166 0.423 -1.532 + 7ALA HB3 64 1.259 0.288 -1.485 + 7ALA C 65 1.068 0.101 -1.472 + 7ALA O 66 1.074 0.017 -1.562 + 8ALA N 67 1.077 0.061 -1.345 + 8ALA H 68 1.049 0.127 -1.274 + 8ALA CA 69 1.126 -0.071 -1.307 + 8ALA HA 70 1.174 -0.122 -1.390 + 8ALA CB 71 1.232 -0.057 -1.199 + 8ALA HB1 72 1.312 0.008 -1.234 + 8ALA HB2 73 1.274 -0.155 -1.178 + 8ALA HB3 74 1.175 -0.022 -1.113 + 8ALA C 75 1.009 -0.162 -1.277 + 8ALA O 76 0.997 -0.224 -1.171 + 9ALA N 77 0.917 -0.160 -1.374 + 9ALA H 78 0.946 -0.118 -1.460 + 9ALA CA 79 0.774 -0.178 -1.362 + 9ALA HA 80 0.736 -0.141 -1.458 + 9ALA CB 81 0.731 -0.325 -1.364 + 9ALA HB1 82 0.796 -0.378 -1.296 + 9ALA HB2 83 0.739 -0.364 -1.465 + 9ALA HB3 84 0.631 -0.331 -1.321 + 9ALA C 85 0.707 -0.090 -1.256 + 9ALA O 86 0.769 -0.013 -1.185 + 10ALA N 87 0.574 -0.091 -1.254 + 10ALA H 88 0.521 -0.157 -1.309 + 10ALA CA 89 0.487 0.013 -1.204 + 10ALA HA 90 0.496 0.099 -1.271 + 10ALA CB 91 0.341 -0.035 -1.210 + 10ALA HB1 92 0.329 -0.124 -1.149 + 10ALA HB2 93 0.311 -0.053 -1.313 + 10ALA HB3 94 0.275 0.042 -1.171 + 10ALA C 95 0.513 0.053 -1.060 + 10ALA O 96 0.537 0.171 -1.034 + 11ALA N 97 0.503 -0.038 -0.962 + 11ALA H 98 0.469 -0.126 -0.995 + 11ALA CA 99 0.511 -0.004 -0.822 + 11ALA HA 100 0.592 0.067 -0.810 + 11ALA CB 101 0.381 0.058 -0.773 + 11ALA HB1 102 0.373 0.156 -0.819 + 11ALA HB2 103 0.374 0.080 -0.667 + 11ALA HB3 104 0.302 -0.007 -0.809 + 11ALA C 105 0.542 -0.129 -0.741 + 11ALA O 106 0.526 -0.240 -0.793 + 12ALA N 107 0.586 -0.104 -0.617 + 12ALA H 108 0.612 -0.010 -0.590 + 12ALA CA 109 0.627 -0.210 -0.527 + 12ALA HA 110 0.602 -0.308 -0.570 + 12ALA CB 111 0.778 -0.213 -0.504 + 12ALA HB1 112 0.834 -0.231 -0.596 + 12ALA HB2 113 0.804 -0.295 -0.437 + 12ALA HB3 114 0.801 -0.111 -0.473 + 12ALA C 115 0.548 -0.201 -0.398 + 12ALA O 116 0.514 -0.093 -0.350 + 13ALA N 117 0.515 -0.313 -0.334 + 13ALA H 118 0.554 -0.399 -0.369 + 13ALA CA 119 0.451 -0.323 -0.204 + 13ALA HA 120 0.356 -0.270 -0.217 + 13ALA CB 121 0.416 -0.469 -0.178 + 13ALA HB1 122 0.510 -0.522 -0.191 + 13ALA HB2 123 0.342 -0.507 -0.247 + 13ALA HB3 124 0.375 -0.481 -0.077 + 13ALA C 125 0.539 -0.272 -0.091 + 13ALA O 126 0.656 -0.306 -0.082 + 14NME N 127 0.481 -0.185 -0.008 + 14NME H 128 0.380 -0.171 -0.015 + 14NME CH3 129 0.554 -0.128 0.104 + 14NME HH31 130 0.487 -0.092 0.182 + 14NME HH32 131 0.606 -0.045 0.057 + 14NME HH33 132 0.625 -0.203 0.138 + -44.6926796 60.2471685 -22.1433791 -6.8919829 89.1911709 69.3950494 39.4284897 -56.4525598 79.5159057 diff --git a/regtest/basic/rt63c-mpi/align.pdb b/regtest/basic/rt63c-mpi/align.pdb new file mode 100644 index 0000000000000000000000000000000000000000..3bad27e60ed88f66cb3b6b074d631817007cebf2 --- /dev/null +++ b/regtest/basic/rt63c-mpi/align.pdb @@ -0,0 +1,6 @@ +ATOM 1 HH31 ACE 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 HH31 ACE 1 1.000 0.000 0.000 1.00 0.00 +ATOM 3 HH31 ACE 1 0.000 1.000 0.000 0.50 0.00 +ATOM 3 HH31 ACE 1 0.000 1.000 0.000 0.50 0.00 +ATOM 8 HH31 ACE 1 2.000 3.000 4.000 0.00 1.00 +END diff --git a/regtest/basic/rt63c-mpi/before.gro.reference b/regtest/basic/rt63c-mpi/before.gro.reference new file mode 100644 index 0000000000000000000000000000000000000000..6143d662aed3720d20513b4e60c45428d7ec0690 --- /dev/null +++ b/regtest/basic/rt63c-mpi/before.gro.reference @@ -0,0 +1,1620 @@ +Made with PLUMED t=0.000000 +132 + 1ACE HH31 1 -0.911 -0.240 2.180 + 1ACE CH3 2 -0.893 -0.335 2.231 + 1ACE HH32 3 -0.950 -0.350 2.322 + 1ACE HH33 4 -0.907 -0.417 2.160 + 1ACE C 5 -0.745 -0.330 2.266 + 1ACE O 6 -0.691 -0.221 2.283 + 2ALA N 7 -0.681 -0.448 2.268 + 2ALA H 8 -0.732 -0.530 2.242 + 2ALA CA 9 -0.540 -0.460 2.297 + 2ALA HA 10 -0.488 -0.386 2.235 + 2ALA CB 11 -0.507 -0.437 2.444 + 2ALA HB1 12 -0.401 -0.435 2.467 + 2ALA HB2 13 -0.544 -0.514 2.511 + 2ALA HB3 14 -0.556 -0.343 2.470 + 2ALA C 15 -0.491 -0.595 2.247 + 2ALA O 16 -0.473 -0.613 2.126 + 3ALA N 17 -0.485 -0.697 2.333 + 3ALA H 18 -0.512 -0.679 2.429 + 3ALA CA 19 -0.472 -0.840 2.316 + 3ALA HA 20 -0.377 -0.852 2.264 + 3ALA CB 21 -0.461 -0.909 2.451 + 3ALA HB1 22 -0.376 -0.871 2.508 + 3ALA HB2 23 -0.451 -1.014 2.425 + 3ALA HB3 24 -0.549 -0.913 2.516 + 3ALA C 25 -0.575 -0.906 2.226 + 3ALA O 26 -0.536 -0.975 2.132 + 4ALA N 27 -0.704 -0.887 2.257 + 4ALA H 28 -0.704 -0.806 2.318 + 4ALA CA 29 -0.820 -0.923 2.179 + 4ALA HA 30 -0.787 -0.985 2.095 + 4ALA CB 31 -0.916 -0.996 2.273 + 4ALA HB1 32 -0.863 -1.079 2.319 + 4ALA HB2 33 -1.010 -1.033 2.231 + 4ALA HB3 34 -0.940 -0.926 2.353 + 4ALA C 35 -0.872 -0.791 2.126 + 4ALA O 36 -0.827 -0.685 2.168 + 5ALA N 37 -0.957 -0.790 2.022 + 5ALA H 38 -0.963 -0.882 1.981 + 5ALA CA 39 -0.992 -0.679 1.936 + 5ALA HA 40 -1.014 -0.595 2.001 + 5ALA CB 41 -0.879 -0.640 1.841 + 5ALA HB1 42 -0.853 -0.714 1.765 + 5ALA HB2 43 -0.786 -0.629 1.896 + 5ALA HB3 44 -0.898 -0.548 1.786 + 5ALA C 45 -1.118 -0.705 1.853 + 5ALA O 46 -1.152 -0.822 1.837 + 6ALA N 47 -1.193 -0.605 1.805 + 6ALA H 48 -1.160 -0.510 1.805 + 6ALA CA 49 -1.324 -0.626 1.747 + 6ALA HA 50 -1.312 -0.716 1.687 + 6ALA CB 51 -1.437 -0.640 1.849 + 6ALA HB1 52 -1.533 -0.650 1.799 + 6ALA HB2 53 -1.436 -0.555 1.918 + 6ALA HB3 54 -1.413 -0.723 1.916 + 6ALA C 55 -1.363 -0.509 1.658 + 6ALA O 56 -1.336 -0.394 1.692 + 7ALA N 57 -1.421 -0.543 1.543 + 7ALA H 58 -1.429 -0.644 1.540 + 7ALA CA 59 -1.490 -0.458 1.448 + 7ALA HA 60 -1.536 -0.379 1.507 + 7ALA CB 61 -1.389 -0.380 1.364 + 7ALA HB1 62 -1.448 -0.310 1.305 + 7ALA HB2 63 -1.323 -0.443 1.305 + 7ALA HB3 64 -1.329 -0.316 1.428 + 7ALA C 65 -1.595 -0.517 1.355 + 7ALA O 66 -1.715 -0.505 1.374 + 8ALA N 67 -1.548 -0.602 1.264 + 8ALA H 68 -1.447 -0.611 1.257 + 8ALA CA 69 -1.614 -0.708 1.190 + 8ALA HA 70 -1.721 -0.703 1.210 + 8ALA CB 71 -1.591 -0.690 1.040 + 8ALA HB1 72 -1.648 -0.607 0.998 + 8ALA HB2 73 -1.611 -0.781 0.984 + 8ALA HB3 74 -1.484 -0.673 1.042 + 8ALA C 75 -1.555 -0.841 1.237 + 8ALA O 76 -1.437 -0.871 1.223 + 9ALA N 77 -1.646 -0.911 1.305 + 9ALA H 78 -1.736 -0.867 1.314 + 9ALA CA 79 -1.613 -1.016 1.400 + 9ALA HA 80 -1.700 -1.054 1.454 + 9ALA CB 81 -1.558 -1.131 1.316 + 9ALA HB1 82 -1.457 -1.097 1.292 + 9ALA HB2 83 -1.622 -1.150 1.229 + 9ALA HB3 84 -1.560 -1.227 1.366 + 9ALA C 85 -1.527 -0.959 1.512 + 9ALA O 86 -1.521 -0.838 1.529 + 10ALA N 87 -1.468 -1.048 1.592 + 10ALA H 88 -1.491 -1.146 1.590 + 10ALA CA 89 -1.367 -1.015 1.691 + 10ALA HA 90 -1.329 -0.914 1.678 + 10ALA CB 91 -1.435 -1.017 1.828 + 10ALA HB1 92 -1.490 -0.923 1.834 + 10ALA HB2 93 -1.358 -1.025 1.905 + 10ALA HB3 94 -1.489 -1.109 1.848 + 10ALA C 95 -1.251 -1.113 1.681 + 10ALA O 96 -1.267 -1.221 1.625 + 11ALA N 97 -1.130 -1.073 1.721 + 11ALA H 98 -1.130 -0.977 1.752 + 11ALA CA 99 -1.003 -1.138 1.699 + 11ALA HA 100 -1.012 -1.247 1.693 + 11ALA CB 101 -0.950 -1.103 1.560 + 11ALA HB1 102 -0.858 -1.159 1.542 + 11ALA HB2 103 -0.938 -0.994 1.557 + 11ALA HB3 104 -1.013 -1.131 1.476 + 11ALA C 105 -0.901 -1.112 1.809 + 11ALA O 106 -0.930 -1.031 1.897 + 12ALA N 107 -0.784 -1.175 1.802 + 12ALA H 108 -0.768 -1.243 1.729 + 12ALA CA 109 -0.663 -1.129 1.868 + 12ALA HA 110 -0.695 -1.097 1.966 + 12ALA CB 111 -0.568 -1.247 1.888 + 12ALA HB1 112 -0.521 -1.271 1.792 + 12ALA HB2 113 -0.628 -1.330 1.924 + 12ALA HB3 114 -0.488 -1.217 1.955 + 12ALA C 115 -0.601 -1.014 1.790 + 12ALA O 116 -0.638 -0.989 1.675 + 13ALA N 117 -0.509 -0.942 1.854 + 13ALA H 118 -0.508 -0.964 1.953 + 13ALA CA 119 -0.423 -0.841 1.796 + 13ALA HA 120 -0.398 -0.873 1.695 + 13ALA CB 121 -0.497 -0.707 1.786 + 13ALA HB1 122 -0.429 -0.630 1.750 + 13ALA HB2 123 -0.545 -0.676 1.878 + 13ALA HB3 124 -0.578 -0.724 1.715 + 13ALA C 125 -0.296 -0.825 1.877 + 13ALA O 126 -0.198 -0.896 1.854 + 14NME N 127 -0.292 -0.739 1.979 + 14NME H 128 -0.373 -0.682 2.001 + 14NME CH3 129 -0.169 -0.709 2.049 + 14NME HH31 130 -0.187 -0.663 2.146 + 14NME HH32 131 -0.115 -0.628 1.999 + 14NME HH33 132 -0.114 -0.802 2.060 + 100.0000000 100.0000000 100.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 +Made with PLUMED t=0.050000 +132 + 1ACE HH31 1 -0.022 -1.191 1.511 + 1ACE CH3 2 -0.086 -1.241 1.583 + 1ACE HH32 3 -0.085 -1.347 1.559 + 1ACE HH33 4 -0.041 -1.210 1.677 + 1ACE C 5 -0.234 -1.207 1.574 + 1ACE O 6 -0.296 -1.249 1.476 + 2ALA N 7 -0.285 -1.128 1.669 + 2ALA H 8 -0.219 -1.076 1.724 + 2ALA CA 9 -0.423 -1.089 1.690 + 2ALA HA 10 -0.467 -1.054 1.596 + 2ALA CB 11 -0.508 -1.207 1.738 + 2ALA HB1 12 -0.474 -1.239 1.837 + 2ALA HB2 13 -0.488 -1.296 1.679 + 2ALA HB3 14 -0.614 -1.180 1.738 + 2ALA C 15 -0.433 -0.975 1.789 + 2ALA O 16 -0.330 -0.930 1.841 + 3ALA N 17 -0.553 -0.923 1.818 + 3ALA H 18 -0.641 -0.957 1.782 + 3ALA CA 19 -0.579 -0.816 1.911 + 3ALA HA 20 -0.531 -0.825 2.008 + 3ALA CB 21 -0.521 -0.692 1.844 + 3ALA HB1 22 -0.553 -0.687 1.740 + 3ALA HB2 23 -0.412 -0.690 1.848 + 3ALA HB3 24 -0.548 -0.603 1.901 + 3ALA C 25 -0.729 -0.807 1.939 + 3ALA O 26 -0.790 -0.909 1.910 + 4ALA N 27 -0.780 -0.703 2.006 + 4ALA H 28 -0.724 -0.620 2.014 + 4ALA CA 29 -0.923 -0.687 2.019 + 4ALA HA 30 -0.969 -0.739 1.935 + 4ALA CB 31 -0.985 -0.739 2.149 + 4ALA HB1 32 -0.986 -0.847 2.159 + 4ALA HB2 33 -1.089 -0.713 2.162 + 4ALA HB3 34 -0.928 -0.699 2.234 + 4ALA C 35 -0.960 -0.539 2.015 + 4ALA O 36 -0.878 -0.450 2.032 + 5ALA N 37 -1.083 -0.503 1.978 + 5ALA H 38 -1.152 -0.577 1.966 + 5ALA CA 39 -1.136 -0.368 1.973 + 5ALA HA 40 -1.090 -0.303 2.047 + 5ALA CB 41 -1.093 -0.311 1.838 + 5ALA HB1 42 -0.985 -0.301 1.834 + 5ALA HB2 43 -1.117 -0.206 1.827 + 5ALA HB3 44 -1.131 -0.367 1.752 + 5ALA C 45 -1.287 -0.355 1.992 + 5ALA O 46 -1.363 -0.357 1.895 + 6ALA N 47 -1.330 -0.348 2.118 + 6ALA H 48 -1.255 -0.352 2.185 + 6ALA CA 49 -1.466 -0.348 2.167 + 6ALA HA 50 -1.466 -0.369 2.274 + 6ALA CB 51 -1.528 -0.209 2.154 + 6ALA HB1 52 -1.511 -0.171 2.054 + 6ALA HB2 53 -1.487 -0.142 2.230 + 6ALA HB3 54 -1.634 -0.212 2.183 + 6ALA C 55 -1.536 -0.467 2.102 + 6ALA O 56 -1.511 -0.585 2.124 + 7ALA N 57 -1.628 -0.437 2.010 + 7ALA H 58 -1.622 -0.343 1.973 + 7ALA CA 59 -1.720 -0.525 1.940 + 7ALA HA 60 -1.786 -0.574 2.010 + 7ALA CB 61 -1.803 -0.437 1.847 + 7ALA HB1 62 -1.738 -0.389 1.774 + 7ALA HB2 63 -1.841 -0.359 1.914 + 7ALA HB3 64 -1.871 -0.502 1.793 + 7ALA C 65 -1.648 -0.622 1.848 + 7ALA O 66 -1.697 -0.734 1.832 + 8ALA N 67 -1.533 -0.582 1.793 + 8ALA H 68 -1.501 -0.493 1.826 + 8ALA CA 69 -1.430 -0.679 1.760 + 8ALA HA 70 -1.471 -0.765 1.707 + 8ALA CB 71 -1.332 -0.608 1.667 + 8ALA HB1 72 -1.287 -0.682 1.602 + 8ALA HB2 73 -1.257 -0.548 1.719 + 8ALA HB3 74 -1.390 -0.536 1.609 + 8ALA C 75 -1.378 -0.744 1.888 + 8ALA O 76 -1.275 -0.704 1.942 + 9ALA N 77 -1.452 -0.839 1.946 + 9ALA H 78 -1.538 -0.859 1.897 + 9ALA CA 79 -1.419 -0.903 2.072 + 9ALA HA 80 -1.420 -0.833 2.156 + 9ALA CB 81 -1.531 -0.994 2.122 + 9ALA HB1 82 -1.511 -1.010 2.228 + 9ALA HB2 83 -1.531 -1.091 2.073 + 9ALA HB3 84 -1.630 -0.955 2.097 + 9ALA C 85 -1.283 -0.970 2.072 + 9ALA O 86 -1.228 -0.985 2.181 + 10ALA N 87 -1.243 -1.021 1.955 + 10ALA H 88 -1.303 -1.005 1.876 + 10ALA CA 89 -1.115 -1.079 1.918 + 10ALA HA 90 -1.031 -1.040 1.975 + 10ALA CB 91 -1.127 -1.229 1.941 + 10ALA HB1 92 -1.210 -1.273 1.887 + 10ALA HB2 93 -1.126 -1.256 2.047 + 10ALA HB3 94 -1.043 -1.286 1.901 + 10ALA C 95 -1.100 -1.066 1.767 + 10ALA O 96 -1.203 -1.084 1.703 + 11ALA N 97 -0.980 -1.044 1.712 + 11ALA H 98 -0.897 -1.014 1.760 + 11ALA CA 99 -0.959 -1.027 1.570 + 11ALA HA 100 -1.029 -1.091 1.518 + 11ALA CB 101 -0.985 -0.884 1.522 + 11ALA HB1 102 -0.933 -0.812 1.585 + 11ALA HB2 103 -1.088 -0.847 1.527 + 11ALA HB3 104 -0.955 -0.878 1.418 + 11ALA C 105 -0.818 -1.079 1.542 + 11ALA O 106 -0.720 -1.010 1.567 + 12ALA N 107 -0.810 -1.192 1.471 + 12ALA H 108 -0.899 -1.232 1.447 + 12ALA CA 109 -0.694 -1.250 1.405 + 12ALA HA 110 -0.616 -1.248 1.481 + 12ALA CB 111 -0.729 -1.394 1.371 + 12ALA HB1 112 -0.756 -1.445 1.464 + 12ALA HB2 113 -0.635 -1.447 1.353 + 12ALA HB3 114 -0.810 -1.405 1.299 + 12ALA C 115 -0.643 -1.158 1.295 + 12ALA O 116 -0.717 -1.094 1.220 + 13ALA N 117 -0.510 -1.144 1.290 + 13ALA H 118 -0.454 -1.190 1.361 + 13ALA CA 119 -0.445 -1.053 1.199 + 13ALA HA 120 -0.510 -1.024 1.117 + 13ALA CB 121 -0.388 -0.929 1.268 + 13ALA HB1 122 -0.291 -0.949 1.314 + 13ALA HB2 123 -0.462 -0.882 1.333 + 13ALA HB3 124 -0.372 -0.861 1.185 + 13ALA C 125 -0.332 -1.121 1.123 + 13ALA O 126 -0.322 -1.111 1.001 + 14NME N 127 -0.249 -1.196 1.196 + 14NME H 128 -0.277 -1.213 1.292 + 14NME CH3 129 -0.133 -1.261 1.139 + 14NME HH31 130 -0.121 -1.218 1.040 + 14NME HH32 131 -0.148 -1.369 1.146 + 14NME HH33 132 -0.043 -1.233 1.193 + 100.0000000 100.0000000 100.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 +Made with PLUMED t=0.100000 +132 + 1ACE HH31 1 -1.697 -0.728 1.714 + 1ACE CH3 2 -1.714 -0.818 1.773 + 1ACE HH32 3 -1.805 -0.789 1.825 + 1ACE HH33 4 -1.737 -0.908 1.716 + 1ACE C 5 -1.589 -0.834 1.859 + 1ACE O 6 -1.546 -0.746 1.933 + 2ALA N 7 -1.531 -0.952 1.836 + 2ALA H 8 -1.561 -1.001 1.753 + 2ALA CA 9 -1.432 -1.004 1.929 + 2ALA HA 10 -1.452 -0.954 2.023 + 2ALA CB 11 -1.453 -1.154 1.948 + 2ALA HB1 12 -1.407 -1.191 2.039 + 2ALA HB2 13 -1.410 -1.201 1.859 + 2ALA HB3 14 -1.555 -1.188 1.965 + 2ALA C 15 -1.294 -0.951 1.891 + 2ALA O 16 -1.280 -0.855 1.817 + 3ALA N 17 -1.192 -1.021 1.941 + 3ALA H 18 -1.201 -1.119 1.963 + 3ALA CA 19 -1.057 -0.971 1.960 + 3ALA HA 20 -1.053 -0.890 2.033 + 3ALA CB 21 -0.982 -1.088 2.022 + 3ALA HB1 22 -0.974 -1.181 1.966 + 3ALA HB2 23 -1.031 -1.118 2.115 + 3ALA HB3 24 -0.879 -1.056 2.038 + 3ALA C 25 -0.995 -0.918 1.831 + 3ALA O 26 -0.983 -0.990 1.732 + 4ALA N 27 -0.950 -0.793 1.847 + 4ALA H 28 -0.967 -0.746 1.935 + 4ALA CA 29 -0.886 -0.719 1.741 + 4ALA HA 30 -0.852 -0.785 1.661 + 4ALA CB 31 -0.994 -0.632 1.677 + 4ALA HB1 32 -1.011 -0.544 1.738 + 4ALA HB2 33 -1.079 -0.697 1.653 + 4ALA HB3 34 -0.963 -0.587 1.582 + 4ALA C 35 -0.759 -0.647 1.785 + 4ALA O 36 -0.766 -0.543 1.851 + 5ALA N 37 -0.645 -0.711 1.760 + 5ALA H 38 -0.665 -0.794 1.706 + 5ALA CA 39 -0.512 -0.693 1.813 + 5ALA HA 40 -0.467 -0.792 1.804 + 5ALA CB 41 -0.436 -0.588 1.732 + 5ALA HB1 42 -0.469 -0.484 1.743 + 5ALA HB2 43 -0.436 -0.623 1.629 + 5ALA HB3 44 -0.332 -0.579 1.764 + 5ALA C 45 -0.503 -0.659 1.961 + 5ALA O 46 -0.453 -0.741 2.038 + 6ALA N 47 -0.545 -0.540 2.003 + 6ALA H 48 -0.586 -0.482 1.931 + 6ALA CA 49 -0.528 -0.485 2.137 + 6ALA HA 50 -0.511 -0.569 2.205 + 6ALA CB 51 -0.416 -0.382 2.142 + 6ALA HB1 52 -0.328 -0.424 2.094 + 6ALA HB2 53 -0.404 -0.342 2.242 + 6ALA HB3 54 -0.448 -0.297 2.081 + 6ALA C 55 -0.661 -0.426 2.182 + 6ALA O 56 -0.671 -0.377 2.294 + 7ALA N 57 -0.768 -0.431 2.103 + 7ALA H 58 -0.754 -0.484 2.018 + 7ALA CA 59 -0.905 -0.403 2.144 + 7ALA HA 60 -0.904 -0.404 2.253 + 7ALA CB 61 -0.944 -0.264 2.094 + 7ALA HB1 62 -0.870 -0.189 2.124 + 7ALA HB2 63 -1.039 -0.247 2.145 + 7ALA HB3 64 -0.944 -0.267 1.985 + 7ALA C 65 -0.996 -0.513 2.092 + 7ALA O 66 -0.951 -0.625 2.069 + 8ALA N 67 -1.125 -0.490 2.067 + 8ALA H 68 -1.166 -0.398 2.071 + 8ALA CA 69 -1.224 -0.586 2.022 + 8ALA HA 70 -1.162 -0.666 1.980 + 8ALA CB 71 -1.293 -0.643 2.146 + 8ALA HB1 72 -1.365 -0.719 2.115 + 8ALA HB2 73 -1.349 -0.572 2.206 + 8ALA HB3 74 -1.212 -0.688 2.204 + 8ALA C 75 -1.306 -0.520 1.913 + 8ALA O 76 -1.346 -0.405 1.929 + 9ALA N 77 -1.310 -0.579 1.793 + 9ALA H 78 -1.301 -0.679 1.803 + 9ALA CA 79 -1.367 -0.524 1.671 + 9ALA HA 80 -1.448 -0.458 1.703 + 9ALA CB 81 -1.268 -0.430 1.604 + 9ALA HB1 82 -1.303 -0.369 1.520 + 9ALA HB2 83 -1.186 -0.494 1.569 + 9ALA HB3 84 -1.228 -0.359 1.676 + 9ALA C 85 -1.431 -0.623 1.575 + 9ALA O 86 -1.532 -0.590 1.514 + 10ALA N 87 -1.381 -0.746 1.565 + 10ALA H 88 -1.308 -0.771 1.630 + 10ALA CA 89 -1.417 -0.849 1.469 + 10ALA HA 90 -1.517 -0.824 1.436 + 10ALA CB 91 -1.312 -0.840 1.358 + 10ALA HB1 92 -1.210 -0.831 1.396 + 10ALA HB2 93 -1.328 -0.745 1.307 + 10ALA HB3 94 -1.312 -0.928 1.294 + 10ALA C 95 -1.425 -0.986 1.536 + 10ALA O 96 -1.535 -1.029 1.569 + 11ALA N 97 -1.317 -1.064 1.536 + 11ALA H 98 -1.232 -1.016 1.508 + 11ALA CA 99 -1.321 -1.203 1.577 + 11ALA HA 100 -1.398 -1.217 1.653 + 11ALA CB 101 -1.344 -1.289 1.453 + 11ALA HB1 102 -1.261 -1.275 1.384 + 11ALA HB2 103 -1.440 -1.269 1.404 + 11ALA HB3 104 -1.343 -1.396 1.470 + 11ALA C 105 -1.188 -1.238 1.643 + 11ALA O 106 -1.182 -1.247 1.765 + 12ALA N 107 -1.085 -1.285 1.572 + 12ALA H 108 -1.102 -1.284 1.473 + 12ALA CA 109 -0.963 -1.350 1.614 + 12ALA HA 110 -0.942 -1.307 1.712 + 12ALA CB 111 -0.979 -1.500 1.633 + 12ALA HB1 112 -1.079 -1.506 1.676 + 12ALA HB2 113 -0.904 -1.532 1.705 + 12ALA HB3 114 -0.969 -1.553 1.538 + 12ALA C 115 -0.841 -1.312 1.530 + 12ALA O 116 -0.781 -1.391 1.458 + 13ALA N 117 -0.811 -1.183 1.538 + 13ALA H 118 -0.861 -1.116 1.595 + 13ALA CA 119 -0.689 -1.136 1.476 + 13ALA HA 120 -0.633 -1.218 1.429 + 13ALA CB 121 -0.704 -1.034 1.364 + 13ALA HB1 122 -0.611 -1.006 1.316 + 13ALA HB2 123 -0.757 -0.947 1.402 + 13ALA HB3 124 -0.759 -1.090 1.288 + 13ALA C 125 -0.608 -1.070 1.586 + 13ALA O 126 -0.634 -0.959 1.630 + 14NME N 127 -0.501 -1.137 1.632 + 14NME H 128 -0.480 -1.229 1.596 + 14NME CH3 129 -0.405 -1.081 1.724 + 14NME HH31 130 -0.330 -1.159 1.742 + 14NME HH32 131 -0.445 -1.056 1.822 + 14NME HH33 132 -0.351 -0.995 1.683 + 100.0000000 100.0000000 100.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 +Made with PLUMED t=0.150000 +132 + 1ACE HH31 1 -0.559 -1.143 2.590 + 1ACE CH3 2 -0.542 -1.233 2.531 + 1ACE HH32 3 -0.439 -1.267 2.525 + 1ACE HH33 4 -0.595 -1.312 2.584 + 1ACE C 5 -0.611 -1.201 2.399 + 1ACE O 6 -0.594 -1.272 2.300 + 2ALA N 7 -0.682 -1.088 2.397 + 2ALA H 8 -0.663 -1.047 2.487 + 2ALA CA 9 -0.769 -1.026 2.298 + 2ALA HA 10 -0.751 -1.054 2.194 + 2ALA CB 11 -0.914 -1.053 2.335 + 2ALA HB1 12 -0.928 -1.075 2.441 + 2ALA HB2 13 -0.956 -1.135 2.276 + 2ALA HB3 14 -0.977 -0.965 2.322 + 2ALA C 15 -0.753 -0.876 2.314 + 2ALA O 16 -0.685 -0.829 2.404 + 3ALA N 17 -0.812 -0.799 2.221 + 3ALA H 18 -0.875 -0.853 2.163 + 3ALA CA 19 -0.813 -0.655 2.232 + 3ALA HA 20 -0.827 -0.627 2.336 + 3ALA CB 21 -0.685 -0.591 2.178 + 3ALA HB1 22 -0.679 -0.583 2.070 + 3ALA HB2 23 -0.597 -0.639 2.220 + 3ALA HB3 24 -0.680 -0.491 2.221 + 3ALA C 25 -0.934 -0.593 2.163 + 3ALA O 26 -0.993 -0.658 2.077 + 4ALA N 27 -0.966 -0.469 2.200 + 4ALA H 28 -0.898 -0.423 2.259 + 4ALA CA 29 -1.073 -0.389 2.144 + 4ALA HA 30 -1.169 -0.423 2.184 + 4ALA CB 31 -1.053 -0.246 2.194 + 4ALA HB1 32 -1.141 -0.181 2.195 + 4ALA HB2 33 -0.976 -0.208 2.127 + 4ALA HB3 34 -1.015 -0.250 2.296 + 4ALA C 35 -1.082 -0.397 1.993 + 4ALA O 36 -1.170 -0.458 1.933 + 5ALA N 37 -0.981 -0.342 1.925 + 5ALA H 38 -0.916 -0.291 1.983 + 5ALA CA 39 -0.959 -0.347 1.782 + 5ALA HA 40 -1.036 -0.281 1.740 + 5ALA CB 41 -0.822 -0.291 1.745 + 5ALA HB1 42 -0.809 -0.271 1.639 + 5ALA HB2 43 -0.744 -0.363 1.773 + 5ALA HB3 44 -0.816 -0.191 1.788 + 5ALA C 45 -0.967 -0.484 1.718 + 5ALA O 46 -1.040 -0.505 1.621 + 6ALA N 47 -0.894 -0.581 1.775 + 6ALA H 48 -0.829 -0.572 1.852 + 6ALA CA 49 -0.892 -0.708 1.705 + 6ALA HA 50 -0.873 -0.700 1.598 + 6ALA CB 51 -0.782 -0.800 1.756 + 6ALA HB1 52 -0.681 -0.763 1.740 + 6ALA HB2 53 -0.791 -0.902 1.717 + 6ALA HB3 54 -0.797 -0.801 1.864 + 6ALA C 55 -1.024 -0.783 1.707 + 6ALA O 56 -1.048 -0.865 1.618 + 7ALA N 57 -1.104 -0.766 1.812 + 7ALA H 58 -1.081 -0.693 1.878 + 7ALA CA 59 -1.239 -0.818 1.826 + 7ALA HA 60 -1.244 -0.922 1.795 + 7ALA CB 61 -1.272 -0.819 1.975 + 7ALA HB1 62 -1.302 -0.723 2.017 + 7ALA HB2 63 -1.182 -0.843 2.030 + 7ALA HB3 64 -1.359 -0.885 1.987 + 7ALA C 65 -1.334 -0.741 1.734 + 7ALA O 66 -1.418 -0.803 1.670 + 8ALA N 67 -1.309 -0.610 1.723 + 8ALA H 68 -1.238 -0.566 1.779 + 8ALA CA 69 -1.368 -0.534 1.614 + 8ALA HA 70 -1.476 -0.546 1.625 + 8ALA CB 71 -1.330 -0.388 1.634 + 8ALA HB1 72 -1.376 -0.332 1.552 + 8ALA HB2 73 -1.224 -0.364 1.626 + 8ALA HB3 74 -1.373 -0.351 1.727 + 8ALA C 75 -1.346 -0.595 1.477 + 8ALA O 76 -1.443 -0.622 1.406 + 9ALA N 77 -1.224 -0.630 1.436 + 9ALA H 78 -1.150 -0.600 1.498 + 9ALA CA 79 -1.179 -0.689 1.312 + 9ALA HA 80 -1.241 -0.659 1.227 + 9ALA CB 81 -1.042 -0.626 1.285 + 9ALA HB1 82 -1.013 -0.637 1.180 + 9ALA HB2 83 -0.966 -0.672 1.348 + 9ALA HB3 84 -1.027 -0.519 1.295 + 9ALA C 85 -1.177 -0.841 1.311 + 9ALA O 86 -1.100 -0.907 1.242 + 10ALA N 87 -1.275 -0.897 1.382 + 10ALA H 88 -1.332 -0.838 1.441 + 10ALA CA 89 -1.312 -1.037 1.391 + 10ALA HA 90 -1.387 -1.032 1.470 + 10ALA CB 91 -1.385 -1.082 1.265 + 10ALA HB1 92 -1.476 -1.140 1.280 + 10ALA HB2 93 -1.322 -1.140 1.198 + 10ALA HB3 94 -1.421 -0.997 1.207 + 10ALA C 95 -1.211 -1.134 1.453 + 10ALA O 96 -1.250 -1.201 1.549 + 11ALA N 97 -1.083 -1.138 1.417 + 11ALA H 98 -1.075 -1.063 1.349 + 11ALA CA 99 -0.963 -1.202 1.466 + 11ALA HA 100 -0.948 -1.294 1.409 + 11ALA CB 101 -0.847 -1.114 1.421 + 11ALA HB1 102 -0.845 -1.022 1.480 + 11ALA HB2 103 -0.853 -1.086 1.316 + 11ALA HB3 104 -0.747 -1.152 1.444 + 11ALA C 105 -0.969 -1.225 1.616 + 11ALA O 106 -0.934 -1.330 1.670 + 12ALA N 107 -1.014 -1.127 1.695 + 12ALA H 108 -1.035 -1.045 1.640 + 12ALA CA 109 -1.037 -1.122 1.838 + 12ALA HA 110 -1.078 -1.023 1.858 + 12ALA CB 111 -1.133 -1.228 1.889 + 12ALA HB1 112 -1.076 -1.315 1.921 + 12ALA HB2 113 -1.200 -1.251 1.806 + 12ALA HB3 114 -1.198 -1.197 1.971 + 12ALA C 115 -0.909 -1.119 1.920 + 12ALA O 116 -0.897 -1.034 2.008 + 13ALA N 117 -0.813 -1.207 1.891 + 13ALA H 118 -0.824 -1.254 1.802 + 13ALA CA 119 -0.693 -1.224 1.971 + 13ALA HA 120 -0.713 -1.247 2.075 + 13ALA CB 121 -0.640 -1.362 1.933 + 13ALA HB1 122 -0.561 -1.394 2.001 + 13ALA HB2 123 -0.599 -1.344 1.833 + 13ALA HB3 124 -0.710 -1.445 1.931 + 13ALA C 125 -0.592 -1.111 1.959 + 13ALA O 126 -0.578 -1.059 1.849 + 14NME N 127 -0.524 -1.074 2.068 + 14NME H 128 -0.509 -1.137 2.146 + 14NME CH3 129 -0.439 -0.957 2.073 + 14NME HH31 130 -0.371 -0.964 1.988 + 14NME HH32 131 -0.379 -0.945 2.164 + 14NME HH33 132 -0.505 -0.872 2.065 + 100.0000000 100.0000000 100.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 +Made with PLUMED t=0.200000 +132 + 1ACE HH31 1 -0.645 -0.326 2.596 + 1ACE CH3 2 -0.672 -0.294 2.495 + 1ACE HH32 3 -0.746 -0.215 2.506 + 1ACE HH33 4 -0.579 -0.270 2.443 + 1ACE C 5 -0.739 -0.407 2.419 + 1ACE O 6 -0.781 -0.390 2.305 + 2ALA N 7 -0.754 -0.521 2.488 + 2ALA H 8 -0.697 -0.516 2.571 + 2ALA CA 9 -0.804 -0.652 2.453 + 2ALA HA 10 -0.729 -0.696 2.387 + 2ALA CB 11 -0.801 -0.739 2.579 + 2ALA HB1 12 -0.843 -0.685 2.664 + 2ALA HB2 13 -0.699 -0.764 2.609 + 2ALA HB3 14 -0.845 -0.838 2.572 + 2ALA C 15 -0.937 -0.642 2.379 + 2ALA O 16 -0.943 -0.692 2.267 + 3ALA N 17 -1.034 -0.561 2.423 + 3ALA H 18 -1.026 -0.535 2.520 + 3ALA CA 19 -1.159 -0.534 2.354 + 3ALA HA 20 -1.216 -0.627 2.351 + 3ALA CB 21 -1.237 -0.429 2.432 + 3ALA HB1 22 -1.256 -0.477 2.528 + 3ALA HB2 23 -1.330 -0.397 2.385 + 3ALA HB3 24 -1.175 -0.341 2.452 + 3ALA C 25 -1.135 -0.494 2.209 + 3ALA O 26 -1.206 -0.551 2.127 + 4ALA N 27 -1.049 -0.399 2.171 + 4ALA H 28 -0.983 -0.362 2.237 + 4ALA CA 29 -1.044 -0.348 2.035 + 4ALA HA 30 -1.147 -0.341 1.999 + 4ALA CB 31 -0.986 -0.207 2.036 + 4ALA HB1 32 -0.991 -0.175 1.932 + 4ALA HB2 33 -0.878 -0.198 2.053 + 4ALA HB3 34 -1.049 -0.150 2.105 + 4ALA C 35 -0.969 -0.441 1.941 + 4ALA O 36 -1.002 -0.463 1.824 + 5ALA N 37 -0.869 -0.506 2.001 + 5ALA H 38 -0.868 -0.488 2.100 + 5ALA CA 39 -0.803 -0.625 1.953 + 5ALA HA 40 -0.750 -0.584 1.867 + 5ALA CB 41 -0.701 -0.667 2.059 + 5ALA HB1 42 -0.728 -0.643 2.161 + 5ALA HB2 43 -0.606 -0.615 2.049 + 5ALA HB3 44 -0.679 -0.774 2.054 + 5ALA C 45 -0.889 -0.739 1.899 + 5ALA O 46 -0.892 -0.760 1.778 + 6ALA N 47 -0.973 -0.797 1.984 + 6ALA H 48 -0.958 -0.766 2.079 + 6ALA CA 49 -1.086 -0.885 1.960 + 6ALA HA 50 -1.044 -0.981 1.928 + 6ALA CB 51 -1.166 -0.906 2.088 + 6ALA HB1 52 -1.103 -0.940 2.170 + 6ALA HB2 53 -1.236 -0.987 2.067 + 6ALA HB3 54 -1.213 -0.810 2.111 + 6ALA C 55 -1.173 -0.830 1.848 + 6ALA O 56 -1.206 -0.903 1.756 + 7ALA N 57 -1.214 -0.703 1.854 + 7ALA H 58 -1.194 -0.651 1.938 + 7ALA CA 59 -1.312 -0.650 1.761 + 7ALA HA 60 -1.396 -0.717 1.746 + 7ALA CB 61 -1.360 -0.520 1.824 + 7ALA HB1 62 -1.279 -0.447 1.824 + 7ALA HB2 63 -1.400 -0.531 1.924 + 7ALA HB3 64 -1.440 -0.484 1.759 + 7ALA C 65 -1.261 -0.619 1.621 + 7ALA O 66 -1.344 -0.585 1.537 + 8ALA N 67 -1.132 -0.644 1.597 + 8ALA H 68 -1.085 -0.659 1.685 + 8ALA CA 69 -1.057 -0.615 1.476 + 8ALA HA 70 -1.130 -0.580 1.403 + 8ALA CB 71 -0.969 -0.493 1.502 + 8ALA HB1 72 -0.894 -0.519 1.577 + 8ALA HB2 73 -1.031 -0.408 1.530 + 8ALA HB3 74 -0.921 -0.475 1.406 + 8ALA C 75 -0.970 -0.727 1.419 + 8ALA O 76 -0.986 -0.754 1.300 + 9ALA N 77 -0.876 -0.781 1.496 + 9ALA H 78 -0.865 -0.761 1.594 + 9ALA CA 79 -0.771 -0.857 1.430 + 9ALA HA 80 -0.812 -0.909 1.344 + 9ALA CB 81 -0.672 -0.746 1.397 + 9ALA HB1 82 -0.575 -0.780 1.361 + 9ALA HB2 83 -0.650 -0.677 1.479 + 9ALA HB3 84 -0.711 -0.687 1.314 + 9ALA C 85 -0.706 -0.962 1.518 + 9ALA O 86 -0.619 -1.034 1.468 + 10ALA N 87 -0.746 -0.977 1.645 + 10ALA H 88 -0.822 -0.919 1.677 + 10ALA CA 89 -0.696 -1.082 1.731 + 10ALA HA 90 -0.593 -1.106 1.702 + 10ALA CB 91 -0.695 -1.040 1.877 + 10ALA HB1 92 -0.636 -0.951 1.900 + 10ALA HB2 93 -0.665 -1.120 1.945 + 10ALA HB3 94 -0.795 -1.005 1.901 + 10ALA C 95 -0.776 -1.209 1.710 + 10ALA O 96 -0.868 -1.235 1.788 + 11ALA N 97 -0.756 -1.270 1.593 + 11ALA H 98 -0.681 -1.232 1.538 + 11ALA CA 99 -0.838 -1.380 1.544 + 11ALA HA 100 -0.795 -1.423 1.453 + 11ALA CB 101 -0.844 -1.502 1.635 + 11ALA HB1 102 -0.743 -1.538 1.653 + 11ALA HB2 103 -0.895 -1.587 1.590 + 11ALA HB3 104 -0.897 -1.475 1.726 + 11ALA C 105 -0.976 -1.338 1.497 + 11ALA O 106 -1.010 -1.342 1.379 + 12ALA N 107 -1.061 -1.294 1.590 + 12ALA H 108 -1.016 -1.257 1.673 + 12ALA CA 109 -1.196 -1.243 1.578 + 12ALA HA 110 -1.248 -1.322 1.524 + 12ALA CB 111 -1.263 -1.229 1.715 + 12ALA HB1 112 -1.258 -1.327 1.761 + 12ALA HB2 113 -1.365 -1.193 1.698 + 12ALA HB3 114 -1.215 -1.150 1.773 + 12ALA C 115 -1.205 -1.116 1.494 + 12ALA O 116 -1.105 -1.045 1.484 + 13ALA N 117 -1.326 -1.081 1.452 + 13ALA H 118 -1.405 -1.135 1.483 + 13ALA CA 119 -1.359 -0.946 1.410 + 13ALA HA 120 -1.300 -0.875 1.467 + 13ALA CB 121 -1.327 -0.938 1.261 + 13ALA HB1 122 -1.336 -0.833 1.231 + 13ALA HB2 123 -1.408 -0.976 1.199 + 13ALA HB3 124 -1.234 -0.985 1.229 + 13ALA C 125 -1.507 -0.921 1.436 + 13ALA O 126 -1.589 -1.010 1.411 + 14NME N 127 -1.550 -0.804 1.482 + 14NME H 128 -1.483 -0.728 1.489 + 14NME CH3 129 -1.687 -0.774 1.518 + 14NME HH31 130 -1.741 -0.849 1.576 + 14NME HH32 131 -1.748 -0.786 1.428 + 14NME HH33 132 -1.694 -0.671 1.554 + 100.0000000 100.0000000 100.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 +Made with PLUMED t=0.250000 +132 + 1ACE HH31 1 -0.265 -0.942 2.309 + 1ACE CH3 2 -0.191 -0.877 2.263 + 1ACE HH32 3 -0.091 -0.897 2.303 + 1ACE HH33 4 -0.196 -0.896 2.156 + 1ACE C 5 -0.220 -0.729 2.280 + 1ACE O 6 -0.308 -0.688 2.356 + 2ALA N 7 -0.147 -0.647 2.204 + 2ALA H 8 -0.071 -0.691 2.155 + 2ALA CA 9 -0.157 -0.505 2.176 + 2ALA HA 10 -0.129 -0.445 2.263 + 2ALA CB 11 -0.045 -0.471 2.078 + 2ALA HB1 12 -0.028 -0.364 2.080 + 2ALA HB2 13 -0.068 -0.494 1.974 + 2ALA HB3 14 0.054 -0.507 2.107 + 2ALA C 15 -0.296 -0.458 2.137 + 2ALA O 16 -0.349 -0.361 2.190 + 3ALA N 17 -0.362 -0.534 2.049 + 3ALA H 18 -0.324 -0.625 2.025 + 3ALA CA 19 -0.493 -0.503 1.995 + 3ALA HA 20 -0.546 -0.426 2.051 + 3ALA CB 21 -0.466 -0.445 1.856 + 3ALA HB1 22 -0.427 -0.343 1.862 + 3ALA HB2 23 -0.556 -0.455 1.794 + 3ALA HB3 24 -0.387 -0.496 1.801 + 3ALA C 25 -0.575 -0.631 1.995 + 3ALA O 26 -0.524 -0.740 1.970 + 4ALA N 27 -0.705 -0.616 2.018 + 4ALA H 28 -0.750 -0.526 2.009 + 4ALA CA 29 -0.804 -0.722 2.011 + 4ALA HA 30 -0.779 -0.787 1.927 + 4ALA CB 31 -0.793 -0.815 2.132 + 4ALA HB1 32 -0.869 -0.893 2.122 + 4ALA HB2 33 -0.829 -0.763 2.221 + 4ALA HB3 34 -0.691 -0.852 2.138 + 4ALA C 35 -0.945 -0.671 1.990 + 4ALA O 36 -0.978 -0.561 2.034 + 5ALA N 37 -1.036 -0.754 1.938 + 5ALA H 38 -1.006 -0.843 1.900 + 5ALA CA 39 -1.177 -0.724 1.928 + 5ALA HA 40 -1.211 -0.678 2.021 + 5ALA CB 41 -1.220 -0.618 1.826 + 5ALA HB1 42 -1.183 -0.518 1.849 + 5ALA HB2 43 -1.327 -0.598 1.820 + 5ALA HB3 44 -1.178 -0.651 1.732 + 5ALA C 45 -1.260 -0.848 1.897 + 5ALA O 46 -1.204 -0.935 1.831 + 6ALA N 47 -1.380 -0.861 1.955 + 6ALA H 48 -1.422 -0.777 1.994 + 6ALA CA 49 -1.473 -0.968 1.927 + 6ALA HA 50 -1.451 -1.006 1.827 + 6ALA CB 51 -1.451 -1.087 2.021 + 6ALA HB1 52 -1.467 -1.068 2.127 + 6ALA HB2 53 -1.349 -1.119 2.001 + 6ALA HB3 54 -1.517 -1.171 1.998 + 6ALA C 55 -1.615 -0.915 1.929 + 6ALA O 56 -1.648 -0.817 1.995 + 7ALA N 57 -1.698 -0.980 1.847 + 7ALA H 58 -1.650 -1.048 1.788 + 7ALA CA 59 -1.822 -0.947 1.780 + 7ALA HA 60 -1.841 -1.039 1.726 + 7ALA CB 61 -1.936 -0.942 1.881 + 7ALA HB1 62 -1.917 -1.012 1.963 + 7ALA HB2 63 -2.028 -0.972 1.830 + 7ALA HB3 64 -1.948 -0.843 1.924 + 7ALA C 65 -1.813 -0.836 1.676 + 7ALA O 66 -1.869 -0.851 1.568 + 8ALA N 67 -1.746 -0.724 1.708 + 8ALA H 68 -1.718 -0.717 1.805 + 8ALA CA 69 -1.713 -0.618 1.616 + 8ALA HA 70 -1.799 -0.598 1.551 + 8ALA CB 71 -1.687 -0.486 1.688 + 8ALA HB1 72 -1.769 -0.456 1.754 + 8ALA HB2 73 -1.666 -0.407 1.616 + 8ALA HB3 74 -1.605 -0.504 1.757 + 8ALA C 75 -1.598 -0.667 1.528 + 8ALA O 76 -1.483 -0.636 1.557 + 9ALA N 77 -1.629 -0.758 1.435 + 9ALA H 78 -1.728 -0.779 1.435 + 9ALA CA 79 -1.543 -0.860 1.379 + 9ALA HA 80 -1.603 -0.934 1.326 + 9ALA CB 81 -1.451 -0.803 1.272 + 9ALA HB1 82 -1.363 -0.758 1.317 + 9ALA HB2 83 -1.503 -0.739 1.201 + 9ALA HB3 84 -1.409 -0.886 1.214 + 9ALA C 85 -1.482 -0.951 1.485 + 9ALA O 86 -1.537 -0.965 1.594 + 10ALA N 87 -1.367 -1.012 1.458 + 10ALA H 88 -1.329 -1.008 1.364 + 10ALA CA 89 -1.294 -1.104 1.543 + 10ALA HA 90 -1.301 -1.096 1.652 + 10ALA CB 91 -1.358 -1.239 1.510 + 10ALA HB1 92 -1.349 -1.253 1.402 + 10ALA HB2 93 -1.465 -1.241 1.531 + 10ALA HB3 94 -1.313 -1.323 1.562 + 10ALA C 95 -1.147 -1.095 1.507 + 10ALA O 96 -1.106 -1.138 1.399 + 11ALA N 97 -1.067 -1.037 1.597 + 11ALA H 98 -1.108 -1.022 1.688 + 11ALA CA 99 -0.930 -1.000 1.570 + 11ALA HA 100 -0.895 -1.065 1.490 + 11ALA CB 101 -0.931 -0.858 1.513 + 11ALA HB1 102 -0.829 -0.825 1.499 + 11ALA HB2 103 -0.975 -0.793 1.589 + 11ALA HB3 104 -0.994 -0.847 1.424 + 11ALA C 105 -0.842 -1.008 1.694 + 11ALA O 106 -0.891 -0.993 1.806 + 12ALA N 107 -0.711 -1.030 1.681 + 12ALA H 108 -0.671 -1.052 1.591 + 12ALA CA 109 -0.616 -1.022 1.791 + 12ALA HA 110 -0.648 -0.936 1.849 + 12ALA CB 111 -0.612 -1.146 1.879 + 12ALA HB1 112 -0.691 -1.151 1.954 + 12ALA HB2 113 -0.530 -1.139 1.951 + 12ALA HB3 114 -0.617 -1.237 1.819 + 12ALA C 115 -0.471 -1.009 1.747 + 12ALA O 116 -0.438 -1.073 1.648 + 13ALA N 117 -0.390 -0.924 1.811 + 13ALA H 118 -0.421 -0.858 1.881 + 13ALA CA 119 -0.262 -0.887 1.754 + 13ALA HA 120 -0.215 -0.976 1.712 + 13ALA CB 121 -0.288 -0.775 1.654 + 13ALA HB1 122 -0.299 -0.674 1.692 + 13ALA HB2 123 -0.375 -0.802 1.593 + 13ALA HB3 124 -0.204 -0.772 1.584 + 13ALA C 125 -0.170 -0.836 1.863 + 13ALA O 126 -0.204 -0.760 1.953 + 14NME N 127 -0.042 -0.871 1.844 + 14NME H 128 -0.026 -0.932 1.766 + 14NME CH3 129 0.070 -0.836 1.929 + 14NME HH31 130 0.138 -0.776 1.869 + 14NME HH32 131 0.114 -0.917 1.988 + 14NME HH33 132 0.042 -0.771 2.011 + 100.0000000 100.0000000 100.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 +Made with PLUMED t=0.300000 +132 + 1ACE HH31 1 -1.224 -0.701 1.570 + 1ACE CH3 2 -1.211 -0.800 1.526 + 1ACE HH32 3 -1.288 -0.872 1.553 + 1ACE HH33 4 -1.210 -0.786 1.418 + 1ACE C 5 -1.076 -0.857 1.569 + 1ACE O 6 -1.036 -0.960 1.517 + 2ALA N 7 -0.996 -0.794 1.656 + 2ALA H 8 -1.048 -0.715 1.692 + 2ALA CA 9 -0.855 -0.814 1.681 + 2ALA HA 10 -0.830 -0.900 1.619 + 2ALA CB 11 -0.773 -0.695 1.632 + 2ALA HB1 12 -0.801 -0.612 1.697 + 2ALA HB2 13 -0.803 -0.670 1.531 + 2ALA HB3 14 -0.667 -0.720 1.629 + 2ALA C 15 -0.839 -0.850 1.827 + 2ALA O 16 -0.761 -0.789 1.900 + 3ALA N 17 -0.908 -0.956 1.871 + 3ALA H 18 -0.984 -0.997 1.819 + 3ALA CA 19 -0.916 -0.995 2.011 + 3ALA HA 20 -0.993 -1.072 2.017 + 3ALA CB 21 -0.782 -1.058 2.049 + 3ALA HB1 22 -0.747 -1.140 1.986 + 3ALA HB2 23 -0.799 -1.102 2.147 + 3ALA HB3 24 -0.700 -0.986 2.046 + 3ALA C 25 -0.971 -0.893 2.111 + 3ALA O 26 -1.074 -0.915 2.173 + 4ALA N 27 -0.879 -0.801 2.142 + 4ALA H 28 -0.807 -0.799 2.071 + 4ALA CA 29 -0.897 -0.689 2.231 + 4ALA HA 30 -0.996 -0.685 2.278 + 4ALA CB 31 -0.801 -0.712 2.347 + 4ALA HB1 32 -0.787 -0.622 2.407 + 4ALA HB2 33 -0.702 -0.744 2.314 + 4ALA HB3 34 -0.843 -0.784 2.417 + 4ALA C 35 -0.873 -0.553 2.166 + 4ALA O 36 -0.926 -0.452 2.211 + 5ALA N 37 -0.796 -0.546 2.057 + 5ALA H 38 -0.792 -0.631 2.004 + 5ALA CA 39 -0.722 -0.428 2.017 + 5ALA HA 40 -0.658 -0.397 2.100 + 5ALA CB 41 -0.617 -0.483 1.921 + 5ALA HB1 42 -0.545 -0.538 1.981 + 5ALA HB2 43 -0.563 -0.397 1.881 + 5ALA HB3 44 -0.648 -0.546 1.838 + 5ALA C 45 -0.814 -0.323 1.957 + 5ALA O 46 -0.829 -0.316 1.835 + 6ALA N 47 -0.886 -0.243 2.035 + 6ALA H 48 -0.880 -0.255 2.135 + 6ALA CA 49 -0.991 -0.149 1.999 + 6ALA HA 50 -1.021 -0.097 2.090 + 6ALA CB 51 -0.949 -0.044 1.898 + 6ALA HB1 52 -0.921 -0.097 1.807 + 6ALA HB2 53 -0.864 0.008 1.942 + 6ALA HB3 54 -1.037 0.018 1.878 + 6ALA C 55 -1.115 -0.223 1.950 + 6ALA O 56 -1.227 -0.186 1.986 + 7ALA N 57 -1.100 -0.333 1.877 + 7ALA H 58 -1.006 -0.352 1.844 + 7ALA CA 59 -1.206 -0.414 1.820 + 7ALA HA 60 -1.304 -0.366 1.824 + 7ALA CB 61 -1.161 -0.427 1.675 + 7ALA HB1 62 -1.082 -0.498 1.652 + 7ALA HB2 63 -1.130 -0.334 1.627 + 7ALA HB3 64 -1.241 -0.461 1.608 + 7ALA C 65 -1.213 -0.549 1.890 + 7ALA O 66 -1.135 -0.635 1.851 + 8ALA N 67 -1.297 -0.568 1.992 + 8ALA H 68 -1.357 -0.489 2.011 + 8ALA CA 69 -1.295 -0.671 2.093 + 8ALA HA 70 -1.197 -0.719 2.096 + 8ALA CB 71 -1.313 -0.603 2.229 + 8ALA HB1 72 -1.417 -0.572 2.228 + 8ALA HB2 73 -1.247 -0.517 2.230 + 8ALA HB3 74 -1.282 -0.674 2.306 + 8ALA C 75 -1.394 -0.779 2.054 + 8ALA O 76 -1.506 -0.784 2.105 + 9ALA N 77 -1.349 -0.861 1.958 + 9ALA H 78 -1.259 -0.837 1.918 + 9ALA CA 79 -1.399 -0.990 1.917 + 9ALA HA 80 -1.414 -1.050 2.007 + 9ALA CB 81 -1.536 -0.972 1.853 + 9ALA HB1 82 -1.607 -0.937 1.928 + 9ALA HB2 83 -1.574 -1.071 1.826 + 9ALA HB3 84 -1.536 -0.908 1.765 + 9ALA C 85 -1.290 -1.058 1.836 + 9ALA O 86 -1.173 -1.019 1.831 + 10ALA N 87 -1.334 -1.164 1.766 + 10ALA H 88 -1.430 -1.187 1.748 + 10ALA CA 89 -1.243 -1.246 1.689 + 10ALA HA 90 -1.141 -1.208 1.695 + 10ALA CB 91 -1.240 -1.384 1.754 + 10ALA HB1 92 -1.186 -1.396 1.848 + 10ALA HB2 93 -1.191 -1.452 1.686 + 10ALA HB3 94 -1.339 -1.427 1.770 + 10ALA C 95 -1.286 -1.247 1.543 + 10ALA O 96 -1.394 -1.297 1.514 + 11ALA N 97 -1.195 -1.200 1.458 + 11ALA H 98 -1.120 -1.143 1.496 + 11ALA CA 99 -1.194 -1.228 1.316 + 11ALA HA 100 -1.223 -1.333 1.306 + 11ALA CB 101 -1.290 -1.135 1.242 + 11ALA HB1 102 -1.392 -1.166 1.263 + 11ALA HB2 103 -1.264 -1.132 1.136 + 11ALA HB3 104 -1.280 -1.032 1.275 + 11ALA C 105 -1.049 -1.215 1.270 + 11ALA O 106 -0.997 -1.318 1.228 + 12ALA N 107 -0.994 -1.093 1.267 + 12ALA H 108 -1.051 -1.026 1.316 + 12ALA CA 109 -0.856 -1.063 1.235 + 12ALA HA 110 -0.833 -1.082 1.130 + 12ALA CB 111 -0.825 -0.915 1.250 + 12ALA HB1 112 -0.818 -0.886 1.354 + 12ALA HB2 113 -0.895 -0.846 1.201 + 12ALA HB3 114 -0.732 -0.879 1.205 + 12ALA C 115 -0.756 -1.136 1.325 + 12ALA O 116 -0.652 -1.180 1.278 + 13ALA N 117 -0.791 -1.146 1.454 + 13ALA H 118 -0.879 -1.106 1.484 + 13ALA CA 119 -0.705 -1.188 1.563 + 13ALA HA 120 -0.756 -1.155 1.654 + 13ALA CB 121 -0.709 -1.341 1.567 + 13ALA HB1 122 -0.690 -1.383 1.469 + 13ALA HB2 123 -0.800 -1.376 1.615 + 13ALA HB3 124 -0.628 -1.370 1.635 + 13ALA C 125 -0.572 -1.116 1.551 + 13ALA O 126 -0.563 -0.994 1.561 + 14NME N 127 -0.463 -1.194 1.540 + 14NME H 128 -0.486 -1.291 1.526 + 14NME CH3 129 -0.331 -1.137 1.531 + 14NME HH31 130 -0.296 -1.121 1.429 + 14NME HH32 131 -0.263 -1.215 1.564 + 14NME HH33 132 -0.327 -1.051 1.598 + 100.0000000 100.0000000 100.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 +Made with PLUMED t=0.350000 +132 + 1ACE HH31 1 -0.326 -0.921 2.604 + 1ACE CH3 2 -0.404 -0.848 2.581 + 1ACE HH32 3 -0.482 -0.848 2.657 + 1ACE HH33 4 -0.367 -0.745 2.579 + 1ACE C 5 -0.470 -0.880 2.448 + 1ACE O 6 -0.409 -0.934 2.357 + 2ALA N 7 -0.603 -0.866 2.443 + 2ALA H 8 -0.638 -0.830 2.530 + 2ALA CA 9 -0.679 -0.868 2.319 + 2ALA HA 10 -0.651 -0.951 2.254 + 2ALA CB 11 -0.827 -0.891 2.347 + 2ALA HB1 12 -0.881 -0.842 2.267 + 2ALA HB2 13 -0.862 -0.854 2.444 + 2ALA HB3 14 -0.851 -0.997 2.340 + 2ALA C 15 -0.653 -0.736 2.248 + 2ALA O 16 -0.668 -0.629 2.307 + 3ALA N 17 -0.640 -0.740 2.115 + 3ALA H 18 -0.626 -0.833 2.078 + 3ALA CA 19 -0.637 -0.630 2.022 + 3ALA HA 20 -0.575 -0.554 2.070 + 3ALA CB 21 -0.564 -0.672 1.895 + 3ALA HB1 22 -0.596 -0.770 1.859 + 3ALA HB2 23 -0.458 -0.670 1.922 + 3ALA HB3 24 -0.572 -0.601 1.813 + 3ALA C 25 -0.769 -0.559 1.993 + 3ALA O 26 -0.825 -0.563 1.884 + 4ALA N 27 -0.824 -0.498 2.098 + 4ALA H 28 -0.785 -0.529 2.187 + 4ALA CA 29 -0.931 -0.400 2.094 + 4ALA HA 30 -0.967 -0.408 2.197 + 4ALA CB 31 -0.867 -0.263 2.078 + 4ALA HB1 32 -0.818 -0.265 1.981 + 4ALA HB2 33 -0.790 -0.248 2.154 + 4ALA HB3 34 -0.935 -0.179 2.092 + 4ALA C 35 -1.051 -0.440 2.010 + 4ALA O 36 -1.116 -0.543 2.026 + 5ALA N 37 -1.085 -0.351 1.917 + 5ALA H 38 -1.047 -0.257 1.926 + 5ALA CA 39 -1.200 -0.367 1.831 + 5ALA HA 40 -1.292 -0.372 1.889 + 5ALA CB 41 -1.207 -0.235 1.755 + 5ALA HB1 42 -1.220 -0.163 1.835 + 5ALA HB2 43 -1.292 -0.238 1.687 + 5ALA HB3 44 -1.115 -0.214 1.700 + 5ALA C 45 -1.190 -0.488 1.738 + 5ALA O 46 -1.286 -0.562 1.718 + 6ALA N 47 -1.075 -0.497 1.671 + 6ALA H 48 -1.011 -0.426 1.704 + 6ALA CA 49 -1.032 -0.612 1.594 + 6ALA HA 50 -1.092 -0.610 1.503 + 6ALA CB 51 -0.885 -0.593 1.559 + 6ALA HB1 52 -0.860 -0.487 1.558 + 6ALA HB2 53 -0.876 -0.633 1.458 + 6ALA HB3 54 -0.819 -0.652 1.622 + 6ALA C 55 -1.047 -0.749 1.658 + 6ALA O 56 -1.086 -0.845 1.591 + 7ALA N 57 -1.010 -0.753 1.786 + 7ALA H 58 -0.966 -0.670 1.822 + 7ALA CA 59 -1.036 -0.871 1.867 + 7ALA HA 60 -1.011 -0.963 1.814 + 7ALA CB 61 -0.938 -0.863 1.983 + 7ALA HB1 62 -0.838 -0.858 1.940 + 7ALA HB2 63 -0.940 -0.946 2.053 + 7ALA HB3 64 -0.957 -0.770 2.037 + 7ALA C 65 -1.181 -0.888 1.912 + 7ALA O 66 -1.234 -0.998 1.911 + 8ALA N 67 -1.240 -0.780 1.963 + 8ALA H 68 -1.194 -0.690 1.964 + 8ALA CA 69 -1.380 -0.784 2.000 + 8ALA HA 70 -1.387 -0.862 2.075 + 8ALA CB 71 -1.413 -0.651 2.067 + 8ALA HB1 72 -1.343 -0.624 2.147 + 8ALA HB2 73 -1.511 -0.651 2.116 + 8ALA HB3 74 -1.412 -0.572 1.992 + 8ALA C 75 -1.473 -0.825 1.886 + 8ALA O 76 -1.577 -0.882 1.914 + 9ALA N 77 -1.437 -0.792 1.762 + 9ALA H 78 -1.370 -0.718 1.749 + 9ALA CA 79 -1.513 -0.839 1.648 + 9ALA HA 80 -1.616 -0.853 1.681 + 9ALA CB 81 -1.517 -0.721 1.552 + 9ALA HB1 82 -1.569 -0.646 1.612 + 9ALA HB2 83 -1.573 -0.755 1.465 + 9ALA HB3 84 -1.411 -0.704 1.530 + 9ALA C 85 -1.453 -0.965 1.587 + 9ALA O 86 -1.506 -1.026 1.494 + 10ALA N 87 -1.339 -1.015 1.635 + 10ALA H 88 -1.301 -0.983 1.723 + 10ALA CA 89 -1.282 -1.141 1.592 + 10ALA HA 90 -1.193 -1.143 1.655 + 10ALA CB 91 -1.366 -1.258 1.641 + 10ALA HB1 92 -1.454 -1.246 1.578 + 10ALA HB2 93 -1.402 -1.248 1.744 + 10ALA HB3 94 -1.313 -1.352 1.623 + 10ALA C 95 -1.229 -1.154 1.450 + 10ALA O 96 -1.240 -1.254 1.380 + 11ALA N 97 -1.140 -1.059 1.420 + 11ALA H 98 -1.131 -0.991 1.494 + 11ALA CA 99 -1.053 -1.062 1.304 + 11ALA HA 100 -1.091 -1.135 1.232 + 11ALA CB 101 -1.050 -0.921 1.245 + 11ALA HB1 102 -1.008 -0.932 1.145 + 11ALA HB2 103 -0.986 -0.861 1.311 + 11ALA HB3 104 -1.151 -0.886 1.226 + 11ALA C 105 -0.911 -1.102 1.339 + 11ALA O 106 -0.847 -1.180 1.269 + 12ALA N 107 -0.855 -1.044 1.446 + 12ALA H 108 -0.911 -0.977 1.497 + 12ALA CA 109 -0.712 -1.052 1.469 + 12ALA HA 110 -0.670 -1.144 1.428 + 12ALA CB 111 -0.649 -0.931 1.402 + 12ALA HB1 112 -0.541 -0.946 1.414 + 12ALA HB2 113 -0.676 -0.836 1.448 + 12ALA HB3 114 -0.679 -0.939 1.298 + 12ALA C 115 -0.700 -1.049 1.621 + 12ALA O 116 -0.692 -0.943 1.682 + 13ALA N 117 -0.722 -1.163 1.688 + 13ALA H 118 -0.725 -1.253 1.641 + 13ALA CA 119 -0.732 -1.169 1.832 + 13ALA HA 120 -0.830 -1.130 1.860 + 13ALA CB 121 -0.735 -1.315 1.875 + 13ALA HB1 122 -0.639 -1.364 1.857 + 13ALA HB2 123 -0.826 -1.366 1.846 + 13ALA HB3 124 -0.742 -1.320 1.984 + 13ALA C 125 -0.631 -1.095 1.919 + 13ALA O 126 -0.671 -1.037 2.019 + 14NME N 127 -0.501 -1.107 1.889 + 14NME H 128 -0.473 -1.155 1.805 + 14NME CH3 129 -0.388 -1.051 1.961 + 14NME HH31 130 -0.300 -1.105 1.927 + 14NME HH32 131 -0.420 -1.061 2.064 + 14NME HH33 132 -0.367 -0.946 1.937 + 100.0000000 100.0000000 100.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 +Made with PLUMED t=0.400000 +132 + 1ACE HH31 1 -0.264 -1.191 1.743 + 1ACE CH3 2 -0.363 -1.148 1.752 + 1ACE HH32 3 -0.355 -1.057 1.693 + 1ACE HH33 4 -0.426 -1.225 1.706 + 1ACE C 5 -0.420 -1.129 1.892 + 1ACE O 6 -0.459 -1.224 1.960 + 2ALA N 7 -0.423 -1.003 1.934 + 2ALA H 8 -0.418 -0.933 1.861 + 2ALA CA 9 -0.438 -0.947 2.067 + 2ALA HA 10 -0.469 -1.016 2.145 + 2ALA CB 11 -0.299 -0.894 2.101 + 2ALA HB1 12 -0.265 -0.824 2.025 + 2ALA HB2 13 -0.226 -0.975 2.096 + 2ALA HB3 14 -0.297 -0.838 2.194 + 2ALA C 15 -0.540 -0.834 2.075 + 2ALA O 16 -0.647 -0.851 2.133 + 3ALA N 17 -0.510 -0.720 2.013 + 3ALA H 18 -0.421 -0.712 1.964 + 3ALA CA 19 -0.598 -0.605 2.008 + 3ALA HA 20 -0.642 -0.600 2.108 + 3ALA CB 21 -0.526 -0.476 1.972 + 3ALA HB1 22 -0.597 -0.393 1.972 + 3ALA HB2 23 -0.489 -0.493 1.871 + 3ALA HB3 24 -0.439 -0.456 2.033 + 3ALA C 25 -0.712 -0.632 1.911 + 3ALA O 26 -0.706 -0.594 1.794 + 4ALA N 27 -0.819 -0.682 1.974 + 4ALA H 28 -0.817 -0.723 2.067 + 4ALA CA 29 -0.952 -0.675 1.918 + 4ALA HA 30 -0.962 -0.729 1.824 + 4ALA CB 31 -1.050 -0.735 2.018 + 4ALA HB1 32 -1.153 -0.734 1.982 + 4ALA HB2 33 -1.065 -0.695 2.118 + 4ALA HB3 34 -1.028 -0.842 2.023 + 4ALA C 35 -0.996 -0.532 1.890 + 4ALA O 36 -1.011 -0.446 1.977 + 5ALA N 37 -1.007 -0.505 1.760 + 5ALA H 38 -0.963 -0.562 1.689 + 5ALA CA 39 -1.081 -0.392 1.708 + 5ALA HA 40 -1.049 -0.311 1.772 + 5ALA CB 41 -1.061 -0.357 1.561 + 5ALA HB1 42 -1.068 -0.448 1.502 + 5ALA HB2 43 -0.960 -0.321 1.541 + 5ALA HB3 44 -1.118 -0.271 1.526 + 5ALA C 45 -1.231 -0.405 1.734 + 5ALA O 46 -1.309 -0.441 1.646 + 6ALA N 47 -1.271 -0.394 1.861 + 6ALA H 48 -1.196 -0.374 1.925 + 6ALA CA 49 -1.399 -0.433 1.917 + 6ALA HA 50 -1.384 -0.409 2.022 + 6ALA CB 51 -1.509 -0.340 1.865 + 6ALA HB1 52 -1.534 -0.364 1.762 + 6ALA HB2 53 -1.484 -0.234 1.868 + 6ALA HB3 54 -1.599 -0.347 1.927 + 6ALA C 55 -1.444 -0.577 1.903 + 6ALA O 56 -1.450 -0.648 2.004 + 7ALA N 57 -1.472 -0.619 1.779 + 7ALA H 58 -1.463 -0.537 1.720 + 7ALA CA 59 -1.507 -0.751 1.733 + 7ALA HA 60 -1.615 -0.762 1.744 + 7ALA CB 61 -1.476 -0.741 1.584 + 7ALA HB1 62 -1.494 -0.825 1.517 + 7ALA HB2 63 -1.375 -0.710 1.558 + 7ALA HB3 64 -1.546 -0.665 1.550 + 7ALA C 65 -1.450 -0.867 1.814 + 7ALA O 66 -1.347 -0.920 1.774 + 8ALA N 67 -1.518 -0.918 1.917 + 8ALA H 68 -1.599 -0.864 1.943 + 8ALA CA 69 -1.465 -0.998 2.026 + 8ALA HA 70 -1.397 -0.928 2.073 + 8ALA CB 71 -1.577 -1.034 2.123 + 8ALA HB1 72 -1.602 -0.940 2.173 + 8ALA HB2 73 -1.543 -1.094 2.207 + 8ALA HB3 74 -1.659 -1.081 2.070 + 8ALA C 75 -1.393 -1.125 1.982 + 8ALA O 76 -1.460 -1.219 1.938 + 9ALA N 77 -1.260 -1.129 1.988 + 9ALA H 78 -1.210 -1.047 2.021 + 9ALA CA 79 -1.170 -1.219 1.919 + 9ALA HA 80 -1.073 -1.182 1.952 + 9ALA CB 81 -1.182 -1.357 1.984 + 9ALA HB1 82 -1.102 -1.421 1.945 + 9ALA HB2 83 -1.281 -1.403 1.977 + 9ALA HB3 84 -1.173 -1.361 2.092 + 9ALA C 85 -1.171 -1.224 1.767 + 9ALA O 86 -1.065 -1.224 1.704 + 10ALA N 87 -1.285 -1.196 1.704 + 10ALA H 88 -1.366 -1.201 1.764 + 10ALA CA 89 -1.303 -1.179 1.561 + 10ALA HA 90 -1.288 -1.275 1.511 + 10ALA CB 91 -1.447 -1.135 1.536 + 10ALA HB1 92 -1.447 -1.086 1.438 + 10ALA HB2 93 -1.475 -1.067 1.616 + 10ALA HB3 94 -1.520 -1.216 1.528 + 10ALA C 95 -1.208 -1.089 1.483 + 10ALA O 96 -1.179 -1.108 1.365 + 11ALA N 97 -1.153 -0.986 1.548 + 11ALA H 98 -1.171 -0.973 1.646 + 11ALA CA 99 -1.054 -0.899 1.488 + 11ALA HA 100 -1.004 -0.959 1.411 + 11ALA CB 101 -1.121 -0.778 1.423 + 11ALA HB1 102 -1.216 -0.812 1.383 + 11ALA HB2 103 -1.061 -0.728 1.347 + 11ALA HB3 104 -1.131 -0.699 1.496 + 11ALA C 105 -0.939 -0.871 1.583 + 11ALA O 106 -0.890 -0.758 1.581 + 12ALA N 107 -0.894 -0.966 1.666 + 12ALA H 108 -0.936 -1.056 1.650 + 12ALA CA 109 -0.769 -0.970 1.738 + 12ALA HA 110 -0.775 -0.894 1.816 + 12ALA CB 111 -0.754 -1.103 1.812 + 12ALA HB1 112 -0.851 -1.136 1.847 + 12ALA HB2 113 -0.694 -1.076 1.899 + 12ALA HB3 114 -0.701 -1.177 1.751 + 12ALA C 115 -0.650 -0.940 1.648 + 12ALA O 116 -0.608 -1.035 1.582 + 13ALA N 117 -0.606 -0.814 1.647 + 13ALA H 118 -0.653 -0.744 1.701 + 13ALA CA 119 -0.519 -0.761 1.544 + 13ALA HA 120 -0.494 -0.840 1.473 + 13ALA CB 121 -0.587 -0.650 1.464 + 13ALA HB1 122 -0.660 -0.699 1.400 + 13ALA HB2 123 -0.518 -0.591 1.403 + 13ALA HB3 124 -0.622 -0.589 1.548 + 13ALA C 125 -0.383 -0.725 1.603 + 13ALA O 126 -0.364 -0.748 1.722 + 14NME N 127 -0.285 -0.688 1.519 + 14NME H 128 -0.298 -0.673 1.420 + 14NME CH3 129 -0.157 -0.652 1.575 + 14NME HH31 130 -0.121 -0.717 1.655 + 14NME HH32 131 -0.163 -0.554 1.623 + 14NME HH33 132 -0.080 -0.648 1.497 + 100.0000000 100.0000000 100.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 +Made with PLUMED t=0.450000 +132 + 1ACE HH31 1 -0.627 -0.539 2.184 + 1ACE CH3 2 -0.697 -0.622 2.183 + 1ACE HH32 3 -0.703 -0.663 2.082 + 1ACE HH33 4 -0.667 -0.704 2.248 + 1ACE C 5 -0.839 -0.578 2.218 + 1ACE O 6 -0.873 -0.463 2.192 + 2ALA N 7 -0.917 -0.667 2.278 + 2ALA H 8 -0.887 -0.763 2.283 + 2ALA CA 9 -1.050 -0.633 2.327 + 2ALA HA 10 -1.104 -0.587 2.244 + 2ALA CB 11 -1.127 -0.757 2.368 + 2ALA HB1 12 -1.087 -0.842 2.312 + 2ALA HB2 13 -1.231 -0.746 2.336 + 2ALA HB3 14 -1.120 -0.778 2.475 + 2ALA C 15 -1.044 -0.528 2.438 + 2ALA O 16 -1.132 -0.442 2.447 + 3ALA N 17 -0.961 -0.540 2.541 + 3ALA H 18 -0.911 -0.627 2.535 + 3ALA CA 19 -0.953 -0.447 2.652 + 3ALA HA 20 -1.049 -0.403 2.681 + 3ALA CB 21 -0.908 -0.527 2.773 + 3ALA HB1 22 -0.820 -0.589 2.755 + 3ALA HB2 23 -0.992 -0.586 2.809 + 3ALA HB3 24 -0.884 -0.462 2.857 + 3ALA C 25 -0.865 -0.329 2.615 + 3ALA O 26 -0.757 -0.304 2.668 + 4ALA N 27 -0.910 -0.268 2.505 + 4ALA H 28 -0.999 -0.300 2.469 + 4ALA CA 29 -0.840 -0.168 2.427 + 4ALA HA 30 -0.814 -0.084 2.493 + 4ALA CB 31 -0.707 -0.222 2.375 + 4ALA HB1 32 -0.728 -0.319 2.329 + 4ALA HB2 33 -0.628 -0.238 2.450 + 4ALA HB3 34 -0.662 -0.151 2.306 + 4ALA C 35 -0.937 -0.113 2.324 + 4ALA O 36 -0.993 -0.006 2.346 + 5ALA N 37 -0.962 -0.189 2.216 + 5ALA H 38 -0.930 -0.285 2.220 + 5ALA CA 39 -1.035 -0.150 2.098 + 5ALA HA 40 -1.102 -0.069 2.130 + 5ALA CB 41 -0.929 -0.102 2.000 + 5ALA HB1 42 -0.883 -0.189 1.953 + 5ALA HB2 43 -0.862 -0.029 2.045 + 5ALA HB3 44 -0.970 -0.050 1.913 + 5ALA C 45 -1.134 -0.257 2.056 + 5ALA O 46 -1.254 -0.235 2.074 + 6ALA N 47 -1.089 -0.376 2.014 + 6ALA H 48 -0.991 -0.396 2.002 + 6ALA CA 49 -1.173 -0.487 1.976 + 6ALA HA 50 -1.248 -0.512 2.052 + 6ALA CB 51 -1.250 -0.449 1.850 + 6ALA HB1 52 -1.304 -0.355 1.864 + 6ALA HB2 53 -1.320 -0.525 1.815 + 6ALA HB3 54 -1.178 -0.433 1.770 + 6ALA C 55 -1.086 -0.606 1.937 + 6ALA O 56 -0.966 -0.591 1.912 + 7ALA N 57 -1.148 -0.724 1.938 + 7ALA H 58 -1.247 -0.722 1.956 + 7ALA CA 59 -1.090 -0.847 1.890 + 7ALA HA 60 -0.989 -0.858 1.929 + 7ALA CB 61 -1.172 -0.961 1.949 + 7ALA HB1 62 -1.276 -0.944 1.920 + 7ALA HB2 63 -1.171 -0.956 2.058 + 7ALA HB3 64 -1.145 -1.063 1.924 + 7ALA C 65 -1.083 -0.847 1.738 + 7ALA O 66 -1.135 -0.940 1.677 + 8ALA N 67 -1.010 -0.758 1.671 + 8ALA H 68 -0.974 -0.684 1.730 + 8ALA CA 69 -1.019 -0.731 1.529 + 8ALA HA 70 -1.123 -0.705 1.505 + 8ALA CB 71 -0.948 -0.600 1.496 + 8ALA HB1 72 -0.842 -0.596 1.522 + 8ALA HB2 73 -1.007 -0.528 1.554 + 8ALA HB3 74 -0.962 -0.583 1.389 + 8ALA C 75 -0.969 -0.841 1.437 + 8ALA O 76 -1.044 -0.913 1.371 + 9ALA N 77 -0.838 -0.863 1.430 + 9ALA H 78 -0.764 -0.814 1.478 + 9ALA CA 79 -0.778 -0.982 1.373 + 9ALA HA 80 -0.796 -0.972 1.266 + 9ALA CB 81 -0.627 -0.969 1.391 + 9ALA HB1 82 -0.566 -1.052 1.356 + 9ALA HB2 83 -0.601 -0.956 1.496 + 9ALA HB3 84 -0.586 -0.887 1.331 + 9ALA C 85 -0.836 -1.113 1.424 + 9ALA O 86 -0.850 -1.206 1.345 + 10ALA N 87 -0.868 -1.127 1.553 + 10ALA H 88 -0.848 -1.054 1.620 + 10ALA CA 89 -0.911 -1.254 1.608 + 10ALA HA 90 -0.832 -1.327 1.593 + 10ALA CB 91 -0.923 -1.243 1.760 + 10ALA HB1 92 -0.966 -1.335 1.800 + 10ALA HB2 93 -1.004 -1.174 1.781 + 10ALA HB3 94 -0.830 -1.201 1.798 + 10ALA C 95 -1.043 -1.306 1.551 + 10ALA O 96 -1.060 -1.417 1.503 + 11ALA N 97 -1.141 -1.216 1.543 + 11ALA H 98 -1.133 -1.128 1.591 + 11ALA CA 99 -1.274 -1.240 1.490 + 11ALA HA 100 -1.314 -1.331 1.535 + 11ALA CB 101 -1.360 -1.124 1.538 + 11ALA HB1 102 -1.343 -1.111 1.645 + 11ALA HB2 103 -1.462 -1.157 1.519 + 11ALA HB3 104 -1.348 -1.037 1.473 + 11ALA C 105 -1.275 -1.250 1.338 + 11ALA O 106 -1.351 -1.326 1.280 + 12ALA N 107 -1.192 -1.171 1.269 + 12ALA H 108 -1.124 -1.108 1.308 + 12ALA CA 109 -1.151 -1.198 1.133 + 12ALA HA 110 -1.237 -1.176 1.069 + 12ALA CB 111 -1.042 -1.102 1.088 + 12ALA HB1 112 -1.034 -1.111 0.980 + 12ALA HB2 113 -0.944 -1.136 1.123 + 12ALA HB3 114 -1.072 -1.001 1.115 + 12ALA C 115 -1.089 -1.333 1.098 + 12ALA O 116 -1.135 -1.398 1.004 + 13ALA N 117 -0.990 -1.387 1.168 + 13ALA H 118 -0.941 -1.320 1.226 + 13ALA CA 119 -0.942 -1.522 1.146 + 13ALA HA 120 -0.918 -1.533 1.040 + 13ALA CB 121 -0.812 -1.532 1.225 + 13ALA HB1 122 -0.740 -1.455 1.198 + 13ALA HB2 123 -0.764 -1.629 1.208 + 13ALA HB3 124 -0.826 -1.516 1.332 + 13ALA C 125 -1.047 -1.624 1.186 + 13ALA O 126 -1.077 -1.720 1.116 + 14NME N 127 -1.089 -1.616 1.313 + 14NME H 128 -1.057 -1.534 1.363 + 14NME CH3 129 -1.157 -1.721 1.385 + 14NME HH31 130 -1.195 -1.794 1.313 + 14NME HH32 131 -1.245 -1.672 1.427 + 14NME HH33 132 -1.087 -1.766 1.455 + 100.0000000 100.0000000 100.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 +Made with PLUMED t=0.500000 +132 + 1ACE HH31 1 -0.290 -0.494 2.251 + 1ACE CH3 2 -0.355 -0.422 2.301 + 1ACE HH32 3 -0.313 -0.370 2.388 + 1ACE HH33 4 -0.385 -0.347 2.228 + 1ACE C 5 -0.469 -0.506 2.357 + 1ACE O 6 -0.440 -0.613 2.410 + 2ALA N 7 -0.590 -0.450 2.362 + 2ALA H 8 -0.606 -0.366 2.308 + 2ALA CA 9 -0.702 -0.497 2.441 + 2ALA HA 10 -0.698 -0.606 2.436 + 2ALA CB 11 -0.676 -0.464 2.587 + 2ALA HB1 12 -0.574 -0.491 2.615 + 2ALA HB2 13 -0.735 -0.534 2.646 + 2ALA HB3 14 -0.691 -0.359 2.611 + 2ALA C 15 -0.836 -0.444 2.391 + 2ALA O 16 -0.848 -0.410 2.274 + 3ALA N 17 -0.932 -0.437 2.484 + 3ALA H 18 -0.917 -0.470 2.578 + 3ALA CA 19 -1.065 -0.382 2.469 + 3ALA HA 20 -1.122 -0.432 2.548 + 3ALA CB 21 -1.060 -0.232 2.494 + 3ALA HB1 22 -1.162 -0.196 2.482 + 3ALA HB2 23 -0.993 -0.182 2.424 + 3ALA HB3 24 -1.022 -0.211 2.594 + 3ALA C 25 -1.127 -0.433 2.340 + 3ALA O 26 -1.146 -0.552 2.312 + 4ALA N 27 -1.158 -0.338 2.252 + 4ALA H 28 -1.147 -0.244 2.286 + 4ALA CA 29 -1.211 -0.361 2.119 + 4ALA HA 30 -1.300 -0.423 2.134 + 4ALA CB 31 -1.235 -0.222 2.061 + 4ALA HB1 32 -1.280 -0.244 1.964 + 4ALA HB2 33 -1.145 -0.163 2.047 + 4ALA HB3 34 -1.296 -0.158 2.125 + 4ALA C 35 -1.110 -0.423 2.024 + 4ALA O 36 -1.145 -0.498 1.934 + 5ALA N 37 -0.983 -0.382 2.032 + 5ALA H 38 -0.950 -0.331 2.113 + 5ALA CA 39 -0.882 -0.420 1.936 + 5ALA HA 40 -0.920 -0.386 1.839 + 5ALA CB 41 -0.754 -0.337 1.947 + 5ALA HB1 42 -0.683 -0.363 1.870 + 5ALA HB2 43 -0.709 -0.347 2.046 + 5ALA HB3 44 -0.769 -0.233 1.920 + 5ALA C 45 -0.864 -0.571 1.932 + 5ALA O 46 -0.876 -0.627 1.823 + 6ALA N 47 -0.850 -0.633 2.049 + 6ALA H 48 -0.846 -0.575 2.131 + 6ALA CA 49 -0.850 -0.776 2.075 + 6ALA HA 50 -0.760 -0.826 2.042 + 6ALA CB 51 -0.850 -0.802 2.226 + 6ALA HB1 52 -0.842 -0.910 2.228 + 6ALA HB2 53 -0.941 -0.767 2.275 + 6ALA HB3 54 -0.764 -0.754 2.273 + 6ALA C 55 -0.964 -0.843 2.000 + 6ALA O 56 -0.944 -0.930 1.916 + 7ALA N 57 -1.088 -0.802 2.030 + 7ALA H 58 -1.093 -0.725 2.095 + 7ALA CA 59 -1.213 -0.849 1.974 + 7ALA HA 60 -1.210 -0.954 2.001 + 7ALA CB 61 -1.329 -0.776 2.043 + 7ALA HB1 62 -1.355 -0.817 2.140 + 7ALA HB2 63 -1.418 -0.796 1.984 + 7ALA HB3 64 -1.313 -0.668 2.048 + 7ALA C 65 -1.218 -0.840 1.822 + 7ALA O 66 -1.255 -0.938 1.758 + 8ALA N 67 -1.183 -0.726 1.763 + 8ALA H 68 -1.163 -0.647 1.823 + 8ALA CA 69 -1.158 -0.714 1.621 + 8ALA HA 70 -1.252 -0.747 1.577 + 8ALA CB 71 -1.119 -0.568 1.598 + 8ALA HB1 72 -1.122 -0.549 1.490 + 8ALA HB2 73 -1.020 -0.546 1.639 + 8ALA HB3 74 -1.188 -0.500 1.647 + 8ALA C 75 -1.052 -0.813 1.574 + 8ALA O 76 -1.070 -0.882 1.474 + 9ALA N 77 -0.942 -0.827 1.648 + 9ALA H 78 -0.933 -0.764 1.727 + 9ALA CA 79 -0.834 -0.918 1.615 + 9ALA HA 80 -0.797 -0.897 1.515 + 9ALA CB 81 -0.709 -0.901 1.701 + 9ALA HB1 82 -0.627 -0.946 1.645 + 9ALA HB2 83 -0.727 -0.940 1.801 + 9ALA HB3 84 -0.688 -0.795 1.712 + 9ALA C 85 -0.886 -1.060 1.609 + 9ALA O 86 -0.863 -1.131 1.511 + 10ALA N 87 -0.961 -1.104 1.711 + 10ALA H 88 -0.973 -1.050 1.796 + 10ALA CA 89 -1.024 -1.234 1.704 + 10ALA HA 90 -0.947 -1.309 1.687 + 10ALA CB 91 -1.087 -1.278 1.836 + 10ALA HB1 92 -1.013 -1.289 1.916 + 10ALA HB2 93 -1.133 -1.376 1.830 + 10ALA HB3 94 -1.168 -1.207 1.854 + 10ALA C 95 -1.125 -1.242 1.590 + 10ALA O 96 -1.131 -1.338 1.514 + 11ALA N 97 -1.208 -1.140 1.564 + 11ALA H 98 -1.203 -1.058 1.622 + 11ALA CA 99 -1.324 -1.157 1.479 + 11ALA HA 100 -1.383 -1.244 1.509 + 11ALA CB 101 -1.415 -1.036 1.496 + 11ALA HB1 102 -1.467 -1.042 1.592 + 11ALA HB2 103 -1.496 -1.050 1.425 + 11ALA HB3 104 -1.367 -0.938 1.490 + 11ALA C 105 -1.286 -1.171 1.333 + 11ALA O 106 -1.326 -1.259 1.257 + 12ALA N 107 -1.199 -1.081 1.286 + 12ALA H 108 -1.149 -1.022 1.351 + 12ALA CA 109 -1.153 -1.065 1.150 + 12ALA HA 110 -1.233 -1.086 1.079 + 12ALA CB 111 -1.104 -0.923 1.125 + 12ALA HB1 112 -1.047 -0.921 1.032 + 12ALA HB2 113 -1.038 -0.877 1.198 + 12ALA HB3 114 -1.187 -0.853 1.109 + 12ALA C 115 -1.040 -1.161 1.113 + 12ALA O 116 -1.029 -1.196 0.996 + 13ALA N 117 -0.956 -1.194 1.212 + 13ALA H 118 -0.980 -1.150 1.300 + 13ALA CA 119 -0.841 -1.280 1.191 + 13ALA HA 120 -0.843 -1.324 1.091 + 13ALA CB 121 -0.718 -1.192 1.206 + 13ALA HB1 122 -0.635 -1.263 1.215 + 13ALA HB2 123 -0.722 -1.147 1.305 + 13ALA HB3 124 -0.686 -1.121 1.129 + 13ALA C 125 -0.844 -1.407 1.275 + 13ALA O 126 -0.860 -1.513 1.217 + 14NME N 127 -0.829 -1.400 1.408 + 14NME H 128 -0.832 -1.305 1.443 + 14NME CH3 129 -0.834 -1.514 1.497 + 14NME HH31 130 -0.938 -1.534 1.525 + 14NME HH32 131 -0.772 -1.496 1.584 + 14NME HH33 132 -0.806 -1.608 1.448 + 100.0000000 100.0000000 100.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 +Made with PLUMED t=0.550000 +132 + 1ACE HH31 1 0.072 -1.016 1.887 + 1ACE CH3 2 0.034 -0.916 1.912 + 1ACE HH32 3 0.047 -0.887 2.016 + 1ACE HH33 4 0.076 -0.831 1.859 + 1ACE C 5 -0.114 -0.927 1.879 + 1ACE O 6 -0.153 -0.971 1.772 + 2ALA N 7 -0.207 -0.887 1.966 + 2ALA H 8 -0.174 -0.848 2.054 + 2ALA CA 9 -0.351 -0.899 1.962 + 2ALA HA 10 -0.386 -0.927 1.862 + 2ALA CB 11 -0.404 -0.998 2.065 + 2ALA HB1 12 -0.513 -0.997 2.071 + 2ALA HB2 13 -0.369 -0.963 2.162 + 2ALA HB3 14 -0.383 -1.102 2.041 + 2ALA C 15 -0.415 -0.763 1.989 + 2ALA O 16 -0.426 -0.721 2.104 + 3ALA N 17 -0.457 -0.692 1.884 + 3ALA H 18 -0.441 -0.729 1.791 + 3ALA CA 19 -0.533 -0.571 1.902 + 3ALA HA 20 -0.500 -0.510 1.986 + 3ALA CB 21 -0.523 -0.472 1.786 + 3ALA HB1 22 -0.419 -0.451 1.763 + 3ALA HB2 23 -0.578 -0.381 1.811 + 3ALA HB3 24 -0.562 -0.527 1.700 + 3ALA C 25 -0.679 -0.610 1.923 + 3ALA O 26 -0.738 -0.682 1.843 + 4ALA N 27 -0.739 -0.563 2.033 + 4ALA H 28 -0.689 -0.521 2.110 + 4ALA CA 29 -0.876 -0.594 2.068 + 4ALA HA 30 -0.869 -0.702 2.075 + 4ALA CB 31 -0.904 -0.534 2.205 + 4ALA HB1 32 -0.894 -0.425 2.200 + 4ALA HB2 33 -0.846 -0.575 2.288 + 4ALA HB3 34 -1.011 -0.545 2.225 + 4ALA C 35 -0.981 -0.556 1.964 + 4ALA O 36 -0.972 -0.449 1.905 + 5ALA N 37 -1.079 -0.644 1.941 + 5ALA H 38 -1.079 -0.725 2.002 + 5ALA CA 39 -1.186 -0.610 1.850 + 5ALA HA 40 -1.191 -0.502 1.835 + 5ALA CB 41 -1.156 -0.666 1.712 + 5ALA HB1 42 -1.137 -0.773 1.712 + 5ALA HB2 43 -1.076 -0.604 1.671 + 5ALA HB3 44 -1.242 -0.650 1.647 + 5ALA C 45 -1.320 -0.655 1.906 + 5ALA O 46 -1.425 -0.600 1.872 + 6ALA N 47 -1.327 -0.762 1.986 + 6ALA H 48 -1.235 -0.803 1.999 + 6ALA CA 49 -1.437 -0.819 2.061 + 6ALA HA 50 -1.394 -0.918 2.075 + 6ALA CB 51 -1.461 -0.751 2.195 + 6ALA HB1 52 -1.559 -0.785 2.229 + 6ALA HB2 53 -1.479 -0.645 2.179 + 6ALA HB3 54 -1.380 -0.785 2.260 + 6ALA C 55 -1.568 -0.833 1.985 + 6ALA O 56 -1.607 -0.944 1.948 + 7ALA N 57 -1.639 -0.722 1.964 + 7ALA H 58 -1.578 -0.647 1.995 + 7ALA CA 59 -1.749 -0.701 1.872 + 7ALA HA 60 -1.832 -0.753 1.921 + 7ALA CB 61 -1.783 -0.553 1.866 + 7ALA HB1 62 -1.694 -0.489 1.865 + 7ALA HB2 63 -1.848 -0.523 1.948 + 7ALA HB3 64 -1.839 -0.521 1.778 + 7ALA C 65 -1.729 -0.762 1.734 + 7ALA O 66 -1.806 -0.843 1.684 + 8ALA N 67 -1.617 -0.729 1.669 + 8ALA H 68 -1.546 -0.681 1.722 + 8ALA CA 69 -1.596 -0.760 1.528 + 8ALA HA 70 -1.688 -0.790 1.479 + 8ALA CB 71 -1.548 -0.635 1.455 + 8ALA HB1 72 -1.619 -0.554 1.470 + 8ALA HB2 73 -1.541 -0.657 1.349 + 8ALA HB3 74 -1.448 -0.620 1.496 + 8ALA C 75 -1.510 -0.884 1.515 + 8ALA O 76 -1.406 -0.888 1.449 + 9ALA N 77 -1.556 -0.985 1.590 + 9ALA H 78 -1.649 -0.973 1.626 + 9ALA CA 79 -1.480 -1.090 1.654 + 9ALA HA 80 -1.551 -1.132 1.726 + 9ALA CB 81 -1.453 -1.209 1.562 + 9ALA HB1 82 -1.418 -1.169 1.468 + 9ALA HB2 83 -1.544 -1.267 1.548 + 9ALA HB3 84 -1.369 -1.265 1.604 + 9ALA C 85 -1.362 -1.042 1.738 + 9ALA O 86 -1.331 -0.924 1.749 + 10ALA N 87 -1.300 -1.134 1.812 + 10ALA H 88 -1.321 -1.232 1.801 + 10ALA CA 89 -1.224 -1.112 1.933 + 10ALA HA 90 -1.294 -1.080 2.011 + 10ALA CB 91 -1.161 -1.244 1.978 + 10ALA HB1 92 -1.095 -1.282 1.901 + 10ALA HB2 93 -1.238 -1.317 2.004 + 10ALA HB3 94 -1.102 -1.228 2.068 + 10ALA C 95 -1.110 -1.013 1.918 + 10ALA O 96 -1.106 -0.915 1.992 + 11ALA N 97 -1.012 -1.036 1.830 + 11ALA H 98 -1.020 -1.126 1.786 + 11ALA CA 99 -0.893 -0.955 1.821 + 11ALA HA 100 -0.924 -0.851 1.829 + 11ALA CB 101 -0.796 -0.988 1.933 + 11ALA HB1 102 -0.840 -0.953 2.026 + 11ALA HB2 103 -0.699 -0.938 1.931 + 11ALA HB3 104 -0.788 -1.097 1.934 + 11ALA C 105 -0.826 -0.977 1.686 + 11ALA O 106 -0.857 -1.075 1.619 + 12ALA N 107 -0.737 -0.882 1.654 + 12ALA H 108 -0.731 -0.797 1.708 + 12ALA CA 109 -0.668 -0.882 1.526 + 12ALA HA 110 -0.688 -0.975 1.472 + 12ALA CB 111 -0.714 -0.770 1.434 + 12ALA HB1 112 -0.820 -0.778 1.408 + 12ALA HB2 113 -0.661 -0.775 1.339 + 12ALA HB3 114 -0.704 -0.680 1.495 + 12ALA C 115 -0.518 -0.881 1.550 + 12ALA O 116 -0.467 -0.820 1.644 + 13ALA N 117 -0.438 -0.946 1.465 + 13ALA H 118 -0.481 -0.984 1.382 + 13ALA CA 119 -0.293 -0.945 1.465 + 13ALA HA 120 -0.266 -0.984 1.563 + 13ALA CB 121 -0.244 -1.047 1.362 + 13ALA HB1 122 -0.294 -1.019 1.270 + 13ALA HB2 123 -0.270 -1.149 1.389 + 13ALA HB3 124 -0.135 -1.043 1.354 + 13ALA C 125 -0.235 -0.809 1.430 + 13ALA O 126 -0.277 -0.744 1.335 + 14NME N 127 -0.141 -0.764 1.514 + 14NME H 128 -0.103 -0.828 1.583 + 14NME CH3 129 -0.078 -0.635 1.493 + 14NME HH31 130 0.019 -0.629 1.542 + 14NME HH32 131 -0.149 -0.567 1.540 + 14NME HH33 132 -0.074 -0.617 1.386 + 100.0000000 100.0000000 100.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 diff --git a/regtest/basic/rt63c-mpi/config b/regtest/basic/rt63c-mpi/config new file mode 100644 index 0000000000000000000000000000000000000000..9e7954b34313fa58bce88d8294912400f67f0ffa --- /dev/null +++ b/regtest/basic/rt63c-mpi/config @@ -0,0 +1,4 @@ +type=driver +mpiprocs=2 +plumed_needs="matheval" +arg="--plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --igro helix.input.gro --dump-forces ff --dump-full-virial --dump-forces-fmt=%7.4f --debug-dd" diff --git a/regtest/basic/rt63c-mpi/ddd.reference b/regtest/basic/rt63c-mpi/ddd.reference new file mode 100644 index 0000000000000000000000000000000000000000..fa95589750dc4f572a80f063663ba388eb344937 --- /dev/null +++ b/regtest/basic/rt63c-mpi/ddd.reference @@ -0,0 +1,13 @@ +#! FIELDS time aaaa aaaa2 rmsd rmsd2 + 0.000000 10.000000 10.000000 0.505276 0.505276 + 0.050000 10.000000 10.000000 0.586683 0.586683 + 0.100000 10.000000 10.000000 0.547766 0.547766 + 0.150000 10.000000 10.000000 0.711042 0.711042 + 0.200000 10.000000 10.000000 0.731741 0.731741 + 0.250000 10.000000 10.000000 0.458276 0.458276 + 0.300000 10.000000 10.000000 0.745021 0.745021 + 0.350000 10.000000 10.000000 0.540015 0.540015 + 0.400000 10.000000 10.000000 0.595892 0.595892 + 0.450000 10.000000 10.000000 0.484320 0.484320 + 0.500000 10.000000 10.000000 0.521010 0.521010 + 0.550000 10.000000 10.000000 0.603059 0.603059 diff --git a/regtest/basic/rt63c-mpi/ff.0.reference b/regtest/basic/rt63c-mpi/ff.0.reference new file mode 100644 index 0000000000000000000000000000000000000000..d4b1dfa89709a8ab45b973d40df038ed8d7d0376 --- /dev/null +++ b/regtest/basic/rt63c-mpi/ff.0.reference @@ -0,0 +1,1608 @@ +132 +20.0897 -0.0139 -0.0418 -0.0139 -0.0196 0.0669 -0.0418 0.0669 0.0093 +X -1.7932 -0.8073 -0.9235 +X 3.1398 2.3518 1.5955 +X -0.4349 -1.1379 -0.6120 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X -0.9117 -0.4065 -0.0600 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +132 +19.9985 -0.0732 0.0204 -0.0732 0.1325 0.0731 0.0204 0.0731 0.0163 +X 1.0855 -0.4195 0.5058 +X -2.2257 1.2922 -2.4788 +X 0.6245 -0.1197 1.5643 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.5157 -0.7530 0.4087 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +132 +20.1092 -0.0843 -0.0387 -0.0843 0.0050 0.0590 -0.0387 0.0590 -0.0023 +X -0.8284 -0.1218 -0.6929 +X 2.3499 1.7405 1.6360 +X -0.5640 -1.3690 -0.7983 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X -0.9574 -0.2498 -0.1449 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +132 +20.0617 -0.0666 0.0047 -0.0666 0.1376 -0.0543 0.0047 -0.0543 0.0123 +X 0.0896 0.2025 0.0672 +X -0.0816 1.0942 -0.7328 +X -0.2728 -0.3878 0.3435 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.2648 -0.9089 0.3221 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +132 +20.0288 0.0298 -0.0242 0.0298 0.1895 -0.0697 -0.0242 -0.0697 0.0104 +X 0.0223 0.0093 0.2016 +X -0.5804 -1.0041 0.3078 +X 0.3151 0.1052 -0.1227 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.2430 0.8896 -0.3867 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +132 +19.9657 -0.0480 0.0192 -0.0480 0.0303 -0.0080 0.0192 -0.0080 0.0347 +X 0.4815 -1.6273 -1.4664 +X -1.0916 2.2079 2.6362 +X 0.1658 0.1362 -0.6323 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.4443 -0.7167 -0.5374 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +132 +20.0890 0.0662 0.1002 0.0662 0.0175 0.0475 0.1002 0.0475 0.1347 +X -0.1844 0.1874 -0.0418 +X 0.7308 0.0753 1.0827 +X 0.0098 0.0874 -0.2872 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X -0.5562 -0.3502 -0.7536 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +132 +19.9866 0.0575 0.0219 0.0575 0.0672 0.0539 0.0219 0.0539 0.0354 +X 0.8712 1.1157 0.8640 +X -0.8887 -1.3886 -0.9894 +X -0.3235 -0.5168 -0.3846 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.3410 0.7897 0.5100 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +132 +20.0082 0.0543 0.0665 0.0543 0.0054 0.0559 0.0665 0.0559 0.1217 +X -0.3673 -0.7791 -1.1830 +X 0.5054 0.7236 1.2503 +X 0.3261 0.4105 0.7443 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X -0.4642 -0.3549 -0.8116 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +132 +20.0082 -0.0418 -0.0543 -0.0418 -0.0229 -0.0256 -0.0543 -0.0256 0.0788 +X 1.7054 -1.3977 0.1639 +X -2.5117 3.0669 -0.4629 +X 0.1393 -0.9649 0.5417 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.6670 -0.7044 -0.2427 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +132 +20.0783 0.0572 0.0712 0.0572 0.0045 -0.0320 0.0712 -0.0320 0.0119 +X 0.9848 1.6025 -1.0767 +X -1.2089 -3.6699 1.9433 +X -0.2937 1.2204 -0.7464 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.5178 0.8470 -0.1202 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +132 +20.1235 0.1018 -0.0174 0.1018 0.0261 -0.0311 -0.0174 -0.0311 -0.0027 +X 1.3937 0.5472 -0.3700 +X -1.6001 -0.7704 0.3806 +X -0.6043 -0.3445 0.1324 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.8107 0.5677 -0.1431 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 diff --git a/regtest/basic/rt63c-mpi/ff.1.reference b/regtest/basic/rt63c-mpi/ff.1.reference new file mode 100644 index 0000000000000000000000000000000000000000..d4b1dfa89709a8ab45b973d40df038ed8d7d0376 --- /dev/null +++ b/regtest/basic/rt63c-mpi/ff.1.reference @@ -0,0 +1,1608 @@ +132 +20.0897 -0.0139 -0.0418 -0.0139 -0.0196 0.0669 -0.0418 0.0669 0.0093 +X -1.7932 -0.8073 -0.9235 +X 3.1398 2.3518 1.5955 +X -0.4349 -1.1379 -0.6120 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X -0.9117 -0.4065 -0.0600 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +132 +19.9985 -0.0732 0.0204 -0.0732 0.1325 0.0731 0.0204 0.0731 0.0163 +X 1.0855 -0.4195 0.5058 +X -2.2257 1.2922 -2.4788 +X 0.6245 -0.1197 1.5643 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.5157 -0.7530 0.4087 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +132 +20.1092 -0.0843 -0.0387 -0.0843 0.0050 0.0590 -0.0387 0.0590 -0.0023 +X -0.8284 -0.1218 -0.6929 +X 2.3499 1.7405 1.6360 +X -0.5640 -1.3690 -0.7983 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X -0.9574 -0.2498 -0.1449 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +132 +20.0617 -0.0666 0.0047 -0.0666 0.1376 -0.0543 0.0047 -0.0543 0.0123 +X 0.0896 0.2025 0.0672 +X -0.0816 1.0942 -0.7328 +X -0.2728 -0.3878 0.3435 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.2648 -0.9089 0.3221 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +132 +20.0288 0.0298 -0.0242 0.0298 0.1895 -0.0697 -0.0242 -0.0697 0.0104 +X 0.0223 0.0093 0.2016 +X -0.5804 -1.0041 0.3078 +X 0.3151 0.1052 -0.1227 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.2430 0.8896 -0.3867 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +132 +19.9657 -0.0480 0.0192 -0.0480 0.0303 -0.0080 0.0192 -0.0080 0.0347 +X 0.4815 -1.6273 -1.4664 +X -1.0916 2.2079 2.6362 +X 0.1658 0.1362 -0.6323 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.4443 -0.7167 -0.5374 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +132 +20.0890 0.0662 0.1002 0.0662 0.0175 0.0475 0.1002 0.0475 0.1347 +X -0.1844 0.1874 -0.0418 +X 0.7308 0.0753 1.0827 +X 0.0098 0.0874 -0.2872 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X -0.5562 -0.3502 -0.7536 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +132 +19.9866 0.0575 0.0219 0.0575 0.0672 0.0539 0.0219 0.0539 0.0354 +X 0.8712 1.1157 0.8640 +X -0.8887 -1.3886 -0.9894 +X -0.3235 -0.5168 -0.3846 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.3410 0.7897 0.5100 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +132 +20.0082 0.0543 0.0665 0.0543 0.0054 0.0559 0.0665 0.0559 0.1217 +X -0.3673 -0.7791 -1.1830 +X 0.5054 0.7236 1.2503 +X 0.3261 0.4105 0.7443 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X -0.4642 -0.3549 -0.8116 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +132 +20.0082 -0.0418 -0.0543 -0.0418 -0.0229 -0.0256 -0.0543 -0.0256 0.0788 +X 1.7054 -1.3977 0.1639 +X -2.5117 3.0669 -0.4629 +X 0.1393 -0.9649 0.5417 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.6670 -0.7044 -0.2427 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +132 +20.0783 0.0572 0.0712 0.0572 0.0045 -0.0320 0.0712 -0.0320 0.0119 +X 0.9848 1.6025 -1.0767 +X -1.2089 -3.6699 1.9433 +X -0.2937 1.2204 -0.7464 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.5178 0.8470 -0.1202 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +132 +20.1235 0.1018 -0.0174 0.1018 0.0261 -0.0311 -0.0174 -0.0311 -0.0027 +X 1.3937 0.5472 -0.3700 +X -1.6001 -0.7704 0.3806 +X -0.6043 -0.3445 0.1324 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.8107 0.5677 -0.1431 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 +X 0.0000 0.0000 0.0000 diff --git a/regtest/basic/rt63c-mpi/helix.input.gro b/regtest/basic/rt63c-mpi/helix.input.gro new file mode 100644 index 0000000000000000000000000000000000000000..b08cf48e72c5773f8431b24dbcd3b8983e124263 --- /dev/null +++ b/regtest/basic/rt63c-mpi/helix.input.gro @@ -0,0 +1,1620 @@ +Made with PLUMED t=0.000000 +132 + 1ACE HH31 1 -0.911 -0.240 2.180 0.0000 0.0000 0.0000 + 1ACE CH3 2 -0.893 -0.335 2.231 0.0000 0.0000 0.0000 + 1ACE HH32 3 -0.950 -0.350 2.322 0.0000 0.0000 0.0000 + 1ACE HH33 4 -0.907 -0.417 2.160 0.0000 0.0000 0.0000 + 1ACE C 5 -0.745 -0.330 2.266 0.0000 0.0000 0.0000 + 1ACE O 6 -0.691 -0.221 2.283 0.0000 0.0000 0.0000 + 2ALA N 7 -0.681 -0.448 2.268 0.0000 0.0000 0.0000 + 2ALA H 8 -0.732 -0.530 2.242 0.0000 0.0000 0.0000 + 2ALA CA 9 -0.540 -0.460 2.297 0.0000 0.0000 0.0000 + 2ALA HA 10 -0.488 -0.386 2.235 0.0000 0.0000 0.0000 + 2ALA CB 11 -0.507 -0.437 2.444 0.0000 0.0000 0.0000 + 2ALA HB1 12 -0.401 -0.435 2.467 0.0000 0.0000 0.0000 + 2ALA HB2 13 -0.544 -0.514 2.511 0.0000 0.0000 0.0000 + 2ALA HB3 14 -0.556 -0.343 2.470 0.0000 0.0000 0.0000 + 2ALA C 15 -0.491 -0.595 2.247 0.0000 0.0000 0.0000 + 2ALA O 16 -0.473 -0.613 2.126 0.0000 0.0000 0.0000 + 3ALA N 17 -0.485 -0.697 2.333 0.0000 0.0000 0.0000 + 3ALA H 18 -0.512 -0.679 2.429 0.0000 0.0000 0.0000 + 3ALA CA 19 -0.472 -0.840 2.316 0.0000 0.0000 0.0000 + 3ALA HA 20 -0.377 -0.852 2.264 0.0000 0.0000 0.0000 + 3ALA CB 21 -0.461 -0.909 2.451 0.0000 0.0000 0.0000 + 3ALA HB1 22 -0.376 -0.871 2.508 0.0000 0.0000 0.0000 + 3ALA HB2 23 -0.451 -1.014 2.425 0.0000 0.0000 0.0000 + 3ALA HB3 24 -0.549 -0.913 2.516 0.0000 0.0000 0.0000 + 3ALA C 25 -0.575 -0.906 2.226 0.0000 0.0000 0.0000 + 3ALA O 26 -0.536 -0.975 2.132 0.0000 0.0000 0.0000 + 4ALA N 27 -0.704 -0.887 2.257 0.0000 0.0000 0.0000 + 4ALA H 28 -0.704 -0.806 2.318 0.0000 0.0000 0.0000 + 4ALA CA 29 -0.820 -0.923 2.179 0.0000 0.0000 0.0000 + 4ALA HA 30 -0.787 -0.985 2.095 0.0000 0.0000 0.0000 + 4ALA CB 31 -0.916 -0.996 2.273 0.0000 0.0000 0.0000 + 4ALA HB1 32 -0.863 -1.079 2.319 0.0000 0.0000 0.0000 + 4ALA HB2 33 -1.010 -1.033 2.231 0.0000 0.0000 0.0000 + 4ALA HB3 34 -0.940 -0.926 2.353 0.0000 0.0000 0.0000 + 4ALA C 35 -0.872 -0.791 2.126 0.0000 0.0000 0.0000 + 4ALA O 36 -0.827 -0.685 2.168 0.0000 0.0000 0.0000 + 5ALA N 37 -0.957 -0.790 2.022 0.0000 0.0000 0.0000 + 5ALA H 38 -0.963 -0.882 1.981 0.0000 0.0000 0.0000 + 5ALA CA 39 -0.992 -0.679 1.936 0.0000 0.0000 0.0000 + 5ALA HA 40 -1.014 -0.595 2.001 0.0000 0.0000 0.0000 + 5ALA CB 41 -0.879 -0.640 1.841 0.0000 0.0000 0.0000 + 5ALA HB1 42 -0.853 -0.714 1.765 0.0000 0.0000 0.0000 + 5ALA HB2 43 -0.786 -0.629 1.896 0.0000 0.0000 0.0000 + 5ALA HB3 44 -0.898 -0.548 1.786 0.0000 0.0000 0.0000 + 5ALA C 45 -1.118 -0.705 1.853 0.0000 0.0000 0.0000 + 5ALA O 46 -1.152 -0.822 1.837 0.0000 0.0000 0.0000 + 6ALA N 47 -1.193 -0.605 1.805 0.0000 0.0000 0.0000 + 6ALA H 48 -1.160 -0.510 1.805 0.0000 0.0000 0.0000 + 6ALA CA 49 -1.324 -0.626 1.747 0.0000 0.0000 0.0000 + 6ALA HA 50 -1.312 -0.716 1.687 0.0000 0.0000 0.0000 + 6ALA CB 51 -1.437 -0.640 1.849 0.0000 0.0000 0.0000 + 6ALA HB1 52 -1.533 -0.650 1.799 0.0000 0.0000 0.0000 + 6ALA HB2 53 -1.436 -0.555 1.918 0.0000 0.0000 0.0000 + 6ALA HB3 54 -1.413 -0.723 1.916 0.0000 0.0000 0.0000 + 6ALA C 55 -1.363 -0.509 1.658 0.0000 0.0000 0.0000 + 6ALA O 56 -1.336 -0.394 1.692 0.0000 0.0000 0.0000 + 7ALA N 57 -1.421 -0.543 1.543 0.0000 0.0000 0.0000 + 7ALA H 58 -1.429 -0.644 1.540 0.0000 0.0000 0.0000 + 7ALA CA 59 -1.490 -0.458 1.448 0.0000 0.0000 0.0000 + 7ALA HA 60 -1.536 -0.379 1.507 0.0000 0.0000 0.0000 + 7ALA CB 61 -1.389 -0.380 1.364 0.0000 0.0000 0.0000 + 7ALA HB1 62 -1.448 -0.310 1.305 0.0000 0.0000 0.0000 + 7ALA HB2 63 -1.323 -0.443 1.305 0.0000 0.0000 0.0000 + 7ALA HB3 64 -1.329 -0.316 1.428 0.0000 0.0000 0.0000 + 7ALA C 65 -1.595 -0.517 1.355 0.0000 0.0000 0.0000 + 7ALA O 66 -1.715 -0.505 1.374 0.0000 0.0000 0.0000 + 8ALA N 67 -1.548 -0.602 1.264 0.0000 0.0000 0.0000 + 8ALA H 68 -1.447 -0.611 1.257 0.0000 0.0000 0.0000 + 8ALA CA 69 -1.614 -0.708 1.190 0.0000 0.0000 0.0000 + 8ALA HA 70 -1.721 -0.703 1.210 0.0000 0.0000 0.0000 + 8ALA CB 71 -1.591 -0.690 1.040 0.0000 0.0000 0.0000 + 8ALA HB1 72 -1.648 -0.607 0.998 0.0000 0.0000 0.0000 + 8ALA HB2 73 -1.611 -0.781 0.984 0.0000 0.0000 0.0000 + 8ALA HB3 74 -1.484 -0.673 1.042 0.0000 0.0000 0.0000 + 8ALA C 75 -1.555 -0.841 1.237 0.0000 0.0000 0.0000 + 8ALA O 76 -1.437 -0.871 1.223 0.0000 0.0000 0.0000 + 9ALA N 77 -1.646 -0.911 1.305 0.0000 0.0000 0.0000 + 9ALA H 78 -1.736 -0.867 1.314 0.0000 0.0000 0.0000 + 9ALA CA 79 -1.613 -1.016 1.400 0.0000 0.0000 0.0000 + 9ALA HA 80 -1.700 -1.054 1.454 0.0000 0.0000 0.0000 + 9ALA CB 81 -1.558 -1.131 1.316 0.0000 0.0000 0.0000 + 9ALA HB1 82 -1.457 -1.097 1.292 0.0000 0.0000 0.0000 + 9ALA HB2 83 -1.622 -1.150 1.229 0.0000 0.0000 0.0000 + 9ALA HB3 84 -1.560 -1.227 1.366 0.0000 0.0000 0.0000 + 9ALA C 85 -1.527 -0.959 1.512 0.0000 0.0000 0.0000 + 9ALA O 86 -1.521 -0.838 1.529 0.0000 0.0000 0.0000 + 10ALA N 87 -1.468 -1.048 1.592 0.0000 0.0000 0.0000 + 10ALA H 88 -1.491 -1.146 1.590 0.0000 0.0000 0.0000 + 10ALA CA 89 -1.367 -1.015 1.691 0.0000 0.0000 0.0000 + 10ALA HA 90 -1.329 -0.914 1.678 0.0000 0.0000 0.0000 + 10ALA CB 91 -1.435 -1.017 1.828 0.0000 0.0000 0.0000 + 10ALA HB1 92 -1.490 -0.923 1.834 0.0000 0.0000 0.0000 + 10ALA HB2 93 -1.358 -1.025 1.905 0.0000 0.0000 0.0000 + 10ALA HB3 94 -1.489 -1.109 1.848 0.0000 0.0000 0.0000 + 10ALA C 95 -1.251 -1.113 1.681 0.0000 0.0000 0.0000 + 10ALA O 96 -1.267 -1.221 1.625 0.0000 0.0000 0.0000 + 11ALA N 97 -1.130 -1.073 1.721 0.0000 0.0000 0.0000 + 11ALA H 98 -1.130 -0.977 1.752 0.0000 0.0000 0.0000 + 11ALA CA 99 -1.003 -1.138 1.699 0.0000 0.0000 0.0000 + 11ALA HA 100 -1.012 -1.247 1.693 0.0000 0.0000 0.0000 + 11ALA CB 101 -0.950 -1.103 1.560 0.0000 0.0000 0.0000 + 11ALA HB1 102 -0.858 -1.159 1.542 0.0000 0.0000 0.0000 + 11ALA HB2 103 -0.938 -0.994 1.557 0.0000 0.0000 0.0000 + 11ALA HB3 104 -1.013 -1.131 1.476 0.0000 0.0000 0.0000 + 11ALA C 105 -0.901 -1.112 1.809 0.0000 0.0000 0.0000 + 11ALA O 106 -0.930 -1.031 1.897 0.0000 0.0000 0.0000 + 12ALA N 107 -0.784 -1.175 1.802 0.0000 0.0000 0.0000 + 12ALA H 108 -0.768 -1.243 1.729 0.0000 0.0000 0.0000 + 12ALA CA 109 -0.663 -1.129 1.868 0.0000 0.0000 0.0000 + 12ALA HA 110 -0.695 -1.097 1.966 0.0000 0.0000 0.0000 + 12ALA CB 111 -0.568 -1.247 1.888 0.0000 0.0000 0.0000 + 12ALA HB1 112 -0.521 -1.271 1.792 0.0000 0.0000 0.0000 + 12ALA HB2 113 -0.628 -1.330 1.924 0.0000 0.0000 0.0000 + 12ALA HB3 114 -0.488 -1.217 1.955 0.0000 0.0000 0.0000 + 12ALA C 115 -0.601 -1.014 1.790 0.0000 0.0000 0.0000 + 12ALA O 116 -0.638 -0.989 1.675 0.0000 0.0000 0.0000 + 13ALA N 117 -0.509 -0.942 1.854 0.0000 0.0000 0.0000 + 13ALA H 118 -0.508 -0.964 1.953 0.0000 0.0000 0.0000 + 13ALA CA 119 -0.423 -0.841 1.796 0.0000 0.0000 0.0000 + 13ALA HA 120 -0.398 -0.873 1.695 0.0000 0.0000 0.0000 + 13ALA CB 121 -0.497 -0.707 1.786 0.0000 0.0000 0.0000 + 13ALA HB1 122 -0.429 -0.630 1.750 0.0000 0.0000 0.0000 + 13ALA HB2 123 -0.545 -0.676 1.878 0.0000 0.0000 0.0000 + 13ALA HB3 124 -0.578 -0.724 1.715 0.0000 0.0000 0.0000 + 13ALA C 125 -0.296 -0.825 1.877 0.0000 0.0000 0.0000 + 13ALA O 126 -0.198 -0.896 1.854 0.0000 0.0000 0.0000 + 14NME N 127 -0.292 -0.739 1.979 0.0000 0.0000 0.0000 + 14NME H 128 -0.373 -0.682 2.001 0.0000 0.0000 0.0000 + 14NME CH3 129 -0.169 -0.709 2.049 0.0000 0.0000 0.0000 + 14NME HH31 130 -0.187 -0.663 2.146 0.0000 0.0000 0.0000 + 14NME HH32 131 -0.115 -0.628 1.999 0.0000 0.0000 0.0000 + 14NME HH33 132 -0.114 -0.802 2.060 0.0000 0.0000 0.0000 + 100.0000000 100.0000000 100.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 +Made with PLUMED t=0.050000 +132 + 1ACE HH31 1 -0.022 -1.191 1.511 0.0000 0.0000 0.0000 + 1ACE CH3 2 -0.086 -1.241 1.583 0.0000 0.0000 0.0000 + 1ACE HH32 3 -0.085 -1.347 1.559 0.0000 0.0000 0.0000 + 1ACE HH33 4 -0.041 -1.210 1.677 0.0000 0.0000 0.0000 + 1ACE C 5 -0.234 -1.207 1.574 0.0000 0.0000 0.0000 + 1ACE O 6 -0.296 -1.249 1.476 0.0000 0.0000 0.0000 + 2ALA N 7 -0.285 -1.128 1.669 0.0000 0.0000 0.0000 + 2ALA H 8 -0.219 -1.076 1.724 0.0000 0.0000 0.0000 + 2ALA CA 9 -0.423 -1.089 1.690 0.0000 0.0000 0.0000 + 2ALA HA 10 -0.467 -1.054 1.596 0.0000 0.0000 0.0000 + 2ALA CB 11 -0.508 -1.207 1.738 0.0000 0.0000 0.0000 + 2ALA HB1 12 -0.474 -1.239 1.837 0.0000 0.0000 0.0000 + 2ALA HB2 13 -0.488 -1.296 1.679 0.0000 0.0000 0.0000 + 2ALA HB3 14 -0.614 -1.180 1.738 0.0000 0.0000 0.0000 + 2ALA C 15 -0.433 -0.975 1.789 0.0000 0.0000 0.0000 + 2ALA O 16 -0.330 -0.930 1.841 0.0000 0.0000 0.0000 + 3ALA N 17 -0.553 -0.923 1.818 0.0000 0.0000 0.0000 + 3ALA H 18 -0.641 -0.957 1.782 0.0000 0.0000 0.0000 + 3ALA CA 19 -0.579 -0.816 1.911 0.0000 0.0000 0.0000 + 3ALA HA 20 -0.531 -0.825 2.008 0.0000 0.0000 0.0000 + 3ALA CB 21 -0.521 -0.692 1.844 0.0000 0.0000 0.0000 + 3ALA HB1 22 -0.553 -0.687 1.740 0.0000 0.0000 0.0000 + 3ALA HB2 23 -0.412 -0.690 1.848 0.0000 0.0000 0.0000 + 3ALA HB3 24 -0.548 -0.603 1.901 0.0000 0.0000 0.0000 + 3ALA C 25 -0.729 -0.807 1.939 0.0000 0.0000 0.0000 + 3ALA O 26 -0.790 -0.909 1.910 0.0000 0.0000 0.0000 + 4ALA N 27 -0.780 -0.703 2.006 0.0000 0.0000 0.0000 + 4ALA H 28 -0.724 -0.620 2.014 0.0000 0.0000 0.0000 + 4ALA CA 29 -0.923 -0.687 2.019 0.0000 0.0000 0.0000 + 4ALA HA 30 -0.969 -0.739 1.935 0.0000 0.0000 0.0000 + 4ALA CB 31 -0.985 -0.739 2.149 0.0000 0.0000 0.0000 + 4ALA HB1 32 -0.986 -0.847 2.159 0.0000 0.0000 0.0000 + 4ALA HB2 33 -1.089 -0.713 2.162 0.0000 0.0000 0.0000 + 4ALA HB3 34 -0.928 -0.699 2.234 0.0000 0.0000 0.0000 + 4ALA C 35 -0.960 -0.539 2.015 0.0000 0.0000 0.0000 + 4ALA O 36 -0.878 -0.450 2.032 0.0000 0.0000 0.0000 + 5ALA N 37 -1.083 -0.503 1.978 0.0000 0.0000 0.0000 + 5ALA H 38 -1.152 -0.577 1.966 0.0000 0.0000 0.0000 + 5ALA CA 39 -1.136 -0.368 1.973 0.0000 0.0000 0.0000 + 5ALA HA 40 -1.090 -0.303 2.047 0.0000 0.0000 0.0000 + 5ALA CB 41 -1.093 -0.311 1.838 0.0000 0.0000 0.0000 + 5ALA HB1 42 -0.985 -0.301 1.834 0.0000 0.0000 0.0000 + 5ALA HB2 43 -1.117 -0.206 1.827 0.0000 0.0000 0.0000 + 5ALA HB3 44 -1.131 -0.367 1.752 0.0000 0.0000 0.0000 + 5ALA C 45 -1.287 -0.355 1.992 0.0000 0.0000 0.0000 + 5ALA O 46 -1.363 -0.357 1.895 0.0000 0.0000 0.0000 + 6ALA N 47 -1.330 -0.348 2.118 0.0000 0.0000 0.0000 + 6ALA H 48 -1.255 -0.352 2.185 0.0000 0.0000 0.0000 + 6ALA CA 49 -1.466 -0.348 2.167 0.0000 0.0000 0.0000 + 6ALA HA 50 -1.466 -0.369 2.274 0.0000 0.0000 0.0000 + 6ALA CB 51 -1.528 -0.209 2.154 0.0000 0.0000 0.0000 + 6ALA HB1 52 -1.511 -0.171 2.054 0.0000 0.0000 0.0000 + 6ALA HB2 53 -1.487 -0.142 2.230 0.0000 0.0000 0.0000 + 6ALA HB3 54 -1.634 -0.212 2.183 0.0000 0.0000 0.0000 + 6ALA C 55 -1.536 -0.467 2.102 0.0000 0.0000 0.0000 + 6ALA O 56 -1.511 -0.585 2.124 0.0000 0.0000 0.0000 + 7ALA N 57 -1.628 -0.437 2.010 0.0000 0.0000 0.0000 + 7ALA H 58 -1.622 -0.343 1.973 0.0000 0.0000 0.0000 + 7ALA CA 59 -1.720 -0.525 1.940 0.0000 0.0000 0.0000 + 7ALA HA 60 -1.786 -0.574 2.010 0.0000 0.0000 0.0000 + 7ALA CB 61 -1.803 -0.437 1.847 0.0000 0.0000 0.0000 + 7ALA HB1 62 -1.738 -0.389 1.774 0.0000 0.0000 0.0000 + 7ALA HB2 63 -1.841 -0.359 1.914 0.0000 0.0000 0.0000 + 7ALA HB3 64 -1.871 -0.502 1.793 0.0000 0.0000 0.0000 + 7ALA C 65 -1.648 -0.622 1.848 0.0000 0.0000 0.0000 + 7ALA O 66 -1.697 -0.734 1.832 0.0000 0.0000 0.0000 + 8ALA N 67 -1.533 -0.582 1.793 0.0000 0.0000 0.0000 + 8ALA H 68 -1.501 -0.493 1.826 0.0000 0.0000 0.0000 + 8ALA CA 69 -1.430 -0.679 1.760 0.0000 0.0000 0.0000 + 8ALA HA 70 -1.471 -0.765 1.707 0.0000 0.0000 0.0000 + 8ALA CB 71 -1.332 -0.608 1.667 0.0000 0.0000 0.0000 + 8ALA HB1 72 -1.287 -0.682 1.602 0.0000 0.0000 0.0000 + 8ALA HB2 73 -1.257 -0.548 1.719 0.0000 0.0000 0.0000 + 8ALA HB3 74 -1.390 -0.536 1.609 0.0000 0.0000 0.0000 + 8ALA C 75 -1.378 -0.744 1.888 0.0000 0.0000 0.0000 + 8ALA O 76 -1.275 -0.704 1.942 0.0000 0.0000 0.0000 + 9ALA N 77 -1.452 -0.839 1.946 0.0000 0.0000 0.0000 + 9ALA H 78 -1.538 -0.859 1.897 0.0000 0.0000 0.0000 + 9ALA CA 79 -1.419 -0.903 2.072 0.0000 0.0000 0.0000 + 9ALA HA 80 -1.420 -0.833 2.156 0.0000 0.0000 0.0000 + 9ALA CB 81 -1.531 -0.994 2.122 0.0000 0.0000 0.0000 + 9ALA HB1 82 -1.511 -1.010 2.228 0.0000 0.0000 0.0000 + 9ALA HB2 83 -1.531 -1.091 2.073 0.0000 0.0000 0.0000 + 9ALA HB3 84 -1.630 -0.955 2.097 0.0000 0.0000 0.0000 + 9ALA C 85 -1.283 -0.970 2.072 0.0000 0.0000 0.0000 + 9ALA O 86 -1.228 -0.985 2.181 0.0000 0.0000 0.0000 + 10ALA N 87 -1.243 -1.021 1.955 0.0000 0.0000 0.0000 + 10ALA H 88 -1.303 -1.005 1.876 0.0000 0.0000 0.0000 + 10ALA CA 89 -1.115 -1.079 1.918 0.0000 0.0000 0.0000 + 10ALA HA 90 -1.031 -1.040 1.975 0.0000 0.0000 0.0000 + 10ALA CB 91 -1.127 -1.229 1.941 0.0000 0.0000 0.0000 + 10ALA HB1 92 -1.210 -1.273 1.887 0.0000 0.0000 0.0000 + 10ALA HB2 93 -1.126 -1.256 2.047 0.0000 0.0000 0.0000 + 10ALA HB3 94 -1.043 -1.286 1.901 0.0000 0.0000 0.0000 + 10ALA C 95 -1.100 -1.066 1.767 0.0000 0.0000 0.0000 + 10ALA O 96 -1.203 -1.084 1.703 0.0000 0.0000 0.0000 + 11ALA N 97 -0.980 -1.044 1.712 0.0000 0.0000 0.0000 + 11ALA H 98 -0.897 -1.014 1.760 0.0000 0.0000 0.0000 + 11ALA CA 99 -0.959 -1.027 1.570 0.0000 0.0000 0.0000 + 11ALA HA 100 -1.029 -1.091 1.518 0.0000 0.0000 0.0000 + 11ALA CB 101 -0.985 -0.884 1.522 0.0000 0.0000 0.0000 + 11ALA HB1 102 -0.933 -0.812 1.585 0.0000 0.0000 0.0000 + 11ALA HB2 103 -1.088 -0.847 1.527 0.0000 0.0000 0.0000 + 11ALA HB3 104 -0.955 -0.878 1.418 0.0000 0.0000 0.0000 + 11ALA C 105 -0.818 -1.079 1.542 0.0000 0.0000 0.0000 + 11ALA O 106 -0.720 -1.010 1.567 0.0000 0.0000 0.0000 + 12ALA N 107 -0.810 -1.192 1.471 0.0000 0.0000 0.0000 + 12ALA H 108 -0.899 -1.232 1.447 0.0000 0.0000 0.0000 + 12ALA CA 109 -0.694 -1.250 1.405 0.0000 0.0000 0.0000 + 12ALA HA 110 -0.616 -1.248 1.481 0.0000 0.0000 0.0000 + 12ALA CB 111 -0.729 -1.394 1.371 0.0000 0.0000 0.0000 + 12ALA HB1 112 -0.756 -1.445 1.464 0.0000 0.0000 0.0000 + 12ALA HB2 113 -0.635 -1.447 1.353 0.0000 0.0000 0.0000 + 12ALA HB3 114 -0.810 -1.405 1.299 0.0000 0.0000 0.0000 + 12ALA C 115 -0.643 -1.158 1.295 0.0000 0.0000 0.0000 + 12ALA O 116 -0.717 -1.094 1.220 0.0000 0.0000 0.0000 + 13ALA N 117 -0.510 -1.144 1.290 0.0000 0.0000 0.0000 + 13ALA H 118 -0.454 -1.190 1.361 0.0000 0.0000 0.0000 + 13ALA CA 119 -0.445 -1.053 1.199 0.0000 0.0000 0.0000 + 13ALA HA 120 -0.510 -1.024 1.117 0.0000 0.0000 0.0000 + 13ALA CB 121 -0.388 -0.929 1.268 0.0000 0.0000 0.0000 + 13ALA HB1 122 -0.291 -0.949 1.314 0.0000 0.0000 0.0000 + 13ALA HB2 123 -0.462 -0.882 1.333 0.0000 0.0000 0.0000 + 13ALA HB3 124 -0.372 -0.861 1.185 0.0000 0.0000 0.0000 + 13ALA C 125 -0.332 -1.121 1.123 0.0000 0.0000 0.0000 + 13ALA O 126 -0.322 -1.111 1.001 0.0000 0.0000 0.0000 + 14NME N 127 -0.249 -1.196 1.196 0.0000 0.0000 0.0000 + 14NME H 128 -0.277 -1.213 1.292 0.0000 0.0000 0.0000 + 14NME CH3 129 -0.133 -1.261 1.139 0.0000 0.0000 0.0000 + 14NME HH31 130 -0.121 -1.218 1.040 0.0000 0.0000 0.0000 + 14NME HH32 131 -0.148 -1.369 1.146 0.0000 0.0000 0.0000 + 14NME HH33 132 -0.043 -1.233 1.193 0.0000 0.0000 0.0000 + 100.0000000 100.0000000 100.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 +Made with PLUMED t=0.100000 +132 + 1ACE HH31 1 -1.697 -0.728 1.714 0.0000 0.0000 0.0000 + 1ACE CH3 2 -1.714 -0.818 1.773 0.0000 0.0000 0.0000 + 1ACE HH32 3 -1.805 -0.789 1.825 0.0000 0.0000 0.0000 + 1ACE HH33 4 -1.737 -0.908 1.716 0.0000 0.0000 0.0000 + 1ACE C 5 -1.589 -0.834 1.859 0.0000 0.0000 0.0000 + 1ACE O 6 -1.546 -0.746 1.933 0.0000 0.0000 0.0000 + 2ALA N 7 -1.531 -0.952 1.836 0.0000 0.0000 0.0000 + 2ALA H 8 -1.561 -1.001 1.753 0.0000 0.0000 0.0000 + 2ALA CA 9 -1.432 -1.004 1.929 0.0000 0.0000 0.0000 + 2ALA HA 10 -1.452 -0.954 2.023 0.0000 0.0000 0.0000 + 2ALA CB 11 -1.453 -1.154 1.948 0.0000 0.0000 0.0000 + 2ALA HB1 12 -1.407 -1.191 2.039 0.0000 0.0000 0.0000 + 2ALA HB2 13 -1.410 -1.201 1.859 0.0000 0.0000 0.0000 + 2ALA HB3 14 -1.555 -1.188 1.965 0.0000 0.0000 0.0000 + 2ALA C 15 -1.294 -0.951 1.891 0.0000 0.0000 0.0000 + 2ALA O 16 -1.280 -0.855 1.817 0.0000 0.0000 0.0000 + 3ALA N 17 -1.192 -1.021 1.941 0.0000 0.0000 0.0000 + 3ALA H 18 -1.201 -1.119 1.963 0.0000 0.0000 0.0000 + 3ALA CA 19 -1.057 -0.971 1.960 0.0000 0.0000 0.0000 + 3ALA HA 20 -1.053 -0.890 2.033 0.0000 0.0000 0.0000 + 3ALA CB 21 -0.982 -1.088 2.022 0.0000 0.0000 0.0000 + 3ALA HB1 22 -0.974 -1.181 1.966 0.0000 0.0000 0.0000 + 3ALA HB2 23 -1.031 -1.118 2.115 0.0000 0.0000 0.0000 + 3ALA HB3 24 -0.879 -1.056 2.038 0.0000 0.0000 0.0000 + 3ALA C 25 -0.995 -0.918 1.831 0.0000 0.0000 0.0000 + 3ALA O 26 -0.983 -0.990 1.732 0.0000 0.0000 0.0000 + 4ALA N 27 -0.950 -0.793 1.847 0.0000 0.0000 0.0000 + 4ALA H 28 -0.967 -0.746 1.935 0.0000 0.0000 0.0000 + 4ALA CA 29 -0.886 -0.719 1.741 0.0000 0.0000 0.0000 + 4ALA HA 30 -0.852 -0.785 1.661 0.0000 0.0000 0.0000 + 4ALA CB 31 -0.994 -0.632 1.677 0.0000 0.0000 0.0000 + 4ALA HB1 32 -1.011 -0.544 1.738 0.0000 0.0000 0.0000 + 4ALA HB2 33 -1.079 -0.697 1.653 0.0000 0.0000 0.0000 + 4ALA HB3 34 -0.963 -0.587 1.582 0.0000 0.0000 0.0000 + 4ALA C 35 -0.759 -0.647 1.785 0.0000 0.0000 0.0000 + 4ALA O 36 -0.766 -0.543 1.851 0.0000 0.0000 0.0000 + 5ALA N 37 -0.645 -0.711 1.760 0.0000 0.0000 0.0000 + 5ALA H 38 -0.665 -0.794 1.706 0.0000 0.0000 0.0000 + 5ALA CA 39 -0.512 -0.693 1.813 0.0000 0.0000 0.0000 + 5ALA HA 40 -0.467 -0.792 1.804 0.0000 0.0000 0.0000 + 5ALA CB 41 -0.436 -0.588 1.732 0.0000 0.0000 0.0000 + 5ALA HB1 42 -0.469 -0.484 1.743 0.0000 0.0000 0.0000 + 5ALA HB2 43 -0.436 -0.623 1.629 0.0000 0.0000 0.0000 + 5ALA HB3 44 -0.332 -0.579 1.764 0.0000 0.0000 0.0000 + 5ALA C 45 -0.503 -0.659 1.961 0.0000 0.0000 0.0000 + 5ALA O 46 -0.453 -0.741 2.038 0.0000 0.0000 0.0000 + 6ALA N 47 -0.545 -0.540 2.003 0.0000 0.0000 0.0000 + 6ALA H 48 -0.586 -0.482 1.931 0.0000 0.0000 0.0000 + 6ALA CA 49 -0.528 -0.485 2.137 0.0000 0.0000 0.0000 + 6ALA HA 50 -0.511 -0.569 2.205 0.0000 0.0000 0.0000 + 6ALA CB 51 -0.416 -0.382 2.142 0.0000 0.0000 0.0000 + 6ALA HB1 52 -0.328 -0.424 2.094 0.0000 0.0000 0.0000 + 6ALA HB2 53 -0.404 -0.342 2.242 0.0000 0.0000 0.0000 + 6ALA HB3 54 -0.448 -0.297 2.081 0.0000 0.0000 0.0000 + 6ALA C 55 -0.661 -0.426 2.182 0.0000 0.0000 0.0000 + 6ALA O 56 -0.671 -0.377 2.294 0.0000 0.0000 0.0000 + 7ALA N 57 -0.768 -0.431 2.103 0.0000 0.0000 0.0000 + 7ALA H 58 -0.754 -0.484 2.018 0.0000 0.0000 0.0000 + 7ALA CA 59 -0.905 -0.403 2.144 0.0000 0.0000 0.0000 + 7ALA HA 60 -0.904 -0.404 2.253 0.0000 0.0000 0.0000 + 7ALA CB 61 -0.944 -0.264 2.094 0.0000 0.0000 0.0000 + 7ALA HB1 62 -0.870 -0.189 2.124 0.0000 0.0000 0.0000 + 7ALA HB2 63 -1.039 -0.247 2.145 0.0000 0.0000 0.0000 + 7ALA HB3 64 -0.944 -0.267 1.985 0.0000 0.0000 0.0000 + 7ALA C 65 -0.996 -0.513 2.092 0.0000 0.0000 0.0000 + 7ALA O 66 -0.951 -0.625 2.069 0.0000 0.0000 0.0000 + 8ALA N 67 -1.125 -0.490 2.067 0.0000 0.0000 0.0000 + 8ALA H 68 -1.166 -0.398 2.071 0.0000 0.0000 0.0000 + 8ALA CA 69 -1.224 -0.586 2.022 0.0000 0.0000 0.0000 + 8ALA HA 70 -1.162 -0.666 1.980 0.0000 0.0000 0.0000 + 8ALA CB 71 -1.293 -0.643 2.146 0.0000 0.0000 0.0000 + 8ALA HB1 72 -1.365 -0.719 2.115 0.0000 0.0000 0.0000 + 8ALA HB2 73 -1.349 -0.572 2.206 0.0000 0.0000 0.0000 + 8ALA HB3 74 -1.212 -0.688 2.204 0.0000 0.0000 0.0000 + 8ALA C 75 -1.306 -0.520 1.913 0.0000 0.0000 0.0000 + 8ALA O 76 -1.346 -0.405 1.929 0.0000 0.0000 0.0000 + 9ALA N 77 -1.310 -0.579 1.793 0.0000 0.0000 0.0000 + 9ALA H 78 -1.301 -0.679 1.803 0.0000 0.0000 0.0000 + 9ALA CA 79 -1.367 -0.524 1.671 0.0000 0.0000 0.0000 + 9ALA HA 80 -1.448 -0.458 1.703 0.0000 0.0000 0.0000 + 9ALA CB 81 -1.268 -0.430 1.604 0.0000 0.0000 0.0000 + 9ALA HB1 82 -1.303 -0.369 1.520 0.0000 0.0000 0.0000 + 9ALA HB2 83 -1.186 -0.494 1.569 0.0000 0.0000 0.0000 + 9ALA HB3 84 -1.228 -0.359 1.676 0.0000 0.0000 0.0000 + 9ALA C 85 -1.431 -0.623 1.575 0.0000 0.0000 0.0000 + 9ALA O 86 -1.532 -0.590 1.514 0.0000 0.0000 0.0000 + 10ALA N 87 -1.381 -0.746 1.565 0.0000 0.0000 0.0000 + 10ALA H 88 -1.308 -0.771 1.630 0.0000 0.0000 0.0000 + 10ALA CA 89 -1.417 -0.849 1.469 0.0000 0.0000 0.0000 + 10ALA HA 90 -1.517 -0.824 1.436 0.0000 0.0000 0.0000 + 10ALA CB 91 -1.312 -0.840 1.358 0.0000 0.0000 0.0000 + 10ALA HB1 92 -1.210 -0.831 1.396 0.0000 0.0000 0.0000 + 10ALA HB2 93 -1.328 -0.745 1.307 0.0000 0.0000 0.0000 + 10ALA HB3 94 -1.312 -0.928 1.294 0.0000 0.0000 0.0000 + 10ALA C 95 -1.425 -0.986 1.536 0.0000 0.0000 0.0000 + 10ALA O 96 -1.535 -1.029 1.569 0.0000 0.0000 0.0000 + 11ALA N 97 -1.317 -1.064 1.536 0.0000 0.0000 0.0000 + 11ALA H 98 -1.232 -1.016 1.508 0.0000 0.0000 0.0000 + 11ALA CA 99 -1.321 -1.203 1.577 0.0000 0.0000 0.0000 + 11ALA HA 100 -1.398 -1.217 1.653 0.0000 0.0000 0.0000 + 11ALA CB 101 -1.344 -1.289 1.453 0.0000 0.0000 0.0000 + 11ALA HB1 102 -1.261 -1.275 1.384 0.0000 0.0000 0.0000 + 11ALA HB2 103 -1.440 -1.269 1.404 0.0000 0.0000 0.0000 + 11ALA HB3 104 -1.343 -1.396 1.470 0.0000 0.0000 0.0000 + 11ALA C 105 -1.188 -1.238 1.643 0.0000 0.0000 0.0000 + 11ALA O 106 -1.182 -1.247 1.765 0.0000 0.0000 0.0000 + 12ALA N 107 -1.085 -1.285 1.572 0.0000 0.0000 0.0000 + 12ALA H 108 -1.102 -1.284 1.473 0.0000 0.0000 0.0000 + 12ALA CA 109 -0.963 -1.350 1.614 0.0000 0.0000 0.0000 + 12ALA HA 110 -0.942 -1.307 1.712 0.0000 0.0000 0.0000 + 12ALA CB 111 -0.979 -1.500 1.633 0.0000 0.0000 0.0000 + 12ALA HB1 112 -1.079 -1.506 1.676 0.0000 0.0000 0.0000 + 12ALA HB2 113 -0.904 -1.532 1.705 0.0000 0.0000 0.0000 + 12ALA HB3 114 -0.969 -1.553 1.538 0.0000 0.0000 0.0000 + 12ALA C 115 -0.841 -1.312 1.530 0.0000 0.0000 0.0000 + 12ALA O 116 -0.781 -1.391 1.458 0.0000 0.0000 0.0000 + 13ALA N 117 -0.811 -1.183 1.538 0.0000 0.0000 0.0000 + 13ALA H 118 -0.861 -1.116 1.595 0.0000 0.0000 0.0000 + 13ALA CA 119 -0.689 -1.136 1.476 0.0000 0.0000 0.0000 + 13ALA HA 120 -0.633 -1.218 1.429 0.0000 0.0000 0.0000 + 13ALA CB 121 -0.704 -1.034 1.364 0.0000 0.0000 0.0000 + 13ALA HB1 122 -0.611 -1.006 1.316 0.0000 0.0000 0.0000 + 13ALA HB2 123 -0.757 -0.947 1.402 0.0000 0.0000 0.0000 + 13ALA HB3 124 -0.759 -1.090 1.288 0.0000 0.0000 0.0000 + 13ALA C 125 -0.608 -1.070 1.586 0.0000 0.0000 0.0000 + 13ALA O 126 -0.634 -0.959 1.630 0.0000 0.0000 0.0000 + 14NME N 127 -0.501 -1.137 1.632 0.0000 0.0000 0.0000 + 14NME H 128 -0.480 -1.229 1.596 0.0000 0.0000 0.0000 + 14NME CH3 129 -0.405 -1.081 1.724 0.0000 0.0000 0.0000 + 14NME HH31 130 -0.330 -1.159 1.742 0.0000 0.0000 0.0000 + 14NME HH32 131 -0.445 -1.056 1.822 0.0000 0.0000 0.0000 + 14NME HH33 132 -0.351 -0.995 1.683 0.0000 0.0000 0.0000 + 100.0000000 100.0000000 100.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 +Made with PLUMED t=0.150000 +132 + 1ACE HH31 1 -0.559 -1.143 2.590 0.0000 0.0000 0.0000 + 1ACE CH3 2 -0.542 -1.233 2.531 0.0000 0.0000 0.0000 + 1ACE HH32 3 -0.439 -1.267 2.525 0.0000 0.0000 0.0000 + 1ACE HH33 4 -0.595 -1.312 2.584 0.0000 0.0000 0.0000 + 1ACE C 5 -0.611 -1.201 2.399 0.0000 0.0000 0.0000 + 1ACE O 6 -0.594 -1.272 2.300 0.0000 0.0000 0.0000 + 2ALA N 7 -0.682 -1.088 2.397 0.0000 0.0000 0.0000 + 2ALA H 8 -0.663 -1.047 2.487 0.0000 0.0000 0.0000 + 2ALA CA 9 -0.769 -1.026 2.298 0.0000 0.0000 0.0000 + 2ALA HA 10 -0.751 -1.054 2.194 0.0000 0.0000 0.0000 + 2ALA CB 11 -0.914 -1.053 2.335 0.0000 0.0000 0.0000 + 2ALA HB1 12 -0.928 -1.075 2.441 0.0000 0.0000 0.0000 + 2ALA HB2 13 -0.956 -1.135 2.276 0.0000 0.0000 0.0000 + 2ALA HB3 14 -0.977 -0.965 2.322 0.0000 0.0000 0.0000 + 2ALA C 15 -0.753 -0.876 2.314 0.0000 0.0000 0.0000 + 2ALA O 16 -0.685 -0.829 2.404 0.0000 0.0000 0.0000 + 3ALA N 17 -0.812 -0.799 2.221 0.0000 0.0000 0.0000 + 3ALA H 18 -0.875 -0.853 2.163 0.0000 0.0000 0.0000 + 3ALA CA 19 -0.813 -0.655 2.232 0.0000 0.0000 0.0000 + 3ALA HA 20 -0.827 -0.627 2.336 0.0000 0.0000 0.0000 + 3ALA CB 21 -0.685 -0.591 2.178 0.0000 0.0000 0.0000 + 3ALA HB1 22 -0.679 -0.583 2.070 0.0000 0.0000 0.0000 + 3ALA HB2 23 -0.597 -0.639 2.220 0.0000 0.0000 0.0000 + 3ALA HB3 24 -0.680 -0.491 2.221 0.0000 0.0000 0.0000 + 3ALA C 25 -0.934 -0.593 2.163 0.0000 0.0000 0.0000 + 3ALA O 26 -0.993 -0.658 2.077 0.0000 0.0000 0.0000 + 4ALA N 27 -0.966 -0.469 2.200 0.0000 0.0000 0.0000 + 4ALA H 28 -0.898 -0.423 2.259 0.0000 0.0000 0.0000 + 4ALA CA 29 -1.073 -0.389 2.144 0.0000 0.0000 0.0000 + 4ALA HA 30 -1.169 -0.423 2.184 0.0000 0.0000 0.0000 + 4ALA CB 31 -1.053 -0.246 2.194 0.0000 0.0000 0.0000 + 4ALA HB1 32 -1.141 -0.181 2.195 0.0000 0.0000 0.0000 + 4ALA HB2 33 -0.976 -0.208 2.127 0.0000 0.0000 0.0000 + 4ALA HB3 34 -1.015 -0.250 2.296 0.0000 0.0000 0.0000 + 4ALA C 35 -1.082 -0.397 1.993 0.0000 0.0000 0.0000 + 4ALA O 36 -1.170 -0.458 1.933 0.0000 0.0000 0.0000 + 5ALA N 37 -0.981 -0.342 1.925 0.0000 0.0000 0.0000 + 5ALA H 38 -0.916 -0.291 1.983 0.0000 0.0000 0.0000 + 5ALA CA 39 -0.959 -0.347 1.782 0.0000 0.0000 0.0000 + 5ALA HA 40 -1.036 -0.281 1.740 0.0000 0.0000 0.0000 + 5ALA CB 41 -0.822 -0.291 1.745 0.0000 0.0000 0.0000 + 5ALA HB1 42 -0.809 -0.271 1.639 0.0000 0.0000 0.0000 + 5ALA HB2 43 -0.744 -0.363 1.773 0.0000 0.0000 0.0000 + 5ALA HB3 44 -0.816 -0.191 1.788 0.0000 0.0000 0.0000 + 5ALA C 45 -0.967 -0.484 1.718 0.0000 0.0000 0.0000 + 5ALA O 46 -1.040 -0.505 1.621 0.0000 0.0000 0.0000 + 6ALA N 47 -0.894 -0.581 1.775 0.0000 0.0000 0.0000 + 6ALA H 48 -0.829 -0.572 1.852 0.0000 0.0000 0.0000 + 6ALA CA 49 -0.892 -0.708 1.705 0.0000 0.0000 0.0000 + 6ALA HA 50 -0.873 -0.700 1.598 0.0000 0.0000 0.0000 + 6ALA CB 51 -0.782 -0.800 1.756 0.0000 0.0000 0.0000 + 6ALA HB1 52 -0.681 -0.763 1.740 0.0000 0.0000 0.0000 + 6ALA HB2 53 -0.791 -0.902 1.717 0.0000 0.0000 0.0000 + 6ALA HB3 54 -0.797 -0.801 1.864 0.0000 0.0000 0.0000 + 6ALA C 55 -1.024 -0.783 1.707 0.0000 0.0000 0.0000 + 6ALA O 56 -1.048 -0.865 1.618 0.0000 0.0000 0.0000 + 7ALA N 57 -1.104 -0.766 1.812 0.0000 0.0000 0.0000 + 7ALA H 58 -1.081 -0.693 1.878 0.0000 0.0000 0.0000 + 7ALA CA 59 -1.239 -0.818 1.826 0.0000 0.0000 0.0000 + 7ALA HA 60 -1.244 -0.922 1.795 0.0000 0.0000 0.0000 + 7ALA CB 61 -1.272 -0.819 1.975 0.0000 0.0000 0.0000 + 7ALA HB1 62 -1.302 -0.723 2.017 0.0000 0.0000 0.0000 + 7ALA HB2 63 -1.182 -0.843 2.030 0.0000 0.0000 0.0000 + 7ALA HB3 64 -1.359 -0.885 1.987 0.0000 0.0000 0.0000 + 7ALA C 65 -1.334 -0.741 1.734 0.0000 0.0000 0.0000 + 7ALA O 66 -1.418 -0.803 1.670 0.0000 0.0000 0.0000 + 8ALA N 67 -1.309 -0.610 1.723 0.0000 0.0000 0.0000 + 8ALA H 68 -1.238 -0.566 1.779 0.0000 0.0000 0.0000 + 8ALA CA 69 -1.368 -0.534 1.614 0.0000 0.0000 0.0000 + 8ALA HA 70 -1.476 -0.546 1.625 0.0000 0.0000 0.0000 + 8ALA CB 71 -1.330 -0.388 1.634 0.0000 0.0000 0.0000 + 8ALA HB1 72 -1.376 -0.332 1.552 0.0000 0.0000 0.0000 + 8ALA HB2 73 -1.224 -0.364 1.626 0.0000 0.0000 0.0000 + 8ALA HB3 74 -1.373 -0.351 1.727 0.0000 0.0000 0.0000 + 8ALA C 75 -1.346 -0.595 1.477 0.0000 0.0000 0.0000 + 8ALA O 76 -1.443 -0.622 1.406 0.0000 0.0000 0.0000 + 9ALA N 77 -1.224 -0.630 1.436 0.0000 0.0000 0.0000 + 9ALA H 78 -1.150 -0.600 1.498 0.0000 0.0000 0.0000 + 9ALA CA 79 -1.179 -0.689 1.312 0.0000 0.0000 0.0000 + 9ALA HA 80 -1.241 -0.659 1.227 0.0000 0.0000 0.0000 + 9ALA CB 81 -1.042 -0.626 1.285 0.0000 0.0000 0.0000 + 9ALA HB1 82 -1.013 -0.637 1.180 0.0000 0.0000 0.0000 + 9ALA HB2 83 -0.966 -0.672 1.348 0.0000 0.0000 0.0000 + 9ALA HB3 84 -1.027 -0.519 1.295 0.0000 0.0000 0.0000 + 9ALA C 85 -1.177 -0.841 1.311 0.0000 0.0000 0.0000 + 9ALA O 86 -1.100 -0.907 1.242 0.0000 0.0000 0.0000 + 10ALA N 87 -1.275 -0.897 1.382 0.0000 0.0000 0.0000 + 10ALA H 88 -1.332 -0.838 1.441 0.0000 0.0000 0.0000 + 10ALA CA 89 -1.312 -1.037 1.391 0.0000 0.0000 0.0000 + 10ALA HA 90 -1.387 -1.032 1.470 0.0000 0.0000 0.0000 + 10ALA CB 91 -1.385 -1.082 1.265 0.0000 0.0000 0.0000 + 10ALA HB1 92 -1.476 -1.140 1.280 0.0000 0.0000 0.0000 + 10ALA HB2 93 -1.322 -1.140 1.198 0.0000 0.0000 0.0000 + 10ALA HB3 94 -1.421 -0.997 1.207 0.0000 0.0000 0.0000 + 10ALA C 95 -1.211 -1.134 1.453 0.0000 0.0000 0.0000 + 10ALA O 96 -1.250 -1.201 1.549 0.0000 0.0000 0.0000 + 11ALA N 97 -1.083 -1.138 1.417 0.0000 0.0000 0.0000 + 11ALA H 98 -1.075 -1.063 1.349 0.0000 0.0000 0.0000 + 11ALA CA 99 -0.963 -1.202 1.466 0.0000 0.0000 0.0000 + 11ALA HA 100 -0.948 -1.294 1.409 0.0000 0.0000 0.0000 + 11ALA CB 101 -0.847 -1.114 1.421 0.0000 0.0000 0.0000 + 11ALA HB1 102 -0.845 -1.022 1.480 0.0000 0.0000 0.0000 + 11ALA HB2 103 -0.853 -1.086 1.316 0.0000 0.0000 0.0000 + 11ALA HB3 104 -0.747 -1.152 1.444 0.0000 0.0000 0.0000 + 11ALA C 105 -0.969 -1.225 1.616 0.0000 0.0000 0.0000 + 11ALA O 106 -0.934 -1.330 1.670 0.0000 0.0000 0.0000 + 12ALA N 107 -1.014 -1.127 1.695 0.0000 0.0000 0.0000 + 12ALA H 108 -1.035 -1.045 1.640 0.0000 0.0000 0.0000 + 12ALA CA 109 -1.037 -1.122 1.838 0.0000 0.0000 0.0000 + 12ALA HA 110 -1.078 -1.023 1.858 0.0000 0.0000 0.0000 + 12ALA CB 111 -1.133 -1.228 1.889 0.0000 0.0000 0.0000 + 12ALA HB1 112 -1.076 -1.315 1.921 0.0000 0.0000 0.0000 + 12ALA HB2 113 -1.200 -1.251 1.806 0.0000 0.0000 0.0000 + 12ALA HB3 114 -1.198 -1.197 1.971 0.0000 0.0000 0.0000 + 12ALA C 115 -0.909 -1.119 1.920 0.0000 0.0000 0.0000 + 12ALA O 116 -0.897 -1.034 2.008 0.0000 0.0000 0.0000 + 13ALA N 117 -0.813 -1.207 1.891 0.0000 0.0000 0.0000 + 13ALA H 118 -0.824 -1.254 1.802 0.0000 0.0000 0.0000 + 13ALA CA 119 -0.693 -1.224 1.971 0.0000 0.0000 0.0000 + 13ALA HA 120 -0.713 -1.247 2.075 0.0000 0.0000 0.0000 + 13ALA CB 121 -0.640 -1.362 1.933 0.0000 0.0000 0.0000 + 13ALA HB1 122 -0.561 -1.394 2.001 0.0000 0.0000 0.0000 + 13ALA HB2 123 -0.599 -1.344 1.833 0.0000 0.0000 0.0000 + 13ALA HB3 124 -0.710 -1.445 1.931 0.0000 0.0000 0.0000 + 13ALA C 125 -0.592 -1.111 1.959 0.0000 0.0000 0.0000 + 13ALA O 126 -0.578 -1.059 1.849 0.0000 0.0000 0.0000 + 14NME N 127 -0.524 -1.074 2.068 0.0000 0.0000 0.0000 + 14NME H 128 -0.509 -1.137 2.146 0.0000 0.0000 0.0000 + 14NME CH3 129 -0.439 -0.957 2.073 0.0000 0.0000 0.0000 + 14NME HH31 130 -0.371 -0.964 1.988 0.0000 0.0000 0.0000 + 14NME HH32 131 -0.379 -0.945 2.164 0.0000 0.0000 0.0000 + 14NME HH33 132 -0.505 -0.872 2.065 0.0000 0.0000 0.0000 + 100.0000000 100.0000000 100.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 +Made with PLUMED t=0.200000 +132 + 1ACE HH31 1 -0.645 -0.326 2.596 0.0000 0.0000 0.0000 + 1ACE CH3 2 -0.672 -0.294 2.495 0.0000 0.0000 0.0000 + 1ACE HH32 3 -0.746 -0.215 2.506 0.0000 0.0000 0.0000 + 1ACE HH33 4 -0.579 -0.270 2.443 0.0000 0.0000 0.0000 + 1ACE C 5 -0.739 -0.407 2.419 0.0000 0.0000 0.0000 + 1ACE O 6 -0.781 -0.390 2.305 0.0000 0.0000 0.0000 + 2ALA N 7 -0.754 -0.521 2.488 0.0000 0.0000 0.0000 + 2ALA H 8 -0.697 -0.516 2.571 0.0000 0.0000 0.0000 + 2ALA CA 9 -0.804 -0.652 2.453 0.0000 0.0000 0.0000 + 2ALA HA 10 -0.729 -0.696 2.387 0.0000 0.0000 0.0000 + 2ALA CB 11 -0.801 -0.739 2.579 0.0000 0.0000 0.0000 + 2ALA HB1 12 -0.843 -0.685 2.664 0.0000 0.0000 0.0000 + 2ALA HB2 13 -0.699 -0.764 2.609 0.0000 0.0000 0.0000 + 2ALA HB3 14 -0.845 -0.838 2.572 0.0000 0.0000 0.0000 + 2ALA C 15 -0.937 -0.642 2.379 0.0000 0.0000 0.0000 + 2ALA O 16 -0.943 -0.692 2.267 0.0000 0.0000 0.0000 + 3ALA N 17 -1.034 -0.561 2.423 0.0000 0.0000 0.0000 + 3ALA H 18 -1.026 -0.535 2.520 0.0000 0.0000 0.0000 + 3ALA CA 19 -1.159 -0.534 2.354 0.0000 0.0000 0.0000 + 3ALA HA 20 -1.216 -0.627 2.351 0.0000 0.0000 0.0000 + 3ALA CB 21 -1.237 -0.429 2.432 0.0000 0.0000 0.0000 + 3ALA HB1 22 -1.256 -0.477 2.528 0.0000 0.0000 0.0000 + 3ALA HB2 23 -1.330 -0.397 2.385 0.0000 0.0000 0.0000 + 3ALA HB3 24 -1.175 -0.341 2.452 0.0000 0.0000 0.0000 + 3ALA C 25 -1.135 -0.494 2.209 0.0000 0.0000 0.0000 + 3ALA O 26 -1.206 -0.551 2.127 0.0000 0.0000 0.0000 + 4ALA N 27 -1.049 -0.399 2.171 0.0000 0.0000 0.0000 + 4ALA H 28 -0.983 -0.362 2.237 0.0000 0.0000 0.0000 + 4ALA CA 29 -1.044 -0.348 2.035 0.0000 0.0000 0.0000 + 4ALA HA 30 -1.147 -0.341 1.999 0.0000 0.0000 0.0000 + 4ALA CB 31 -0.986 -0.207 2.036 0.0000 0.0000 0.0000 + 4ALA HB1 32 -0.991 -0.175 1.932 0.0000 0.0000 0.0000 + 4ALA HB2 33 -0.878 -0.198 2.053 0.0000 0.0000 0.0000 + 4ALA HB3 34 -1.049 -0.150 2.105 0.0000 0.0000 0.0000 + 4ALA C 35 -0.969 -0.441 1.941 0.0000 0.0000 0.0000 + 4ALA O 36 -1.002 -0.463 1.824 0.0000 0.0000 0.0000 + 5ALA N 37 -0.869 -0.506 2.001 0.0000 0.0000 0.0000 + 5ALA H 38 -0.868 -0.488 2.100 0.0000 0.0000 0.0000 + 5ALA CA 39 -0.803 -0.625 1.953 0.0000 0.0000 0.0000 + 5ALA HA 40 -0.750 -0.584 1.867 0.0000 0.0000 0.0000 + 5ALA CB 41 -0.701 -0.667 2.059 0.0000 0.0000 0.0000 + 5ALA HB1 42 -0.728 -0.643 2.161 0.0000 0.0000 0.0000 + 5ALA HB2 43 -0.606 -0.615 2.049 0.0000 0.0000 0.0000 + 5ALA HB3 44 -0.679 -0.774 2.054 0.0000 0.0000 0.0000 + 5ALA C 45 -0.889 -0.739 1.899 0.0000 0.0000 0.0000 + 5ALA O 46 -0.892 -0.760 1.778 0.0000 0.0000 0.0000 + 6ALA N 47 -0.973 -0.797 1.984 0.0000 0.0000 0.0000 + 6ALA H 48 -0.958 -0.766 2.079 0.0000 0.0000 0.0000 + 6ALA CA 49 -1.086 -0.885 1.960 0.0000 0.0000 0.0000 + 6ALA HA 50 -1.044 -0.981 1.928 0.0000 0.0000 0.0000 + 6ALA CB 51 -1.166 -0.906 2.088 0.0000 0.0000 0.0000 + 6ALA HB1 52 -1.103 -0.940 2.170 0.0000 0.0000 0.0000 + 6ALA HB2 53 -1.236 -0.987 2.067 0.0000 0.0000 0.0000 + 6ALA HB3 54 -1.213 -0.810 2.111 0.0000 0.0000 0.0000 + 6ALA C 55 -1.173 -0.830 1.848 0.0000 0.0000 0.0000 + 6ALA O 56 -1.206 -0.903 1.756 0.0000 0.0000 0.0000 + 7ALA N 57 -1.214 -0.703 1.854 0.0000 0.0000 0.0000 + 7ALA H 58 -1.194 -0.651 1.938 0.0000 0.0000 0.0000 + 7ALA CA 59 -1.312 -0.650 1.761 0.0000 0.0000 0.0000 + 7ALA HA 60 -1.396 -0.717 1.746 0.0000 0.0000 0.0000 + 7ALA CB 61 -1.360 -0.520 1.824 0.0000 0.0000 0.0000 + 7ALA HB1 62 -1.279 -0.447 1.824 0.0000 0.0000 0.0000 + 7ALA HB2 63 -1.400 -0.531 1.924 0.0000 0.0000 0.0000 + 7ALA HB3 64 -1.440 -0.484 1.759 0.0000 0.0000 0.0000 + 7ALA C 65 -1.261 -0.619 1.621 0.0000 0.0000 0.0000 + 7ALA O 66 -1.344 -0.585 1.537 0.0000 0.0000 0.0000 + 8ALA N 67 -1.132 -0.644 1.597 0.0000 0.0000 0.0000 + 8ALA H 68 -1.085 -0.659 1.685 0.0000 0.0000 0.0000 + 8ALA CA 69 -1.057 -0.615 1.476 0.0000 0.0000 0.0000 + 8ALA HA 70 -1.130 -0.580 1.403 0.0000 0.0000 0.0000 + 8ALA CB 71 -0.969 -0.493 1.502 0.0000 0.0000 0.0000 + 8ALA HB1 72 -0.894 -0.519 1.577 0.0000 0.0000 0.0000 + 8ALA HB2 73 -1.031 -0.408 1.530 0.0000 0.0000 0.0000 + 8ALA HB3 74 -0.921 -0.475 1.406 0.0000 0.0000 0.0000 + 8ALA C 75 -0.970 -0.727 1.419 0.0000 0.0000 0.0000 + 8ALA O 76 -0.986 -0.754 1.300 0.0000 0.0000 0.0000 + 9ALA N 77 -0.876 -0.781 1.496 0.0000 0.0000 0.0000 + 9ALA H 78 -0.865 -0.761 1.594 0.0000 0.0000 0.0000 + 9ALA CA 79 -0.771 -0.857 1.430 0.0000 0.0000 0.0000 + 9ALA HA 80 -0.812 -0.909 1.344 0.0000 0.0000 0.0000 + 9ALA CB 81 -0.672 -0.746 1.397 0.0000 0.0000 0.0000 + 9ALA HB1 82 -0.575 -0.780 1.361 0.0000 0.0000 0.0000 + 9ALA HB2 83 -0.650 -0.677 1.479 0.0000 0.0000 0.0000 + 9ALA HB3 84 -0.711 -0.687 1.314 0.0000 0.0000 0.0000 + 9ALA C 85 -0.706 -0.962 1.518 0.0000 0.0000 0.0000 + 9ALA O 86 -0.619 -1.034 1.468 0.0000 0.0000 0.0000 + 10ALA N 87 -0.746 -0.977 1.645 0.0000 0.0000 0.0000 + 10ALA H 88 -0.822 -0.919 1.677 0.0000 0.0000 0.0000 + 10ALA CA 89 -0.696 -1.082 1.731 0.0000 0.0000 0.0000 + 10ALA HA 90 -0.593 -1.106 1.702 0.0000 0.0000 0.0000 + 10ALA CB 91 -0.695 -1.040 1.877 0.0000 0.0000 0.0000 + 10ALA HB1 92 -0.636 -0.951 1.900 0.0000 0.0000 0.0000 + 10ALA HB2 93 -0.665 -1.120 1.945 0.0000 0.0000 0.0000 + 10ALA HB3 94 -0.795 -1.005 1.901 0.0000 0.0000 0.0000 + 10ALA C 95 -0.776 -1.209 1.710 0.0000 0.0000 0.0000 + 10ALA O 96 -0.868 -1.235 1.788 0.0000 0.0000 0.0000 + 11ALA N 97 -0.756 -1.270 1.593 0.0000 0.0000 0.0000 + 11ALA H 98 -0.681 -1.232 1.538 0.0000 0.0000 0.0000 + 11ALA CA 99 -0.838 -1.380 1.544 0.0000 0.0000 0.0000 + 11ALA HA 100 -0.795 -1.423 1.453 0.0000 0.0000 0.0000 + 11ALA CB 101 -0.844 -1.502 1.635 0.0000 0.0000 0.0000 + 11ALA HB1 102 -0.743 -1.538 1.653 0.0000 0.0000 0.0000 + 11ALA HB2 103 -0.895 -1.587 1.590 0.0000 0.0000 0.0000 + 11ALA HB3 104 -0.897 -1.475 1.726 0.0000 0.0000 0.0000 + 11ALA C 105 -0.976 -1.338 1.497 0.0000 0.0000 0.0000 + 11ALA O 106 -1.010 -1.342 1.379 0.0000 0.0000 0.0000 + 12ALA N 107 -1.061 -1.294 1.590 0.0000 0.0000 0.0000 + 12ALA H 108 -1.016 -1.257 1.673 0.0000 0.0000 0.0000 + 12ALA CA 109 -1.196 -1.243 1.578 0.0000 0.0000 0.0000 + 12ALA HA 110 -1.248 -1.322 1.524 0.0000 0.0000 0.0000 + 12ALA CB 111 -1.263 -1.229 1.715 0.0000 0.0000 0.0000 + 12ALA HB1 112 -1.258 -1.327 1.761 0.0000 0.0000 0.0000 + 12ALA HB2 113 -1.365 -1.193 1.698 0.0000 0.0000 0.0000 + 12ALA HB3 114 -1.215 -1.150 1.773 0.0000 0.0000 0.0000 + 12ALA C 115 -1.205 -1.116 1.494 0.0000 0.0000 0.0000 + 12ALA O 116 -1.105 -1.045 1.484 0.0000 0.0000 0.0000 + 13ALA N 117 -1.326 -1.081 1.452 0.0000 0.0000 0.0000 + 13ALA H 118 -1.405 -1.135 1.483 0.0000 0.0000 0.0000 + 13ALA CA 119 -1.359 -0.946 1.410 0.0000 0.0000 0.0000 + 13ALA HA 120 -1.300 -0.875 1.467 0.0000 0.0000 0.0000 + 13ALA CB 121 -1.327 -0.938 1.261 0.0000 0.0000 0.0000 + 13ALA HB1 122 -1.336 -0.833 1.231 0.0000 0.0000 0.0000 + 13ALA HB2 123 -1.408 -0.976 1.199 0.0000 0.0000 0.0000 + 13ALA HB3 124 -1.234 -0.985 1.229 0.0000 0.0000 0.0000 + 13ALA C 125 -1.507 -0.921 1.436 0.0000 0.0000 0.0000 + 13ALA O 126 -1.589 -1.010 1.411 0.0000 0.0000 0.0000 + 14NME N 127 -1.550 -0.804 1.482 0.0000 0.0000 0.0000 + 14NME H 128 -1.483 -0.728 1.489 0.0000 0.0000 0.0000 + 14NME CH3 129 -1.687 -0.774 1.518 0.0000 0.0000 0.0000 + 14NME HH31 130 -1.741 -0.849 1.576 0.0000 0.0000 0.0000 + 14NME HH32 131 -1.748 -0.786 1.428 0.0000 0.0000 0.0000 + 14NME HH33 132 -1.694 -0.671 1.554 0.0000 0.0000 0.0000 + 100.0000000 100.0000000 100.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 +Made with PLUMED t=0.250000 +132 + 1ACE HH31 1 -0.265 -0.942 2.309 0.0000 0.0000 0.0000 + 1ACE CH3 2 -0.191 -0.877 2.263 0.0000 0.0000 0.0000 + 1ACE HH32 3 -0.091 -0.897 2.303 0.0000 0.0000 0.0000 + 1ACE HH33 4 -0.196 -0.896 2.156 0.0000 0.0000 0.0000 + 1ACE C 5 -0.220 -0.729 2.280 0.0000 0.0000 0.0000 + 1ACE O 6 -0.308 -0.688 2.356 0.0000 0.0000 0.0000 + 2ALA N 7 -0.147 -0.647 2.204 0.0000 0.0000 0.0000 + 2ALA H 8 -0.071 -0.691 2.155 0.0000 0.0000 0.0000 + 2ALA CA 9 -0.157 -0.505 2.176 0.0000 0.0000 0.0000 + 2ALA HA 10 -0.129 -0.445 2.263 0.0000 0.0000 0.0000 + 2ALA CB 11 -0.045 -0.471 2.078 0.0000 0.0000 0.0000 + 2ALA HB1 12 -0.028 -0.364 2.080 0.0000 0.0000 0.0000 + 2ALA HB2 13 -0.068 -0.494 1.974 0.0000 0.0000 0.0000 + 2ALA HB3 14 0.054 -0.507 2.107 0.0000 0.0000 0.0000 + 2ALA C 15 -0.296 -0.458 2.137 0.0000 0.0000 0.0000 + 2ALA O 16 -0.349 -0.361 2.190 0.0000 0.0000 0.0000 + 3ALA N 17 -0.362 -0.534 2.049 0.0000 0.0000 0.0000 + 3ALA H 18 -0.324 -0.625 2.025 0.0000 0.0000 0.0000 + 3ALA CA 19 -0.493 -0.503 1.995 0.0000 0.0000 0.0000 + 3ALA HA 20 -0.546 -0.426 2.051 0.0000 0.0000 0.0000 + 3ALA CB 21 -0.466 -0.445 1.856 0.0000 0.0000 0.0000 + 3ALA HB1 22 -0.427 -0.343 1.862 0.0000 0.0000 0.0000 + 3ALA HB2 23 -0.556 -0.455 1.794 0.0000 0.0000 0.0000 + 3ALA HB3 24 -0.387 -0.496 1.801 0.0000 0.0000 0.0000 + 3ALA C 25 -0.575 -0.631 1.995 0.0000 0.0000 0.0000 + 3ALA O 26 -0.524 -0.740 1.970 0.0000 0.0000 0.0000 + 4ALA N 27 -0.705 -0.616 2.018 0.0000 0.0000 0.0000 + 4ALA H 28 -0.750 -0.526 2.009 0.0000 0.0000 0.0000 + 4ALA CA 29 -0.804 -0.722 2.011 0.0000 0.0000 0.0000 + 4ALA HA 30 -0.779 -0.787 1.927 0.0000 0.0000 0.0000 + 4ALA CB 31 -0.793 -0.815 2.132 0.0000 0.0000 0.0000 + 4ALA HB1 32 -0.869 -0.893 2.122 0.0000 0.0000 0.0000 + 4ALA HB2 33 -0.829 -0.763 2.221 0.0000 0.0000 0.0000 + 4ALA HB3 34 -0.691 -0.852 2.138 0.0000 0.0000 0.0000 + 4ALA C 35 -0.945 -0.671 1.990 0.0000 0.0000 0.0000 + 4ALA O 36 -0.978 -0.561 2.034 0.0000 0.0000 0.0000 + 5ALA N 37 -1.036 -0.754 1.938 0.0000 0.0000 0.0000 + 5ALA H 38 -1.006 -0.843 1.900 0.0000 0.0000 0.0000 + 5ALA CA 39 -1.177 -0.724 1.928 0.0000 0.0000 0.0000 + 5ALA HA 40 -1.211 -0.678 2.021 0.0000 0.0000 0.0000 + 5ALA CB 41 -1.220 -0.618 1.826 0.0000 0.0000 0.0000 + 5ALA HB1 42 -1.183 -0.518 1.849 0.0000 0.0000 0.0000 + 5ALA HB2 43 -1.327 -0.598 1.820 0.0000 0.0000 0.0000 + 5ALA HB3 44 -1.178 -0.651 1.732 0.0000 0.0000 0.0000 + 5ALA C 45 -1.260 -0.848 1.897 0.0000 0.0000 0.0000 + 5ALA O 46 -1.204 -0.935 1.831 0.0000 0.0000 0.0000 + 6ALA N 47 -1.380 -0.861 1.955 0.0000 0.0000 0.0000 + 6ALA H 48 -1.422 -0.777 1.994 0.0000 0.0000 0.0000 + 6ALA CA 49 -1.473 -0.968 1.927 0.0000 0.0000 0.0000 + 6ALA HA 50 -1.451 -1.006 1.827 0.0000 0.0000 0.0000 + 6ALA CB 51 -1.451 -1.087 2.021 0.0000 0.0000 0.0000 + 6ALA HB1 52 -1.467 -1.068 2.127 0.0000 0.0000 0.0000 + 6ALA HB2 53 -1.349 -1.119 2.001 0.0000 0.0000 0.0000 + 6ALA HB3 54 -1.517 -1.171 1.998 0.0000 0.0000 0.0000 + 6ALA C 55 -1.615 -0.915 1.929 0.0000 0.0000 0.0000 + 6ALA O 56 -1.648 -0.817 1.995 0.0000 0.0000 0.0000 + 7ALA N 57 -1.698 -0.980 1.847 0.0000 0.0000 0.0000 + 7ALA H 58 -1.650 -1.048 1.788 0.0000 0.0000 0.0000 + 7ALA CA 59 -1.822 -0.947 1.780 0.0000 0.0000 0.0000 + 7ALA HA 60 -1.841 -1.039 1.726 0.0000 0.0000 0.0000 + 7ALA CB 61 -1.936 -0.942 1.881 0.0000 0.0000 0.0000 + 7ALA HB1 62 -1.917 -1.012 1.963 0.0000 0.0000 0.0000 + 7ALA HB2 63 -2.028 -0.972 1.830 0.0000 0.0000 0.0000 + 7ALA HB3 64 -1.948 -0.843 1.924 0.0000 0.0000 0.0000 + 7ALA C 65 -1.813 -0.836 1.676 0.0000 0.0000 0.0000 + 7ALA O 66 -1.869 -0.851 1.568 0.0000 0.0000 0.0000 + 8ALA N 67 -1.746 -0.724 1.708 0.0000 0.0000 0.0000 + 8ALA H 68 -1.718 -0.717 1.805 0.0000 0.0000 0.0000 + 8ALA CA 69 -1.713 -0.618 1.616 0.0000 0.0000 0.0000 + 8ALA HA 70 -1.799 -0.598 1.551 0.0000 0.0000 0.0000 + 8ALA CB 71 -1.687 -0.486 1.688 0.0000 0.0000 0.0000 + 8ALA HB1 72 -1.769 -0.456 1.754 0.0000 0.0000 0.0000 + 8ALA HB2 73 -1.666 -0.407 1.616 0.0000 0.0000 0.0000 + 8ALA HB3 74 -1.605 -0.504 1.757 0.0000 0.0000 0.0000 + 8ALA C 75 -1.598 -0.667 1.528 0.0000 0.0000 0.0000 + 8ALA O 76 -1.483 -0.636 1.557 0.0000 0.0000 0.0000 + 9ALA N 77 -1.629 -0.758 1.435 0.0000 0.0000 0.0000 + 9ALA H 78 -1.728 -0.779 1.435 0.0000 0.0000 0.0000 + 9ALA CA 79 -1.543 -0.860 1.379 0.0000 0.0000 0.0000 + 9ALA HA 80 -1.603 -0.934 1.326 0.0000 0.0000 0.0000 + 9ALA CB 81 -1.451 -0.803 1.272 0.0000 0.0000 0.0000 + 9ALA HB1 82 -1.363 -0.758 1.317 0.0000 0.0000 0.0000 + 9ALA HB2 83 -1.503 -0.739 1.201 0.0000 0.0000 0.0000 + 9ALA HB3 84 -1.409 -0.886 1.214 0.0000 0.0000 0.0000 + 9ALA C 85 -1.482 -0.951 1.485 0.0000 0.0000 0.0000 + 9ALA O 86 -1.537 -0.965 1.594 0.0000 0.0000 0.0000 + 10ALA N 87 -1.367 -1.012 1.458 0.0000 0.0000 0.0000 + 10ALA H 88 -1.329 -1.008 1.364 0.0000 0.0000 0.0000 + 10ALA CA 89 -1.294 -1.104 1.543 0.0000 0.0000 0.0000 + 10ALA HA 90 -1.301 -1.096 1.652 0.0000 0.0000 0.0000 + 10ALA CB 91 -1.358 -1.239 1.510 0.0000 0.0000 0.0000 + 10ALA HB1 92 -1.349 -1.253 1.402 0.0000 0.0000 0.0000 + 10ALA HB2 93 -1.465 -1.241 1.531 0.0000 0.0000 0.0000 + 10ALA HB3 94 -1.313 -1.323 1.562 0.0000 0.0000 0.0000 + 10ALA C 95 -1.147 -1.095 1.507 0.0000 0.0000 0.0000 + 10ALA O 96 -1.106 -1.138 1.399 0.0000 0.0000 0.0000 + 11ALA N 97 -1.067 -1.037 1.597 0.0000 0.0000 0.0000 + 11ALA H 98 -1.108 -1.022 1.688 0.0000 0.0000 0.0000 + 11ALA CA 99 -0.930 -1.000 1.570 0.0000 0.0000 0.0000 + 11ALA HA 100 -0.895 -1.065 1.490 0.0000 0.0000 0.0000 + 11ALA CB 101 -0.931 -0.858 1.513 0.0000 0.0000 0.0000 + 11ALA HB1 102 -0.829 -0.825 1.499 0.0000 0.0000 0.0000 + 11ALA HB2 103 -0.975 -0.793 1.589 0.0000 0.0000 0.0000 + 11ALA HB3 104 -0.994 -0.847 1.424 0.0000 0.0000 0.0000 + 11ALA C 105 -0.842 -1.008 1.694 0.0000 0.0000 0.0000 + 11ALA O 106 -0.891 -0.993 1.806 0.0000 0.0000 0.0000 + 12ALA N 107 -0.711 -1.030 1.681 0.0000 0.0000 0.0000 + 12ALA H 108 -0.671 -1.052 1.591 0.0000 0.0000 0.0000 + 12ALA CA 109 -0.616 -1.022 1.791 0.0000 0.0000 0.0000 + 12ALA HA 110 -0.648 -0.936 1.849 0.0000 0.0000 0.0000 + 12ALA CB 111 -0.612 -1.146 1.879 0.0000 0.0000 0.0000 + 12ALA HB1 112 -0.691 -1.151 1.954 0.0000 0.0000 0.0000 + 12ALA HB2 113 -0.530 -1.139 1.951 0.0000 0.0000 0.0000 + 12ALA HB3 114 -0.617 -1.237 1.819 0.0000 0.0000 0.0000 + 12ALA C 115 -0.471 -1.009 1.747 0.0000 0.0000 0.0000 + 12ALA O 116 -0.438 -1.073 1.648 0.0000 0.0000 0.0000 + 13ALA N 117 -0.390 -0.924 1.811 0.0000 0.0000 0.0000 + 13ALA H 118 -0.421 -0.858 1.881 0.0000 0.0000 0.0000 + 13ALA CA 119 -0.262 -0.887 1.754 0.0000 0.0000 0.0000 + 13ALA HA 120 -0.215 -0.976 1.712 0.0000 0.0000 0.0000 + 13ALA CB 121 -0.288 -0.775 1.654 0.0000 0.0000 0.0000 + 13ALA HB1 122 -0.299 -0.674 1.692 0.0000 0.0000 0.0000 + 13ALA HB2 123 -0.375 -0.802 1.593 0.0000 0.0000 0.0000 + 13ALA HB3 124 -0.204 -0.772 1.584 0.0000 0.0000 0.0000 + 13ALA C 125 -0.170 -0.836 1.863 0.0000 0.0000 0.0000 + 13ALA O 126 -0.204 -0.760 1.953 0.0000 0.0000 0.0000 + 14NME N 127 -0.042 -0.871 1.844 0.0000 0.0000 0.0000 + 14NME H 128 -0.026 -0.932 1.766 0.0000 0.0000 0.0000 + 14NME CH3 129 0.070 -0.836 1.929 0.0000 0.0000 0.0000 + 14NME HH31 130 0.138 -0.776 1.869 0.0000 0.0000 0.0000 + 14NME HH32 131 0.114 -0.917 1.988 0.0000 0.0000 0.0000 + 14NME HH33 132 0.042 -0.771 2.011 0.0000 0.0000 0.0000 + 100.0000000 100.0000000 100.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 +Made with PLUMED t=0.300000 +132 + 1ACE HH31 1 -1.224 -0.701 1.570 0.0000 0.0000 0.0000 + 1ACE CH3 2 -1.211 -0.800 1.526 0.0000 0.0000 0.0000 + 1ACE HH32 3 -1.288 -0.872 1.553 0.0000 0.0000 0.0000 + 1ACE HH33 4 -1.210 -0.786 1.418 0.0000 0.0000 0.0000 + 1ACE C 5 -1.076 -0.857 1.569 0.0000 0.0000 0.0000 + 1ACE O 6 -1.036 -0.960 1.517 0.0000 0.0000 0.0000 + 2ALA N 7 -0.996 -0.794 1.656 0.0000 0.0000 0.0000 + 2ALA H 8 -1.048 -0.715 1.692 0.0000 0.0000 0.0000 + 2ALA CA 9 -0.855 -0.814 1.681 0.0000 0.0000 0.0000 + 2ALA HA 10 -0.830 -0.900 1.619 0.0000 0.0000 0.0000 + 2ALA CB 11 -0.773 -0.695 1.632 0.0000 0.0000 0.0000 + 2ALA HB1 12 -0.801 -0.612 1.697 0.0000 0.0000 0.0000 + 2ALA HB2 13 -0.803 -0.670 1.531 0.0000 0.0000 0.0000 + 2ALA HB3 14 -0.667 -0.720 1.629 0.0000 0.0000 0.0000 + 2ALA C 15 -0.839 -0.850 1.827 0.0000 0.0000 0.0000 + 2ALA O 16 -0.761 -0.789 1.900 0.0000 0.0000 0.0000 + 3ALA N 17 -0.908 -0.956 1.871 0.0000 0.0000 0.0000 + 3ALA H 18 -0.984 -0.997 1.819 0.0000 0.0000 0.0000 + 3ALA CA 19 -0.916 -0.995 2.011 0.0000 0.0000 0.0000 + 3ALA HA 20 -0.993 -1.072 2.017 0.0000 0.0000 0.0000 + 3ALA CB 21 -0.782 -1.058 2.049 0.0000 0.0000 0.0000 + 3ALA HB1 22 -0.747 -1.140 1.986 0.0000 0.0000 0.0000 + 3ALA HB2 23 -0.799 -1.102 2.147 0.0000 0.0000 0.0000 + 3ALA HB3 24 -0.700 -0.986 2.046 0.0000 0.0000 0.0000 + 3ALA C 25 -0.971 -0.893 2.111 0.0000 0.0000 0.0000 + 3ALA O 26 -1.074 -0.915 2.173 0.0000 0.0000 0.0000 + 4ALA N 27 -0.879 -0.801 2.142 0.0000 0.0000 0.0000 + 4ALA H 28 -0.807 -0.799 2.071 0.0000 0.0000 0.0000 + 4ALA CA 29 -0.897 -0.689 2.231 0.0000 0.0000 0.0000 + 4ALA HA 30 -0.996 -0.685 2.278 0.0000 0.0000 0.0000 + 4ALA CB 31 -0.801 -0.712 2.347 0.0000 0.0000 0.0000 + 4ALA HB1 32 -0.787 -0.622 2.407 0.0000 0.0000 0.0000 + 4ALA HB2 33 -0.702 -0.744 2.314 0.0000 0.0000 0.0000 + 4ALA HB3 34 -0.843 -0.784 2.417 0.0000 0.0000 0.0000 + 4ALA C 35 -0.873 -0.553 2.166 0.0000 0.0000 0.0000 + 4ALA O 36 -0.926 -0.452 2.211 0.0000 0.0000 0.0000 + 5ALA N 37 -0.796 -0.546 2.057 0.0000 0.0000 0.0000 + 5ALA H 38 -0.792 -0.631 2.004 0.0000 0.0000 0.0000 + 5ALA CA 39 -0.722 -0.428 2.017 0.0000 0.0000 0.0000 + 5ALA HA 40 -0.658 -0.397 2.100 0.0000 0.0000 0.0000 + 5ALA CB 41 -0.617 -0.483 1.921 0.0000 0.0000 0.0000 + 5ALA HB1 42 -0.545 -0.538 1.981 0.0000 0.0000 0.0000 + 5ALA HB2 43 -0.563 -0.397 1.881 0.0000 0.0000 0.0000 + 5ALA HB3 44 -0.648 -0.546 1.838 0.0000 0.0000 0.0000 + 5ALA C 45 -0.814 -0.323 1.957 0.0000 0.0000 0.0000 + 5ALA O 46 -0.829 -0.316 1.835 0.0000 0.0000 0.0000 + 6ALA N 47 -0.886 -0.243 2.035 0.0000 0.0000 0.0000 + 6ALA H 48 -0.880 -0.255 2.135 0.0000 0.0000 0.0000 + 6ALA CA 49 -0.991 -0.149 1.999 0.0000 0.0000 0.0000 + 6ALA HA 50 -1.021 -0.097 2.090 0.0000 0.0000 0.0000 + 6ALA CB 51 -0.949 -0.044 1.898 0.0000 0.0000 0.0000 + 6ALA HB1 52 -0.921 -0.097 1.807 0.0000 0.0000 0.0000 + 6ALA HB2 53 -0.864 0.008 1.942 0.0000 0.0000 0.0000 + 6ALA HB3 54 -1.037 0.018 1.878 0.0000 0.0000 0.0000 + 6ALA C 55 -1.115 -0.223 1.950 0.0000 0.0000 0.0000 + 6ALA O 56 -1.227 -0.186 1.986 0.0000 0.0000 0.0000 + 7ALA N 57 -1.100 -0.333 1.877 0.0000 0.0000 0.0000 + 7ALA H 58 -1.006 -0.352 1.844 0.0000 0.0000 0.0000 + 7ALA CA 59 -1.206 -0.414 1.820 0.0000 0.0000 0.0000 + 7ALA HA 60 -1.304 -0.366 1.824 0.0000 0.0000 0.0000 + 7ALA CB 61 -1.161 -0.427 1.675 0.0000 0.0000 0.0000 + 7ALA HB1 62 -1.082 -0.498 1.652 0.0000 0.0000 0.0000 + 7ALA HB2 63 -1.130 -0.334 1.627 0.0000 0.0000 0.0000 + 7ALA HB3 64 -1.241 -0.461 1.608 0.0000 0.0000 0.0000 + 7ALA C 65 -1.213 -0.549 1.890 0.0000 0.0000 0.0000 + 7ALA O 66 -1.135 -0.635 1.851 0.0000 0.0000 0.0000 + 8ALA N 67 -1.297 -0.568 1.992 0.0000 0.0000 0.0000 + 8ALA H 68 -1.357 -0.489 2.011 0.0000 0.0000 0.0000 + 8ALA CA 69 -1.295 -0.671 2.093 0.0000 0.0000 0.0000 + 8ALA HA 70 -1.197 -0.719 2.096 0.0000 0.0000 0.0000 + 8ALA CB 71 -1.313 -0.603 2.229 0.0000 0.0000 0.0000 + 8ALA HB1 72 -1.417 -0.572 2.228 0.0000 0.0000 0.0000 + 8ALA HB2 73 -1.247 -0.517 2.230 0.0000 0.0000 0.0000 + 8ALA HB3 74 -1.282 -0.674 2.306 0.0000 0.0000 0.0000 + 8ALA C 75 -1.394 -0.779 2.054 0.0000 0.0000 0.0000 + 8ALA O 76 -1.506 -0.784 2.105 0.0000 0.0000 0.0000 + 9ALA N 77 -1.349 -0.861 1.958 0.0000 0.0000 0.0000 + 9ALA H 78 -1.259 -0.837 1.918 0.0000 0.0000 0.0000 + 9ALA CA 79 -1.399 -0.990 1.917 0.0000 0.0000 0.0000 + 9ALA HA 80 -1.414 -1.050 2.007 0.0000 0.0000 0.0000 + 9ALA CB 81 -1.536 -0.972 1.853 0.0000 0.0000 0.0000 + 9ALA HB1 82 -1.607 -0.937 1.928 0.0000 0.0000 0.0000 + 9ALA HB2 83 -1.574 -1.071 1.826 0.0000 0.0000 0.0000 + 9ALA HB3 84 -1.536 -0.908 1.765 0.0000 0.0000 0.0000 + 9ALA C 85 -1.290 -1.058 1.836 0.0000 0.0000 0.0000 + 9ALA O 86 -1.173 -1.019 1.831 0.0000 0.0000 0.0000 + 10ALA N 87 -1.334 -1.164 1.766 0.0000 0.0000 0.0000 + 10ALA H 88 -1.430 -1.187 1.748 0.0000 0.0000 0.0000 + 10ALA CA 89 -1.243 -1.246 1.689 0.0000 0.0000 0.0000 + 10ALA HA 90 -1.141 -1.208 1.695 0.0000 0.0000 0.0000 + 10ALA CB 91 -1.240 -1.384 1.754 0.0000 0.0000 0.0000 + 10ALA HB1 92 -1.186 -1.396 1.848 0.0000 0.0000 0.0000 + 10ALA HB2 93 -1.191 -1.452 1.686 0.0000 0.0000 0.0000 + 10ALA HB3 94 -1.339 -1.427 1.770 0.0000 0.0000 0.0000 + 10ALA C 95 -1.286 -1.247 1.543 0.0000 0.0000 0.0000 + 10ALA O 96 -1.394 -1.297 1.514 0.0000 0.0000 0.0000 + 11ALA N 97 -1.195 -1.200 1.458 0.0000 0.0000 0.0000 + 11ALA H 98 -1.120 -1.143 1.496 0.0000 0.0000 0.0000 + 11ALA CA 99 -1.194 -1.228 1.316 0.0000 0.0000 0.0000 + 11ALA HA 100 -1.223 -1.333 1.306 0.0000 0.0000 0.0000 + 11ALA CB 101 -1.290 -1.135 1.242 0.0000 0.0000 0.0000 + 11ALA HB1 102 -1.392 -1.166 1.263 0.0000 0.0000 0.0000 + 11ALA HB2 103 -1.264 -1.132 1.136 0.0000 0.0000 0.0000 + 11ALA HB3 104 -1.280 -1.032 1.275 0.0000 0.0000 0.0000 + 11ALA C 105 -1.049 -1.215 1.270 0.0000 0.0000 0.0000 + 11ALA O 106 -0.997 -1.318 1.228 0.0000 0.0000 0.0000 + 12ALA N 107 -0.994 -1.093 1.267 0.0000 0.0000 0.0000 + 12ALA H 108 -1.051 -1.026 1.316 0.0000 0.0000 0.0000 + 12ALA CA 109 -0.856 -1.063 1.235 0.0000 0.0000 0.0000 + 12ALA HA 110 -0.833 -1.082 1.130 0.0000 0.0000 0.0000 + 12ALA CB 111 -0.825 -0.915 1.250 0.0000 0.0000 0.0000 + 12ALA HB1 112 -0.818 -0.886 1.354 0.0000 0.0000 0.0000 + 12ALA HB2 113 -0.895 -0.846 1.201 0.0000 0.0000 0.0000 + 12ALA HB3 114 -0.732 -0.879 1.205 0.0000 0.0000 0.0000 + 12ALA C 115 -0.756 -1.136 1.325 0.0000 0.0000 0.0000 + 12ALA O 116 -0.652 -1.180 1.278 0.0000 0.0000 0.0000 + 13ALA N 117 -0.791 -1.146 1.454 0.0000 0.0000 0.0000 + 13ALA H 118 -0.879 -1.106 1.484 0.0000 0.0000 0.0000 + 13ALA CA 119 -0.705 -1.188 1.563 0.0000 0.0000 0.0000 + 13ALA HA 120 -0.756 -1.155 1.654 0.0000 0.0000 0.0000 + 13ALA CB 121 -0.709 -1.341 1.567 0.0000 0.0000 0.0000 + 13ALA HB1 122 -0.690 -1.383 1.469 0.0000 0.0000 0.0000 + 13ALA HB2 123 -0.800 -1.376 1.615 0.0000 0.0000 0.0000 + 13ALA HB3 124 -0.628 -1.370 1.635 0.0000 0.0000 0.0000 + 13ALA C 125 -0.572 -1.116 1.551 0.0000 0.0000 0.0000 + 13ALA O 126 -0.563 -0.994 1.561 0.0000 0.0000 0.0000 + 14NME N 127 -0.463 -1.194 1.540 0.0000 0.0000 0.0000 + 14NME H 128 -0.486 -1.291 1.526 0.0000 0.0000 0.0000 + 14NME CH3 129 -0.331 -1.137 1.531 0.0000 0.0000 0.0000 + 14NME HH31 130 -0.296 -1.121 1.429 0.0000 0.0000 0.0000 + 14NME HH32 131 -0.263 -1.215 1.564 0.0000 0.0000 0.0000 + 14NME HH33 132 -0.327 -1.051 1.598 0.0000 0.0000 0.0000 + 100.0000000 100.0000000 100.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 +Made with PLUMED t=0.350000 +132 + 1ACE HH31 1 -0.326 -0.921 2.604 0.0000 0.0000 0.0000 + 1ACE CH3 2 -0.404 -0.848 2.581 0.0000 0.0000 0.0000 + 1ACE HH32 3 -0.482 -0.848 2.657 0.0000 0.0000 0.0000 + 1ACE HH33 4 -0.367 -0.745 2.579 0.0000 0.0000 0.0000 + 1ACE C 5 -0.470 -0.880 2.448 0.0000 0.0000 0.0000 + 1ACE O 6 -0.409 -0.934 2.357 0.0000 0.0000 0.0000 + 2ALA N 7 -0.603 -0.866 2.443 0.0000 0.0000 0.0000 + 2ALA H 8 -0.638 -0.830 2.530 0.0000 0.0000 0.0000 + 2ALA CA 9 -0.679 -0.868 2.319 0.0000 0.0000 0.0000 + 2ALA HA 10 -0.651 -0.951 2.254 0.0000 0.0000 0.0000 + 2ALA CB 11 -0.827 -0.891 2.347 0.0000 0.0000 0.0000 + 2ALA HB1 12 -0.881 -0.842 2.267 0.0000 0.0000 0.0000 + 2ALA HB2 13 -0.862 -0.854 2.444 0.0000 0.0000 0.0000 + 2ALA HB3 14 -0.851 -0.997 2.340 0.0000 0.0000 0.0000 + 2ALA C 15 -0.653 -0.736 2.248 0.0000 0.0000 0.0000 + 2ALA O 16 -0.668 -0.629 2.307 0.0000 0.0000 0.0000 + 3ALA N 17 -0.640 -0.740 2.115 0.0000 0.0000 0.0000 + 3ALA H 18 -0.626 -0.833 2.078 0.0000 0.0000 0.0000 + 3ALA CA 19 -0.637 -0.630 2.022 0.0000 0.0000 0.0000 + 3ALA HA 20 -0.575 -0.554 2.070 0.0000 0.0000 0.0000 + 3ALA CB 21 -0.564 -0.672 1.895 0.0000 0.0000 0.0000 + 3ALA HB1 22 -0.596 -0.770 1.859 0.0000 0.0000 0.0000 + 3ALA HB2 23 -0.458 -0.670 1.922 0.0000 0.0000 0.0000 + 3ALA HB3 24 -0.572 -0.601 1.813 0.0000 0.0000 0.0000 + 3ALA C 25 -0.769 -0.559 1.993 0.0000 0.0000 0.0000 + 3ALA O 26 -0.825 -0.563 1.884 0.0000 0.0000 0.0000 + 4ALA N 27 -0.824 -0.498 2.098 0.0000 0.0000 0.0000 + 4ALA H 28 -0.785 -0.529 2.187 0.0000 0.0000 0.0000 + 4ALA CA 29 -0.931 -0.400 2.094 0.0000 0.0000 0.0000 + 4ALA HA 30 -0.967 -0.408 2.197 0.0000 0.0000 0.0000 + 4ALA CB 31 -0.867 -0.263 2.078 0.0000 0.0000 0.0000 + 4ALA HB1 32 -0.818 -0.265 1.981 0.0000 0.0000 0.0000 + 4ALA HB2 33 -0.790 -0.248 2.154 0.0000 0.0000 0.0000 + 4ALA HB3 34 -0.935 -0.179 2.092 0.0000 0.0000 0.0000 + 4ALA C 35 -1.051 -0.440 2.010 0.0000 0.0000 0.0000 + 4ALA O 36 -1.116 -0.543 2.026 0.0000 0.0000 0.0000 + 5ALA N 37 -1.085 -0.351 1.917 0.0000 0.0000 0.0000 + 5ALA H 38 -1.047 -0.257 1.926 0.0000 0.0000 0.0000 + 5ALA CA 39 -1.200 -0.367 1.831 0.0000 0.0000 0.0000 + 5ALA HA 40 -1.292 -0.372 1.889 0.0000 0.0000 0.0000 + 5ALA CB 41 -1.207 -0.235 1.755 0.0000 0.0000 0.0000 + 5ALA HB1 42 -1.220 -0.163 1.835 0.0000 0.0000 0.0000 + 5ALA HB2 43 -1.292 -0.238 1.687 0.0000 0.0000 0.0000 + 5ALA HB3 44 -1.115 -0.214 1.700 0.0000 0.0000 0.0000 + 5ALA C 45 -1.190 -0.488 1.738 0.0000 0.0000 0.0000 + 5ALA O 46 -1.286 -0.562 1.718 0.0000 0.0000 0.0000 + 6ALA N 47 -1.075 -0.497 1.671 0.0000 0.0000 0.0000 + 6ALA H 48 -1.011 -0.426 1.704 0.0000 0.0000 0.0000 + 6ALA CA 49 -1.032 -0.612 1.594 0.0000 0.0000 0.0000 + 6ALA HA 50 -1.092 -0.610 1.503 0.0000 0.0000 0.0000 + 6ALA CB 51 -0.885 -0.593 1.559 0.0000 0.0000 0.0000 + 6ALA HB1 52 -0.860 -0.487 1.558 0.0000 0.0000 0.0000 + 6ALA HB2 53 -0.876 -0.633 1.458 0.0000 0.0000 0.0000 + 6ALA HB3 54 -0.819 -0.652 1.622 0.0000 0.0000 0.0000 + 6ALA C 55 -1.047 -0.749 1.658 0.0000 0.0000 0.0000 + 6ALA O 56 -1.086 -0.845 1.591 0.0000 0.0000 0.0000 + 7ALA N 57 -1.010 -0.753 1.786 0.0000 0.0000 0.0000 + 7ALA H 58 -0.966 -0.670 1.822 0.0000 0.0000 0.0000 + 7ALA CA 59 -1.036 -0.871 1.867 0.0000 0.0000 0.0000 + 7ALA HA 60 -1.011 -0.963 1.814 0.0000 0.0000 0.0000 + 7ALA CB 61 -0.938 -0.863 1.983 0.0000 0.0000 0.0000 + 7ALA HB1 62 -0.838 -0.858 1.940 0.0000 0.0000 0.0000 + 7ALA HB2 63 -0.940 -0.946 2.053 0.0000 0.0000 0.0000 + 7ALA HB3 64 -0.957 -0.770 2.037 0.0000 0.0000 0.0000 + 7ALA C 65 -1.181 -0.888 1.912 0.0000 0.0000 0.0000 + 7ALA O 66 -1.234 -0.998 1.911 0.0000 0.0000 0.0000 + 8ALA N 67 -1.240 -0.780 1.963 0.0000 0.0000 0.0000 + 8ALA H 68 -1.194 -0.690 1.964 0.0000 0.0000 0.0000 + 8ALA CA 69 -1.380 -0.784 2.000 0.0000 0.0000 0.0000 + 8ALA HA 70 -1.387 -0.862 2.075 0.0000 0.0000 0.0000 + 8ALA CB 71 -1.413 -0.651 2.067 0.0000 0.0000 0.0000 + 8ALA HB1 72 -1.343 -0.624 2.147 0.0000 0.0000 0.0000 + 8ALA HB2 73 -1.511 -0.651 2.116 0.0000 0.0000 0.0000 + 8ALA HB3 74 -1.412 -0.572 1.992 0.0000 0.0000 0.0000 + 8ALA C 75 -1.473 -0.825 1.886 0.0000 0.0000 0.0000 + 8ALA O 76 -1.577 -0.882 1.914 0.0000 0.0000 0.0000 + 9ALA N 77 -1.437 -0.792 1.762 0.0000 0.0000 0.0000 + 9ALA H 78 -1.370 -0.718 1.749 0.0000 0.0000 0.0000 + 9ALA CA 79 -1.513 -0.839 1.648 0.0000 0.0000 0.0000 + 9ALA HA 80 -1.616 -0.853 1.681 0.0000 0.0000 0.0000 + 9ALA CB 81 -1.517 -0.721 1.552 0.0000 0.0000 0.0000 + 9ALA HB1 82 -1.569 -0.646 1.612 0.0000 0.0000 0.0000 + 9ALA HB2 83 -1.573 -0.755 1.465 0.0000 0.0000 0.0000 + 9ALA HB3 84 -1.411 -0.704 1.530 0.0000 0.0000 0.0000 + 9ALA C 85 -1.453 -0.965 1.587 0.0000 0.0000 0.0000 + 9ALA O 86 -1.506 -1.026 1.494 0.0000 0.0000 0.0000 + 10ALA N 87 -1.339 -1.015 1.635 0.0000 0.0000 0.0000 + 10ALA H 88 -1.301 -0.983 1.723 0.0000 0.0000 0.0000 + 10ALA CA 89 -1.282 -1.141 1.592 0.0000 0.0000 0.0000 + 10ALA HA 90 -1.193 -1.143 1.655 0.0000 0.0000 0.0000 + 10ALA CB 91 -1.366 -1.258 1.641 0.0000 0.0000 0.0000 + 10ALA HB1 92 -1.454 -1.246 1.578 0.0000 0.0000 0.0000 + 10ALA HB2 93 -1.402 -1.248 1.744 0.0000 0.0000 0.0000 + 10ALA HB3 94 -1.313 -1.352 1.623 0.0000 0.0000 0.0000 + 10ALA C 95 -1.229 -1.154 1.450 0.0000 0.0000 0.0000 + 10ALA O 96 -1.240 -1.254 1.380 0.0000 0.0000 0.0000 + 11ALA N 97 -1.140 -1.059 1.420 0.0000 0.0000 0.0000 + 11ALA H 98 -1.131 -0.991 1.494 0.0000 0.0000 0.0000 + 11ALA CA 99 -1.053 -1.062 1.304 0.0000 0.0000 0.0000 + 11ALA HA 100 -1.091 -1.135 1.232 0.0000 0.0000 0.0000 + 11ALA CB 101 -1.050 -0.921 1.245 0.0000 0.0000 0.0000 + 11ALA HB1 102 -1.008 -0.932 1.145 0.0000 0.0000 0.0000 + 11ALA HB2 103 -0.986 -0.861 1.311 0.0000 0.0000 0.0000 + 11ALA HB3 104 -1.151 -0.886 1.226 0.0000 0.0000 0.0000 + 11ALA C 105 -0.911 -1.102 1.339 0.0000 0.0000 0.0000 + 11ALA O 106 -0.847 -1.180 1.269 0.0000 0.0000 0.0000 + 12ALA N 107 -0.855 -1.044 1.446 0.0000 0.0000 0.0000 + 12ALA H 108 -0.911 -0.977 1.497 0.0000 0.0000 0.0000 + 12ALA CA 109 -0.712 -1.052 1.469 0.0000 0.0000 0.0000 + 12ALA HA 110 -0.670 -1.144 1.428 0.0000 0.0000 0.0000 + 12ALA CB 111 -0.649 -0.931 1.402 0.0000 0.0000 0.0000 + 12ALA HB1 112 -0.541 -0.946 1.414 0.0000 0.0000 0.0000 + 12ALA HB2 113 -0.676 -0.836 1.448 0.0000 0.0000 0.0000 + 12ALA HB3 114 -0.679 -0.939 1.298 0.0000 0.0000 0.0000 + 12ALA C 115 -0.700 -1.049 1.621 0.0000 0.0000 0.0000 + 12ALA O 116 -0.692 -0.943 1.682 0.0000 0.0000 0.0000 + 13ALA N 117 -0.722 -1.163 1.688 0.0000 0.0000 0.0000 + 13ALA H 118 -0.725 -1.253 1.641 0.0000 0.0000 0.0000 + 13ALA CA 119 -0.732 -1.169 1.832 0.0000 0.0000 0.0000 + 13ALA HA 120 -0.830 -1.130 1.860 0.0000 0.0000 0.0000 + 13ALA CB 121 -0.735 -1.315 1.875 0.0000 0.0000 0.0000 + 13ALA HB1 122 -0.639 -1.364 1.857 0.0000 0.0000 0.0000 + 13ALA HB2 123 -0.826 -1.366 1.846 0.0000 0.0000 0.0000 + 13ALA HB3 124 -0.742 -1.320 1.984 0.0000 0.0000 0.0000 + 13ALA C 125 -0.631 -1.095 1.919 0.0000 0.0000 0.0000 + 13ALA O 126 -0.671 -1.037 2.019 0.0000 0.0000 0.0000 + 14NME N 127 -0.501 -1.107 1.889 0.0000 0.0000 0.0000 + 14NME H 128 -0.473 -1.155 1.805 0.0000 0.0000 0.0000 + 14NME CH3 129 -0.388 -1.051 1.961 0.0000 0.0000 0.0000 + 14NME HH31 130 -0.300 -1.105 1.927 0.0000 0.0000 0.0000 + 14NME HH32 131 -0.420 -1.061 2.064 0.0000 0.0000 0.0000 + 14NME HH33 132 -0.367 -0.946 1.937 0.0000 0.0000 0.0000 + 100.0000000 100.0000000 100.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 +Made with PLUMED t=0.400000 +132 + 1ACE HH31 1 -0.264 -1.191 1.743 0.0000 0.0000 0.0000 + 1ACE CH3 2 -0.363 -1.148 1.752 0.0000 0.0000 0.0000 + 1ACE HH32 3 -0.355 -1.057 1.693 0.0000 0.0000 0.0000 + 1ACE HH33 4 -0.426 -1.225 1.706 0.0000 0.0000 0.0000 + 1ACE C 5 -0.420 -1.129 1.892 0.0000 0.0000 0.0000 + 1ACE O 6 -0.459 -1.224 1.960 0.0000 0.0000 0.0000 + 2ALA N 7 -0.423 -1.003 1.934 0.0000 0.0000 0.0000 + 2ALA H 8 -0.418 -0.933 1.861 0.0000 0.0000 0.0000 + 2ALA CA 9 -0.438 -0.947 2.067 0.0000 0.0000 0.0000 + 2ALA HA 10 -0.469 -1.016 2.145 0.0000 0.0000 0.0000 + 2ALA CB 11 -0.299 -0.894 2.101 0.0000 0.0000 0.0000 + 2ALA HB1 12 -0.265 -0.824 2.025 0.0000 0.0000 0.0000 + 2ALA HB2 13 -0.226 -0.975 2.096 0.0000 0.0000 0.0000 + 2ALA HB3 14 -0.297 -0.838 2.194 0.0000 0.0000 0.0000 + 2ALA C 15 -0.540 -0.834 2.075 0.0000 0.0000 0.0000 + 2ALA O 16 -0.647 -0.851 2.133 0.0000 0.0000 0.0000 + 3ALA N 17 -0.510 -0.720 2.013 0.0000 0.0000 0.0000 + 3ALA H 18 -0.421 -0.712 1.964 0.0000 0.0000 0.0000 + 3ALA CA 19 -0.598 -0.605 2.008 0.0000 0.0000 0.0000 + 3ALA HA 20 -0.642 -0.600 2.108 0.0000 0.0000 0.0000 + 3ALA CB 21 -0.526 -0.476 1.972 0.0000 0.0000 0.0000 + 3ALA HB1 22 -0.597 -0.393 1.972 0.0000 0.0000 0.0000 + 3ALA HB2 23 -0.489 -0.493 1.871 0.0000 0.0000 0.0000 + 3ALA HB3 24 -0.439 -0.456 2.033 0.0000 0.0000 0.0000 + 3ALA C 25 -0.712 -0.632 1.911 0.0000 0.0000 0.0000 + 3ALA O 26 -0.706 -0.594 1.794 0.0000 0.0000 0.0000 + 4ALA N 27 -0.819 -0.682 1.974 0.0000 0.0000 0.0000 + 4ALA H 28 -0.817 -0.723 2.067 0.0000 0.0000 0.0000 + 4ALA CA 29 -0.952 -0.675 1.918 0.0000 0.0000 0.0000 + 4ALA HA 30 -0.962 -0.729 1.824 0.0000 0.0000 0.0000 + 4ALA CB 31 -1.050 -0.735 2.018 0.0000 0.0000 0.0000 + 4ALA HB1 32 -1.153 -0.734 1.982 0.0000 0.0000 0.0000 + 4ALA HB2 33 -1.065 -0.695 2.118 0.0000 0.0000 0.0000 + 4ALA HB3 34 -1.028 -0.842 2.023 0.0000 0.0000 0.0000 + 4ALA C 35 -0.996 -0.532 1.890 0.0000 0.0000 0.0000 + 4ALA O 36 -1.011 -0.446 1.977 0.0000 0.0000 0.0000 + 5ALA N 37 -1.007 -0.505 1.760 0.0000 0.0000 0.0000 + 5ALA H 38 -0.963 -0.562 1.689 0.0000 0.0000 0.0000 + 5ALA CA 39 -1.081 -0.392 1.708 0.0000 0.0000 0.0000 + 5ALA HA 40 -1.049 -0.311 1.772 0.0000 0.0000 0.0000 + 5ALA CB 41 -1.061 -0.357 1.561 0.0000 0.0000 0.0000 + 5ALA HB1 42 -1.068 -0.448 1.502 0.0000 0.0000 0.0000 + 5ALA HB2 43 -0.960 -0.321 1.541 0.0000 0.0000 0.0000 + 5ALA HB3 44 -1.118 -0.271 1.526 0.0000 0.0000 0.0000 + 5ALA C 45 -1.231 -0.405 1.734 0.0000 0.0000 0.0000 + 5ALA O 46 -1.309 -0.441 1.646 0.0000 0.0000 0.0000 + 6ALA N 47 -1.271 -0.394 1.861 0.0000 0.0000 0.0000 + 6ALA H 48 -1.196 -0.374 1.925 0.0000 0.0000 0.0000 + 6ALA CA 49 -1.399 -0.433 1.917 0.0000 0.0000 0.0000 + 6ALA HA 50 -1.384 -0.409 2.022 0.0000 0.0000 0.0000 + 6ALA CB 51 -1.509 -0.340 1.865 0.0000 0.0000 0.0000 + 6ALA HB1 52 -1.534 -0.364 1.762 0.0000 0.0000 0.0000 + 6ALA HB2 53 -1.484 -0.234 1.868 0.0000 0.0000 0.0000 + 6ALA HB3 54 -1.599 -0.347 1.927 0.0000 0.0000 0.0000 + 6ALA C 55 -1.444 -0.577 1.903 0.0000 0.0000 0.0000 + 6ALA O 56 -1.450 -0.648 2.004 0.0000 0.0000 0.0000 + 7ALA N 57 -1.472 -0.619 1.779 0.0000 0.0000 0.0000 + 7ALA H 58 -1.463 -0.537 1.720 0.0000 0.0000 0.0000 + 7ALA CA 59 -1.507 -0.751 1.733 0.0000 0.0000 0.0000 + 7ALA HA 60 -1.615 -0.762 1.744 0.0000 0.0000 0.0000 + 7ALA CB 61 -1.476 -0.741 1.584 0.0000 0.0000 0.0000 + 7ALA HB1 62 -1.494 -0.825 1.517 0.0000 0.0000 0.0000 + 7ALA HB2 63 -1.375 -0.710 1.558 0.0000 0.0000 0.0000 + 7ALA HB3 64 -1.546 -0.665 1.550 0.0000 0.0000 0.0000 + 7ALA C 65 -1.450 -0.867 1.814 0.0000 0.0000 0.0000 + 7ALA O 66 -1.347 -0.920 1.774 0.0000 0.0000 0.0000 + 8ALA N 67 -1.518 -0.918 1.917 0.0000 0.0000 0.0000 + 8ALA H 68 -1.599 -0.864 1.943 0.0000 0.0000 0.0000 + 8ALA CA 69 -1.465 -0.998 2.026 0.0000 0.0000 0.0000 + 8ALA HA 70 -1.397 -0.928 2.073 0.0000 0.0000 0.0000 + 8ALA CB 71 -1.577 -1.034 2.123 0.0000 0.0000 0.0000 + 8ALA HB1 72 -1.602 -0.940 2.173 0.0000 0.0000 0.0000 + 8ALA HB2 73 -1.543 -1.094 2.207 0.0000 0.0000 0.0000 + 8ALA HB3 74 -1.659 -1.081 2.070 0.0000 0.0000 0.0000 + 8ALA C 75 -1.393 -1.125 1.982 0.0000 0.0000 0.0000 + 8ALA O 76 -1.460 -1.219 1.938 0.0000 0.0000 0.0000 + 9ALA N 77 -1.260 -1.129 1.988 0.0000 0.0000 0.0000 + 9ALA H 78 -1.210 -1.047 2.021 0.0000 0.0000 0.0000 + 9ALA CA 79 -1.170 -1.219 1.919 0.0000 0.0000 0.0000 + 9ALA HA 80 -1.073 -1.182 1.952 0.0000 0.0000 0.0000 + 9ALA CB 81 -1.182 -1.357 1.984 0.0000 0.0000 0.0000 + 9ALA HB1 82 -1.102 -1.421 1.945 0.0000 0.0000 0.0000 + 9ALA HB2 83 -1.281 -1.403 1.977 0.0000 0.0000 0.0000 + 9ALA HB3 84 -1.173 -1.361 2.092 0.0000 0.0000 0.0000 + 9ALA C 85 -1.171 -1.224 1.767 0.0000 0.0000 0.0000 + 9ALA O 86 -1.065 -1.224 1.704 0.0000 0.0000 0.0000 + 10ALA N 87 -1.285 -1.196 1.704 0.0000 0.0000 0.0000 + 10ALA H 88 -1.366 -1.201 1.764 0.0000 0.0000 0.0000 + 10ALA CA 89 -1.303 -1.179 1.561 0.0000 0.0000 0.0000 + 10ALA HA 90 -1.288 -1.275 1.511 0.0000 0.0000 0.0000 + 10ALA CB 91 -1.447 -1.135 1.536 0.0000 0.0000 0.0000 + 10ALA HB1 92 -1.447 -1.086 1.438 0.0000 0.0000 0.0000 + 10ALA HB2 93 -1.475 -1.067 1.616 0.0000 0.0000 0.0000 + 10ALA HB3 94 -1.520 -1.216 1.528 0.0000 0.0000 0.0000 + 10ALA C 95 -1.208 -1.089 1.483 0.0000 0.0000 0.0000 + 10ALA O 96 -1.179 -1.108 1.365 0.0000 0.0000 0.0000 + 11ALA N 97 -1.153 -0.986 1.548 0.0000 0.0000 0.0000 + 11ALA H 98 -1.171 -0.973 1.646 0.0000 0.0000 0.0000 + 11ALA CA 99 -1.054 -0.899 1.488 0.0000 0.0000 0.0000 + 11ALA HA 100 -1.004 -0.959 1.411 0.0000 0.0000 0.0000 + 11ALA CB 101 -1.121 -0.778 1.423 0.0000 0.0000 0.0000 + 11ALA HB1 102 -1.216 -0.812 1.383 0.0000 0.0000 0.0000 + 11ALA HB2 103 -1.061 -0.728 1.347 0.0000 0.0000 0.0000 + 11ALA HB3 104 -1.131 -0.699 1.496 0.0000 0.0000 0.0000 + 11ALA C 105 -0.939 -0.871 1.583 0.0000 0.0000 0.0000 + 11ALA O 106 -0.890 -0.758 1.581 0.0000 0.0000 0.0000 + 12ALA N 107 -0.894 -0.966 1.666 0.0000 0.0000 0.0000 + 12ALA H 108 -0.936 -1.056 1.650 0.0000 0.0000 0.0000 + 12ALA CA 109 -0.769 -0.970 1.738 0.0000 0.0000 0.0000 + 12ALA HA 110 -0.775 -0.894 1.816 0.0000 0.0000 0.0000 + 12ALA CB 111 -0.754 -1.103 1.812 0.0000 0.0000 0.0000 + 12ALA HB1 112 -0.851 -1.136 1.847 0.0000 0.0000 0.0000 + 12ALA HB2 113 -0.694 -1.076 1.899 0.0000 0.0000 0.0000 + 12ALA HB3 114 -0.701 -1.177 1.751 0.0000 0.0000 0.0000 + 12ALA C 115 -0.650 -0.940 1.648 0.0000 0.0000 0.0000 + 12ALA O 116 -0.608 -1.035 1.582 0.0000 0.0000 0.0000 + 13ALA N 117 -0.606 -0.814 1.647 0.0000 0.0000 0.0000 + 13ALA H 118 -0.653 -0.744 1.701 0.0000 0.0000 0.0000 + 13ALA CA 119 -0.519 -0.761 1.544 0.0000 0.0000 0.0000 + 13ALA HA 120 -0.494 -0.840 1.473 0.0000 0.0000 0.0000 + 13ALA CB 121 -0.587 -0.650 1.464 0.0000 0.0000 0.0000 + 13ALA HB1 122 -0.660 -0.699 1.400 0.0000 0.0000 0.0000 + 13ALA HB2 123 -0.518 -0.591 1.403 0.0000 0.0000 0.0000 + 13ALA HB3 124 -0.622 -0.589 1.548 0.0000 0.0000 0.0000 + 13ALA C 125 -0.383 -0.725 1.603 0.0000 0.0000 0.0000 + 13ALA O 126 -0.364 -0.748 1.722 0.0000 0.0000 0.0000 + 14NME N 127 -0.285 -0.688 1.519 0.0000 0.0000 0.0000 + 14NME H 128 -0.298 -0.673 1.420 0.0000 0.0000 0.0000 + 14NME CH3 129 -0.157 -0.652 1.575 0.0000 0.0000 0.0000 + 14NME HH31 130 -0.121 -0.717 1.655 0.0000 0.0000 0.0000 + 14NME HH32 131 -0.163 -0.554 1.623 0.0000 0.0000 0.0000 + 14NME HH33 132 -0.080 -0.648 1.497 0.0000 0.0000 0.0000 + 100.0000000 100.0000000 100.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 +Made with PLUMED t=0.450000 +132 + 1ACE HH31 1 -0.627 -0.539 2.184 0.0000 0.0000 0.0000 + 1ACE CH3 2 -0.697 -0.622 2.183 0.0000 0.0000 0.0000 + 1ACE HH32 3 -0.703 -0.663 2.082 0.0000 0.0000 0.0000 + 1ACE HH33 4 -0.667 -0.704 2.248 0.0000 0.0000 0.0000 + 1ACE C 5 -0.839 -0.578 2.218 0.0000 0.0000 0.0000 + 1ACE O 6 -0.873 -0.463 2.192 0.0000 0.0000 0.0000 + 2ALA N 7 -0.917 -0.667 2.278 0.0000 0.0000 0.0000 + 2ALA H 8 -0.887 -0.763 2.283 0.0000 0.0000 0.0000 + 2ALA CA 9 -1.050 -0.633 2.327 0.0000 0.0000 0.0000 + 2ALA HA 10 -1.104 -0.587 2.244 0.0000 0.0000 0.0000 + 2ALA CB 11 -1.127 -0.757 2.368 0.0000 0.0000 0.0000 + 2ALA HB1 12 -1.087 -0.842 2.312 0.0000 0.0000 0.0000 + 2ALA HB2 13 -1.231 -0.746 2.336 0.0000 0.0000 0.0000 + 2ALA HB3 14 -1.120 -0.778 2.475 0.0000 0.0000 0.0000 + 2ALA C 15 -1.044 -0.528 2.438 0.0000 0.0000 0.0000 + 2ALA O 16 -1.132 -0.442 2.447 0.0000 0.0000 0.0000 + 3ALA N 17 -0.961 -0.540 2.541 0.0000 0.0000 0.0000 + 3ALA H 18 -0.911 -0.627 2.535 0.0000 0.0000 0.0000 + 3ALA CA 19 -0.953 -0.447 2.652 0.0000 0.0000 0.0000 + 3ALA HA 20 -1.049 -0.403 2.681 0.0000 0.0000 0.0000 + 3ALA CB 21 -0.908 -0.527 2.773 0.0000 0.0000 0.0000 + 3ALA HB1 22 -0.820 -0.589 2.755 0.0000 0.0000 0.0000 + 3ALA HB2 23 -0.992 -0.586 2.809 0.0000 0.0000 0.0000 + 3ALA HB3 24 -0.884 -0.462 2.857 0.0000 0.0000 0.0000 + 3ALA C 25 -0.865 -0.329 2.615 0.0000 0.0000 0.0000 + 3ALA O 26 -0.757 -0.304 2.668 0.0000 0.0000 0.0000 + 4ALA N 27 -0.910 -0.268 2.505 0.0000 0.0000 0.0000 + 4ALA H 28 -0.999 -0.300 2.469 0.0000 0.0000 0.0000 + 4ALA CA 29 -0.840 -0.168 2.427 0.0000 0.0000 0.0000 + 4ALA HA 30 -0.814 -0.084 2.493 0.0000 0.0000 0.0000 + 4ALA CB 31 -0.707 -0.222 2.375 0.0000 0.0000 0.0000 + 4ALA HB1 32 -0.728 -0.319 2.329 0.0000 0.0000 0.0000 + 4ALA HB2 33 -0.628 -0.238 2.450 0.0000 0.0000 0.0000 + 4ALA HB3 34 -0.662 -0.151 2.306 0.0000 0.0000 0.0000 + 4ALA C 35 -0.937 -0.113 2.324 0.0000 0.0000 0.0000 + 4ALA O 36 -0.993 -0.006 2.346 0.0000 0.0000 0.0000 + 5ALA N 37 -0.962 -0.189 2.216 0.0000 0.0000 0.0000 + 5ALA H 38 -0.930 -0.285 2.220 0.0000 0.0000 0.0000 + 5ALA CA 39 -1.035 -0.150 2.098 0.0000 0.0000 0.0000 + 5ALA HA 40 -1.102 -0.069 2.130 0.0000 0.0000 0.0000 + 5ALA CB 41 -0.929 -0.102 2.000 0.0000 0.0000 0.0000 + 5ALA HB1 42 -0.883 -0.189 1.953 0.0000 0.0000 0.0000 + 5ALA HB2 43 -0.862 -0.029 2.045 0.0000 0.0000 0.0000 + 5ALA HB3 44 -0.970 -0.050 1.913 0.0000 0.0000 0.0000 + 5ALA C 45 -1.134 -0.257 2.056 0.0000 0.0000 0.0000 + 5ALA O 46 -1.254 -0.235 2.074 0.0000 0.0000 0.0000 + 6ALA N 47 -1.089 -0.376 2.014 0.0000 0.0000 0.0000 + 6ALA H 48 -0.991 -0.396 2.002 0.0000 0.0000 0.0000 + 6ALA CA 49 -1.173 -0.487 1.976 0.0000 0.0000 0.0000 + 6ALA HA 50 -1.248 -0.512 2.052 0.0000 0.0000 0.0000 + 6ALA CB 51 -1.250 -0.449 1.850 0.0000 0.0000 0.0000 + 6ALA HB1 52 -1.304 -0.355 1.864 0.0000 0.0000 0.0000 + 6ALA HB2 53 -1.320 -0.525 1.815 0.0000 0.0000 0.0000 + 6ALA HB3 54 -1.178 -0.433 1.770 0.0000 0.0000 0.0000 + 6ALA C 55 -1.086 -0.606 1.937 0.0000 0.0000 0.0000 + 6ALA O 56 -0.966 -0.591 1.912 0.0000 0.0000 0.0000 + 7ALA N 57 -1.148 -0.724 1.938 0.0000 0.0000 0.0000 + 7ALA H 58 -1.247 -0.722 1.956 0.0000 0.0000 0.0000 + 7ALA CA 59 -1.090 -0.847 1.890 0.0000 0.0000 0.0000 + 7ALA HA 60 -0.989 -0.858 1.929 0.0000 0.0000 0.0000 + 7ALA CB 61 -1.172 -0.961 1.949 0.0000 0.0000 0.0000 + 7ALA HB1 62 -1.276 -0.944 1.920 0.0000 0.0000 0.0000 + 7ALA HB2 63 -1.171 -0.956 2.058 0.0000 0.0000 0.0000 + 7ALA HB3 64 -1.145 -1.063 1.924 0.0000 0.0000 0.0000 + 7ALA C 65 -1.083 -0.847 1.738 0.0000 0.0000 0.0000 + 7ALA O 66 -1.135 -0.940 1.677 0.0000 0.0000 0.0000 + 8ALA N 67 -1.010 -0.758 1.671 0.0000 0.0000 0.0000 + 8ALA H 68 -0.974 -0.684 1.730 0.0000 0.0000 0.0000 + 8ALA CA 69 -1.019 -0.731 1.529 0.0000 0.0000 0.0000 + 8ALA HA 70 -1.123 -0.705 1.505 0.0000 0.0000 0.0000 + 8ALA CB 71 -0.948 -0.600 1.496 0.0000 0.0000 0.0000 + 8ALA HB1 72 -0.842 -0.596 1.522 0.0000 0.0000 0.0000 + 8ALA HB2 73 -1.007 -0.528 1.554 0.0000 0.0000 0.0000 + 8ALA HB3 74 -0.962 -0.583 1.389 0.0000 0.0000 0.0000 + 8ALA C 75 -0.969 -0.841 1.437 0.0000 0.0000 0.0000 + 8ALA O 76 -1.044 -0.913 1.371 0.0000 0.0000 0.0000 + 9ALA N 77 -0.838 -0.863 1.430 0.0000 0.0000 0.0000 + 9ALA H 78 -0.764 -0.814 1.478 0.0000 0.0000 0.0000 + 9ALA CA 79 -0.778 -0.982 1.373 0.0000 0.0000 0.0000 + 9ALA HA 80 -0.796 -0.972 1.266 0.0000 0.0000 0.0000 + 9ALA CB 81 -0.627 -0.969 1.391 0.0000 0.0000 0.0000 + 9ALA HB1 82 -0.566 -1.052 1.356 0.0000 0.0000 0.0000 + 9ALA HB2 83 -0.601 -0.956 1.496 0.0000 0.0000 0.0000 + 9ALA HB3 84 -0.586 -0.887 1.331 0.0000 0.0000 0.0000 + 9ALA C 85 -0.836 -1.113 1.424 0.0000 0.0000 0.0000 + 9ALA O 86 -0.850 -1.206 1.345 0.0000 0.0000 0.0000 + 10ALA N 87 -0.868 -1.127 1.553 0.0000 0.0000 0.0000 + 10ALA H 88 -0.848 -1.054 1.620 0.0000 0.0000 0.0000 + 10ALA CA 89 -0.911 -1.254 1.608 0.0000 0.0000 0.0000 + 10ALA HA 90 -0.832 -1.327 1.593 0.0000 0.0000 0.0000 + 10ALA CB 91 -0.923 -1.243 1.760 0.0000 0.0000 0.0000 + 10ALA HB1 92 -0.966 -1.335 1.800 0.0000 0.0000 0.0000 + 10ALA HB2 93 -1.004 -1.174 1.781 0.0000 0.0000 0.0000 + 10ALA HB3 94 -0.830 -1.201 1.798 0.0000 0.0000 0.0000 + 10ALA C 95 -1.043 -1.306 1.551 0.0000 0.0000 0.0000 + 10ALA O 96 -1.060 -1.417 1.503 0.0000 0.0000 0.0000 + 11ALA N 97 -1.141 -1.216 1.543 0.0000 0.0000 0.0000 + 11ALA H 98 -1.133 -1.128 1.591 0.0000 0.0000 0.0000 + 11ALA CA 99 -1.274 -1.240 1.490 0.0000 0.0000 0.0000 + 11ALA HA 100 -1.314 -1.331 1.535 0.0000 0.0000 0.0000 + 11ALA CB 101 -1.360 -1.124 1.538 0.0000 0.0000 0.0000 + 11ALA HB1 102 -1.343 -1.111 1.645 0.0000 0.0000 0.0000 + 11ALA HB2 103 -1.462 -1.157 1.519 0.0000 0.0000 0.0000 + 11ALA HB3 104 -1.348 -1.037 1.473 0.0000 0.0000 0.0000 + 11ALA C 105 -1.275 -1.250 1.338 0.0000 0.0000 0.0000 + 11ALA O 106 -1.351 -1.326 1.280 0.0000 0.0000 0.0000 + 12ALA N 107 -1.192 -1.171 1.269 0.0000 0.0000 0.0000 + 12ALA H 108 -1.124 -1.108 1.308 0.0000 0.0000 0.0000 + 12ALA CA 109 -1.151 -1.198 1.133 0.0000 0.0000 0.0000 + 12ALA HA 110 -1.237 -1.176 1.069 0.0000 0.0000 0.0000 + 12ALA CB 111 -1.042 -1.102 1.088 0.0000 0.0000 0.0000 + 12ALA HB1 112 -1.034 -1.111 0.980 0.0000 0.0000 0.0000 + 12ALA HB2 113 -0.944 -1.136 1.123 0.0000 0.0000 0.0000 + 12ALA HB3 114 -1.072 -1.001 1.115 0.0000 0.0000 0.0000 + 12ALA C 115 -1.089 -1.333 1.098 0.0000 0.0000 0.0000 + 12ALA O 116 -1.135 -1.398 1.004 0.0000 0.0000 0.0000 + 13ALA N 117 -0.990 -1.387 1.168 0.0000 0.0000 0.0000 + 13ALA H 118 -0.941 -1.320 1.226 0.0000 0.0000 0.0000 + 13ALA CA 119 -0.942 -1.522 1.146 0.0000 0.0000 0.0000 + 13ALA HA 120 -0.918 -1.533 1.040 0.0000 0.0000 0.0000 + 13ALA CB 121 -0.812 -1.532 1.225 0.0000 0.0000 0.0000 + 13ALA HB1 122 -0.740 -1.455 1.198 0.0000 0.0000 0.0000 + 13ALA HB2 123 -0.764 -1.629 1.208 0.0000 0.0000 0.0000 + 13ALA HB3 124 -0.826 -1.516 1.332 0.0000 0.0000 0.0000 + 13ALA C 125 -1.047 -1.624 1.186 0.0000 0.0000 0.0000 + 13ALA O 126 -1.077 -1.720 1.116 0.0000 0.0000 0.0000 + 14NME N 127 -1.089 -1.616 1.313 0.0000 0.0000 0.0000 + 14NME H 128 -1.057 -1.534 1.363 0.0000 0.0000 0.0000 + 14NME CH3 129 -1.157 -1.721 1.385 0.0000 0.0000 0.0000 + 14NME HH31 130 -1.195 -1.794 1.313 0.0000 0.0000 0.0000 + 14NME HH32 131 -1.245 -1.672 1.427 0.0000 0.0000 0.0000 + 14NME HH33 132 -1.087 -1.766 1.455 0.0000 0.0000 0.0000 + 100.0000000 100.0000000 100.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 +Made with PLUMED t=0.500000 +132 + 1ACE HH31 1 -0.290 -0.494 2.251 0.0000 0.0000 0.0000 + 1ACE CH3 2 -0.355 -0.422 2.301 0.0000 0.0000 0.0000 + 1ACE HH32 3 -0.313 -0.370 2.388 0.0000 0.0000 0.0000 + 1ACE HH33 4 -0.385 -0.347 2.228 0.0000 0.0000 0.0000 + 1ACE C 5 -0.469 -0.506 2.357 0.0000 0.0000 0.0000 + 1ACE O 6 -0.440 -0.613 2.410 0.0000 0.0000 0.0000 + 2ALA N 7 -0.590 -0.450 2.362 0.0000 0.0000 0.0000 + 2ALA H 8 -0.606 -0.366 2.308 0.0000 0.0000 0.0000 + 2ALA CA 9 -0.702 -0.497 2.441 0.0000 0.0000 0.0000 + 2ALA HA 10 -0.698 -0.606 2.436 0.0000 0.0000 0.0000 + 2ALA CB 11 -0.676 -0.464 2.587 0.0000 0.0000 0.0000 + 2ALA HB1 12 -0.574 -0.491 2.615 0.0000 0.0000 0.0000 + 2ALA HB2 13 -0.735 -0.534 2.646 0.0000 0.0000 0.0000 + 2ALA HB3 14 -0.691 -0.359 2.611 0.0000 0.0000 0.0000 + 2ALA C 15 -0.836 -0.444 2.391 0.0000 0.0000 0.0000 + 2ALA O 16 -0.848 -0.410 2.274 0.0000 0.0000 0.0000 + 3ALA N 17 -0.932 -0.437 2.484 0.0000 0.0000 0.0000 + 3ALA H 18 -0.917 -0.470 2.578 0.0000 0.0000 0.0000 + 3ALA CA 19 -1.065 -0.382 2.469 0.0000 0.0000 0.0000 + 3ALA HA 20 -1.122 -0.432 2.548 0.0000 0.0000 0.0000 + 3ALA CB 21 -1.060 -0.232 2.494 0.0000 0.0000 0.0000 + 3ALA HB1 22 -1.162 -0.196 2.482 0.0000 0.0000 0.0000 + 3ALA HB2 23 -0.993 -0.182 2.424 0.0000 0.0000 0.0000 + 3ALA HB3 24 -1.022 -0.211 2.594 0.0000 0.0000 0.0000 + 3ALA C 25 -1.127 -0.433 2.340 0.0000 0.0000 0.0000 + 3ALA O 26 -1.146 -0.552 2.312 0.0000 0.0000 0.0000 + 4ALA N 27 -1.158 -0.338 2.252 0.0000 0.0000 0.0000 + 4ALA H 28 -1.147 -0.244 2.286 0.0000 0.0000 0.0000 + 4ALA CA 29 -1.211 -0.361 2.119 0.0000 0.0000 0.0000 + 4ALA HA 30 -1.300 -0.423 2.134 0.0000 0.0000 0.0000 + 4ALA CB 31 -1.235 -0.222 2.061 0.0000 0.0000 0.0000 + 4ALA HB1 32 -1.280 -0.244 1.964 0.0000 0.0000 0.0000 + 4ALA HB2 33 -1.145 -0.163 2.047 0.0000 0.0000 0.0000 + 4ALA HB3 34 -1.296 -0.158 2.125 0.0000 0.0000 0.0000 + 4ALA C 35 -1.110 -0.423 2.024 0.0000 0.0000 0.0000 + 4ALA O 36 -1.145 -0.498 1.934 0.0000 0.0000 0.0000 + 5ALA N 37 -0.983 -0.382 2.032 0.0000 0.0000 0.0000 + 5ALA H 38 -0.950 -0.331 2.113 0.0000 0.0000 0.0000 + 5ALA CA 39 -0.882 -0.420 1.936 0.0000 0.0000 0.0000 + 5ALA HA 40 -0.920 -0.386 1.839 0.0000 0.0000 0.0000 + 5ALA CB 41 -0.754 -0.337 1.947 0.0000 0.0000 0.0000 + 5ALA HB1 42 -0.683 -0.363 1.870 0.0000 0.0000 0.0000 + 5ALA HB2 43 -0.709 -0.347 2.046 0.0000 0.0000 0.0000 + 5ALA HB3 44 -0.769 -0.233 1.920 0.0000 0.0000 0.0000 + 5ALA C 45 -0.864 -0.571 1.932 0.0000 0.0000 0.0000 + 5ALA O 46 -0.876 -0.627 1.823 0.0000 0.0000 0.0000 + 6ALA N 47 -0.850 -0.633 2.049 0.0000 0.0000 0.0000 + 6ALA H 48 -0.846 -0.575 2.131 0.0000 0.0000 0.0000 + 6ALA CA 49 -0.850 -0.776 2.075 0.0000 0.0000 0.0000 + 6ALA HA 50 -0.760 -0.826 2.042 0.0000 0.0000 0.0000 + 6ALA CB 51 -0.850 -0.802 2.226 0.0000 0.0000 0.0000 + 6ALA HB1 52 -0.842 -0.910 2.228 0.0000 0.0000 0.0000 + 6ALA HB2 53 -0.941 -0.767 2.275 0.0000 0.0000 0.0000 + 6ALA HB3 54 -0.764 -0.754 2.273 0.0000 0.0000 0.0000 + 6ALA C 55 -0.964 -0.843 2.000 0.0000 0.0000 0.0000 + 6ALA O 56 -0.944 -0.930 1.916 0.0000 0.0000 0.0000 + 7ALA N 57 -1.088 -0.802 2.030 0.0000 0.0000 0.0000 + 7ALA H 58 -1.093 -0.725 2.095 0.0000 0.0000 0.0000 + 7ALA CA 59 -1.213 -0.849 1.974 0.0000 0.0000 0.0000 + 7ALA HA 60 -1.210 -0.954 2.001 0.0000 0.0000 0.0000 + 7ALA CB 61 -1.329 -0.776 2.043 0.0000 0.0000 0.0000 + 7ALA HB1 62 -1.355 -0.817 2.140 0.0000 0.0000 0.0000 + 7ALA HB2 63 -1.418 -0.796 1.984 0.0000 0.0000 0.0000 + 7ALA HB3 64 -1.313 -0.668 2.048 0.0000 0.0000 0.0000 + 7ALA C 65 -1.218 -0.840 1.822 0.0000 0.0000 0.0000 + 7ALA O 66 -1.255 -0.938 1.758 0.0000 0.0000 0.0000 + 8ALA N 67 -1.183 -0.726 1.763 0.0000 0.0000 0.0000 + 8ALA H 68 -1.163 -0.647 1.823 0.0000 0.0000 0.0000 + 8ALA CA 69 -1.158 -0.714 1.621 0.0000 0.0000 0.0000 + 8ALA HA 70 -1.252 -0.747 1.577 0.0000 0.0000 0.0000 + 8ALA CB 71 -1.119 -0.568 1.598 0.0000 0.0000 0.0000 + 8ALA HB1 72 -1.122 -0.549 1.490 0.0000 0.0000 0.0000 + 8ALA HB2 73 -1.020 -0.546 1.639 0.0000 0.0000 0.0000 + 8ALA HB3 74 -1.188 -0.500 1.647 0.0000 0.0000 0.0000 + 8ALA C 75 -1.052 -0.813 1.574 0.0000 0.0000 0.0000 + 8ALA O 76 -1.070 -0.882 1.474 0.0000 0.0000 0.0000 + 9ALA N 77 -0.942 -0.827 1.648 0.0000 0.0000 0.0000 + 9ALA H 78 -0.933 -0.764 1.727 0.0000 0.0000 0.0000 + 9ALA CA 79 -0.834 -0.918 1.615 0.0000 0.0000 0.0000 + 9ALA HA 80 -0.797 -0.897 1.515 0.0000 0.0000 0.0000 + 9ALA CB 81 -0.709 -0.901 1.701 0.0000 0.0000 0.0000 + 9ALA HB1 82 -0.627 -0.946 1.645 0.0000 0.0000 0.0000 + 9ALA HB2 83 -0.727 -0.940 1.801 0.0000 0.0000 0.0000 + 9ALA HB3 84 -0.688 -0.795 1.712 0.0000 0.0000 0.0000 + 9ALA C 85 -0.886 -1.060 1.609 0.0000 0.0000 0.0000 + 9ALA O 86 -0.863 -1.131 1.511 0.0000 0.0000 0.0000 + 10ALA N 87 -0.961 -1.104 1.711 0.0000 0.0000 0.0000 + 10ALA H 88 -0.973 -1.050 1.796 0.0000 0.0000 0.0000 + 10ALA CA 89 -1.024 -1.234 1.704 0.0000 0.0000 0.0000 + 10ALA HA 90 -0.947 -1.309 1.687 0.0000 0.0000 0.0000 + 10ALA CB 91 -1.087 -1.278 1.836 0.0000 0.0000 0.0000 + 10ALA HB1 92 -1.013 -1.289 1.916 0.0000 0.0000 0.0000 + 10ALA HB2 93 -1.133 -1.376 1.830 0.0000 0.0000 0.0000 + 10ALA HB3 94 -1.168 -1.207 1.854 0.0000 0.0000 0.0000 + 10ALA C 95 -1.125 -1.242 1.590 0.0000 0.0000 0.0000 + 10ALA O 96 -1.131 -1.338 1.514 0.0000 0.0000 0.0000 + 11ALA N 97 -1.208 -1.140 1.564 0.0000 0.0000 0.0000 + 11ALA H 98 -1.203 -1.058 1.622 0.0000 0.0000 0.0000 + 11ALA CA 99 -1.324 -1.157 1.479 0.0000 0.0000 0.0000 + 11ALA HA 100 -1.383 -1.244 1.509 0.0000 0.0000 0.0000 + 11ALA CB 101 -1.415 -1.036 1.496 0.0000 0.0000 0.0000 + 11ALA HB1 102 -1.467 -1.042 1.592 0.0000 0.0000 0.0000 + 11ALA HB2 103 -1.496 -1.050 1.425 0.0000 0.0000 0.0000 + 11ALA HB3 104 -1.367 -0.938 1.490 0.0000 0.0000 0.0000 + 11ALA C 105 -1.286 -1.171 1.333 0.0000 0.0000 0.0000 + 11ALA O 106 -1.326 -1.259 1.257 0.0000 0.0000 0.0000 + 12ALA N 107 -1.199 -1.081 1.286 0.0000 0.0000 0.0000 + 12ALA H 108 -1.149 -1.022 1.351 0.0000 0.0000 0.0000 + 12ALA CA 109 -1.153 -1.065 1.150 0.0000 0.0000 0.0000 + 12ALA HA 110 -1.233 -1.086 1.079 0.0000 0.0000 0.0000 + 12ALA CB 111 -1.104 -0.923 1.125 0.0000 0.0000 0.0000 + 12ALA HB1 112 -1.047 -0.921 1.032 0.0000 0.0000 0.0000 + 12ALA HB2 113 -1.038 -0.877 1.198 0.0000 0.0000 0.0000 + 12ALA HB3 114 -1.187 -0.853 1.109 0.0000 0.0000 0.0000 + 12ALA C 115 -1.040 -1.161 1.113 0.0000 0.0000 0.0000 + 12ALA O 116 -1.029 -1.196 0.996 0.0000 0.0000 0.0000 + 13ALA N 117 -0.956 -1.194 1.212 0.0000 0.0000 0.0000 + 13ALA H 118 -0.980 -1.150 1.300 0.0000 0.0000 0.0000 + 13ALA CA 119 -0.841 -1.280 1.191 0.0000 0.0000 0.0000 + 13ALA HA 120 -0.843 -1.324 1.091 0.0000 0.0000 0.0000 + 13ALA CB 121 -0.718 -1.192 1.206 0.0000 0.0000 0.0000 + 13ALA HB1 122 -0.635 -1.263 1.215 0.0000 0.0000 0.0000 + 13ALA HB2 123 -0.722 -1.147 1.305 0.0000 0.0000 0.0000 + 13ALA HB3 124 -0.686 -1.121 1.129 0.0000 0.0000 0.0000 + 13ALA C 125 -0.844 -1.407 1.275 0.0000 0.0000 0.0000 + 13ALA O 126 -0.860 -1.513 1.217 0.0000 0.0000 0.0000 + 14NME N 127 -0.829 -1.400 1.408 0.0000 0.0000 0.0000 + 14NME H 128 -0.832 -1.305 1.443 0.0000 0.0000 0.0000 + 14NME CH3 129 -0.834 -1.514 1.497 0.0000 0.0000 0.0000 + 14NME HH31 130 -0.938 -1.534 1.525 0.0000 0.0000 0.0000 + 14NME HH32 131 -0.772 -1.496 1.584 0.0000 0.0000 0.0000 + 14NME HH33 132 -0.806 -1.608 1.448 0.0000 0.0000 0.0000 + 100.0000000 100.0000000 100.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 +Made with PLUMED t=0.550000 +132 + 1ACE HH31 1 0.072 -1.016 1.887 0.0000 0.0000 0.0000 + 1ACE CH3 2 0.034 -0.916 1.912 0.0000 0.0000 0.0000 + 1ACE HH32 3 0.047 -0.887 2.016 0.0000 0.0000 0.0000 + 1ACE HH33 4 0.076 -0.831 1.859 0.0000 0.0000 0.0000 + 1ACE C 5 -0.114 -0.927 1.879 0.0000 0.0000 0.0000 + 1ACE O 6 -0.153 -0.971 1.772 0.0000 0.0000 0.0000 + 2ALA N 7 -0.207 -0.887 1.966 0.0000 0.0000 0.0000 + 2ALA H 8 -0.174 -0.848 2.054 0.0000 0.0000 0.0000 + 2ALA CA 9 -0.351 -0.899 1.962 0.0000 0.0000 0.0000 + 2ALA HA 10 -0.386 -0.927 1.862 0.0000 0.0000 0.0000 + 2ALA CB 11 -0.404 -0.998 2.065 0.0000 0.0000 0.0000 + 2ALA HB1 12 -0.513 -0.997 2.071 0.0000 0.0000 0.0000 + 2ALA HB2 13 -0.369 -0.963 2.162 0.0000 0.0000 0.0000 + 2ALA HB3 14 -0.383 -1.102 2.041 0.0000 0.0000 0.0000 + 2ALA C 15 -0.415 -0.763 1.989 0.0000 0.0000 0.0000 + 2ALA O 16 -0.426 -0.721 2.104 0.0000 0.0000 0.0000 + 3ALA N 17 -0.457 -0.692 1.884 0.0000 0.0000 0.0000 + 3ALA H 18 -0.441 -0.729 1.791 0.0000 0.0000 0.0000 + 3ALA CA 19 -0.533 -0.571 1.902 0.0000 0.0000 0.0000 + 3ALA HA 20 -0.500 -0.510 1.986 0.0000 0.0000 0.0000 + 3ALA CB 21 -0.523 -0.472 1.786 0.0000 0.0000 0.0000 + 3ALA HB1 22 -0.419 -0.451 1.763 0.0000 0.0000 0.0000 + 3ALA HB2 23 -0.578 -0.381 1.811 0.0000 0.0000 0.0000 + 3ALA HB3 24 -0.562 -0.527 1.700 0.0000 0.0000 0.0000 + 3ALA C 25 -0.679 -0.610 1.923 0.0000 0.0000 0.0000 + 3ALA O 26 -0.738 -0.682 1.843 0.0000 0.0000 0.0000 + 4ALA N 27 -0.739 -0.563 2.033 0.0000 0.0000 0.0000 + 4ALA H 28 -0.689 -0.521 2.110 0.0000 0.0000 0.0000 + 4ALA CA 29 -0.876 -0.594 2.068 0.0000 0.0000 0.0000 + 4ALA HA 30 -0.869 -0.702 2.075 0.0000 0.0000 0.0000 + 4ALA CB 31 -0.904 -0.534 2.205 0.0000 0.0000 0.0000 + 4ALA HB1 32 -0.894 -0.425 2.200 0.0000 0.0000 0.0000 + 4ALA HB2 33 -0.846 -0.575 2.288 0.0000 0.0000 0.0000 + 4ALA HB3 34 -1.011 -0.545 2.225 0.0000 0.0000 0.0000 + 4ALA C 35 -0.981 -0.556 1.964 0.0000 0.0000 0.0000 + 4ALA O 36 -0.972 -0.449 1.905 0.0000 0.0000 0.0000 + 5ALA N 37 -1.079 -0.644 1.941 0.0000 0.0000 0.0000 + 5ALA H 38 -1.079 -0.725 2.002 0.0000 0.0000 0.0000 + 5ALA CA 39 -1.186 -0.610 1.850 0.0000 0.0000 0.0000 + 5ALA HA 40 -1.191 -0.502 1.835 0.0000 0.0000 0.0000 + 5ALA CB 41 -1.156 -0.666 1.712 0.0000 0.0000 0.0000 + 5ALA HB1 42 -1.137 -0.773 1.712 0.0000 0.0000 0.0000 + 5ALA HB2 43 -1.076 -0.604 1.671 0.0000 0.0000 0.0000 + 5ALA HB3 44 -1.242 -0.650 1.647 0.0000 0.0000 0.0000 + 5ALA C 45 -1.320 -0.655 1.906 0.0000 0.0000 0.0000 + 5ALA O 46 -1.425 -0.600 1.872 0.0000 0.0000 0.0000 + 6ALA N 47 -1.327 -0.762 1.986 0.0000 0.0000 0.0000 + 6ALA H 48 -1.235 -0.803 1.999 0.0000 0.0000 0.0000 + 6ALA CA 49 -1.437 -0.819 2.061 0.0000 0.0000 0.0000 + 6ALA HA 50 -1.394 -0.918 2.075 0.0000 0.0000 0.0000 + 6ALA CB 51 -1.461 -0.751 2.195 0.0000 0.0000 0.0000 + 6ALA HB1 52 -1.559 -0.785 2.229 0.0000 0.0000 0.0000 + 6ALA HB2 53 -1.479 -0.645 2.179 0.0000 0.0000 0.0000 + 6ALA HB3 54 -1.380 -0.785 2.260 0.0000 0.0000 0.0000 + 6ALA C 55 -1.568 -0.833 1.985 0.0000 0.0000 0.0000 + 6ALA O 56 -1.607 -0.944 1.948 0.0000 0.0000 0.0000 + 7ALA N 57 -1.639 -0.722 1.964 0.0000 0.0000 0.0000 + 7ALA H 58 -1.578 -0.647 1.995 0.0000 0.0000 0.0000 + 7ALA CA 59 -1.749 -0.701 1.872 0.0000 0.0000 0.0000 + 7ALA HA 60 -1.832 -0.753 1.921 0.0000 0.0000 0.0000 + 7ALA CB 61 -1.783 -0.553 1.866 0.0000 0.0000 0.0000 + 7ALA HB1 62 -1.694 -0.489 1.865 0.0000 0.0000 0.0000 + 7ALA HB2 63 -1.848 -0.523 1.948 0.0000 0.0000 0.0000 + 7ALA HB3 64 -1.839 -0.521 1.778 0.0000 0.0000 0.0000 + 7ALA C 65 -1.729 -0.762 1.734 0.0000 0.0000 0.0000 + 7ALA O 66 -1.806 -0.843 1.684 0.0000 0.0000 0.0000 + 8ALA N 67 -1.617 -0.729 1.669 0.0000 0.0000 0.0000 + 8ALA H 68 -1.546 -0.681 1.722 0.0000 0.0000 0.0000 + 8ALA CA 69 -1.596 -0.760 1.528 0.0000 0.0000 0.0000 + 8ALA HA 70 -1.688 -0.790 1.479 0.0000 0.0000 0.0000 + 8ALA CB 71 -1.548 -0.635 1.455 0.0000 0.0000 0.0000 + 8ALA HB1 72 -1.619 -0.554 1.470 0.0000 0.0000 0.0000 + 8ALA HB2 73 -1.541 -0.657 1.349 0.0000 0.0000 0.0000 + 8ALA HB3 74 -1.448 -0.620 1.496 0.0000 0.0000 0.0000 + 8ALA C 75 -1.510 -0.884 1.515 0.0000 0.0000 0.0000 + 8ALA O 76 -1.406 -0.888 1.449 0.0000 0.0000 0.0000 + 9ALA N 77 -1.556 -0.985 1.590 0.0000 0.0000 0.0000 + 9ALA H 78 -1.649 -0.973 1.626 0.0000 0.0000 0.0000 + 9ALA CA 79 -1.480 -1.090 1.654 0.0000 0.0000 0.0000 + 9ALA HA 80 -1.551 -1.132 1.726 0.0000 0.0000 0.0000 + 9ALA CB 81 -1.453 -1.209 1.562 0.0000 0.0000 0.0000 + 9ALA HB1 82 -1.418 -1.169 1.468 0.0000 0.0000 0.0000 + 9ALA HB2 83 -1.544 -1.267 1.548 0.0000 0.0000 0.0000 + 9ALA HB3 84 -1.369 -1.265 1.604 0.0000 0.0000 0.0000 + 9ALA C 85 -1.362 -1.042 1.738 0.0000 0.0000 0.0000 + 9ALA O 86 -1.331 -0.924 1.749 0.0000 0.0000 0.0000 + 10ALA N 87 -1.300 -1.134 1.812 0.0000 0.0000 0.0000 + 10ALA H 88 -1.321 -1.232 1.801 0.0000 0.0000 0.0000 + 10ALA CA 89 -1.224 -1.112 1.933 0.0000 0.0000 0.0000 + 10ALA HA 90 -1.294 -1.080 2.011 0.0000 0.0000 0.0000 + 10ALA CB 91 -1.161 -1.244 1.978 0.0000 0.0000 0.0000 + 10ALA HB1 92 -1.095 -1.282 1.901 0.0000 0.0000 0.0000 + 10ALA HB2 93 -1.238 -1.317 2.004 0.0000 0.0000 0.0000 + 10ALA HB3 94 -1.102 -1.228 2.068 0.0000 0.0000 0.0000 + 10ALA C 95 -1.110 -1.013 1.918 0.0000 0.0000 0.0000 + 10ALA O 96 -1.106 -0.915 1.992 0.0000 0.0000 0.0000 + 11ALA N 97 -1.012 -1.036 1.830 0.0000 0.0000 0.0000 + 11ALA H 98 -1.020 -1.126 1.786 0.0000 0.0000 0.0000 + 11ALA CA 99 -0.893 -0.955 1.821 0.0000 0.0000 0.0000 + 11ALA HA 100 -0.924 -0.851 1.829 0.0000 0.0000 0.0000 + 11ALA CB 101 -0.796 -0.988 1.933 0.0000 0.0000 0.0000 + 11ALA HB1 102 -0.840 -0.953 2.026 0.0000 0.0000 0.0000 + 11ALA HB2 103 -0.699 -0.938 1.931 0.0000 0.0000 0.0000 + 11ALA HB3 104 -0.788 -1.097 1.934 0.0000 0.0000 0.0000 + 11ALA C 105 -0.826 -0.977 1.686 0.0000 0.0000 0.0000 + 11ALA O 106 -0.857 -1.075 1.619 0.0000 0.0000 0.0000 + 12ALA N 107 -0.737 -0.882 1.654 0.0000 0.0000 0.0000 + 12ALA H 108 -0.731 -0.797 1.708 0.0000 0.0000 0.0000 + 12ALA CA 109 -0.668 -0.882 1.526 0.0000 0.0000 0.0000 + 12ALA HA 110 -0.688 -0.975 1.472 0.0000 0.0000 0.0000 + 12ALA CB 111 -0.714 -0.770 1.434 0.0000 0.0000 0.0000 + 12ALA HB1 112 -0.820 -0.778 1.408 0.0000 0.0000 0.0000 + 12ALA HB2 113 -0.661 -0.775 1.339 0.0000 0.0000 0.0000 + 12ALA HB3 114 -0.704 -0.680 1.495 0.0000 0.0000 0.0000 + 12ALA C 115 -0.518 -0.881 1.550 0.0000 0.0000 0.0000 + 12ALA O 116 -0.467 -0.820 1.644 0.0000 0.0000 0.0000 + 13ALA N 117 -0.438 -0.946 1.465 0.0000 0.0000 0.0000 + 13ALA H 118 -0.481 -0.984 1.382 0.0000 0.0000 0.0000 + 13ALA CA 119 -0.293 -0.945 1.465 0.0000 0.0000 0.0000 + 13ALA HA 120 -0.266 -0.984 1.563 0.0000 0.0000 0.0000 + 13ALA CB 121 -0.244 -1.047 1.362 0.0000 0.0000 0.0000 + 13ALA HB1 122 -0.294 -1.019 1.270 0.0000 0.0000 0.0000 + 13ALA HB2 123 -0.270 -1.149 1.389 0.0000 0.0000 0.0000 + 13ALA HB3 124 -0.135 -1.043 1.354 0.0000 0.0000 0.0000 + 13ALA C 125 -0.235 -0.809 1.430 0.0000 0.0000 0.0000 + 13ALA O 126 -0.277 -0.744 1.335 0.0000 0.0000 0.0000 + 14NME N 127 -0.141 -0.764 1.514 0.0000 0.0000 0.0000 + 14NME H 128 -0.103 -0.828 1.583 0.0000 0.0000 0.0000 + 14NME CH3 129 -0.078 -0.635 1.493 0.0000 0.0000 0.0000 + 14NME HH31 130 0.019 -0.629 1.542 0.0000 0.0000 0.0000 + 14NME HH32 131 -0.149 -0.567 1.540 0.0000 0.0000 0.0000 + 14NME HH33 132 -0.074 -0.617 1.386 0.0000 0.0000 0.0000 + 100.0000000 100.0000000 100.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 diff --git a/regtest/basic/rt63c-mpi/helix.pdb b/regtest/basic/rt63c-mpi/helix.pdb new file mode 100644 index 0000000000000000000000000000000000000000..179f70a008a07477ef32f240be113712e470e668 --- /dev/null +++ b/regtest/basic/rt63c-mpi/helix.pdb @@ -0,0 +1,133 @@ +ATOM 1 HH31 ACE 1 -9.105 -2.402 21.804 0.00 0.00 +ATOM 2 CH3 ACE 1 -8.930 -3.352 22.308 0.00 0.00 +ATOM 3 HH32 ACE 1 -9.504 -3.501 23.223 0.00 0.00 +ATOM 4 HH33 ACE 1 -9.067 -4.173 21.604 0.00 0.00 +ATOM 5 C ACE 1 -7.450 -3.303 22.659 0.00 0.00 +ATOM 6 O ACE 1 -6.909 -2.213 22.834 0.00 0.00 +ATOM 7 N ALA 2 -6.812 -4.475 22.683 0.00 0.00 +ATOM 8 H ALA 2 -7.324 -5.304 22.418 0.00 0.00 +ATOM 9 CA ALA 2 -5.397 -4.597 22.969 1.00 1.00 +ATOM 10 HA ALA 2 -4.882 -3.860 22.353 0.00 0.00 +ATOM 11 CB ALA 2 -5.075 -4.366 24.443 0.00 0.00 +ATOM 12 HB1 ALA 2 -4.010 -4.351 24.674 0.00 0.00 +ATOM 13 HB2 ALA 2 -5.438 -5.144 25.114 0.00 0.00 +ATOM 14 HB3 ALA 2 -5.561 -3.425 24.701 0.00 0.00 +ATOM 15 C ALA 2 -4.909 -5.948 22.466 0.00 0.00 +ATOM 16 O ALA 2 -4.728 -6.129 21.264 0.00 0.00 +ATOM 17 N ALA 3 -4.848 -6.965 23.328 0.00 0.00 +ATOM 18 H ALA 3 -5.121 -6.790 24.285 0.00 0.00 +ATOM 19 CA ALA 3 -4.722 -8.399 23.159 1.00 1.00 +ATOM 20 HA ALA 3 -3.768 -8.522 22.645 0.00 0.00 +ATOM 21 CB ALA 3 -4.609 -9.090 24.515 0.00 0.00 +ATOM 22 HB1 ALA 3 -3.760 -8.709 25.082 0.00 0.00 +ATOM 23 HB2 ALA 3 -4.510 -10.142 24.246 0.00 0.00 +ATOM 24 HB3 ALA 3 -5.489 -9.125 25.158 0.00 0.00 +ATOM 25 C ALA 3 -5.753 -9.060 22.256 0.00 0.00 +ATOM 26 O ALA 3 -5.359 -9.754 21.321 0.00 0.00 +ATOM 27 N ALA 4 -7.036 -8.865 22.568 0.00 0.00 +ATOM 28 H ALA 4 -7.040 -8.063 23.182 0.00 0.00 +ATOM 29 CA ALA 4 -8.201 -9.234 21.789 1.00 1.00 +ATOM 30 HA ALA 4 -7.869 -9.845 20.949 0.00 0.00 +ATOM 31 CB ALA 4 -9.165 -9.957 22.726 0.00 0.00 +ATOM 32 HB1 ALA 4 -8.633 -10.787 23.190 0.00 0.00 +ATOM 33 HB2 ALA 4 -10.099 -10.329 22.305 0.00 0.00 +ATOM 34 HB3 ALA 4 -9.400 -9.257 23.527 0.00 0.00 +ATOM 35 C ALA 4 -8.724 -7.907 21.258 0.00 0.00 +ATOM 36 O ALA 4 -8.269 -6.846 21.676 0.00 0.00 +ATOM 37 N ALA 5 -9.566 -7.899 20.221 0.00 0.00 +ATOM 38 H ALA 5 -9.630 -8.819 19.810 0.00 0.00 +ATOM 39 CA ALA 5 -9.923 -6.793 19.356 1.00 1.00 +ATOM 40 HA ALA 5 -10.138 -5.948 20.009 0.00 0.00 +ATOM 41 CB ALA 5 -8.791 -6.404 18.409 0.00 0.00 +ATOM 42 HB1 ALA 5 -8.531 -7.143 17.651 0.00 0.00 +ATOM 43 HB2 ALA 5 -7.859 -6.290 18.963 0.00 0.00 +ATOM 44 HB3 ALA 5 -8.983 -5.483 17.859 0.00 0.00 +ATOM 45 C ALA 5 -11.178 -7.047 18.532 0.00 0.00 +ATOM 46 O ALA 5 -11.516 -8.217 18.366 0.00 0.00 +ATOM 47 N ALA 6 -11.927 -6.054 18.049 0.00 0.00 +ATOM 48 H ALA 6 -11.603 -5.097 18.052 0.00 0.00 +ATOM 49 CA ALA 6 -13.240 -6.259 17.469 1.00 1.00 +ATOM 50 HA ALA 6 -13.121 -7.160 16.866 0.00 0.00 +ATOM 51 CB ALA 6 -14.367 -6.396 18.489 0.00 0.00 +ATOM 52 HB1 ALA 6 -15.329 -6.504 17.990 0.00 0.00 +ATOM 53 HB2 ALA 6 -14.356 -5.552 19.178 0.00 0.00 +ATOM 54 HB3 ALA 6 -14.135 -7.227 19.155 0.00 0.00 +ATOM 55 C ALA 6 -13.632 -5.087 16.582 0.00 0.00 +ATOM 56 O ALA 6 -13.364 -3.936 16.918 0.00 0.00 +ATOM 57 N ALA 7 -14.207 -5.433 15.428 0.00 0.00 +ATOM 58 H ALA 7 -14.289 -6.440 15.399 0.00 0.00 +ATOM 59 CA ALA 7 -14.898 -4.580 14.482 1.00 1.00 +ATOM 60 HA ALA 7 -15.364 -3.792 15.074 0.00 0.00 +ATOM 61 CB ALA 7 -13.891 -3.800 13.642 0.00 0.00 +ATOM 62 HB1 ALA 7 -14.478 -3.098 13.049 0.00 0.00 +ATOM 63 HB2 ALA 7 -13.232 -4.434 13.048 0.00 0.00 +ATOM 64 HB3 ALA 7 -13.289 -3.155 14.282 0.00 0.00 +ATOM 65 C ALA 7 -15.946 -5.170 13.549 0.00 0.00 +ATOM 66 O ALA 7 -17.154 -5.054 13.744 0.00 0.00 +ATOM 67 N ALA 8 -15.477 -6.023 12.635 0.00 0.00 +ATOM 68 H ALA 8 -14.472 -6.108 12.571 0.00 0.00 +ATOM 69 CA ALA 8 -16.137 -7.083 11.902 1.00 1.00 +ATOM 70 HA ALA 8 -17.209 -7.030 12.095 0.00 0.00 +ATOM 71 CB ALA 8 -15.913 -6.901 10.403 0.00 0.00 +ATOM 72 HB1 ALA 8 -16.476 -6.072 9.975 0.00 0.00 +ATOM 73 HB2 ALA 8 -16.105 -7.811 9.835 0.00 0.00 +ATOM 74 HB3 ALA 8 -14.837 -6.728 10.420 0.00 0.00 +ATOM 75 C ALA 8 -15.549 -8.405 12.374 0.00 0.00 +ATOM 76 O ALA 8 -14.368 -8.711 12.226 0.00 0.00 +ATOM 77 N ALA 9 -16.457 -9.114 13.049 0.00 0.00 +ATOM 78 H ALA 9 -17.362 -8.674 13.143 0.00 0.00 +ATOM 79 CA ALA 9 -16.134 -10.157 14.001 1.00 1.00 +ATOM 80 HA ALA 9 -17.002 -10.541 14.537 0.00 0.00 +ATOM 81 CB ALA 9 -15.583 -11.305 13.160 0.00 0.00 +ATOM 82 HB1 ALA 9 -14.572 -10.975 12.918 0.00 0.00 +ATOM 83 HB2 ALA 9 -16.217 -11.496 12.294 0.00 0.00 +ATOM 84 HB3 ALA 9 -15.599 -12.271 13.664 0.00 0.00 +ATOM 85 C ALA 9 -15.269 -9.591 15.119 0.00 0.00 +ATOM 86 O ALA 9 -15.214 -8.375 15.293 0.00 0.00 +ATOM 87 N ALA 10 -14.681 -10.478 15.924 0.00 0.00 +ATOM 88 H ALA 10 -14.907 -11.462 15.897 0.00 0.00 +ATOM 89 CA ALA 10 -13.672 -10.148 16.910 1.00 1.00 +ATOM 90 HA ALA 10 -13.288 -9.136 16.780 0.00 0.00 +ATOM 91 CB ALA 10 -14.348 -10.169 18.278 0.00 0.00 +ATOM 92 HB1 ALA 10 -14.897 -9.229 18.335 0.00 0.00 +ATOM 93 HB2 ALA 10 -13.581 -10.251 19.048 0.00 0.00 +ATOM 94 HB3 ALA 10 -14.889 -11.094 18.478 0.00 0.00 +ATOM 95 C ALA 10 -12.514 -11.131 16.810 0.00 0.00 +ATOM 96 O ALA 10 -12.670 -12.212 16.247 0.00 0.00 +ATOM 97 N ALA 11 -11.304 -10.734 17.209 0.00 0.00 +ATOM 98 H ALA 11 -11.300 -9.774 17.523 0.00 0.00 +ATOM 99 CA ALA 11 -10.028 -11.384 16.987 1.00 1.00 +ATOM 100 HA ALA 11 -10.121 -12.468 16.930 0.00 0.00 +ATOM 101 CB ALA 11 -9.496 -11.025 15.603 0.00 0.00 +ATOM 102 HB1 ALA 11 -8.583 -11.593 15.421 0.00 0.00 +ATOM 103 HB2 ALA 11 -9.380 -9.942 15.574 0.00 0.00 +ATOM 104 HB3 ALA 11 -10.131 -11.309 14.763 0.00 0.00 +ATOM 105 C ALA 11 -9.012 -11.121 18.089 0.00 0.00 +ATOM 106 O ALA 11 -9.298 -10.314 18.971 0.00 0.00 +ATOM 107 N ALA 12 -7.836 -11.750 18.022 0.00 0.00 +ATOM 108 H ALA 12 -7.676 -12.430 17.292 0.00 0.00 +ATOM 109 CA ALA 12 -6.626 -11.294 18.676 1.00 1.00 +ATOM 110 HA ALA 12 -6.953 -10.965 19.663 0.00 0.00 +ATOM 111 CB ALA 12 -5.678 -12.473 18.875 0.00 0.00 +ATOM 112 HB1 ALA 12 -5.215 -12.710 17.917 0.00 0.00 +ATOM 113 HB2 ALA 12 -6.285 -13.303 19.237 0.00 0.00 +ATOM 114 HB3 ALA 12 -4.881 -12.167 19.553 0.00 0.00 +ATOM 115 C ALA 12 -6.012 -10.138 17.899 0.00 0.00 +ATOM 116 O ALA 12 -6.378 -9.893 16.752 0.00 0.00 +ATOM 117 N ALA 13 -5.091 -9.417 18.543 0.00 0.00 +ATOM 118 H ALA 13 -5.077 -9.637 19.529 0.00 0.00 +ATOM 119 CA ALA 13 -4.233 -8.407 17.956 1.00 1.00 +ATOM 120 HA ALA 13 -3.980 -8.732 16.947 0.00 0.00 +ATOM 121 CB ALA 13 -4.967 -7.073 17.857 0.00 0.00 +ATOM 122 HB1 ALA 13 -4.295 -6.295 17.497 0.00 0.00 +ATOM 123 HB2 ALA 13 -5.447 -6.756 18.783 0.00 0.00 +ATOM 124 HB3 ALA 13 -5.784 -7.235 17.154 0.00 0.00 +ATOM 125 C ALA 13 -2.955 -8.248 18.767 0.00 0.00 +ATOM 126 O ALA 13 -1.984 -8.964 18.535 0.00 0.00 +ATOM 127 N NME 14 -2.923 -7.389 19.788 0.00 0.00 +ATOM 128 H NME 14 -3.729 -6.821 20.007 0.00 0.00 +ATOM 129 CH3 NME 14 -1.690 -7.089 20.487 0.00 0.00 +ATOM 130 HH31 NME 14 -1.873 -6.629 21.459 0.00 0.00 +ATOM 131 HH32 NME 14 -1.152 -6.284 19.986 0.00 0.00 +ATOM 132 HH33 NME 14 -1.135 -8.020 20.602 0.00 0.00 +END diff --git a/regtest/basic/rt63c-mpi/plumed.dat b/regtest/basic/rt63c-mpi/plumed.dat new file mode 100644 index 0000000000000000000000000000000000000000..ca951d0b382e5dd9719ae7f30aa51b26b1ff5c76 --- /dev/null +++ b/regtest/basic/rt63c-mpi/plumed.dat @@ -0,0 +1,29 @@ +MOLINFO STRUCTURE=helix.pdb + +DUMPATOMS ATOMS=1-132 FILE=before.gro + +# length of first lattice vector +cell: CELL +aaaa: MATHEVAL ARG=cell.ax,cell.ay,cell.az FUNC=0.001*(x*x+y*y+z*z) PERIODIC=NO + +# rmsd with align!=displace +rmsd: RMSD REFERENCE=align.pdb TYPE=OPTIMAL + +FIT_TO_TEMPLATE REFERENCE=align.pdb TYPE=OPTIMAL + +# length of first lattice vector +cell2: CELL +aaaa2: MATHEVAL ARG=cell.ax,cell.ay,cell.az FUNC=0.001*(x*x+y*y+z*z) PERIODIC=NO + +# rmsd with align!=displace +p8: POSITION ATOM=8 +rmsd2: MATHEVAL ARG=p8.x,p8.y,p8.z FUNC=sqrt((x-0.2)^2+(y-0.3)^2+(z-0.4)^2) PERIODIC=NO + +PRINT ARG=aaaa,aaaa2,rmsd,rmsd2 FILE=ddd + +# here either rmsd or rmsd2 should give the same result: +RESTRAINT ARG=rmsd2 AT=0 SLOPE=1 +# here either aaaa or aaaa2 should give the same result: +RESTRAINT ARG=aaaa2 AT=0 SLOPE=1 + +DUMPATOMS ATOMS=1-132 FILE=after.gro