NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype |
492183 | 2k4g | cing | 1-original | 2 | PDB | coordinate | initial |
REMARK 1 PDB file generated by ptraj (set 1) ATOM 1 1HH3 ACE 1 20.726 5.473 -6.543 0.00 0.00 ATOM 2 CH3 ACE 1 21.337 4.617 -6.227 0.00 0.00 ATOM 3 2HH3 ACE 1 21.461 3.805 -6.956 0.00 0.00 ATOM 4 3HH3 ACE 1 22.296 5.129 -6.424 0.00 0.00 ATOM 5 C ACE 1 21.216 4.281 -5.132 0.00 0.00 ATOM 6 O ACE 1 22.092 4.288 -4.569 0.00 0.00 ATOM 7 N1' GPN 2 20.374 3.673 -4.864 0.00 0.00 ATOM 8 H1' GPN 2 20.483 3.160 -3.997 0.00 0.00 ATOM 9 C2' GPN 2 19.283 4.078 -5.157 0.00 0.00 ATOM 10 1H2' GPN 2 19.160 5.179 -5.223 0.00 0.00 ATOM 11 2H2' GPN 2 18.684 3.811 -4.257 0.00 0.00 ATOM 12 C3' GPN 2 19.147 3.498 -6.252 0.00 0.00 ATOM 13 1H3' GPN 2 19.738 2.634 -6.601 0.00 0.00 ATOM 14 2H3' GPN 2 19.390 4.098 -7.129 0.00 0.00 ATOM 15 N4' GPN 2 17.976 3.401 -6.191 0.00 0.00 ATOM 16 C7' GPN 2 17.662 2.287 -5.834 0.00 0.00 ATOM 17 O7' GPN 2 16.554 2.089 -6.164 0.00 0.00 ATOM 18 C8' GPN 2 18.666 1.366 -5.142 0.00 0.00 ATOM 19 1H8' GPN 2 19.397 0.940 -5.833 0.00 0.00 ATOM 20 2H8' GPN 2 19.171 1.778 -4.274 0.00 0.00 ATOM 21 N9 GPN 2 17.965 0.325 -4.649 0.00 0.00 ATOM 22 C8 GPN 2 17.766 -0.839 -5.237 0.00 0.00 ATOM 23 H8 GPN 2 18.198 -1.118 -6.192 0.00 0.00 ATOM 24 N7 GPN 2 17.054 -1.619 -4.519 0.00 0.00 ATOM 25 C5 GPN 2 16.738 -0.839 -3.438 0.00 0.00 ATOM 26 C6 GPN 2 15.994 -1.142 -2.305 0.00 0.00 ATOM 27 O6 GPN 2 15.467 -2.188 -2.014 0.00 0.00 ATOM 28 N1 GPN 2 15.880 -0.113 -1.447 0.00 0.00 ATOM 29 H1 GPN 2 15.330 -0.280 -0.628 0.00 0.00 ATOM 30 C2 GPN 2 16.421 1.091 -1.653 0.00 0.00 ATOM 31 N2 GPN 2 16.211 1.992 -0.765 0.00 0.00 ATOM 32 H21 GPN 2 16.637 2.886 -0.914 0.00 0.00 ATOM 33 H22 GPN 2 15.635 1.821 0.048 0.00 0.00 ATOM 34 N3 GPN 2 17.138 1.443 -2.695 0.00 0.00 ATOM 35 C4 GPN 2 17.252 0.403 -3.540 0.00 0.00 ATOM 36 C5' GPN 2 17.294 4.281 -7.028 0.00 0.00 ATOM 37 1H5' GPN 2 16.911 3.733 -7.894 0.00 0.00 ATOM 38 2H5' GPN 2 17.896 5.097 -7.443 0.00 0.00 ATOM 39 C' GPN 2 16.281 4.930 -6.483 0.00 0.00 ATOM 40 O1' GPN 2 15.630 5.651 -7.149 0.00 0.00 ATOM 41 N1' GPN 3 16.170 4.779 -5.308 0.00 0.00 ATOM 42 H1' GPN 3 16.786 4.207 -4.746 0.00 0.00 ATOM 43 C2' GPN 3 15.394 5.707 -4.843 0.00 0.00 ATOM 44 1H2' GPN 3 15.937 6.209 -4.035 0.00 0.00 ATOM 45 2H2' GPN 3 14.920 6.524 -5.401 0.00 0.00 ATOM 46 C3' GPN 3 14.505 4.953 -4.319 0.00 0.00 ATOM 47 1H3' GPN 3 15.009 4.350 -3.574 0.00 0.00 ATOM 48 2H3' GPN 3 14.054 5.652 -3.616 0.00 0.00 ATOM 49 N4' GPN 3 13.352 4.453 -4.912 0.00 0.00 ATOM 50 C7' GPN 3 12.917 3.308 -4.401 0.00 0.00 ATOM 51 O7' GPN 3 11.761 2.964 -4.599 0.00 0.00 ATOM 52 C8' GPN 3 13.868 2.410 -3.591 0.00 0.00 ATOM 53 1H8' GPN 3 14.689 2.072 -4.223 0.00 0.00 ATOM 54 2H8' GPN 3 14.261 2.919 -2.715 0.00 0.00 ATOM 55 N9 GPN 3 13.174 1.268 -3.032 0.00 0.00 ATOM 56 C8 GPN 3 12.987 0.042 -3.586 0.00 0.00 ATOM 57 H8 GPN 3 13.375 -0.231 -4.560 0.00 0.00 ATOM 58 N7 GPN 3 12.301 -0.768 -2.835 0.00 0.00 ATOM 59 C5 GPN 3 12.016 -0.007 -1.704 0.00 0.00 ATOM 60 C6 GPN 3 11.287 -0.324 -0.518 0.00 0.00 ATOM 61 O6 GPN 3 10.731 -1.369 -0.198 0.00 0.00 ATOM 62 N1 GPN 3 11.207 0.715 0.370 0.00 0.00 ATOM 63 H1 GPN 3 10.661 0.532 1.198 0.00 0.00 ATOM 64 C2 GPN 3 11.760 1.935 0.160 0.00 0.00 ATOM 65 N2 GPN 3 11.565 2.851 1.069 0.00 0.00 ATOM 66 H21 GPN 3 11.986 3.747 0.895 0.00 0.00 ATOM 67 H22 GPN 3 10.972 2.698 1.879 0.00 0.00 ATOM 68 N3 GPN 3 12.459 2.277 -0.919 0.00 0.00 ATOM 69 C4 GPN 3 12.548 1.254 -1.820 0.00 0.00 ATOM 70 C5' GPN 3 12.495 5.310 -5.706 0.00 0.00 ATOM 71 1H5' GPN 3 11.745 4.716 -6.229 0.00 0.00 ATOM 72 2H5' GPN 3 13.096 5.785 -6.482 0.00 0.00 ATOM 73 C' GPN 3 11.775 6.395 -4.957 0.00 0.00 ATOM 74 O1' GPN 3 11.349 7.293 -5.578 0.00 0.00 ATOM 75 N1' CPN 4 11.606 6.483 -3.680 0.00 0.00 ATOM 76 H1' CPN 4 11.981 5.744 -3.101 0.00 0.00 ATOM 77 C2' CPN 4 11.091 7.699 -3.036 0.00 0.00 ATOM 78 1H2' CPN 4 11.928 8.239 -2.589 0.00 0.00 ATOM 79 2H2' CPN 4 10.603 8.386 -3.728 0.00 0.00 ATOM 80 C3' CPN 4 10.122 7.349 -1.932 0.00 0.00 ATOM 81 1H3' CPN 4 10.628 6.722 -1.203 0.00 0.00 ATOM 82 2H3' CPN 4 9.854 8.273 -1.423 0.00 0.00 ATOM 83 N4' CPN 4 8.902 6.727 -2.444 0.00 0.00 ATOM 84 C7' CPN 4 8.609 5.419 -2.331 0.00 0.00 ATOM 85 O7' CPN 4 7.526 4.980 -2.717 0.00 0.00 ATOM 86 C8' CPN 4 9.619 4.459 -1.692 0.00 0.00 ATOM 87 1H8' CPN 4 9.909 4.835 -0.712 0.00 0.00 ATOM 88 2H8' CPN 4 10.511 4.413 -2.314 0.00 0.00 ATOM 89 N1 CPN 4 9.066 3.093 -1.539 0.00 0.00 ATOM 90 C6 CPN 4 9.251 2.163 -2.521 0.00 0.00 ATOM 91 H6 CPN 4 9.808 2.412 -3.412 0.00 0.00 ATOM 92 C5 CPN 4 8.727 0.930 -2.378 0.00 0.00 ATOM 93 H5 CPN 4 8.875 0.190 -3.149 0.00 0.00 ATOM 94 C4 CPN 4 7.987 0.675 -1.198 0.00 0.00 ATOM 95 N4 CPN 4 7.452 -0.492 -1.002 0.00 0.00 ATOM 96 H41 CPN 4 7.566 -1.225 -1.681 0.00 0.00 ATOM 97 H42 CPN 4 6.883 -0.609 -0.171 0.00 0.00 ATOM 98 N3 CPN 4 7.776 1.566 -0.257 0.00 0.00 ATOM 99 C2 CPN 4 8.297 2.792 -0.421 0.00 0.00 ATOM 100 O2 CPN 4 8.066 3.617 0.458 0.00 0.00 ATOM 101 C5' CPN 4 7.969 7.627 -3.144 0.00 0.00 ATOM 102 1H5' CPN 4 7.268 7.063 -3.760 0.00 0.00 ATOM 103 2H5' CPN 4 8.523 8.260 -3.836 0.00 0.00 ATOM 104 C' CPN 4 7.151 8.542 -2.250 0.00 0.00 ATOM 105 O1' CPN 4 6.572 9.492 -2.767 0.00 0.00 ATOM 106 N1' APN 5 7.116 8.322 -0.933 0.00 0.00 ATOM 107 H1' APN 5 7.630 7.529 -0.573 0.00 0.00 ATOM 108 C2' APN 5 6.521 9.261 0.025 0.00 0.00 ATOM 109 1H2' APN 5 7.293 9.587 0.726 0.00 0.00 ATOM 110 2H2' APN 5 6.158 10.159 -0.477 0.00 0.00 ATOM 111 C3' APN 5 5.390 8.641 0.837 0.00 0.00 ATOM 112 1H3' APN 5 5.803 7.857 1.465 0.00 0.00 ATOM 113 2H3' APN 5 4.990 9.405 1.502 0.00 0.00 ATOM 114 N4' APN 5 4.320 8.146 -0.011 0.00 0.00 ATOM 115 C7' APN 5 4.103 6.865 -0.341 0.00 0.00 ATOM 116 O7' APN 5 3.211 6.535 -1.125 0.00 0.00 ATOM 117 C8' APN 5 5.000 5.803 0.280 0.00 0.00 ATOM 118 1H8' APN 5 6.019 5.931 -0.082 0.00 0.00 ATOM 119 2H8' APN 5 5.005 5.917 1.363 0.00 0.00 ATOM 120 N9 APN 5 4.551 4.443 -0.033 0.00 0.00 ATOM 121 C8 APN 5 5.012 3.598 -1.003 0.00 0.00 ATOM 122 H8 APN 5 5.773 3.871 -1.716 0.00 0.00 ATOM 123 N7 APN 5 4.479 2.412 -0.969 0.00 0.00 ATOM 124 C5 APN 5 3.552 2.515 0.070 0.00 0.00 ATOM 125 C6 APN 5 2.612 1.642 0.653 0.00 0.00 ATOM 126 N6 APN 5 2.435 0.390 0.305 0.00 0.00 ATOM 127 H61 APN 5 1.719 -0.143 0.785 0.00 0.00 ATOM 128 H62 APN 5 3.016 -0.020 -0.410 0.00 0.00 ATOM 129 N1 APN 5 1.798 2.052 1.621 0.00 0.00 ATOM 130 C2 APN 5 1.911 3.304 2.034 0.00 0.00 ATOM 131 H2 APN 5 1.244 3.604 2.834 0.00 0.00 ATOM 132 N3 APN 5 2.752 4.233 1.601 0.00 0.00 ATOM 133 C4 APN 5 3.554 3.767 0.610 0.00 0.00 ATOM 134 C5' APN 5 3.501 9.171 -0.569 0.00 0.00 ATOM 135 1H5' APN 5 3.150 8.886 -1.563 0.00 0.00 ATOM 136 2H5' APN 5 4.077 10.084 -0.709 0.00 0.00 ATOM 137 C' APN 5 2.349 9.526 0.258 0.00 0.00 ATOM 138 O1' APN 5 1.490 9.833 -0.214 0.00 0.00 ATOM 139 N1' TPN 6 1.906 9.588 1.388 0.00 0.00 ATOM 140 H1' TPN 6 2.540 9.224 2.088 0.00 0.00 ATOM 141 C2' TPN 6 0.733 10.316 1.941 0.00 0.00 ATOM 142 1H2' TPN 6 1.060 10.842 2.840 0.00 0.00 ATOM 143 2H2' TPN 6 0.327 11.077 1.271 0.00 0.00 ATOM 144 C3' TPN 6 -0.343 9.342 2.359 0.00 0.00 ATOM 145 1H3' TPN 6 0.111 8.519 2.904 0.00 0.00 ATOM 146 2H3' TPN 6 -0.988 9.860 3.067 0.00 0.00 ATOM 147 N4' TPN 6 -1.183 8.886 1.257 0.00 0.00 ATOM 148 C7' TPN 6 -1.165 7.648 0.735 0.00 0.00 ATOM 149 O7' TPN 6 -1.988 7.304 -0.118 0.00 0.00 ATOM 150 C8' TPN 6 -0.126 6.648 1.237 0.00 0.00 ATOM 151 1H8' TPN 6 0.870 7.023 1.004 0.00 0.00 ATOM 152 2H8' TPN 6 -0.199 6.553 2.320 0.00 0.00 ATOM 153 N1 TPN 6 -0.297 5.319 0.619 0.00 0.00 ATOM 154 C6 TPN 6 0.367 5.026 -0.544 0.00 0.00 ATOM 155 H6 TPN 6 0.973 5.781 -1.023 0.00 0.00 ATOM 156 C5 TPN 6 0.287 3.787 -1.079 0.00 0.00 ATOM 157 C7 TPN 6 1.112 3.460 -2.298 0.00 0.00 ATOM 158 H71 TPN 6 1.775 4.286 -2.559 0.00 0.00 ATOM 159 H72 TPN 6 0.446 3.250 -3.135 0.00 0.00 ATOM 160 H73 TPN 6 1.709 2.568 -2.108 0.00 0.00 ATOM 161 C4 TPN 6 -0.548 2.765 -0.463 0.00 0.00 ATOM 162 O4 TPN 6 -0.715 1.619 -0.858 0.00 0.00 ATOM 163 N3 TPN 6 -1.190 3.149 0.676 0.00 0.00 ATOM 164 H3 TPN 6 -1.740 2.449 1.149 0.00 0.00 ATOM 165 C2 TPN 6 -1.093 4.371 1.264 0.00 0.00 ATOM 166 O2 TPN 6 -1.668 4.555 2.327 0.00 0.00 ATOM 167 C5' TPN 6 -2.158 9.865 0.766 0.00 0.00 ATOM 168 1H5' TPN 6 -2.282 9.755 -0.312 0.00 0.00 ATOM 169 2H5' TPN 6 -1.789 10.876 0.937 0.00 0.00 ATOM 170 C' TPN 6 -3.528 9.773 1.412 0.00 0.00 ATOM 171 O1' TPN 6 -4.411 10.533 1.030 0.00 0.00 ATOM 172 N1' GPN 7 -3.728 8.901 2.398 0.00 0.00 ATOM 173 H1' GPN 7 -2.959 8.301 2.666 0.00 0.00 ATOM 174 C2' GPN 7 -4.915 8.926 3.248 0.00 0.00 ATOM 175 1H2' GPN 7 -4.598 9.135 4.272 0.00 0.00 ATOM 176 2H2' GPN 7 -5.597 9.727 2.964 0.00 0.00 ATOM 177 C3' GPN 7 -5.649 7.599 3.266 0.00 0.00 ATOM 178 1H3' GPN 7 -4.958 6.821 3.571 0.00 0.00 ATOM 179 2H3' GPN 7 -6.415 7.660 4.038 0.00 0.00 ATOM 180 N4' GPN 7 -6.301 7.317 1.995 0.00 0.00 ATOM 181 C7' GPN 7 -5.874 6.411 1.102 0.00 0.00 ATOM 182 O7' GPN 7 -6.494 6.229 0.054 0.00 0.00 ATOM 183 C8' GPN 7 -4.611 5.597 1.392 0.00 0.00 ATOM 184 1H8' GPN 7 -3.735 6.224 1.254 0.00 0.00 ATOM 185 2H8' GPN 7 -4.615 5.240 2.421 0.00 0.00 ATOM 186 N9 GPN 7 -4.531 4.418 0.521 0.00 0.00 ATOM 187 C8 GPN 7 -3.929 4.291 -0.701 0.00 0.00 ATOM 188 H8 GPN 7 -3.334 5.081 -1.146 0.00 0.00 ATOM 189 N7 GPN 7 -4.141 3.143 -1.280 0.00 0.00 ATOM 190 C5 GPN 7 -4.959 2.467 -0.375 0.00 0.00 ATOM 191 C6 GPN 7 -5.578 1.177 -0.438 0.00 0.00 ATOM 192 O6 GPN 7 -5.537 0.332 -1.326 0.00 0.00 ATOM 193 N1 GPN 7 -6.327 0.871 0.669 0.00 0.00 ATOM 194 H1 GPN 7 -6.774 -0.034 0.650 0.00 0.00 ATOM 195 C2 GPN 7 -6.483 1.698 1.732 0.00 0.00 ATOM 196 N2 GPN 7 -7.242 1.284 2.714 0.00 0.00 ATOM 197 H21 GPN 7 -7.323 1.896 3.507 0.00 0.00 ATOM 198 H22 GPN 7 -7.741 0.402 2.681 0.00 0.00 ATOM 199 N3 GPN 7 -5.951 2.915 1.828 0.00 0.00 ATOM 200 C4 GPN 7 -5.191 3.240 0.739 0.00 0.00 ATOM 201 C5' GPN 7 -7.499 8.116 1.706 0.00 0.00 ATOM 202 1H5' GPN 7 -7.688 8.167 0.634 0.00 0.00 ATOM 203 2H5' GPN 7 -7.344 9.145 2.026 0.00 0.00 ATOM 204 C' GPN 7 -8.767 7.633 2.374 0.00 0.00 ATOM 205 O1' GPN 7 -9.778 8.316 2.281 0.00 0.00 ATOM 206 N1' CPN 8 -8.754 6.509 3.078 0.00 0.00 ATOM 207 H1' CPN 8 -7.891 5.982 3.126 0.00 0.00 ATOM 208 C2' CPN 8 -9.865 6.115 3.939 0.00 0.00 ATOM 209 1H2' CPN 8 -9.486 5.971 4.954 0.00 0.00 ATOM 210 2H2' CPN 8 -10.625 6.895 3.998 0.00 0.00 ATOM 211 C3' CPN 8 -10.503 4.818 3.503 0.00 0.00 ATOM 212 1H3' CPN 8 -9.767 4.025 3.545 0.00 0.00 ATOM 213 2H3' CPN 8 -11.275 4.564 4.229 0.00 0.00 ATOM 214 N4' CPN 8 -11.123 4.963 2.208 0.00 0.00 ATOM 215 C7' CPN 8 -10.587 4.581 1.051 0.00 0.00 ATOM 216 O7' CPN 8 -11.175 4.773 -0.009 0.00 0.00 ATOM 217 C8' CPN 8 -9.233 3.882 1.054 0.00 0.00 ATOM 218 1H8' CPN 8 -8.444 4.628 1.136 0.00 0.00 ATOM 219 2H8' CPN 8 -9.152 3.204 1.898 0.00 0.00 ATOM 220 N1 CPN 8 -9.037 3.068 -0.154 0.00 0.00 ATOM 221 C6 CPN 8 -8.197 3.497 -1.134 0.00 0.00 ATOM 222 H6 CPN 8 -7.677 4.441 -1.040 0.00 0.00 ATOM 223 C5 CPN 8 -8.008 2.728 -2.222 0.00 0.00 ATOM 224 H5 CPN 8 -7.335 3.054 -3.000 0.00 0.00 ATOM 225 C4 CPN 8 -8.719 1.506 -2.283 0.00 0.00 ATOM 226 N4 CPN 8 -8.581 0.718 -3.304 0.00 0.00 ATOM 227 H41 CPN 8 -7.956 0.961 -4.054 0.00 0.00 ATOM 228 H42 CPN 8 -9.111 -0.147 -3.298 0.00 0.00 ATOM 229 N3 CPN 8 -9.558 1.096 -1.360 0.00 0.00 ATOM 230 C2 CPN 8 -9.734 1.872 -0.281 0.00 0.00 ATOM 231 O2 CPN 8 -10.518 1.472 0.575 0.00 0.00 ATOM 232 C5' CPN 8 -12.388 5.670 2.224 0.00 0.00 ATOM 233 1H5' CPN 8 -12.422 6.385 1.400 0.00 0.00 ATOM 234 2H5' CPN 8 -12.491 6.250 3.141 0.00 0.00 ATOM 235 C' CPN 8 -13.564 4.810 2.135 0.00 0.00 ATOM 236 O1' CPN 8 -14.620 5.293 1.973 0.00 0.00 ATOM 237 N1' CPN 9 -13.490 3.555 2.235 0.00 0.00 ATOM 238 H1' CPN 9 -12.588 3.115 2.365 0.00 0.00 ATOM 239 C2' CPN 9 -14.669 2.825 2.453 0.00 0.00 ATOM 240 1H2' CPN 9 -14.493 2.230 3.354 0.00 0.00 ATOM 241 2H2' CPN 9 -15.543 3.418 2.718 0.00 0.00 ATOM 242 C3' CPN 9 -14.963 1.889 1.435 0.00 0.00 ATOM 243 1H3' CPN 9 -14.177 1.158 1.365 0.00 0.00 ATOM 244 2H3' CPN 9 -15.732 1.264 1.890 0.00 0.00 ATOM 245 N4' CPN 9 -15.601 2.380 0.313 0.00 0.00 ATOM 246 C7' CPN 9 -15.126 2.213 -0.837 0.00 0.00 ATOM 247 O7' CPN 9 -15.829 2.451 -1.795 0.00 0.00 ATOM 248 C8' CPN 9 -13.697 1.776 -0.932 0.00 0.00 ATOM 249 1H8' CPN 9 -13.089 2.678 -1.025 0.00 0.00 ATOM 250 2H8' CPN 9 -13.248 1.203 -0.142 0.00 0.00 ATOM 251 N1 CPN 9 -13.537 0.939 -2.071 0.00 0.00 ATOM 252 C6 CPN 9 -12.785 1.405 -3.071 0.00 0.00 ATOM 253 H6 CPN 9 -12.309 2.380 -3.018 0.00 0.00 ATOM 254 C5 CPN 9 -12.614 0.632 -4.140 0.00 0.00 ATOM 255 H5 CPN 9 -12.000 0.976 -4.959 0.00 0.00 ATOM 256 C4 CPN 9 -13.253 -0.614 -4.136 0.00 0.00 ATOM 257 N4 CPN 9 -13.115 -1.394 -5.141 0.00 0.00 ATOM 258 H41 CPN 9 -12.532 -1.123 -5.914 0.00 0.00 ATOM 259 H42 CPN 9 -13.563 -2.298 -5.105 0.00 0.00 ATOM 260 N3 CPN 9 -14.011 -1.060 -3.184 0.00 0.00 ATOM 261 C2 CPN 9 -14.175 -0.285 -2.127 0.00 0.00 ATOM 262 O2 CPN 9 -14.882 -0.712 -1.232 0.00 0.00 ATOM 263 C5' CPN 9 -16.875 2.960 0.436 0.00 0.00 ATOM 264 1H5' CPN 9 -16.978 3.818 -0.231 0.00 0.00 ATOM 265 2H5' CPN 9 -17.049 3.341 1.440 0.00 0.00 ATOM 266 C' CPN 9 -17.876 2.056 0.153 0.00 0.00 ATOM 267 O1' CPN 9 -18.841 2.146 0.568 0.00 0.00 ATOM 268 N NME 10 -17.928 1.088 -0.440 0.00 0.00 ATOM 269 H NME 10 -17.097 0.807 -0.940 0.00 0.00 ATOM 270 CH3 NME 10 -19.107 0.310 -0.611 0.00 0.00 ATOM 271 1HH3 NME 10 -19.901 0.876 -1.108 0.00 0.00 ATOM 272 2HH3 NME 10 -19.472 -0.098 0.337 0.00 0.00 ATOM 273 3HH3 NME 10 -18.875 -0.541 -1.253 0.00 0.00 ATOM 274 1HH3 ACE 11 -19.988 -7.322 -2.828 0.00 0.00 ATOM 275 CH3 ACE 11 -20.264 -8.256 -2.277 0.00 0.00 ATOM 276 2HH3 ACE 11 -21.294 -8.346 -2.660 0.00 0.00 ATOM 277 3HH3 ACE 11 -19.949 -9.156 -2.829 0.00 0.00 ATOM 278 C ACE 11 -20.406 -8.376 -1.124 0.00 0.00 ATOM 279 O ACE 11 -20.564 -7.399 -0.884 0.00 0.00 ATOM 280 N1' GPN 12 -19.470 -8.285 -0.769 0.00 0.00 ATOM 281 H1' GPN 12 -18.991 -7.412 -0.976 0.00 0.00 ATOM 282 C2' GPN 12 -18.972 -9.304 -0.594 0.00 0.00 ATOM 283 1H2' GPN 12 -19.544 -10.008 0.046 0.00 0.00 ATOM 284 2H2' GPN 12 -18.610 -9.893 -1.480 0.00 0.00 ATOM 285 C3' GPN 12 -18.350 -8.534 0.173 0.00 0.00 ATOM 286 1H3' GPN 12 -18.126 -7.404 0.291 0.00 0.00 ATOM 287 2H3' GPN 12 -18.506 -8.859 1.216 0.00 0.00 ATOM 288 N4' GPN 12 -17.234 -8.884 -0.359 0.00 0.00 ATOM 289 C7' GPN 12 -16.737 -8.399 -1.389 0.00 0.00 ATOM 290 O7' GPN 12 -15.572 -8.580 -1.433 0.00 0.00 ATOM 291 C8' GPN 12 -17.567 -7.765 -2.438 0.00 0.00 ATOM 292 1H8' GPN 12 -18.183 -6.958 -2.064 0.00 0.00 ATOM 293 2H8' GPN 12 -18.036 -8.529 -3.049 0.00 0.00 ATOM 294 N9 GPN 12 -16.764 -7.077 -3.278 0.00 0.00 ATOM 295 C8 GPN 12 -16.332 -7.466 -4.463 0.00 0.00 ATOM 296 H8 GPN 12 -16.565 -8.425 -4.914 0.00 0.00 ATOM 297 N7 GPN 12 -15.610 -6.568 -5.019 0.00 0.00 ATOM 298 C5 GPN 12 -15.599 -5.553 -4.090 0.00 0.00 ATOM 299 C6 GPN 12 -14.986 -4.302 -4.127 0.00 0.00 ATOM 300 O6 GPN 12 -14.318 -3.822 -5.012 0.00 0.00 ATOM 301 N1 GPN 12 -15.195 -3.563 -3.018 0.00 0.00 ATOM 302 H1 GPN 12 -14.749 -2.666 -2.997 0.00 0.00 ATOM 303 C2 GPN 12 -15.919 -3.974 -1.970 0.00 0.00 ATOM 304 N2 GPN 12 -16.016 -3.174 -0.966 0.00 0.00 ATOM 305 H21 GPN 12 -16.573 -3.475 -0.190 0.00 0.00 ATOM 306 H22 GPN 12 -15.547 -2.278 -0.945 0.00 0.00 ATOM 307 N3 GPN 12 -16.523 -5.139 -1.870 0.00 0.00 ATOM 308 C4 GPN 12 -16.311 -5.867 -2.988 0.00 0.00 ATOM 309 C5' GPN 12 -16.616 -9.761 0.478 0.00 0.00 ATOM 310 1H5' GPN 12 -15.991 -10.449 -0.097 0.00 0.00 ATOM 311 2H5' GPN 12 -17.298 -10.429 1.018 0.00 0.00 ATOM 312 C' GPN 12 -15.819 -9.148 1.383 0.00 0.00 ATOM 313 O1' GPN 12 -15.116 -9.763 2.118 0.00 0.00 ATOM 314 N1' GPN 13 -15.911 -7.956 1.401 0.00 0.00 ATOM 315 H1' GPN 13 -16.488 -7.400 0.785 0.00 0.00 ATOM 316 C2' GPN 13 -15.350 -7.511 2.483 0.00 0.00 ATOM 317 1H2' GPN 13 -16.048 -6.795 2.931 0.00 0.00 ATOM 318 2H2' GPN 13 -14.995 -8.092 3.345 0.00 0.00 ATOM 319 C3' GPN 13 -14.406 -6.844 1.925 0.00 0.00 ATOM 320 1H3' GPN 13 -14.886 -6.105 1.296 0.00 0.00 ATOM 321 2H3' GPN 13 -14.171 -6.156 2.737 0.00 0.00 ATOM 322 N4' GPN 13 -13.110 -7.243 1.620 0.00 0.00 ATOM 323 C7' GPN 13 -12.545 -6.549 0.644 0.00 0.00 ATOM 324 O7' GPN 13 -11.326 -6.543 0.542 0.00 0.00 ATOM 325 C8' GPN 13 -13.417 -5.784 -0.364 0.00 0.00 ATOM 326 1H8' GPN 13 -14.057 -6.477 -0.907 0.00 0.00 ATOM 327 2H8' GPN 13 -14.021 -5.018 0.116 0.00 0.00 ATOM 328 N9 GPN 13 -12.609 -5.025 -1.293 0.00 0.00 ATOM 329 C8 GPN 13 -12.128 -5.419 -2.500 0.00 0.00 ATOM 330 H8 GPN 13 -12.320 -6.399 -2.923 0.00 0.00 ATOM 331 N7 GPN 13 -11.421 -4.506 -3.097 0.00 0.00 ATOM 332 C5 GPN 13 -11.439 -3.436 -2.202 0.00 0.00 ATOM 333 C6 GPN 13 -10.838 -2.141 -2.271 0.00 0.00 ATOM 334 O6 GPN 13 -10.157 -1.642 -3.161 0.00 0.00 ATOM 335 N1 GPN 13 -11.066 -1.368 -1.162 0.00 0.00 ATOM 336 H1 GPN 13 -10.620 -0.463 -1.171 0.00 0.00 ATOM 337 C2 GPN 13 -11.797 -1.771 -0.094 0.00 0.00 ATOM 338 N2 GPN 13 -11.902 -0.944 0.913 0.00 0.00 ATOM 339 H21 GPN 13 -12.457 -1.256 1.691 0.00 0.00 ATOM 340 H22 GPN 13 -11.411 -0.056 0.942 0.00 0.00 ATOM 341 N3 GPN 13 -12.390 -2.960 0.013 0.00 0.00 ATOM 342 C4 GPN 13 -12.166 -3.751 -1.081 0.00 0.00 ATOM 343 C5' GPN 13 -12.316 -8.009 2.555 0.00 0.00 ATOM 344 1H5' GPN 13 -11.393 -8.351 2.085 0.00 0.00 ATOM 345 2H5' GPN 13 -12.865 -8.910 2.827 0.00 0.00 ATOM 346 C' GPN 13 -11.946 -7.300 3.823 0.00 0.00 ATOM 347 O1' GPN 13 -11.766 -7.962 4.761 0.00 0.00 ATOM 348 N1' CPN 14 -11.862 -6.028 4.040 0.00 0.00 ATOM 349 H1' CPN 14 -12.045 -5.411 3.260 0.00 0.00 ATOM 350 C2' CPN 14 -11.717 -5.447 5.382 0.00 0.00 ATOM 351 1H2' CPN 14 -12.705 -5.174 5.760 0.00 0.00 ATOM 352 2H2' CPN 14 -11.276 -6.140 6.099 0.00 0.00 ATOM 353 C3' CPN 14 -10.876 -4.195 5.319 0.00 0.00 ATOM 354 1H3' CPN 14 -11.360 -3.476 4.664 0.00 0.00 ATOM 355 2H3' CPN 14 -10.851 -3.757 6.314 0.00 0.00 ATOM 356 N4' CPN 14 -9.506 -4.490 4.902 0.00 0.00 ATOM 357 C7' CPN 14 -8.996 -4.200 3.693 0.00 0.00 ATOM 358 O7' CPN 14 -7.811 -4.415 3.443 0.00 0.00 ATOM 359 C8' CPN 14 -9.887 -3.571 2.617 0.00 0.00 ATOM 360 1H8' CPN 14 -10.669 -4.277 2.341 0.00 0.00 ATOM 361 2H8' CPN 14 -10.365 -2.678 3.017 0.00 0.00 ATOM 362 N1 CPN 14 -9.120 -3.203 1.406 0.00 0.00 ATOM 363 C6 CPN 14 -9.005 -4.087 0.372 0.00 0.00 ATOM 364 H6 CPN 14 -9.479 -5.057 0.425 0.00 0.00 ATOM 365 C5 CPN 14 -8.295 -3.744 -0.720 0.00 0.00 ATOM 366 H5 CPN 14 -8.207 -4.436 -1.544 0.00 0.00 ATOM 367 C4 CPN 14 -7.686 -2.466 -0.720 0.00 0.00 ATOM 368 N4 CPN 14 -6.988 -2.076 -1.742 0.00 0.00 ATOM 369 H41 CPN 14 -6.883 -2.673 -2.544 0.00 0.00 ATOM 370 H42 CPN 14 -6.534 -1.172 -1.677 0.00 0.00 ATOM 371 N3 CPN 14 -7.763 -1.615 0.278 0.00 0.00 ATOM 372 C2 CPN 14 -8.464 -1.979 1.362 0.00 0.00 ATOM 373 O2 CPN 14 -8.500 -1.182 2.296 0.00 0.00 ATOM 374 C5' CPN 14 -8.674 -5.183 5.894 0.00 0.00 ATOM 375 1H5' CPN 14 -7.799 -5.637 5.428 0.00 0.00 ATOM 376 2H5' CPN 14 -9.230 -6.008 6.335 0.00 0.00 ATOM 377 C' CPN 14 -8.178 -4.312 7.023 0.00 0.00 ATOM 378 O1' CPN 14 -7.866 -4.831 8.058 0.00 0.00 ATOM 379 N1' APN 15 -8.128 -3.005 6.949 0.00 0.00 ATOM 380 H1' APN 15 -8.437 -2.567 6.091 0.00 0.00 ATOM 381 C2' APN 15 -7.831 -2.158 8.111 0.00 0.00 ATOM 382 1H2' APN 15 -8.752 -1.676 8.445 0.00 0.00 ATOM 383 2H2' APN 15 -7.437 -2.729 8.953 0.00 0.00 ATOM 384 C3' APN 15 -6.835 -1.075 7.757 0.00 0.00 ATOM 385 1H3' APN 15 -7.234 -0.473 6.945 0.00 0.00 ATOM 386 2H3' APN 15 -6.732 -0.424 8.623 0.00 0.00 ATOM 387 N4' APN 15 -5.536 -1.656 7.431 0.00 0.00 ATOM 388 C7' APN 15 -5.072 -1.835 6.181 0.00 0.00 ATOM 389 O7' APN 15 -3.996 -2.398 5.976 0.00 0.00 ATOM 390 C8' APN 15 -5.899 -1.332 4.993 0.00 0.00 ATOM 391 1H8' APN 15 -6.819 -1.910 4.916 0.00 0.00 ATOM 392 2H8' APN 15 -6.166 -0.288 5.151 0.00 0.00 ATOM 393 N9 APN 15 -5.173 -1.426 3.717 0.00 0.00 ATOM 394 C8 APN 15 -5.316 -2.351 2.720 0.00 0.00 ATOM 395 H8 APN 15 -5.975 -3.202 2.791 0.00 0.00 ATOM 396 N7 APN 15 -4.615 -2.099 1.654 0.00 0.00 ATOM 397 C5 APN 15 -3.910 -0.948 2.008 0.00 0.00 ATOM 398 C6 APN 15 -2.957 -0.131 1.368 0.00 0.00 ATOM 399 N6 APN 15 -2.528 -0.301 0.140 0.00 0.00 ATOM 400 H61 APN 15 -1.828 0.341 -0.216 0.00 0.00 ATOM 401 H62 APN 15 -2.907 -1.043 -0.427 0.00 0.00 ATOM 402 N1 APN 15 -2.394 0.895 2.000 0.00 0.00 ATOM 403 C2 APN 15 -2.771 1.136 3.246 0.00 0.00 ATOM 404 H2 APN 15 -2.305 1.986 3.730 0.00 0.00 ATOM 405 N3 APN 15 -3.666 0.477 3.971 0.00 0.00 ATOM 406 C4 APN 15 -4.204 -0.564 3.284 0.00 0.00 ATOM 407 C5' APN 15 -4.688 -1.987 8.585 0.00 0.00 ATOM 408 1H5' APN 15 -4.004 -2.802 8.346 0.00 0.00 ATOM 409 2H5' APN 15 -5.300 -2.329 9.420 0.00 0.00 ATOM 410 C' APN 15 -3.892 -0.792 9.053 0.00 0.00 ATOM 411 O1' APN 15 -4.209 0.325 8.808 0.00 0.00 ATOM 412 N1' TPN 16 -2.830 -0.938 9.770 0.00 0.00 ATOM 413 H1' TPN 16 -2.519 -1.883 9.964 0.00 0.00 ATOM 414 C2' TPN 16 -2.207 0.156 10.519 0.00 0.00 ATOM 415 1H2' TPN 16 -2.976 0.828 10.906 0.00 0.00 ATOM 416 2H2' TPN 16 -1.685 -0.252 11.385 0.00 0.00 ATOM 417 C3' TPN 16 -1.240 0.986 9.682 0.00 0.00 ATOM 418 1H3' TPN 16 -1.788 1.485 8.889 0.00 0.00 ATOM 419 2H3' TPN 16 -0.828 1.765 10.322 0.00 0.00 ATOM 420 N4' TPN 16 -0.142 0.175 9.176 0.00 0.00 ATOM 421 C7' TPN 16 0.017 -0.184 7.893 0.00 0.00 ATOM 422 O7' TPN 16 1.013 -0.813 7.532 0.00 0.00 ATOM 423 C8' TPN 16 -1.041 0.221 6.870 0.00 0.00 ATOM 424 1H8' TPN 16 -1.983 -0.263 7.121 0.00 0.00 ATOM 425 2H8' TPN 16 -1.198 1.298 6.907 0.00 0.00 ATOM 426 N1 TPN 16 -0.652 -0.163 5.500 0.00 0.00 ATOM 427 C6 TPN 16 -1.071 -1.363 4.986 0.00 0.00 ATOM 428 H6 TPN 16 -1.684 -2.022 5.584 0.00 0.00 ATOM 429 C5 TPN 16 -0.732 -1.718 3.727 0.00 0.00 ATOM 430 C7 TPN 16 -1.278 -3.003 3.153 0.00 0.00 ATOM 431 H71 TPN 16 -1.786 -2.797 2.212 0.00 0.00 ATOM 432 H72 TPN 16 -1.976 -3.477 3.843 0.00 0.00 ATOM 433 H73 TPN 16 -0.451 -3.683 2.949 0.00 0.00 ATOM 434 C4 TPN 16 0.124 -0.861 2.918 0.00 0.00 ATOM 435 O4 TPN 16 0.523 -1.083 1.783 0.00 0.00 ATOM 436 N3 TPN 16 0.496 0.310 3.509 0.00 0.00 ATOM 437 H3 TPN 16 1.052 0.943 2.957 0.00 0.00 ATOM 438 C2 TPN 16 0.137 0.715 4.756 0.00 0.00 ATOM 439 O2 TPN 16 0.492 1.821 5.137 0.00 0.00 ATOM 440 C5' TPN 16 0.861 -0.221 10.169 0.00 0.00 ATOM 441 1H5' TPN 16 1.251 -1.212 9.933 0.00 0.00 ATOM 442 2H5' TPN 16 0.407 -0.293 11.156 0.00 0.00 ATOM 443 C' TPN 16 2.034 0.730 10.292 0.00 0.00 ATOM 444 O1' TPN 16 2.941 0.457 11.067 0.00 0.00 ATOM 445 N1' GPN 17 2.040 1.856 9.589 0.00 0.00 ATOM 446 H1' GPN 17 1.264 2.029 8.964 0.00 0.00 ATOM 447 C2' GPN 17 2.993 2.937 9.823 0.00 0.00 ATOM 448 1H2' GPN 17 2.433 3.847 10.050 0.00 0.00 ATOM 449 2H2' GPN 17 3.625 2.737 10.688 0.00 0.00 ATOM 450 C3' GPN 17 3.849 3.223 8.602 0.00 0.00 ATOM 451 1H3' GPN 17 3.198 3.466 7.770 0.00 0.00 ATOM 452 2H3' GPN 17 4.435 4.117 8.812 0.00 0.00 ATOM 453 N4' GPN 17 4.763 2.134 8.309 0.00 0.00 ATOM 454 C7' GPN 17 4.616 1.233 7.335 0.00 0.00 ATOM 455 O7' GPN 17 5.431 0.320 7.188 0.00 0.00 ATOM 456 C8' GPN 17 3.423 1.346 6.397 0.00 0.00 ATOM 457 1H8' GPN 17 2.534 0.967 6.892 0.00 0.00 ATOM 458 2H8' GPN 17 3.245 2.384 6.122 0.00 0.00 ATOM 459 N9 GPN 17 3.672 0.611 5.154 0.00 0.00 ATOM 460 C8 GPN 17 3.299 -0.661 4.819 0.00 0.00 ATOM 461 H8 GPN 17 2.660 -1.271 5.448 0.00 0.00 ATOM 462 N7 GPN 17 3.788 -1.070 3.682 0.00 0.00 ATOM 463 C5 GPN 17 4.557 0.010 3.246 0.00 0.00 ATOM 464 C6 GPN 17 5.380 0.185 2.086 0.00 0.00 ATOM 465 O6 GPN 17 5.618 -0.595 1.169 0.00 0.00 ATOM 466 N1 GPN 17 5.980 1.417 2.014 0.00 0.00 ATOM 467 H1 GPN 17 6.553 1.571 1.197 0.00 0.00 ATOM 468 C2 GPN 17 5.827 2.391 2.945 0.00 0.00 ATOM 469 N2 GPN 17 6.461 3.519 2.753 0.00 0.00 ATOM 470 H21 GPN 17 6.306 4.243 3.433 0.00 0.00 ATOM 471 H22 GPN 17 7.076 3.669 1.960 0.00 0.00 ATOM 472 N3 GPN 17 5.098 2.268 4.053 0.00 0.00 ATOM 473 C4 GPN 17 4.479 1.051 4.141 0.00 0.00 ATOM 474 C5' GPN 17 5.890 2.023 9.200 0.00 0.00 ATOM 475 1H5' GPN 17 6.297 1.012 9.216 0.00 0.00 ATOM 476 2H5' GPN 17 5.573 2.222 10.223 0.00 0.00 ATOM 477 C' GPN 17 6.999 2.953 8.897 0.00 0.00 ATOM 478 O1' GPN 17 7.817 3.062 9.660 0.00 0.00 ATOM 479 N1' CPN 18 7.202 3.724 7.928 0.00 0.00 ATOM 480 H1' CPN 18 6.503 3.728 7.195 0.00 0.00 ATOM 481 C2' CPN 18 8.257 4.742 7.877 0.00 0.00 ATOM 482 1H2' CPN 18 7.784 5.722 7.778 0.00 0.00 ATOM 483 2H2' CPN 18 8.890 4.795 8.765 0.00 0.00 ATOM 484 C3' CPN 18 9.119 4.534 6.671 0.00 0.00 ATOM 485 1H3' CPN 18 8.507 4.548 5.777 0.00 0.00 ATOM 486 2H3' CPN 18 9.789 5.389 6.592 0.00 0.00 ATOM 487 N4' CPN 18 9.917 3.344 6.807 0.00 0.00 ATOM 488 C7' CPN 18 9.622 2.153 6.297 0.00 0.00 ATOM 489 O7' CPN 18 10.359 1.189 6.476 0.00 0.00 ATOM 490 C8' CPN 18 8.361 1.995 5.464 0.00 0.00 ATOM 491 1H8' CPN 18 7.512 1.833 6.126 0.00 0.00 ATOM 492 2H8' CPN 18 8.169 2.880 4.867 0.00 0.00 ATOM 493 N1 CPN 18 8.476 0.877 4.520 0.00 0.00 ATOM 494 C6 CPN 18 7.766 -0.262 4.732 0.00 0.00 ATOM 495 H6 CPN 18 7.119 -0.358 5.594 0.00 0.00 ATOM 496 C5 CPN 18 7.868 -1.272 3.849 0.00 0.00 ATOM 497 H5 CPN 18 7.301 -2.179 4.001 0.00 0.00 ATOM 498 C4 CPN 18 8.734 -1.085 2.747 0.00 0.00 ATOM 499 N4 CPN 18 8.882 -2.019 1.861 0.00 0.00 ATOM 500 H41 CPN 18 8.370 -2.882 1.940 0.00 0.00 ATOM 501 H42 CPN 18 9.515 -1.833 1.090 0.00 0.00 ATOM 502 N3 CPN 18 9.448 -0.002 2.548 0.00 0.00 ATOM 503 C2 CPN 18 9.332 0.995 3.434 0.00 0.00 ATOM 504 O2 CPN 18 10.001 2.004 3.229 0.00 0.00 ATOM 505 C5' CPN 18 11.090 3.508 7.634 0.00 0.00 ATOM 506 1H5' CPN 18 11.204 2.645 8.292 0.00 0.00 ATOM 507 2H5' CPN 18 10.984 4.379 8.281 0.00 0.00 ATOM 508 C' CPN 18 12.336 3.681 6.882 0.00 0.00 ATOM 509 O1' CPN 18 13.353 3.652 7.454 0.00 0.00 ATOM 510 N1' CPN 19 12.372 3.870 5.630 0.00 0.00 ATOM 511 H1' CPN 19 11.503 3.878 5.110 0.00 0.00 ATOM 512 C2' CPN 19 13.553 4.342 5.025 0.00 0.00 ATOM 513 1H2' CPN 19 13.270 5.222 4.442 0.00 0.00 ATOM 514 2H2' CPN 19 14.290 4.732 5.730 0.00 0.00 ATOM 515 C3' CPN 19 14.142 3.452 4.109 0.00 0.00 ATOM 516 1H3' CPN 19 13.509 3.271 3.257 0.00 0.00 ATOM 517 2H3' CPN 19 14.887 4.071 3.608 0.00 0.00 ATOM 518 N4' CPN 19 14.894 2.470 4.680 0.00 0.00 ATOM 519 C7' CPN 19 14.663 1.257 4.438 0.00 0.00 ATOM 520 O7' CPN 19 15.472 0.412 4.761 0.00 0.00 ATOM 521 C8' CPN 19 13.360 0.934 3.807 0.00 0.00 ATOM 522 1H8' CPN 19 12.743 0.552 4.621 0.00 0.00 ATOM 523 2H8' CPN 19 12.726 1.684 3.368 0.00 0.00 ATOM 524 N1 CPN 19 13.535 -0.069 2.820 0.00 0.00 ATOM 525 C6 CPN 19 12.953 -1.241 3.075 0.00 0.00 ATOM 526 H6 CPN 19 12.360 -1.404 3.970 0.00 0.00 ATOM 527 C5 CPN 19 13.092 -2.217 2.189 0.00 0.00 ATOM 528 H5 CPN 19 12.617 -3.172 2.359 0.00 0.00 ATOM 529 C4 CPN 19 13.865 -1.942 1.058 0.00 0.00 ATOM 530 N4 CPN 19 14.025 -2.850 0.177 0.00 0.00 ATOM 531 H41 CPN 19 13.577 -3.744 0.284 0.00 0.00 ATOM 532 H42 CPN 19 14.567 -2.620 -0.644 0.00 0.00 ATOM 533 N3 CPN 19 14.471 -0.823 0.821 0.00 0.00 ATOM 534 C2 CPN 19 14.326 0.141 1.708 0.00 0.00 ATOM 535 O2 CPN 19 14.892 1.192 1.475 0.00 0.00 ATOM 536 C5' CPN 19 16.058 2.871 5.380 0.00 0.00 ATOM 537 1H5' CPN 19 16.002 2.500 6.406 0.00 0.00 ATOM 538 2H5' CPN 19 16.165 3.955 5.419 0.00 0.00 ATOM 539 C' CPN 19 17.173 2.388 4.795 0.00 0.00 ATOM 540 O1' CPN 19 18.167 2.415 5.364 0.00 0.00 ATOM 541 N NME 20 17.086 1.954 3.667 0.00 0.00 ATOM 542 H NME 20 16.222 1.949 3.149 0.00 0.00 ATOM 543 CH3 NME 20 18.096 1.231 3.270 0.00 0.00 ATOM 544 1HH3 NME 20 18.994 1.840 3.127 0.00 0.00 ATOM 545 2HH3 NME 20 17.853 0.782 2.305 0.00 0.00 ATOM 546 3HH3 NME 20 18.309 0.408 3.960 0.00 0.00 # 546 atoms read from pdb file sa1.pdb.
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