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*** ***elNémo ID: 2404260056202786858Job options:ID = 2404260056202786858 JOBID = USERID = unknown PRIVAT = 0 NMODES = 10 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = -1 CUTOFF = 8 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 95 20.690 21.163 17.849 1.00 88.39 C ATOM 2 CA SER A 96 18.636 17.992 17.361 1.00 81.97 C ATOM 3 CA VAL A 97 21.566 16.373 15.542 1.00 45.25 C ATOM 4 CA PRO A 98 22.612 12.996 17.041 1.00 27.09 C ATOM 5 CA SER A 99 25.570 13.147 19.442 1.00 22.34 C ATOM 6 CA GLN A 100 28.884 11.937 18.033 1.00 19.41 C ATOM 7 CA LYS A 101 30.756 12.317 21.322 1.00 16.68 C ATOM 8 CA THR A 102 32.908 9.315 22.235 1.00 14.67 C ATOM 9 CA TYR A 103 32.165 7.489 25.476 1.00 17.11 C ATOM 10 CA GLN A 104 33.666 4.104 26.336 1.00 16.35 C ATOM 11 CA GLY A 105 31.195 3.850 29.207 1.00 16.16 C ATOM 12 CA SER A 106 30.880 1.096 31.800 1.00 20.16 C ATOM 13 CA TYR A 107 31.904 -1.690 29.425 1.00 17.15 C ATOM 14 CA GLY A 108 35.026 -0.043 28.007 1.00 17.78 C ATOM 15 CA PHE A 109 33.531 0.184 24.528 1.00 14.24 C ATOM 16 CA AARG A 110 36.079 0.602 21.728 0.56 17.46 C ATOM 17 CA BARG A 110 36.079 0.610 21.734 0.44 17.46 C ATOM 18 CA LEU A 111 35.978 0.170 17.964 1.00 14.02 C ATOM 19 CA GLY A 112 38.424 -1.983 16.017 1.00 11.88 C ATOM 20 CA PHE A 113 39.155 -2.669 12.363 1.00 13.14 C ATOM 21 CA LEU A 114 41.015 -5.345 10.401 1.00 14.88 C ATOM 22 CA HIS A 115 44.564 -4.597 9.296 1.00 14.61 C ATOM 23 CA SER A 116 43.699 -5.158 5.647 1.00 14.67 C ATOM 24 CA GLY A 117 46.294 -3.133 3.746 1.00 13.83 C ATOM 25 CA THR A 118 45.718 -1.081 0.598 1.00 13.76 C ATOM 26 CA ALA A 119 46.035 -3.528 -2.307 1.00 15.09 C ATOM 27 CA LYS A 120 43.735 -3.177 -5.339 1.00 22.09 C ATOM 28 CA SER A 121 41.680 -6.212 -4.364 1.00 22.61 C ATOM 29 CA AVAL A 122 40.804 -4.884 -0.903 0.51 16.99 C ATOM 30 CA BVAL A 122 40.811 -4.870 -0.905 0.49 17.02 C ATOM 31 CA THR A 123 37.124 -3.943 -0.518 1.00 20.90 C ATOM 32 CA ACYS A 124 37.456 -2.375 2.915 0.07 14.16 C ATOM 33 CA BCYS A 124 37.437 -2.438 2.952 0.93 13.91 C ATOM 34 CA THR A 125 40.472 -0.729 4.506 1.00 12.49 C ATOM 35 CA TYR A 126 40.804 1.414 7.613 1.00 12.54 C ATOM 36 CA SER A 127 43.221 4.293 8.195 1.00 16.21 C ATOM 37 CA PRO A 128 44.295 4.483 11.866 1.00 19.13 C ATOM 38 CA ALA A 129 45.957 7.811 11.077 1.00 23.89 C ATOM 39 CA LEU A 130 42.712 9.275 9.730 1.00 20.15 C ATOM 40 CA ASN A 131 40.205 7.250 11.746 1.00 16.48 C ATOM 41 CA LYS A 132 38.568 6.726 8.369 1.00 16.08 C ATOM 42 CA AMET A 133 37.158 3.678 6.599 0.64 15.50 C ATOM 43 CA BMET A 133 37.137 3.684 6.603 0.36 15.43 C ATOM 44 CA PHE A 134 37.508 3.333 2.834 1.00 15.83 C ATOM 45 CA CYS A 135 35.132 0.795 1.340 1.00 15.05 C ATOM 46 CA GLN A 136 33.350 -0.404 -1.776 1.00 16.61 C ATOM 47 CA LEU A 137 29.632 -0.080 -2.551 1.00 20.10 C ATOM 48 CA ALA A 138 27.585 -3.000 -1.159 1.00 17.65 C ATOM 49 CA ALYS A 139 30.712 -4.873 -0.028 0.49 16.22 C ATOM 50 CA BLYS A 139 30.704 -4.882 -0.028 0.51 16.24 C ATOM 51 CA THR A 140 31.563 -6.389 3.374 1.00 18.15 C ATOM 52 CA ACYS A 141 32.726 -3.821 5.940 0.75 13.72 C ATOM 53 CA BCYS A 141 32.719 -3.815 5.940 0.25 13.82 C ATOM 54 CA PRO A 142 33.910 -5.490 9.164 1.00 13.23 C ATOM 55 CA VAL A 143 33.624 -3.293 12.253 1.00 12.43 C ATOM 56 CA GLN A 144 34.948 -4.670 15.530 1.00 11.88 C ATOM 57 CA LEU A 145 33.464 -4.142 18.976 1.00 13.40 C ATOM 58 CA TRP A 146 35.997 -4.284 21.798 1.00 14.88 C ATOM 59 CA VAL A 147 34.859 -4.310 25.424 1.00 18.74 C ATOM 60 CA ASP A 148 36.587 -4.560 28.801 1.00 18.42 C ATOM 61 CA SER A 149 33.472 -6.148 30.288 1.00 22.05 C ATOM 62 CA THR A 150 30.709 -8.167 28.591 1.00 25.57 C ATOM 63 CA PRO A 151 27.357 -6.384 28.135 1.00 25.46 C ATOM 64 CA PRO A 152 24.432 -8.695 29.013 1.00 31.56 C ATOM 65 CA PRO A 153 22.376 -10.477 26.319 1.00 34.41 C ATOM 66 CA GLY A 154 19.681 -8.045 25.245 1.00 26.51 C ATOM 67 CA THR A 155 22.281 -5.371 24.530 1.00 18.10 C ATOM 68 CA ARG A 156 21.967 -3.782 21.078 1.00 15.33 C ATOM 69 CA VAL A 157 24.435 -2.164 18.654 1.00 12.49 C ATOM 70 CA ARG A 158 23.219 0.768 16.553 1.00 14.29 C ATOM 71 CA ALA A 159 24.776 2.366 13.471 1.00 10.74 C ATOM 72 CA MET A 160 23.866 5.732 11.952 1.00 12.69 C ATOM 73 CA ALA A 161 25.394 8.013 9.325 1.00 11.09 C ATOM 74 CA ILE A 162 25.594 11.802 9.657 1.00 12.52 C ATOM 75 CA TYR A 163 27.238 14.486 7.532 1.00 14.96 C ATOM 76 CA LYS A 164 30.640 15.632 8.790 1.00 22.19 C ATOM 77 CA GLN A 165 30.467 19.310 7.866 1.00 25.64 C ATOM 78 CA SER A 166 28.448 21.660 10.085 1.00 26.72 C ATOM 79 CA GLN A 167 26.364 23.114 7.215 1.00 28.06 C ATOM 80 CA HIS A 168 25.092 19.647 6.247 1.00 21.85 C ATOM 81 CA AMET A 169 24.766 18.018 9.677 0.50 20.78 C ATOM 82 CA BMET A 169 24.763 18.015 9.683 0.50 20.77 C ATOM 83 CA THR A 170 21.033 18.740 9.963 1.00 22.23 C ATOM 84 CA GLU A 171 20.370 17.002 6.645 1.00 17.41 C ATOM 85 CA VAL A 172 19.421 13.309 6.899 1.00 18.53 C ATOM 86 CA VAL A 173 21.956 11.038 5.203 1.00 15.60 C ATOM 87 CA AARG A 174 20.041 8.910 2.701 0.63 15.15 C ATOM 88 CA BARG A 174 20.061 8.887 2.712 0.37 15.24 C ATOM 89 CA ARG A 175 20.560 7.080 -0.591 1.00 20.40 C ATOM 90 CA CYS A 176 20.418 8.898 -3.933 1.00 23.08 C ATOM 91 CA PRO A 177 17.309 8.634 -6.177 1.00 30.98 C ATOM 92 CA HIS A 178 19.071 6.212 -8.568 1.00 28.04 C ATOM 93 CA HIS A 179 19.938 3.753 -5.808 1.00 28.63 C ATOM 94 CA AGLU A 180 16.763 4.191 -3.744 0.44 39.40 C ATOM 95 CA BGLU A 180 16.730 4.250 -3.819 0.56 40.06 C ATOM 96 CA AARG A 181 14.698 3.195 -6.808 0.44 59.24 C ATOM 97 CA BARG A 181 14.917 3.408 -7.067 0.56 59.72 C ATOM 98 CA CYS A 182 16.667 0.123 -7.828 1.00 62.82 C ATOM 99 CA SER A 183 15.970 -3.139 -6.050 1.00 69.51 C ATOM 100 CA ASP A 184 19.224 -4.138 -4.427 1.00 63.96 C ATOM 101 CA SER A 185 16.846 -4.382 -1.489 1.00 52.68 C ATOM 102 CA ASP A 186 17.135 -7.591 0.530 1.00 39.70 C ATOM 103 CA GLY A 187 13.550 -7.383 1.779 1.00 33.49 C ATOM 104 CA LEU A 188 14.652 -6.243 5.235 1.00 30.96 C ATOM 105 CA ALA A 189 16.424 -2.955 4.634 1.00 25.41 C ATOM 106 CA PRO A 190 14.317 0.015 3.579 1.00 23.73 C ATOM 107 CA PRO A 191 15.527 0.995 0.085 1.00 23.94 C ATOM 108 CA GLN A 192 16.413 4.510 1.325 1.00 22.66 C ATOM 109 CA HIS A 193 18.819 3.348 4.049 1.00 16.64 C ATOM 110 CA LEU A 194 22.518 3.876 3.336 1.00 15.81 C ATOM 111 CA ILE A 195 23.717 1.421 5.988 1.00 12.99 C ATOM 112 CA ARG A 196 22.741 -2.248 6.070 1.00 13.23 C ATOM 113 CA VAL A 197 23.959 -5.219 8.083 1.00 16.31 C ATOM 114 CA GLU A 198 24.584 -8.475 6.216 1.00 19.60 C ATOM 115 CA GLY A 199 24.678 -11.970 7.694 1.00 23.48 C ATOM 116 CA ASN A 200 22.228 -11.256 10.517 1.00 21.20 C ATOM 117 CA LEU A 201 18.573 -12.347 10.434 1.00 25.58 C ATOM 118 CA ARG A 202 17.894 -10.413 13.643 1.00 17.09 C ATOM 119 CA VAL A 203 18.756 -7.091 11.998 1.00 13.54 C ATOM 120 CA GLU A 204 16.355 -4.216 12.747 1.00 15.99 C ATOM 121 CA TYR A 205 15.836 -0.942 10.879 1.00 13.78 C ATOM 122 CA LEU A 206 14.506 2.373 12.149 1.00 13.05 C ATOM 123 CA ASP A 207 13.093 5.506 10.612 1.00 18.26 C ATOM 124 CA ASP A 208 13.012 7.913 13.537 1.00 18.80 C ATOM 125 CA AARG A 209 9.444 9.153 14.026 0.52 25.69 C ATOM 126 CA BARG A 209 9.442 9.179 13.952 0.48 25.49 C ATOM 127 CA ASN A 210 10.736 12.629 14.929 1.00 26.77 C ATOM 128 CA THR A 211 14.179 13.205 13.373 1.00 21.64 C ATOM 129 CA PHE A 212 13.515 11.092 10.250 1.00 20.13 C ATOM 130 CA ARG A 213 17.012 9.636 10.649 1.00 18.01 C ATOM 131 CA HIS A 214 17.812 6.103 9.538 1.00 14.07 C ATOM 132 CA SER A 215 19.625 3.581 11.720 1.00 10.85 C ATOM 133 CA VAL A 216 20.306 -0.146 11.700 1.00 13.75 C ATOM 134 CA AVAL A 217 20.592 -2.221 14.884 0.78 13.17 C ATOM 135 CA BVAL A 217 20.596 -2.238 14.883 0.22 13.19 C ATOM 136 CA VAL A 218 21.658 -5.778 15.770 1.00 13.93 C ATOM 137 CA PRO A 219 21.771 -7.728 19.045 1.00 18.90 C ATOM 138 CA TYR A 220 25.186 -7.603 20.701 1.00 16.40 C ATOM 139 CA GLU A 221 26.827 -11.021 20.837 1.00 20.68 C ATOM 140 CA PRO A 222 30.001 -11.814 22.847 1.00 23.54 C ATOM 141 CA PRO A 223 33.334 -12.286 20.966 1.00 27.70 C ATOM 142 CA AGLU A 224 33.521 -15.152 18.450 0.38 27.57 C ATOM 143 CA BGLU A 224 33.408 -15.198 18.506 0.23 27.76 C ATOM 144 CA CGLU A 224 33.605 -15.098 18.390 0.39 27.50 C ATOM 145 CA VAL A 225 35.715 -18.215 18.912 1.00 33.46 C ATOM 146 CA GLY A 226 39.307 -17.319 18.058 1.00 37.18 C ATOM 147 CA SER A 227 38.584 -13.606 18.434 1.00 29.52 C ATOM 148 CA ASP A 228 38.747 -11.110 21.299 1.00 26.17 C ATOM 149 CA CYS A 229 36.191 -8.801 19.687 1.00 18.05 C ATOM 150 CA THR A 230 32.696 -8.945 18.193 1.00 16.41 C ATOM 151 CA THR A 231 32.541 -8.314 14.443 1.00 15.41 C ATOM 152 CA ILE A 232 29.631 -6.763 12.526 1.00 13.90 C ATOM 153 CA HIS A 233 29.408 -6.748 8.724 1.00 14.23 C ATOM 154 CA TYR A 234 28.027 -3.455 7.431 1.00 10.26 C ATOM 155 CA ASN A 235 27.184 -2.610 3.831 1.00 14.28 C ATOM 156 CA TYR A 236 27.161 0.937 2.477 1.00 12.15 C ATOM 157 CA MET A 237 24.655 1.134 -0.368 1.00 15.88 C ATOM 158 CA CYS A 238 25.769 4.374 -2.016 1.00 15.81 C ATOM 159 CA ASN A 239 29.048 5.799 -3.267 1.00 18.86 C ATOM 160 CA SER A 240 30.267 9.012 -1.639 1.00 26.84 C ATOM 161 CA SER A 241 30.171 10.494 -5.151 1.00 30.37 C ATOM 162 CA CYS A 242 26.533 9.585 -5.896 1.00 29.46 C ATOM 163 CA MET A 243 24.856 12.724 -7.241 1.00 36.24 C ATOM 164 CA GLY A 244 21.609 13.661 -5.502 1.00 40.84 C ATOM 165 CA GLY A 245 22.654 11.740 -2.413 1.00 29.46 C ATOM 166 CA MET A 246 25.810 12.366 -0.403 1.00 19.63 C ATOM 167 CA ASN A 247 27.224 14.011 -3.557 1.00 21.59 C ATOM 168 CA ARG A 248 30.871 13.871 -2.400 1.00 22.70 C ATOM 169 CA ARG A 249 29.960 15.159 1.065 1.00 18.15 C ATOM 170 CA PRO A 250 31.995 13.397 3.798 1.00 15.80 C ATOM 171 CA ILE A 251 30.066 11.389 6.396 1.00 16.61 C ATOM 172 CA LEU A 252 30.640 9.724 9.755 1.00 15.95 C ATOM 173 CA THR A 253 29.227 6.469 11.070 1.00 10.53 C ATOM 174 CA ILE A 254 28.171 6.597 14.711 1.00 11.42 C ATOM 175 CA ILE A 255 28.207 3.283 16.574 1.00 11.80 C ATOM 176 CA ATHR A 256 26.133 3.222 19.774 0.61 12.11 C ATOM 177 CA BTHR A 256 26.171 3.210 19.786 0.39 12.08 C ATOM 178 CA ALEU A 257 25.939 0.524 22.439 0.57 12.29 C ATOM 179 CA BLEU A 257 25.930 0.537 22.464 0.43 12.36 C ATOM 180 CA GLU A 258 22.535 0.477 24.176 1.00 14.82 C ATOM 181 CA ASP A 259 20.709 -1.850 26.566 1.00 14.48 C ATOM 182 CA SER A 260 17.416 -3.674 25.947 1.00 16.48 C ATOM 183 CA SER A 261 15.591 -0.627 27.326 1.00 16.07 C ATOM 184 CA GLY A 262 17.316 1.924 25.097 1.00 13.84 C ATOM 185 CA ASN A 263 19.685 3.286 27.741 1.00 16.93 C ATOM 186 CA LEU A 264 22.977 4.511 26.256 1.00 16.32 C ATOM 187 CA LEU A 265 26.032 2.476 27.302 1.00 16.75 C ATOM 188 CA GLY A 266 28.727 3.759 24.967 1.00 12.11 C ATOM 189 CA ARG A 267 29.414 5.556 21.703 1.00 13.28 C ATOM 190 CA ASN A 268 32.144 5.664 19.076 1.00 10.57 C ATOM 191 CA SER A 269 32.479 6.905 15.504 1.00 11.80 C ATOM 192 CA PHE A 270 34.570 6.792 12.336 1.00 12.12 C ATOM 193 CA GLU A 271 34.543 8.604 9.005 1.00 13.08 C ATOM 194 CA AVAL A 272 33.683 6.527 5.950 0.63 13.67 C ATOM 195 CA BVAL A 272 33.611 6.522 5.944 0.37 14.79 C ATOM 196 CA ARG A 273 34.347 7.032 2.251 1.00 0.00 C ATOM 197 CA VAL A 274 32.573 4.781 -0.217 1.00 14.92 C ATOM 198 CA CYS A 275 34.413 4.326 -3.508 1.00 20.09 C ATOM 199 CA ALA A 276 35.739 2.083 -6.277 1.00 20.37 C ATOM 200 CA CYS A 277 39.374 2.205 -5.133 1.00 20.58 C ATOM 201 CA PRO A 278 39.524 2.095 -1.295 1.00 17.38 C ATOM 202 CA GLY A 279 43.213 1.184 -1.151 1.00 14.54 C ATOM 203 CA ARG A 280 44.177 3.879 -3.647 1.00 19.04 C ATOM 204 CA ASP A 281 42.250 6.571 -1.764 1.00 17.52 C ATOM 205 CA ARG A 282 43.604 5.604 1.642 1.00 15.08 C ATOM 206 CA ARG A 283 47.175 5.963 0.353 1.00 16.71 C ATOM 207 CA THR A 284 46.322 9.337 -1.225 1.00 0.00 C ATOM 208 CA GLU A 285 44.650 10.787 1.821 1.00 25.62 C ATOM 209 CA GLU A 286 47.449 9.611 4.108 1.00 25.20 C ATOM 210 CA GLU A 287 49.983 11.539 2.036 1.00 41.62 C ATOM 211 CA ASN A 288 47.667 14.594 2.001 1.00 57.03 C ATOM 212 CA LEU A 289 48.465 15.182 5.685 1.00 69.10 C ATOM 213 CA ARG A 290 52.003 16.178 4.748 1.00 68.04 C ATOM 214 ZN ZN A 301 23.732 6.250 -4.804 1.00 21.79 ZN END If you find results from this site helpful for your research, please cite one of our papers:
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