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*** ***elNémo ID: 240504004523197781Job options:ID = 240504004523197781 JOBID = USERID = unknown PRIVAT = 0 NMODES = 10 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = -1 CUTOFF = 10 CAONLY = 0 Input data for this run:CRYST1 0.000 0.000 0.000 90.00 90.00 90.00 P 1 1 ATOM 1 CA SER A 96 114.059 74.731 -36.363 1.00 36.64 C ATOM 2 CA VAL A 97 112.126 77.538 -34.692 1.00 26.49 C ATOM 3 CA PRO A 98 109.455 79.821 -36.217 1.00 26.81 C ATOM 4 CA SER A 99 110.490 83.493 -36.350 1.00 24.41 C ATOM 5 CA GLN A 100 108.759 85.767 -33.823 1.00 23.94 C ATOM 6 CA LYS A 101 110.014 89.059 -35.264 1.00 22.43 C ATOM 7 CA THR A 102 107.323 91.744 -35.442 1.00 20.29 C ATOM 8 CA TYR A 103 106.754 92.679 -39.094 1.00 18.05 C ATOM 9 CA GLN A 104 103.972 95.014 -40.216 1.00 15.77 C ATOM 10 CA GLY A 105 104.755 94.430 -43.881 1.00 18.87 C ATOM 11 CA SER A 106 103.239 96.215 -46.869 1.00 20.10 C ATOM 12 CA TYR A 107 99.727 96.140 -45.425 1.00 14.01 C ATOM 13 CA GLY A 108 100.554 97.571 -41.968 1.00 14.66 C ATOM 14 CA PHE A 109 99.476 94.421 -40.172 1.00 13.18 C ATOM 15 CA ARG A 110 99.241 94.357 -36.354 1.00 12.42 C ATOM 16 CA LEU A 111 97.107 92.867 -33.566 1.00 12.50 C ATOM 17 CA GLY A 112 94.700 94.619 -31.212 1.00 13.17 C ATOM 18 CA PHE A 113 93.121 93.542 -27.932 1.00 11.37 C ATOM 19 CA LEU A 114 89.963 94.533 -26.060 1.00 17.21 C ATOM 20 CA HIS A 115 90.188 96.252 -22.670 1.00 16.89 C ATOM 21 CA SER A 116 88.640 93.729 -20.290 1.00 22.34 C ATOM 22 CA GLY A 117 90.140 94.778 -16.976 1.00 22.67 C ATOM 23 CA THR A 118 91.360 92.603 -14.120 1.00 23.93 C ATOM 24 CA ALA A 119 88.237 91.776 -12.106 1.00 31.64 C ATOM 25 CA LYS A 120 88.587 88.402 -10.390 1.00 37.49 C ATOM 26 CA SER A 121 85.814 87.160 -12.687 1.00 34.37 C ATOM 27 CA VAL A 122 87.339 88.136 -16.035 1.00 24.22 C ATOM 28 CA THR A 123 87.897 85.221 -18.457 1.00 16.59 C ATOM 29 CA CYS A 124 90.334 86.847 -20.885 1.00 15.12 C ATOM 30 CA THR A 125 92.454 89.939 -20.322 1.00 11.08 C ATOM 31 CA TYR A 126 95.403 91.458 -22.144 1.00 9.47 C ATOM 32 CA SER A 127 98.346 93.307 -20.581 1.00 13.04 C ATOM 33 CA PRO A 128 100.011 95.821 -22.922 1.00 13.36 C ATOM 34 CA ALA A 129 102.821 96.360 -20.393 1.00 17.11 C ATOM 35 CA LEU A 130 103.711 92.668 -20.492 1.00 15.91 C ATOM 36 CA ASN A 131 102.484 92.022 -24.112 1.00 12.40 C ATOM 37 CA LYS A 132 100.725 89.077 -22.497 1.00 10.19 C ATOM 38 CA MET A 133 97.257 87.568 -22.745 1.00 0.00 C ATOM 39 CA PHE A 134 95.810 85.853 -19.669 1.00 9.65 C ATOM 40 CA CYS A 135 92.818 83.559 -20.279 1.00 13.37 C ATOM 41 CA GLN A 136 90.861 80.700 -18.792 1.00 16.81 C ATOM 42 CA LEU A 137 90.793 77.241 -20.290 1.00 12.94 C ATOM 43 CA ALA A 138 88.782 77.031 -23.512 1.00 16.86 C ATOM 44 CA LYS A 139 87.278 80.497 -23.158 1.00 15.92 C ATOM 45 CA THR A 140 86.907 83.003 -25.992 1.00 14.25 C ATOM 46 CA CYS A 141 90.011 85.116 -26.695 1.00 13.80 C ATOM 47 CA PRO A 142 89.038 87.942 -29.088 1.00 12.42 C ATOM 48 CA VAL A 143 92.018 89.054 -31.160 1.00 11.54 C ATOM 49 CA GLN A 144 91.691 92.020 -33.489 1.00 13.47 C ATOM 50 CA LEU A 145 93.446 92.143 -36.872 1.00 11.67 C ATOM 51 CA TRP A 146 94.349 95.691 -37.993 1.00 15.00 C ATOM 52 CA VAL A 147 95.718 96.691 -41.409 1.00 14.33 C ATOM 53 CA ASP A 148 96.370 100.050 -43.095 1.00 19.21 C ATOM 54 CA SER A 149 95.269 98.669 -46.471 1.00 22.66 C ATOM 55 CA THR A 150 93.315 95.573 -47.464 1.00 20.63 C ATOM 56 CA PRO A 151 95.457 92.589 -48.483 1.00 15.84 C ATOM 57 CA PRO A 152 94.640 90.495 -51.570 1.00 18.76 C ATOM 58 CA PRO A 153 91.783 87.996 -51.687 1.00 21.07 C ATOM 59 CA GLY A 154 93.225 84.629 -50.687 1.00 15.73 C ATOM 60 CA THR A 155 95.226 86.170 -47.840 1.00 13.77 C ATOM 61 CA ARG A 156 95.125 84.032 -44.685 1.00 13.39 C ATOM 62 CA VAL A 157 95.845 84.422 -40.947 1.00 10.21 C ATOM 63 CA ARG A 158 97.720 81.718 -39.069 1.00 10.79 C ATOM 64 CA ALA A 159 98.203 81.174 -35.336 1.00 8.58 C ATOM 65 CA MET A 160 100.943 78.975 -33.841 1.00 10.45 C ATOM 66 CA ALA A 161 102.336 78.561 -30.340 1.00 10.16 C ATOM 67 CA ILE A 162 105.999 78.135 -29.418 1.00 12.02 C ATOM 68 CA TYR A 163 107.739 77.975 -26.036 1.00 12.89 C ATOM 69 CA LYS A 164 109.064 81.376 -24.962 1.00 15.95 C ATOM 70 CA GLN A 165 112.193 80.035 -23.259 1.00 22.13 C ATOM 71 CA SER A 166 115.004 79.458 -25.745 1.00 22.07 C ATOM 72 CA GLN A 167 115.922 76.086 -24.219 1.00 21.02 C ATOM 73 CA HIS A 168 112.427 74.800 -24.991 1.00 20.50 C ATOM 74 CA MET A 169 111.894 76.501 -28.347 1.00 20.09 C ATOM 75 CA THR A 170 112.420 73.396 -30.461 1.00 20.88 C ATOM 76 CA GLU A 171 109.764 71.416 -28.596 1.00 18.87 C ATOM 77 CA VAL A 172 106.373 71.318 -30.292 1.00 12.60 C ATOM 78 CA VAL A 173 103.697 72.989 -28.124 1.00 11.00 C ATOM 79 CA ARG A 174 100.819 70.512 -27.832 1.00 12.32 C ATOM 80 CA ARG A 175 97.993 69.599 -25.473 1.00 10.67 C ATOM 81 CA CYS A 176 98.952 67.473 -22.443 1.00 13.27 C ATOM 82 CA PRO A 177 98.397 63.716 -22.149 1.00 13.99 C ATOM 83 CA HIS A 178 95.117 64.314 -20.344 1.00 16.58 C ATOM 84 CA HIS A 179 93.511 66.935 -22.554 1.00 14.03 C ATOM 85 CA GLU A 180 94.485 65.346 -25.871 1.00 13.03 C ATOM 86 CA ARG A 181 92.299 62.410 -24.767 1.00 16.94 C ATOM 87 CA ACYS A 182 89.244 64.166 -23.370 0.50 23.95 C ATOM 88 CA BCYS A 182 89.255 64.305 -23.394 0.50 24.88 C ATOM 89 CA SER A 183 87.252 63.909 -26.621 1.00 35.35 C ATOM 90 CA ASP A 184 86.272 67.575 -26.546 1.00 28.47 C ATOM 91 CA SER A 185 86.918 68.163 -30.237 1.00 33.18 C ATOM 92 CA ASP A 186 84.572 70.563 -32.015 1.00 36.92 C ATOM 93 CA GLY A 187 84.653 68.291 -35.040 1.00 33.85 C ATOM 94 CA LEU A 188 87.379 70.181 -36.899 1.00 24.60 C ATOM 95 CA ALA A 189 90.302 70.735 -34.528 1.00 15.97 C ATOM 96 CA PRO A 190 92.536 67.691 -33.981 1.00 15.50 C ATOM 97 CA PRO A 191 92.457 66.832 -30.248 1.00 13.13 C ATOM 98 CA GLN A 192 96.230 67.431 -29.954 1.00 12.38 C ATOM 99 CA HIS A 193 96.026 71.110 -30.947 1.00 10.21 C ATOM 100 CA LEU A 194 96.372 73.747 -28.243 1.00 9.75 C ATOM 101 CA ILE A 195 94.920 76.609 -30.258 1.00 8.34 C ATOM 102 CA ARG A 196 91.490 76.474 -31.872 1.00 10.76 C ATOM 103 CA VAL A 197 89.482 79.077 -33.778 1.00 12.21 C ATOM 104 CA GLU A 198 85.828 79.440 -32.682 1.00 17.97 C ATOM 105 CA GLY A 199 82.898 79.722 -35.066 1.00 24.72 C ATOM 106 CA ASN A 200 84.656 79.724 -38.417 1.00 21.53 C ATOM 107 CA LEU A 201 83.834 76.741 -40.600 1.00 24.97 C ATOM 108 CA ARG A 202 86.701 77.689 -42.935 1.00 21.10 C ATOM 109 CA VAL A 203 89.346 77.145 -40.308 1.00 0.00 C ATOM 110 CA AGLU A 204 92.036 74.691 -41.291 0.50 15.25 C ATOM 111 CA BGLU A 204 92.067 74.717 -41.321 0.50 15.89 C ATOM 112 CA TYR A 205 94.299 72.848 -38.876 1.00 12.82 C ATOM 113 CA LEU A 206 97.817 71.973 -39.934 1.00 16.56 C ATOM 114 CA ASP A 207 100.274 69.387 -38.636 1.00 20.03 C ATOM 115 CA ASP A 208 103.453 70.399 -40.441 1.00 22.95 C ATOM 116 CA ARG A 209 104.810 67.311 -42.185 1.00 31.40 C ATOM 117 CA ASN A 210 108.335 68.665 -41.686 1.00 32.52 C ATOM 118 CA THR A 211 108.400 70.471 -38.332 1.00 25.00 C ATOM 119 CA PHE A 212 105.517 68.584 -36.718 1.00 19.51 C ATOM 120 CA ARG A 213 104.314 71.928 -35.353 1.00 16.25 C ATOM 121 CA HIS A 214 100.586 72.646 -35.092 1.00 11.94 C ATOM 122 CA SER A 215 98.777 75.729 -36.365 1.00 12.03 C ATOM 123 CA VAL A 216 95.314 76.917 -37.259 1.00 10.78 C ATOM 124 CA VAL A 217 94.651 79.202 -40.215 1.00 10.83 C ATOM 125 CA VAL A 218 91.612 81.058 -41.519 1.00 13.95 C ATOM 126 CA PRO A 219 90.949 83.245 -44.544 1.00 16.03 C ATOM 127 CA TYR A 220 91.491 86.924 -43.822 1.00 15.81 C ATOM 128 CA GLU A 221 88.134 88.696 -44.035 1.00 24.69 C ATOM 129 CA PRO A 222 88.136 92.495 -44.485 1.00 24.99 C ATOM 130 CA PRO A 223 86.283 94.511 -41.837 1.00 30.26 C ATOM 131 CA GLU A 224 82.495 94.551 -42.153 1.00 40.11 C ATOM 132 CA VAL A 225 80.354 97.661 -42.569 1.00 39.23 C ATOM 133 CA GLY A 226 80.740 99.841 -39.513 1.00 39.51 C ATOM 134 CA SER A 227 83.864 98.061 -38.356 1.00 33.59 C ATOM 135 CA ASP A 228 87.453 99.191 -38.592 1.00 26.37 C ATOM 136 CA CYS A 229 89.010 95.808 -37.872 1.00 20.41 C ATOM 137 CA THR A 230 88.487 92.080 -38.157 1.00 21.52 C ATOM 138 CA THR A 231 88.305 89.862 -35.086 1.00 15.51 C ATOM 139 CA ILE A 232 89.250 86.194 -34.769 1.00 13.66 C ATOM 140 CA HIS A 233 88.051 84.300 -31.692 1.00 11.42 C ATOM 141 CA TYR A 234 90.638 81.838 -30.346 1.00 11.68 C ATOM 142 CA ASN A 235 90.456 79.196 -27.620 1.00 12.74 C ATOM 143 CA TYR A 236 93.431 77.734 -25.716 1.00 9.03 C ATOM 144 CA MET A 237 92.761 74.119 -24.779 1.00 13.44 C ATOM 145 CA CYS A 238 95.284 73.405 -21.997 1.00 15.33 C ATOM 146 CA ASN A 239 96.439 75.268 -18.904 1.00 0.00 C ATOM 147 CA SER A 240 99.987 76.604 -18.836 1.00 12.81 C ATOM 148 CA SER A 241 100.420 74.370 -15.774 1.00 17.55 C ATOM 149 CA CYS A 242 99.303 71.096 -17.418 1.00 17.37 C ATOM 150 CA MET A 243 101.678 68.302 -16.523 1.00 20.36 C ATOM 151 CA GLY A 244 103.234 66.481 -19.455 1.00 20.01 C ATOM 152 CA GLY A 245 102.164 69.396 -21.643 1.00 20.19 C ATOM 153 CA MET A 246 103.198 73.033 -21.273 1.00 16.91 C ATOM 154 CA ASN A 247 104.198 72.115 -17.720 1.00 21.50 C ATOM 155 CA ARG A 248 104.285 75.697 -16.361 1.00 19.74 C ATOM 156 CA ARG A 249 106.497 76.843 -19.242 1.00 17.12 C ATOM 157 CA PRO A 250 105.409 80.142 -20.822 1.00 15.51 C ATOM 158 CA ILE A 251 104.411 80.185 -24.469 1.00 9.97 C ATOM 159 CA LEU A 252 104.201 82.771 -27.203 1.00 12.49 C ATOM 160 CA THR A 253 101.465 82.823 -29.827 1.00 9.51 C ATOM 161 CA ILE A 254 102.711 84.010 -33.244 1.00 9.88 C ATOM 162 CA ILE A 255 100.054 85.384 -35.618 1.00 10.92 C ATOM 163 CA ATHR A 256 101.097 85.639 -39.252 0.75 13.69 C ATOM 164 CA BTHR A 256 101.100 85.612 -39.255 0.25 14.08 C ATOM 165 CA LEU A 257 99.369 87.219 -42.241 1.00 14.46 C ATOM 166 CA GLU A 258 100.229 84.973 -45.246 1.00 15.70 C ATOM 167 CA ASP A 259 99.550 85.032 -48.962 1.00 14.68 C ATOM 168 CA SER A 260 97.700 82.137 -50.633 1.00 14.17 C ATOM 169 CA SER A 261 100.975 80.156 -50.952 1.00 19.27 C ATOM 170 CA GLY A 262 101.817 80.634 -47.297 1.00 16.72 C ATOM 171 CA ASN A 263 104.456 83.332 -47.893 1.00 19.48 C ATOM 172 CA LEU A 264 104.974 85.903 -45.121 1.00 19.90 C ATOM 173 CA LEU A 265 103.077 89.214 -45.415 1.00 14.05 C ATOM 174 CA GLY A 266 102.976 90.268 -41.771 1.00 13.02 C ATOM 175 CA ARG A 267 103.738 88.990 -38.275 1.00 11.74 C ATOM 176 CA ASN A 268 102.934 89.813 -34.671 1.00 0.00 C ATOM 177 CA SER A 269 103.125 87.928 -31.401 1.00 10.90 C ATOM 178 CA PHE A 270 102.305 87.900 -27.702 1.00 0.00 C ATOM 179 CA GLU A 271 102.956 85.813 -24.636 1.00 11.72 C ATOM 180 CA VAL A 272 99.990 83.763 -23.357 1.00 11.26 C ATOM 181 CA ARG A 273 99.202 82.298 -19.936 1.00 13.17 C ATOM 182 CA VAL A 274 96.183 79.978 -19.655 1.00 13.35 C ATOM 183 CA CYS A 275 95.188 79.945 -16.002 1.00 15.25 C ATOM 184 CA ALA A 276 92.348 79.719 -13.508 1.00 19.85 C ATOM 185 CA ACYS A 277 92.239 83.409 -12.551 0.50 20.11 C ATOM 186 CA BCYS A 277 92.230 83.410 -12.572 0.50 20.01 C ATOM 187 CA PRO A 278 93.438 85.699 -15.393 1.00 18.30 C ATOM 188 CA GLY A 279 92.546 88.918 -13.587 1.00 20.59 C ATOM 189 CA ARG A 280 94.551 88.070 -10.486 1.00 23.82 C ATOM 190 CA ASP A 281 97.547 86.772 -12.399 1.00 17.76 C ATOM 191 CA ARG A 282 97.685 89.825 -14.662 1.00 14.97 C ATOM 192 CA ARG A 283 97.524 92.114 -11.603 1.00 26.04 C ATOM 193 CA THR A 284 100.263 90.104 -9.874 1.00 26.32 C ATOM 194 CA GLU A 285 102.560 90.056 -12.871 1.00 23.06 C ATOM 195 CA GLU A 286 102.111 93.763 -13.629 1.00 24.56 C ATOM 196 CA GLU A 287 102.800 94.462 -9.953 1.00 37.56 C ATOM 197 CA ASN A 288 105.983 92.388 -10.112 1.00 40.24 C ATOM 198 CA LEU A 289 107.040 94.307 -13.238 1.00 39.93 C ATOM 199 CA ARG A 290 106.551 97.614 -11.415 1.00 46.13 C ATOM 200 ZN ZN A1291 96.072 70.032 -20.426 1.00 26.82 ZN END If you find results from this site helpful for your research, please cite one of our papers:
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