EXPDTA Distill_TS2-scwrl MODEL 1 REMARK 44 REMARK 44 model 1 is called Distill_TS2-scwrl ATOM 1 CA MET 1 -28.550 5.680 15.348 1.00 0.00 ATOM 2 CA LYS 2 -25.446 3.993 13.911 1.00 0.00 ATOM 3 CA TYR 3 -23.337 4.091 10.807 1.00 0.00 ATOM 4 CA LYS 4 -20.619 1.454 10.755 1.00 0.00 ATOM 5 CA ALA 5 -19.137 -1.233 8.510 1.00 0.00 ATOM 6 CA ALA 6 -16.912 -3.769 6.728 1.00 0.00 ATOM 7 CA ILE 7 -16.042 -3.569 3.048 1.00 0.00 ATOM 8 CA PHE 8 -13.394 -3.055 0.367 1.00 0.00 ATOM 9 CA ASP 9 -9.858 -3.307 -0.911 1.00 0.00 ATOM 10 CA MET 10 -6.828 -1.052 -1.184 1.00 0.00 ATOM 11 CA ASP 11 -3.782 1.086 -0.552 1.00 0.00 ATOM 12 CA GLY 12 -2.078 -0.956 2.218 1.00 0.00 ATOM 13 CA THR 13 -2.346 -0.289 6.009 1.00 0.00 ATOM 14 CA ILE 14 -4.034 -3.370 7.567 1.00 0.00 ATOM 15 CA LEU 15 -1.620 -5.313 5.311 1.00 0.00 ATOM 16 CA ASP 16 1.774 -6.515 6.472 1.00 0.00 ATOM 17 CA THR 17 4.414 -4.747 8.574 1.00 0.00 ATOM 18 CA SER 18 3.584 -1.521 6.686 1.00 0.00 ATOM 19 CA ALA 19 3.990 -3.501 3.433 1.00 0.00 ATOM 20 CA ASP 20 5.680 -0.488 1.781 1.00 0.00 ATOM 21 CA LEU 21 8.054 -0.151 4.767 1.00 0.00 ATOM 22 CA THR 22 8.906 -3.878 4.542 1.00 0.00 ATOM 23 CA SER 23 9.602 -3.517 0.793 1.00 0.00 ATOM 24 CA ALA 24 11.875 -0.512 1.480 1.00 0.00 ATOM 25 CA LEU 25 13.756 -2.513 4.150 1.00 0.00 ATOM 26 CA ASN 26 14.197 -5.420 1.695 1.00 0.00 ATOM 27 CA TYR 27 15.530 -3.005 -0.963 1.00 0.00 ATOM 28 CA ALA 28 17.992 -1.534 1.574 1.00 0.00 ATOM 29 CA PHE 29 19.171 -5.056 2.510 1.00 0.00 ATOM 30 CA GLU 30 19.665 -5.901 -1.192 1.00 0.00 ATOM 31 CA GLN 31 21.682 -2.682 -1.683 1.00 0.00 ATOM 32 CA THR 32 25.296 -3.277 -0.673 1.00 0.00 ATOM 33 CA GLY 33 25.459 -5.743 -3.613 1.00 0.00 ATOM 34 CA HIS 34 26.733 -2.895 -5.814 1.00 0.00 ATOM 35 CA ARG 35 27.629 0.247 -3.872 1.00 0.00 ATOM 36 CA HIS 36 26.837 3.761 -4.940 1.00 0.00 ATOM 37 CA ASP 37 23.474 4.163 -3.292 1.00 0.00 ATOM 38 CA PHE 38 21.242 1.506 -4.855 1.00 0.00 ATOM 39 CA THR 39 17.682 1.323 -3.523 1.00 0.00 ATOM 40 CA VAL 40 16.281 3.592 -0.879 1.00 0.00 ATOM 41 CA GLU 41 17.849 6.999 -1.656 1.00 0.00 ATOM 42 CA ASP 42 18.178 6.033 -5.347 1.00 0.00 ATOM 43 CA ILE 43 14.507 4.943 -5.414 1.00 0.00 ATOM 44 CA LYS 44 13.465 8.268 -3.826 1.00 0.00 ATOM 45 CA ASN 45 15.510 10.184 -6.437 1.00 0.00 ATOM 46 CA PHE 46 13.854 8.174 -9.245 1.00 0.00 ATOM 47 CA PHE 47 10.396 8.937 -7.785 1.00 0.00 ATOM 48 CA GLY 48 9.800 11.178 -10.853 1.00 0.00 ATOM 49 CA SER 49 8.860 8.287 -13.183 1.00 0.00 ATOM 50 CA GLY 50 10.534 5.258 -11.502 1.00 0.00 ATOM 51 CA VAL 51 7.088 4.552 -10.131 1.00 0.00 ATOM 52 CA VAL 52 4.196 4.248 -12.624 1.00 0.00 ATOM 53 CA VAL 53 6.630 3.086 -15.343 1.00 0.00 ATOM 54 CA ALA 54 8.098 0.481 -12.950 1.00 0.00 ATOM 55 CA VAL 55 4.576 -0.765 -12.106 1.00 0.00 ATOM 56 CA THR 56 3.753 -1.040 -15.836 1.00 0.00 ATOM 57 CA ARG 57 6.983 -3.011 -16.428 1.00 0.00 ATOM 58 CA ALA 58 6.106 -5.364 -13.536 1.00 0.00 ATOM 59 CA LEU 59 2.603 -5.888 -14.992 1.00 0.00 ATOM 60 CA ALA 60 4.118 -6.666 -18.423 1.00 0.00 ATOM 61 CA TYR 61 1.205 -8.341 -20.321 1.00 0.00 ATOM 62 CA GLU 62 0.837 -5.623 -23.001 1.00 0.00 ATOM 63 CA ALA 63 4.577 -5.548 -23.242 1.00 0.00 ATOM 64 CA GLY 64 7.012 -7.659 -25.311 1.00 0.00 ATOM 65 CA SER 65 9.907 -5.373 -24.281 1.00 0.00 ATOM 66 CA SER 66 8.885 -5.693 -20.604 1.00 0.00 ATOM 67 CA ARG 67 8.764 -9.506 -20.945 1.00 0.00 ATOM 68 CA GLU 68 12.247 -9.499 -22.537 1.00 0.00 ATOM 69 CA SER 69 13.577 -7.326 -19.678 1.00 0.00 ATOM 70 CA LEU 70 12.051 -9.725 -17.112 1.00 0.00 ATOM 71 CA VAL 71 13.669 -12.702 -18.896 1.00 0.00 ATOM 72 CA ALA 72 17.052 -10.906 -18.876 1.00 0.00 ATOM 73 CA PHE 73 16.677 -10.190 -15.133 1.00 0.00 ATOM 74 CA GLY 74 19.537 -12.639 -14.343 1.00 0.00 ATOM 75 CA THR 75 21.783 -11.328 -17.117 1.00 0.00 ATOM 76 CA LYS 76 21.841 -8.260 -19.367 1.00 0.00 ATOM 77 CA ASP 77 22.294 -4.609 -20.074 1.00 0.00 ATOM 78 CA GLU 78 22.619 -2.399 -23.185 1.00 0.00 ATOM 79 CA GLN 79 19.097 -3.407 -24.299 1.00 0.00 ATOM 80 CA ILE 80 17.730 -2.572 -20.821 1.00 0.00 ATOM 81 CA PRO 81 19.462 0.842 -20.933 1.00 0.00 ATOM 82 CA GLU 82 17.962 1.517 -24.392 1.00 0.00 ATOM 83 CA ALA 83 14.486 0.564 -23.097 1.00 0.00 ATOM 84 CA VAL 84 14.354 4.076 -21.690 1.00 0.00 ATOM 85 CA THR 85 16.293 7.297 -20.956 1.00 0.00 ATOM 86 CA GLN 86 19.495 6.028 -19.301 1.00 0.00 ATOM 87 CA THR 87 21.725 3.691 -17.245 1.00 0.00 ATOM 88 CA GLU 88 20.371 5.212 -14.001 1.00 0.00 ATOM 89 CA VAL 89 16.781 4.724 -15.243 1.00 0.00 ATOM 90 CA ASN 90 17.552 1.075 -16.113 1.00 0.00 ATOM 91 CA ARG 91 19.044 0.533 -12.628 1.00 0.00 ATOM 92 CA VAL 92 15.924 2.073 -11.027 1.00 0.00 ATOM 93 CA LEU 93 13.686 -0.217 -13.127 1.00 0.00 ATOM 94 CA GLU 94 15.752 -3.259 -12.057 1.00 0.00 ATOM 95 CA VAL 95 15.443 -2.209 -8.387 1.00 0.00 ATOM 96 CA PHE 96 11.653 -1.830 -8.789 1.00 0.00 ATOM 97 CA LYS 97 11.449 -5.308 -10.378 1.00 0.00 ATOM 98 CA PRO 98 13.479 -6.777 -7.482 1.00 0.00 ATOM 99 CA TYR 99 11.148 -5.086 -4.958 1.00 0.00 ATOM 100 CA TYR 100 8.097 -6.501 -6.789 1.00 0.00 ATOM 101 CA ALA 101 9.657 -9.998 -6.736 1.00 0.00 ATOM 102 CA ASP 102 10.336 -9.665 -2.981 1.00 0.00 ATOM 103 CA HIS 103 6.710 -8.581 -2.397 1.00 0.00 ATOM 104 CA CYS 104 5.460 -11.588 -4.412 1.00 0.00 ATOM 105 CA GLN 105 7.690 -13.925 -2.355 1.00 0.00 ATOM 106 CA ILE 106 8.580 -14.405 1.371 1.00 0.00 ATOM 107 CA LYS 107 4.947 -15.106 2.290 1.00 0.00 ATOM 108 CA THR 108 5.380 -13.909 5.877 1.00 0.00 ATOM 109 CA GLY 109 3.569 -13.708 9.192 1.00 0.00 ATOM 110 CA PRO 110 3.978 -10.145 10.501 1.00 0.00 ATOM 111 CA PHE 111 0.319 -9.810 11.430 1.00 0.00 ATOM 112 CA PRO 112 0.383 -11.011 15.057 1.00 0.00 ATOM 113 CA GLY 113 -0.996 -7.762 16.598 1.00 0.00 ATOM 114 CA ILE 114 -3.342 -6.417 13.873 1.00 0.00 ATOM 115 CA LEU 115 -6.066 -9.020 14.558 1.00 0.00 ATOM 116 CA ASP 116 -6.272 -7.880 18.208 1.00 0.00 ATOM 117 CA LEU 117 -6.584 -4.235 17.078 1.00 0.00 ATOM 118 CA MET 118 -9.376 -5.202 14.642 1.00 0.00 ATOM 119 CA LYS 119 -11.202 -7.074 17.441 1.00 0.00 ATOM 120 CA ASN 120 -10.882 -4.018 19.727 1.00 0.00 ATOM 121 CA LEU 121 -12.274 -1.769 16.957 1.00 0.00 ATOM 122 CA ARG 122 -15.218 -4.168 16.455 1.00 0.00 ATOM 123 CA GLN 123 -15.910 -4.145 20.222 1.00 0.00 ATOM 124 CA LYS 124 -19.580 -3.536 19.383 1.00 0.00 ATOM 125 CA GLY 125 -20.078 -1.825 15.979 1.00 0.00 ATOM 126 CA VAL 126 -17.004 0.249 15.132 1.00 0.00 ATOM 127 CA LYS 127 -14.609 -0.814 12.364 1.00 0.00 ATOM 128 CA LEU 128 -13.953 -0.212 8.696 1.00 0.00 ATOM 129 CA ALA 129 -12.555 0.205 5.227 1.00 0.00 ATOM 130 CA VAL 130 -11.280 -3.321 4.676 1.00 0.00 ATOM 131 CA VAL 131 -7.641 -3.918 3.889 1.00 0.00 ATOM 132 CA SER 132 -5.037 -5.115 1.327 1.00 0.00 ATOM 133 CA ASN 133 -3.180 -3.767 -1.750 1.00 0.00 ATOM 134 CA LYS 134 -6.110 -4.930 -3.880 1.00 0.00 ATOM 135 CA PRO 135 -6.976 -7.738 -6.339 1.00 0.00 ATOM 136 CA ASN 136 -5.098 -11.048 -6.546 1.00 0.00 ATOM 137 CA GLU 137 -5.671 -14.215 -4.470 1.00 0.00 ATOM 138 CA ALA 138 -3.354 -12.870 -1.734 1.00 0.00 ATOM 139 CA VAL 139 -5.254 -9.545 -1.723 1.00 0.00 ATOM 140 CA GLN 140 -8.581 -11.420 -1.427 1.00 0.00 ATOM 141 CA VAL 141 -7.194 -13.469 1.496 1.00 0.00 ATOM 142 CA LEU 142 -6.018 -10.258 3.221 1.00 0.00 ATOM 143 CA VAL 143 -9.482 -8.700 2.736 1.00 0.00 ATOM 144 CA GLU 144 -11.124 -11.827 4.216 1.00 0.00 ATOM 145 CA GLU 145 -8.758 -11.675 7.224 1.00 0.00 ATOM 146 CA LEU 146 -9.607 -7.976 7.736 1.00 0.00 ATOM 147 CA PHE 147 -13.347 -8.788 7.587 1.00 0.00 ATOM 148 CA PRO 148 -12.868 -11.581 10.164 1.00 0.00 ATOM 149 CA GLY 149 -10.964 -9.174 12.454 1.00 0.00 ATOM 150 CA SER 150 -13.773 -6.593 12.119 1.00 0.00 ATOM 151 CA PHE 151 -11.611 -4.470 9.866 1.00 0.00 ATOM 152 CA ASP 152 -8.961 -1.852 8.880 1.00 0.00 ATOM 153 CA PHE 153 -7.662 0.702 6.388 1.00 0.00 ATOM 154 CA ALA 154 -7.714 1.305 2.628 1.00 0.00 ATOM 155 CA LEU 155 -10.689 1.871 0.243 1.00 0.00 ATOM 156 CA GLY 156 -10.250 1.128 -3.469 1.00 0.00 ATOM 157 CA GLU 157 -9.272 -1.568 -5.940 1.00 0.00 ATOM 158 CA LYS 158 -11.771 -3.943 -7.513 1.00 0.00 ATOM 159 CA SER 159 -13.759 -1.419 -9.526 1.00 0.00 ATOM 160 CA GLY 160 -13.044 2.270 -9.104 1.00 0.00 ATOM 161 CA ILE 161 -12.565 4.594 -12.089 1.00 0.00 ATOM 162 CA ARG 162 -9.024 5.225 -10.937 1.00 0.00 ATOM 163 CA ARG 163 -6.205 3.097 -9.398 1.00 0.00 ATOM 164 CA LYS 164 -6.789 4.499 -5.925 1.00 0.00 ATOM 165 CA PRO 165 -8.244 8.024 -6.391 1.00 0.00 ATOM 166 CA ALA 166 -11.689 9.729 -6.380 1.00 0.00 ATOM 167 CA PRO 167 -13.775 8.885 -3.353 1.00 0.00 ATOM 168 CA ASP 168 -15.695 6.574 -5.728 1.00 0.00 ATOM 169 CA MET 169 -13.970 3.520 -4.190 1.00 0.00 ATOM 170 CA THR 170 -14.882 4.743 -0.677 1.00 0.00 ATOM 171 CA SER 171 -18.523 5.224 -1.763 1.00 0.00 ATOM 172 CA GLU 172 -18.580 1.685 -3.227 1.00 0.00 ATOM 173 CA CYS 173 -17.152 0.285 0.040 1.00 0.00 ATOM 174 CA VAL 174 -19.824 2.161 2.041 1.00 0.00 ATOM 175 CA LYS 175 -22.557 0.761 -0.248 1.00 0.00 ATOM 176 CA VAL 176 -21.168 -2.777 0.218 1.00 0.00 ATOM 177 CA LEU 177 -21.151 -2.297 4.017 1.00 0.00 ATOM 178 CA GLY 178 -24.938 -1.735 3.878 1.00 0.00 ATOM 179 CA VAL 179 -24.178 1.673 5.302 1.00 0.00 ATOM 180 CA PRO 180 -23.256 5.179 4.208 1.00 0.00 ATOM 181 CA ARG 181 -20.209 4.633 6.447 1.00 0.00 ATOM 182 CA ASP 182 -20.965 7.987 8.135 1.00 0.00 ATOM 183 CA LYS 183 -18.201 7.344 10.707 1.00 0.00 ATOM 184 CA CYS 184 -15.891 4.281 10.722 1.00 0.00 ATOM 185 CA VAL 185 -12.683 4.803 8.697 1.00 0.00 ATOM 186 CA TYR 186 -10.258 5.145 5.781 1.00 0.00 ATOM 187 CA ILE 187 -6.480 5.600 6.112 1.00 0.00 ATOM 188 CA GLY 188 -2.722 5.594 6.999 1.00 0.00 ATOM 189 CA ASP 189 -2.436 3.841 3.617 1.00 0.00 ATOM 190 CA SER 190 -0.455 6.256 1.413 1.00 0.00 ATOM 191 CA GLU 191 -1.104 9.292 -0.784 1.00 0.00 ATOM 192 CA ILE 192 -4.055 7.621 -2.564 1.00 0.00 ATOM 193 CA ASP 193 -5.553 6.612 0.813 1.00 0.00 ATOM 194 CA ILE 194 -5.162 10.203 2.086 1.00 0.00 ATOM 195 CA GLN 195 -6.881 11.534 -1.067 1.00 0.00 ATOM 196 CA THR 196 -9.755 9.050 -0.579 1.00 0.00 ATOM 197 CA ALA 197 -10.119 10.151 3.071 1.00 0.00 ATOM 198 CA ARG 198 -10.199 13.822 1.982 1.00 0.00 ATOM 199 CA ASN 199 -12.888 13.015 -0.624 1.00 0.00 ATOM 200 CA SER 200 -15.341 10.712 1.149 1.00 0.00 ATOM 201 CA GLU 201 -17.911 10.696 3.912 1.00 0.00 ATOM 202 CA MET 202 -15.988 8.602 6.372 1.00 0.00 ATOM 203 CA ASP 203 -14.294 11.581 8.130 1.00 0.00 ATOM 204 CA GLU 204 -11.136 9.572 8.501 1.00 0.00 ATOM 205 CA ILE 205 -8.704 7.483 10.541 1.00 0.00 ATOM 206 CA ALA 206 -5.360 5.741 11.146 1.00 0.00 ATOM 207 CA VAL 207 -4.757 2.178 10.197 1.00 0.00 ATOM 208 CA ASN 208 -1.265 1.039 11.087 1.00 0.00 ATOM 209 CA TRP 209 -0.028 4.552 11.740 1.00 0.00 ATOM 210 CA GLY 210 3.113 3.268 9.953 1.00 0.00 ATOM 211 CA PHE 211 2.073 3.412 6.309 1.00 0.00 ATOM 212 CA ARG 212 4.932 5.773 5.457 1.00 0.00 ATOM 213 CA SER 213 7.908 7.360 7.094 1.00 0.00 ATOM 214 CA VAL 214 5.812 9.069 9.700 1.00 0.00 ATOM 215 CA PRO 215 6.468 12.783 9.032 1.00 0.00 ATOM 216 CA PHE 216 5.554 12.306 5.343 1.00 0.00 ATOM 217 CA LEU 217 2.318 10.523 6.350 1.00 0.00 ATOM 218 CA GLN 218 1.458 13.383 8.747 1.00 0.00 ATOM 219 CA LYS 219 2.095 15.938 5.966 1.00 0.00 ATOM 220 CA HIS 220 0.385 17.268 2.841 1.00 0.00 ATOM 221 CA GLY 221 -3.163 16.088 3.528 1.00 0.00 ATOM 222 CA ALA 222 -4.709 15.622 6.984 1.00 0.00 ATOM 223 CA THR 223 -6.105 16.449 10.361 1.00 0.00 ATOM 224 CA VAL 224 -6.701 12.715 10.665 1.00 0.00 ATOM 225 CA ILE 225 -3.318 11.530 12.046 1.00 0.00 ATOM 226 CA VAL 226 -0.167 9.499 12.911 1.00 0.00 ATOM 227 CA ASP 227 0.296 10.730 16.479 1.00 0.00 ATOM 228 CA THR 228 -2.303 10.598 19.248 1.00 0.00 ATOM 229 CA ALA 229 -5.438 8.496 19.259 1.00 0.00 ATOM 230 CA GLU 230 -3.824 6.978 22.382 1.00 0.00 ATOM 231 CA LYS 231 -4.192 3.467 20.896 1.00 0.00 ATOM 232 CA LEU 232 -2.586 4.655 17.629 1.00 0.00 ATOM 233 CA GLU 233 0.316 6.204 19.589 1.00 0.00 ATOM 234 CA GLU 234 0.795 2.928 21.516 1.00 0.00 ATOM 235 CA ALA 235 0.818 0.968 18.226 1.00 0.00 ATOM 236 CA ILE 236 3.424 3.375 16.782 1.00 0.00 ATOM 237 CA LEU 237 5.658 0.319 16.509 1.00 0.00 ATOM 238 CA GLY 238 8.600 -0.560 14.267 1.00 0.00 ATOM 239 CA GLU 239 11.067 0.075 11.443 1.00 0.00 ENDMDL