EXPDTA Distill_TS5-scwrl MODEL 1 REMARK 44 REMARK 44 model 1 is called Distill_TS5-scwrl ATOM 1 CA MET 1 15.502 -6.352 -2.562 1.00 0.00 ATOM 2 CA ALA 2 16.359 -10.045 -2.195 1.00 0.00 ATOM 3 CA THR 3 15.519 -13.177 -0.262 1.00 0.00 ATOM 4 CA LEU 4 12.251 -14.899 0.785 1.00 0.00 ATOM 5 CA THR 5 10.063 -18.067 1.050 1.00 0.00 ATOM 6 CA GLU 6 6.734 -16.147 0.964 1.00 0.00 ATOM 7 CA ASP 7 4.863 -19.421 1.635 1.00 0.00 ATOM 8 CA ASP 8 4.952 -18.728 5.401 1.00 0.00 ATOM 9 CA VAL 9 3.594 -15.197 4.808 1.00 0.00 ATOM 10 CA LEU 10 0.779 -16.618 2.635 1.00 0.00 ATOM 11 CA GLU 11 -0.083 -19.157 5.368 1.00 0.00 ATOM 12 CA GLN 12 -0.167 -16.356 7.979 1.00 0.00 ATOM 13 CA LEU 13 -2.473 -14.291 5.725 1.00 0.00 ATOM 14 CA ASP 14 -4.787 -17.311 5.283 1.00 0.00 ATOM 15 CA ALA 15 -4.875 -17.829 9.077 1.00 0.00 ATOM 16 CA GLN 16 -7.870 -19.056 11.130 1.00 0.00 ATOM 17 CA ASP 17 -10.276 -16.937 13.137 1.00 0.00 ATOM 18 CA ASN 18 -13.587 -15.155 12.410 1.00 0.00 ATOM 19 CA LEU 19 -11.772 -11.785 12.276 1.00 0.00 ATOM 20 CA PHE 20 -9.184 -13.247 9.861 1.00 0.00 ATOM 21 CA SER 21 -11.991 -14.618 7.645 1.00 0.00 ATOM 22 CA PHE 22 -13.697 -11.189 7.641 1.00 0.00 ATOM 23 CA MET 23 -10.391 -9.518 6.670 1.00 0.00 ATOM 24 CA LYS 24 -9.926 -12.036 3.823 1.00 0.00 ATOM 25 CA THR 25 -13.486 -11.342 2.594 1.00 0.00 ATOM 26 CA ALA 26 -12.807 -7.574 2.680 1.00 0.00 ATOM 27 CA HIS 27 -9.575 -8.086 0.690 1.00 0.00 ATOM 28 CA SER 28 -11.469 -10.186 -1.893 1.00 0.00 ATOM 29 CA ILE 29 -14.136 -7.453 -2.194 1.00 0.00 ATOM 30 CA LEU 30 -11.409 -4.812 -2.695 1.00 0.00 ATOM 31 CA LEU 31 -9.782 -6.971 -5.408 1.00 0.00 ATOM 32 CA GLN 32 -13.167 -7.372 -7.153 1.00 0.00 ATOM 33 CA GLY 33 -13.711 -3.583 -7.023 1.00 0.00 ATOM 34 CA ILE 34 -10.229 -3.007 -8.511 1.00 0.00 ATOM 35 CA ARG 35 -10.988 -5.505 -11.313 1.00 0.00 ATOM 36 CA GLN 36 -14.298 -3.722 -12.040 1.00 0.00 ATOM 37 CA PHE 37 -12.483 -0.353 -12.174 1.00 0.00 ATOM 38 CA LEU 38 -9.895 -1.815 -14.589 1.00 0.00 ATOM 39 CA PRO 39 -12.702 -3.186 -16.805 1.00 0.00 ATOM 40 CA SER 40 -14.408 0.243 -16.809 1.00 0.00 ATOM 41 CA LEU 41 -11.101 1.914 -17.780 1.00 0.00 ATOM 42 CA PHE 42 -10.637 -0.605 -20.627 1.00 0.00 ATOM 43 CA VAL 43 -7.700 -2.451 -19.052 1.00 0.00 ATOM 44 CA ASP 44 -5.056 -4.590 -17.295 1.00 0.00 ATOM 45 CA ASN 45 -4.507 -7.586 -15.025 1.00 0.00 ATOM 46 CA ASP 46 -0.805 -7.090 -14.132 1.00 0.00 ATOM 47 CA GLU 47 -0.645 -3.380 -13.247 1.00 0.00 ATOM 48 CA GLU 48 -3.474 -4.139 -10.780 1.00 0.00 ATOM 49 CA ILE 49 -1.121 -3.461 -7.835 1.00 0.00 ATOM 50 CA VAL 50 -0.062 -0.137 -9.416 1.00 0.00 ATOM 51 CA GLU 51 -3.735 0.831 -9.901 1.00 0.00 ATOM 52 CA TYR 52 -4.471 -0.029 -6.242 1.00 0.00 ATOM 53 CA ALA 53 -1.494 2.102 -5.118 1.00 0.00 ATOM 54 CA VAL 54 -2.745 5.022 -7.257 1.00 0.00 ATOM 55 CA LYS 55 -6.240 4.677 -5.729 1.00 0.00 ATOM 56 CA PRO 56 -4.728 4.677 -2.210 1.00 0.00 ATOM 57 CA LEU 57 -2.711 7.823 -3.050 1.00 0.00 ATOM 58 CA LEU 58 -5.876 9.530 -4.367 1.00 0.00 ATOM 59 CA ALA 59 -7.014 12.811 -5.912 1.00 0.00 ATOM 60 CA GLN 60 -9.887 15.098 -6.705 1.00 0.00 ATOM 61 CA SER 61 -9.904 18.577 -5.261 1.00 0.00 ATOM 62 CA GLY 62 -7.516 17.742 -2.418 1.00 0.00 ATOM 63 CA PRO 63 -10.498 16.085 -0.732 1.00 0.00 ATOM 64 CA LEU 64 -9.669 12.454 -0.245 1.00 0.00 ATOM 65 CA ASP 65 -12.987 10.513 -0.122 1.00 0.00 ATOM 66 CA ASP 66 -12.490 6.833 0.816 1.00 0.00 ATOM 67 CA ILE 67 -14.161 3.418 1.280 1.00 0.00 ATOM 68 CA ASP 68 -13.346 2.498 -2.347 1.00 0.00 ATOM 69 CA VAL 69 -9.700 3.544 -1.819 1.00 0.00 ATOM 70 CA ALA 70 -9.523 1.413 1.358 1.00 0.00 ATOM 71 CA LEU 71 -10.973 -1.581 -0.540 1.00 0.00 ATOM 72 CA ARG 72 -8.388 -1.098 -3.325 1.00 0.00 ATOM 73 CA LEU 73 -5.578 -0.961 -0.727 1.00 0.00 ATOM 74 CA ILE 74 -6.880 -4.180 0.888 1.00 0.00 ATOM 75 CA TYR 75 -6.980 -5.888 -2.538 1.00 0.00 ATOM 76 CA ALA 76 -3.385 -4.764 -3.230 1.00 0.00 ATOM 77 CA LEU 77 -2.276 -6.134 0.169 1.00 0.00 ATOM 78 CA GLY 78 -0.826 -9.560 -0.815 1.00 0.00 ATOM 79 CA LYS 79 -2.354 -9.634 -4.267 1.00 0.00 ATOM 80 CA MET 80 0.850 -7.793 -5.381 1.00 0.00 ATOM 81 CA ASP 81 4.020 -7.420 -7.508 1.00 0.00 ATOM 82 CA LYS 82 3.805 -3.797 -6.571 1.00 0.00 ATOM 83 CA TRP 83 4.744 -5.059 -3.079 1.00 0.00 ATOM 84 CA LEU 84 6.089 -1.592 -2.161 1.00 0.00 ATOM 85 CA TYR 85 2.846 0.022 -3.403 1.00 0.00 ATOM 86 CA ALA 86 0.790 -2.449 -1.321 1.00 0.00 ATOM 87 CA ASP 87 2.910 -1.649 1.767 1.00 0.00 ATOM 88 CA ILE 88 2.392 2.100 1.181 1.00 0.00 ATOM 89 CA THR 89 -1.385 1.554 0.866 1.00 0.00 ATOM 90 CA HIS 90 -1.393 -0.449 4.130 1.00 0.00 ATOM 91 CA PHE 91 0.550 2.349 5.880 1.00 0.00 ATOM 92 CA SER 92 -1.955 4.937 4.577 1.00 0.00 ATOM 93 CA GLN 93 -4.865 2.796 5.849 1.00 0.00 ATOM 94 CA TYR 94 -3.187 2.508 9.279 1.00 0.00 ATOM 95 CA TRP 95 -2.697 6.305 9.385 1.00 0.00 ATOM 96 CA HIS 96 -6.382 6.831 8.487 1.00 0.00 ATOM 97 CA TYR 97 -7.430 4.407 11.262 1.00 0.00 ATOM 98 CA LEU 98 -5.217 6.280 13.765 1.00 0.00 ATOM 99 CA ASN 99 -6.776 9.609 12.690 1.00 0.00 ATOM 100 CA GLU 100 -6.333 13.098 14.248 1.00 0.00 ATOM 101 CA GLN 101 -3.984 13.481 17.214 1.00 0.00 ATOM 102 CA ASP 102 -7.175 14.341 19.099 1.00 0.00 ATOM 103 CA GLU 103 -8.197 10.987 20.419 1.00 0.00 ATOM 104 CA THR 104 -11.097 8.559 20.270 1.00 0.00 ATOM 105 CA PRO 105 -9.095 5.992 22.289 1.00 0.00 ATOM 106 CA GLY 106 -6.605 5.097 25.047 1.00 0.00 ATOM 107 CA PHE 107 -3.765 3.910 22.716 1.00 0.00 ATOM 108 CA ALA 108 -5.142 0.358 22.573 1.00 0.00 ATOM 109 CA ASP 109 -5.701 -3.332 21.828 1.00 0.00 ATOM 110 CA ASP 110 -7.889 -6.034 20.337 1.00 0.00 ATOM 111 CA ILE 111 -6.582 -8.456 17.674 1.00 0.00 ATOM 112 CA THR 112 -7.588 -6.001 14.912 1.00 0.00 ATOM 113 CA TRP 113 -5.791 -3.161 16.748 1.00 0.00 ATOM 114 CA ASP 114 -2.653 -5.331 17.086 1.00 0.00 ATOM 115 CA PHE 115 -2.785 -6.148 13.346 1.00 0.00 ATOM 116 CA ILE 116 -3.122 -2.423 12.520 1.00 0.00 ATOM 117 CA SER 117 -0.118 -1.630 14.760 1.00 0.00 ATOM 118 CA ASN 118 1.930 -4.359 13.021 1.00 0.00 ATOM 119 CA VAL 119 0.970 -2.934 9.599 1.00 0.00 ATOM 120 CA ASN 120 2.011 0.571 10.739 1.00 0.00 ATOM 121 CA SER 121 5.364 -0.801 11.979 1.00 0.00 ATOM 122 CA ILE 122 5.915 -2.559 8.621 1.00 0.00 ATOM 123 CA THR 123 5.125 0.694 6.761 1.00 0.00 ATOM 124 CA ARG 124 7.604 2.593 8.978 1.00 0.00 ATOM 125 CA ASN 125 10.288 -0.049 8.282 1.00 0.00 ATOM 126 CA ALA 126 9.632 0.240 4.520 1.00 0.00 ATOM 127 CA THR 127 9.931 4.052 4.736 1.00 0.00 ATOM 128 CA LEU 128 13.238 3.709 6.636 1.00 0.00 ATOM 129 CA TYR 129 14.545 1.287 3.973 1.00 0.00 ATOM 130 CA ASP 130 13.539 3.742 1.211 1.00 0.00 ATOM 131 CA ALA 131 15.337 6.582 3.047 1.00 0.00 ATOM 132 CA LEU 132 18.474 4.412 3.385 1.00 0.00 ATOM 133 CA LYS 133 18.342 3.596 -0.355 1.00 0.00 ATOM 134 CA ALA 134 18.006 7.320 -1.181 1.00 0.00 ATOM 135 CA MET 135 21.009 8.113 1.059 1.00 0.00 ATOM 136 CA LYS 136 19.626 8.990 4.509 1.00 0.00 ATOM 137 CA PHE 137 17.352 8.075 7.399 1.00 0.00 ATOM 138 CA ALA 138 14.099 9.167 9.078 1.00 0.00 ATOM 139 CA ASP 139 15.066 11.674 11.837 1.00 0.00 ATOM 140 CA PHE 140 12.310 13.802 10.220 1.00 0.00 ATOM 141 CA ALA 141 12.859 17.569 9.807 1.00 0.00 ATOM 142 CA VAL 142 15.206 16.929 6.849 1.00 0.00 ATOM 143 CA TRP 143 12.595 14.633 5.243 1.00 0.00 ATOM 144 CA SER 144 9.907 17.321 5.712 1.00 0.00 ATOM 145 CA GLU 145 12.204 19.933 4.110 1.00 0.00 ATOM 146 CA ALA 146 12.846 17.588 1.151 1.00 0.00 ATOM 147 CA ARG 147 9.079 17.040 0.735 1.00 0.00 ATOM 148 CA PHE 148 8.498 20.825 0.792 1.00 0.00 ATOM 149 CA SER 149 9.765 20.962 -2.802 1.00 0.00 ATOM 150 CA GLY 150 10.912 19.845 -6.296 1.00 0.00 ATOM 151 CA MET 151 8.065 17.322 -6.283 1.00 0.00 ATOM 152 CA VAL 152 9.229 16.761 -9.869 1.00 0.00 ATOM 153 CA LYS 153 10.245 14.914 -13.001 1.00 0.00 ATOM 154 CA THR 154 6.843 13.317 -13.189 1.00 0.00 ATOM 155 CA ALA 155 3.449 11.988 -14.228 1.00 0.00 ATOM 156 CA LEU 156 1.544 8.966 -15.438 1.00 0.00 ATOM 157 CA THR 157 3.979 8.067 -18.273 1.00 0.00 ATOM 158 CA LEU 158 7.590 7.486 -19.437 1.00 0.00 ATOM 159 CA ALA 159 8.793 7.253 -23.038 1.00 0.00 ATOM 160 CA VAL 160 11.258 4.490 -22.052 1.00 0.00 ATOM 161 CA THR 161 12.589 1.509 -24.017 1.00 0.00 ATOM 162 CA THR 162 15.122 0.373 -21.458 1.00 0.00 ATOM 163 CA THR 163 18.278 -1.313 -20.027 1.00 0.00 ATOM 164 CA LEU 164 16.636 -4.468 -21.359 1.00 0.00 ATOM 165 CA LYS 165 17.817 -8.074 -21.036 1.00 0.00 ATOM 166 CA GLU 166 15.533 -10.443 -23.044 1.00 0.00 ATOM 167 CA LEU 167 13.155 -13.338 -23.738 1.00 0.00 ATOM 168 CA THR 168 12.219 -16.441 -21.780 1.00 0.00 ATOM 169 CA PRO 169 11.457 -16.773 -18.092 1.00 0.00 ENDMDL