EXPDTA Distill_TS4-scwrl MODEL 1 REMARK 44 REMARK 44 model 1 is called Distill_TS4-scwrl ATOM 1 CA MET 1 -17.273 -12.075 22.638 1.00 0.00 ATOM 2 CA THR 2 -16.461 -9.670 19.817 1.00 0.00 ATOM 3 CA TYR 3 -15.700 -7.351 16.886 1.00 0.00 ATOM 4 CA GLN 4 -13.977 -5.206 14.270 1.00 0.00 ATOM 5 CA ALA 5 -10.636 -4.783 12.453 1.00 0.00 ATOM 6 CA LEU 6 -7.551 -4.354 10.381 1.00 0.00 ATOM 7 CA MET 7 -6.934 -1.990 7.531 1.00 0.00 ATOM 8 CA PHE 8 -4.348 0.474 6.273 1.00 0.00 ATOM 9 CA ASP 9 -1.800 -1.927 4.792 1.00 0.00 ATOM 10 CA ILE 10 -0.289 -2.040 1.291 1.00 0.00 ATOM 11 CA ASP 11 2.988 -0.158 1.528 1.00 0.00 ATOM 12 CA GLY 12 4.078 -1.795 4.783 1.00 0.00 ATOM 13 CA THR 13 2.126 -4.999 5.136 1.00 0.00 ATOM 14 CA LEU 14 -0.298 -6.861 2.900 1.00 0.00 ATOM 15 CA THR 15 0.433 -6.696 -0.800 1.00 0.00 ATOM 16 CA ASN 16 4.024 -5.465 -1.367 1.00 0.00 ATOM 17 CA SER 17 2.455 -3.767 -4.457 1.00 0.00 ATOM 18 CA GLN 18 0.506 -4.590 -7.666 1.00 0.00 ATOM 19 CA PRO 19 2.653 -4.224 -10.816 1.00 0.00 ATOM 20 CA ALA 20 1.508 -0.590 -11.204 1.00 0.00 ATOM 21 CA TYR 21 2.381 0.102 -7.539 1.00 0.00 ATOM 22 CA THR 22 5.844 -1.453 -8.045 1.00 0.00 ATOM 23 CA THR 23 6.391 0.715 -11.155 1.00 0.00 ATOM 24 CA VAL 24 5.360 3.836 -9.190 1.00 0.00 ATOM 25 CA MET 25 7.793 2.903 -6.383 1.00 0.00 ATOM 26 CA ARG 26 10.601 2.425 -8.944 1.00 0.00 ATOM 27 CA GLU 27 9.814 5.843 -10.482 1.00 0.00 ATOM 28 CA VAL 28 9.902 7.453 -7.008 1.00 0.00 ATOM 29 CA LEU 29 13.280 5.795 -6.297 1.00 0.00 ATOM 30 CA ALA 30 14.641 7.080 -9.639 1.00 0.00 ATOM 31 CA THR 31 13.412 10.611 -8.809 1.00 0.00 ATOM 32 CA TYR 32 12.077 10.627 -12.402 1.00 0.00 ATOM 33 CA GLY 33 12.642 14.353 -12.075 1.00 0.00 ATOM 34 CA LYS 34 9.596 14.582 -9.797 1.00 0.00 ATOM 35 CA PRO 35 7.418 17.396 -8.387 1.00 0.00 ATOM 36 CA PHE 36 5.305 16.969 -11.515 1.00 0.00 ATOM 37 CA SER 37 2.108 19.005 -10.894 1.00 0.00 ATOM 38 CA PRO 38 -1.230 17.784 -9.499 1.00 0.00 ATOM 39 CA ALA 39 -3.003 17.511 -12.882 1.00 0.00 ATOM 40 CA GLN 40 0.109 15.884 -14.409 1.00 0.00 ATOM 41 CA ALA 41 0.263 13.393 -11.505 1.00 0.00 ATOM 42 CA GLN 42 -3.442 12.555 -11.995 1.00 0.00 ATOM 43 CA LYS 43 -2.847 12.007 -15.739 1.00 0.00 ATOM 44 CA THR 44 0.112 9.705 -14.957 1.00 0.00 ATOM 45 CA PHE 45 -2.049 7.722 -12.494 1.00 0.00 ATOM 46 CA PRO 46 -2.199 4.608 -14.668 1.00 0.00 ATOM 47 CA MET 47 -3.491 6.570 -17.599 1.00 0.00 ATOM 48 CA ALA 48 -4.611 3.520 -19.505 1.00 0.00 ATOM 49 CA ALA 49 -2.424 0.492 -18.779 1.00 0.00 ATOM 50 CA GLU 50 -2.239 -0.973 -22.313 1.00 0.00 ATOM 51 CA GLN 51 -2.140 2.557 -23.796 1.00 0.00 ATOM 52 CA ALA 52 0.674 3.519 -21.383 1.00 0.00 ATOM 53 CA MET 53 2.630 0.379 -22.373 1.00 0.00 ATOM 54 CA THR 54 2.169 1.231 -26.079 1.00 0.00 ATOM 55 CA GLU 55 3.406 4.798 -25.437 1.00 0.00 ATOM 56 CA LEU 56 6.470 3.431 -23.591 1.00 0.00 ATOM 57 CA GLY 57 7.230 1.928 -27.003 1.00 0.00 ATOM 58 CA ILE 58 8.437 5.271 -28.217 1.00 0.00 ATOM 59 CA ALA 59 12.063 5.046 -29.480 1.00 0.00 ATOM 60 CA ALA 60 14.851 7.441 -28.400 1.00 0.00 ATOM 61 CA SER 61 18.003 6.232 -26.591 1.00 0.00 ATOM 62 CA GLU 62 16.676 7.639 -23.286 1.00 0.00 ATOM 63 CA PHE 63 13.328 5.865 -23.846 1.00 0.00 ATOM 64 CA ASP 64 15.162 2.579 -24.560 1.00 0.00 ATOM 65 CA HIS 65 17.216 3.000 -21.356 1.00 0.00 ATOM 66 CA PHE 66 14.013 3.645 -19.358 1.00 0.00 ATOM 67 CA GLN 67 12.415 0.505 -20.859 1.00 0.00 ATOM 68 CA ALA 68 15.517 -1.544 -19.939 1.00 0.00 ATOM 69 CA GLN 69 15.382 -0.187 -16.361 1.00 0.00 ATOM 70 CA TYR 70 11.671 -1.104 -16.127 1.00 0.00 ATOM 71 CA GLU 71 12.439 -4.637 -17.390 1.00 0.00 ATOM 72 CA ASP 72 15.227 -4.988 -14.789 1.00 0.00 ATOM 73 CA VAL 73 12.834 -3.828 -12.032 1.00 0.00 ATOM 74 CA MET 74 10.221 -6.374 -13.195 1.00 0.00 ATOM 75 CA ALA 75 12.865 -9.145 -13.151 1.00 0.00 ATOM 76 CA SER 76 13.904 -8.131 -9.607 1.00 0.00 ATOM 77 CA HIS 77 10.243 -8.207 -8.485 1.00 0.00 ATOM 78 CA TYR 78 9.819 -11.689 -10.022 1.00 0.00 ATOM 79 CA ASP 79 12.971 -12.898 -8.214 1.00 0.00 ATOM 80 CA GLN 80 11.439 -12.503 -4.707 1.00 0.00 ATOM 81 CA ILE 81 7.672 -12.764 -4.673 1.00 0.00 ATOM 82 CA GLU 82 8.193 -13.509 -0.922 1.00 0.00 ATOM 83 CA LEU 83 6.428 -10.241 0.036 1.00 0.00 ATOM 84 CA TYR 84 8.818 -8.353 2.220 1.00 0.00 ATOM 85 CA PRO 85 10.522 -10.796 4.655 1.00 0.00 ATOM 86 CA GLY 86 9.091 -8.883 7.613 1.00 0.00 ATOM 87 CA ILE 87 5.646 -8.492 6.048 1.00 0.00 ATOM 88 CA THR 88 5.125 -12.243 5.472 1.00 0.00 ATOM 89 CA SER 89 6.371 -12.985 9.017 1.00 0.00 ATOM 90 CA LEU 90 3.973 -10.359 10.437 1.00 0.00 ATOM 91 CA PHE 91 1.073 -11.910 8.474 1.00 0.00 ATOM 92 CA GLU 92 1.992 -15.379 9.811 1.00 0.00 ATOM 93 CA GLN 93 2.086 -14.004 13.384 1.00 0.00 ATOM 94 CA LEU 94 -1.352 -12.394 12.882 1.00 0.00 ATOM 95 CA PRO 95 -2.739 -15.710 11.558 1.00 0.00 ATOM 96 CA SER 96 -3.850 -18.131 14.192 1.00 0.00 ATOM 97 CA GLU 97 -5.965 -15.239 15.416 1.00 0.00 ATOM 98 CA LEU 98 -6.794 -12.751 12.623 1.00 0.00 ATOM 99 CA ARG 99 -5.983 -9.417 10.941 1.00 0.00 ATOM 100 CA LEU 100 -3.145 -7.729 8.940 1.00 0.00 ATOM 101 CA GLY 101 -4.366 -6.226 5.656 1.00 0.00 ATOM 102 CA ILE 102 -5.129 -4.716 2.247 1.00 0.00 ATOM 103 CA VAL 103 -4.965 -1.194 0.878 1.00 0.00 ATOM 104 CA THR 104 -4.357 2.532 0.303 1.00 0.00 ATOM 105 CA SER 105 -4.324 5.063 -2.517 1.00 0.00 ATOM 106 CA GLN 106 -2.822 2.169 -4.510 1.00 0.00 ATOM 107 CA ARG 107 -6.432 0.829 -4.584 1.00 0.00 ATOM 108 CA ARG 108 -9.794 -0.729 -5.589 1.00 0.00 ATOM 109 CA ASN 109 -9.040 -2.673 -8.801 1.00 0.00 ATOM 110 CA GLU 110 -5.344 -2.901 -7.825 1.00 0.00 ATOM 111 CA LEU 111 -6.315 -4.179 -4.348 1.00 0.00 ATOM 112 CA GLU 112 -8.608 -6.808 -5.928 1.00 0.00 ATOM 113 CA SER 113 -5.775 -7.918 -8.253 1.00 0.00 ATOM 114 CA GLY 114 -3.400 -8.205 -5.262 1.00 0.00 ATOM 115 CA MET 115 -5.993 -10.296 -3.373 1.00 0.00 ATOM 116 CA ARG 116 -6.401 -12.584 -6.416 1.00 0.00 ATOM 117 CA SER 117 -2.601 -12.999 -6.645 1.00 0.00 ATOM 118 CA TYR 118 0.614 -11.572 -5.172 1.00 0.00 ATOM 119 CA PRO 119 1.571 -14.456 -2.820 1.00 0.00 ATOM 120 CA PHE 120 -0.929 -12.875 -0.429 1.00 0.00 ATOM 121 CA MET 121 -2.937 -16.023 -1.192 1.00 0.00 ATOM 122 CA MET 122 -4.190 -15.784 2.361 1.00 0.00 ATOM 123 CA ARG 123 -4.390 -12.169 3.388 1.00 0.00 ATOM 124 CA MET 124 -7.295 -10.287 1.845 1.00 0.00 ATOM 125 CA ALA 125 -10.404 -11.339 3.702 1.00 0.00 ATOM 126 CA VAL 126 -9.134 -8.777 6.270 1.00 0.00 ATOM 127 CA THR 127 -10.119 -5.928 3.894 1.00 0.00 ATOM 128 CA ILE 128 -9.620 -2.468 2.394 1.00 0.00 ATOM 129 CA SER 129 -9.112 1.296 1.883 1.00 0.00 ATOM 130 CA ALA 130 -11.625 1.336 -0.982 1.00 0.00 ATOM 131 CA ASP 131 -13.665 -1.507 -2.399 1.00 0.00 ATOM 132 CA ASP 132 -16.282 1.279 -2.892 1.00 0.00 ATOM 133 CA THR 133 -14.459 3.670 -5.211 1.00 0.00 ATOM 134 CA PRO 134 -17.041 6.312 -4.283 1.00 0.00 ATOM 135 CA LYS 135 -16.723 6.761 -0.468 1.00 0.00 ATOM 136 CA ARG 136 -12.962 6.222 -0.756 1.00 0.00 ATOM 137 CA LYS 137 -9.231 6.179 -0.107 1.00 0.00 ATOM 138 CA PRO 138 -9.070 9.682 1.330 1.00 0.00 ATOM 139 CA ASP 139 -11.794 8.774 3.806 1.00 0.00 ATOM 140 CA PRO 140 -12.228 5.375 5.405 1.00 0.00 ATOM 141 CA LEU 141 -15.943 4.492 5.698 1.00 0.00 ATOM 142 CA PRO 142 -15.555 1.842 2.960 1.00 0.00 ATOM 143 CA LEU 143 -12.525 0.368 4.782 1.00 0.00 ATOM 144 CA LEU 144 -14.517 0.253 8.051 1.00 0.00 ATOM 145 CA THR 145 -17.406 -1.510 6.258 1.00 0.00 ATOM 146 CA ALA 146 -14.962 -4.059 4.776 1.00 0.00 ATOM 147 CA LEU 147 -13.473 -4.688 8.248 1.00 0.00 ATOM 148 CA GLU 148 -16.985 -5.197 9.688 1.00 0.00 ATOM 149 CA LYS 149 -17.805 -7.669 6.880 1.00 0.00 ATOM 150 CA VAL 150 -14.560 -9.578 7.579 1.00 0.00 ATOM 151 CA ASN 151 -15.186 -11.452 10.840 1.00 0.00 ATOM 152 CA VAL 152 -12.228 -9.882 12.586 1.00 0.00 ATOM 153 CA ALA 153 -10.906 -9.406 16.173 1.00 0.00 ATOM 154 CA PRO 154 -8.592 -6.424 16.521 1.00 0.00 ATOM 155 CA GLN 155 -10.398 -3.206 17.547 1.00 0.00 ATOM 156 CA ASN 156 -7.032 -1.460 18.086 1.00 0.00 ATOM 157 CA ALA 157 -5.170 -2.544 14.905 1.00 0.00 ATOM 158 CA LEU 158 -1.448 -2.024 14.091 1.00 0.00 ATOM 159 CA PHE 159 -2.770 -1.502 10.597 1.00 0.00 ATOM 160 CA ILE 160 0.187 0.244 8.896 1.00 0.00 ATOM 161 CA GLY 161 0.629 2.338 5.791 1.00 0.00 ATOM 162 CA ASP 162 2.533 5.442 4.754 1.00 0.00 ATOM 163 CA SER 163 0.927 7.285 1.818 1.00 0.00 ATOM 164 CA VAL 164 0.136 10.005 4.404 1.00 0.00 ATOM 165 CA SER 165 -3.432 10.334 3.051 1.00 0.00 ATOM 166 CA ASP 166 -3.892 6.539 3.271 1.00 0.00 ATOM 167 CA GLU 167 -2.619 6.570 6.883 1.00 0.00 ATOM 168 CA GLN 168 -5.055 9.397 7.744 1.00 0.00 ATOM 169 CA THR 169 -7.937 7.426 6.168 1.00 0.00 ATOM 170 CA ALA 170 -6.954 4.326 8.191 1.00 0.00 ATOM 171 CA GLN 171 -6.869 6.415 11.399 1.00 0.00 ATOM 172 CA ALA 172 -10.336 7.832 10.598 1.00 0.00 ATOM 173 CA ALA 173 -13.016 5.098 10.535 1.00 0.00 ATOM 174 CA ASN 174 -13.311 3.748 14.084 1.00 0.00 ATOM 175 CA VAL 175 -9.847 2.137 14.099 1.00 0.00 ATOM 176 CA ASP 176 -7.022 3.625 16.270 1.00 0.00 ATOM 177 CA PHE 177 -4.642 2.311 13.587 1.00 0.00 ATOM 178 CA GLY 178 -0.935 3.236 13.461 1.00 0.00 ATOM 179 CA LEU 179 0.686 5.515 10.884 1.00 0.00 ATOM 180 CA ALA 180 3.788 3.767 9.547 1.00 0.00 ATOM 181 CA VAL 181 6.458 1.193 8.848 1.00 0.00 ATOM 182 CA TRP 182 7.246 2.870 5.576 1.00 0.00 ATOM 183 CA GLY 183 8.060 5.995 7.676 1.00 0.00 ATOM 184 CA MET 184 5.275 8.420 8.392 1.00 0.00 ATOM 185 CA ASP 185 5.244 11.617 6.340 1.00 0.00 ATOM 186 CA PRO 186 6.585 14.247 8.763 1.00 0.00 ATOM 187 CA ASN 187 6.655 14.241 12.498 1.00 0.00 ATOM 188 CA ALA 188 3.641 16.498 13.194 1.00 0.00 ATOM 189 CA ASP 189 1.287 13.837 11.764 1.00 0.00 ATOM 190 CA HIS 190 2.922 11.169 13.971 1.00 0.00 ATOM 191 CA GLN 191 2.512 13.421 17.041 1.00 0.00 ATOM 192 CA LYS 192 -1.178 13.972 16.174 1.00 0.00 ATOM 193 CA VAL 193 -1.439 10.233 15.692 1.00 0.00 ATOM 194 CA ALA 194 0.003 8.395 18.666 1.00 0.00 ATOM 195 CA HIS 195 2.405 6.862 16.100 1.00 0.00 ATOM 196 CA ARG 196 3.771 4.819 18.988 1.00 0.00 ATOM 197 CA PHE 197 5.676 3.135 16.158 1.00 0.00 ATOM 198 CA GLN 198 8.963 4.401 17.442 1.00 0.00 ATOM 199 CA LYS 199 10.308 0.997 18.288 1.00 0.00 ATOM 200 CA PRO 200 9.463 -1.768 15.820 1.00 0.00 ATOM 201 CA LEU 201 13.221 -1.697 15.083 1.00 0.00 ATOM 202 CA ASP 202 12.507 -1.589 11.322 1.00 0.00 ATOM 203 CA ILE 203 10.048 1.300 11.847 1.00 0.00 ATOM 204 CA LEU 204 12.668 3.187 13.908 1.00 0.00 ATOM 205 CA GLU 205 15.267 2.640 11.149 1.00 0.00 ATOM 206 CA LEU 206 12.796 3.941 8.528 1.00 0.00 ATOM 207 CA PHE 207 12.106 7.034 10.679 1.00 0.00 ATOM 208 CA LYS 208 15.361 8.297 9.050 1.00 0.00 ENDMDL