HETNAM 101 A 1 101 HETNAM 314 A 2 314 HETNAM 101 A 3 101 HETNAM 314 A 4 314 HETNAM 101 A 5 101 HETNAM 314 A 6 314 HETNAM 101 A 7 101 HETNAM 314 A 8 314 HETNAM 101 A 9 101 HETNAM 314 A 10 314 HETNAM 101 A 11 101 HETNAM 314 A 12 314 HETNAM 101 A 13 101 HETNAM 314 A 14 314 HETNAM 101 A 15 101 HETNAM 314 A 16 314 HETNAM 101 A 17 101 HETNAM 314 A 18 314 ATOM 1 N 101 A 1 0.000 0.000 0.000 1.00 0.00 N ATOM 2 CA 101 A 1 1.441 0.000 0.000 1.00 0.00 C ATOM 3 C 101 A 1 2.007 1.424 0.000 1.00 0.00 C ATOM 4 O 101 A 1 1.277 2.367 0.158 1.00 0.00 O ATOM 5 CA1 101 A 1 -0.647 0.168 1.290 1.00 0.00 C ATOM 6 CB 101 A 1 -0.917 1.621 1.648 1.00 0.00 C ATOM 7 CG1 101 A 1 -2.108 2.247 1.296 1.00 0.00 C ATOM 8 CG2 101 A 1 0.057 2.363 2.302 1.00 0.00 C ATOM 9 CD1 101 A 1 -2.314 3.584 1.586 1.00 0.00 C ATOM 10 CD2 101 A 1 -0.146 3.704 2.592 1.00 0.00 C ATOM 11 CE 101 A 1 -1.333 4.319 2.234 1.00 0.00 C ATOM 12 1HA 101 A 1 1.791 -0.518 0.886 1.00 0.00 H ATOM 13 2HA 101 A 1 1.790 -0.543 -0.862 1.00 0.00 H ATOM 14 1HA1 101 A 1 -1.575 -0.390 1.295 1.00 0.00 H ATOM 15 2HA1 101 A 1 -0.026 -0.270 2.056 1.00 0.00 H ATOM 16 1HG1 101 A 1 -2.878 1.683 0.801 1.00 0.00 H ATOM 17 1HG2 101 A 1 0.981 1.892 2.590 1.00 0.00 H ATOM 18 1HD1 101 A 1 -3.241 4.053 1.307 1.00 0.00 H ATOM 19 1HD2 101 A 1 0.620 4.262 3.100 1.00 0.00 H ATOM 20 1HE 101 A 1 -1.495 5.357 2.461 1.00 0.00 H ATOM 21 N 314 A 2 3.352 1.552 -0.131 1.00 0.00 N ATOM 22 CA 314 A 2 4.156 0.355 -0.260 1.00 0.00 C ATOM 23 C 314 A 2 3.478 -0.924 0.233 1.00 0.00 C ATOM 24 O 314 A 2 2.321 -0.882 0.570 1.00 0.00 O ATOM 25 CA1 314 A 2 4.072 2.782 0.236 1.00 0.00 C ATOM 26 CB 314 A 2 4.594 3.607 -0.948 1.00 0.00 C ATOM 27 CG 314 A 2 3.577 4.674 -1.465 1.00 0.00 C ATOM 28 OD1 314 A 2 2.774 4.270 -2.320 1.00 0.00 O ATOM 29 OD2 314 A 2 3.662 5.775 -0.932 1.00 0.00 O ATOM 30 1HA2 314 A 2 5.088 0.503 0.263 1.00 0.00 H ATOM 31 2HA2 314 A 2 4.376 0.164 -1.302 1.00 0.00 H ATOM 32 1HA1 314 A 2 3.391 3.371 0.840 1.00 0.00 H ATOM 33 2HA1 314 A 2 4.907 2.525 0.863 1.00 0.00 H ATOM 34 1HB 314 A 2 5.478 4.162 -0.638 1.00 0.00 H ATOM 35 2HB 314 A 2 4.900 2.977 -1.776 1.00 0.00 H ATOM 36 N 101 A 3 4.191 -2.080 0.275 1.00 0.00 N ATOM 37 CA 101 A 3 4.623 -2.598 -0.999 1.00 0.00 C ATOM 38 C 101 A 3 3.796 -2.023 -2.153 1.00 0.00 C ATOM 39 O 101 A 3 3.020 -1.127 -1.956 1.00 0.00 O ATOM 40 CA1 101 A 3 4.887 -2.581 1.447 1.00 0.00 C ATOM 41 CB 101 A 3 6.104 -1.754 1.829 1.00 0.00 C ATOM 42 CG1 101 A 3 6.006 -0.679 2.706 1.00 0.00 C ATOM 43 CG2 101 A 3 7.339 -2.041 1.263 1.00 0.00 C ATOM 44 CD1 101 A 3 7.116 0.093 3.003 1.00 0.00 C ATOM 45 CD2 101 A 3 8.452 -1.267 1.555 1.00 0.00 C ATOM 46 CE 101 A 3 8.343 -0.197 2.426 1.00 0.00 C ATOM 47 1HA 101 A 3 5.665 -2.337 -1.147 1.00 0.00 H ATOM 48 2HA 101 A 3 4.549 -3.673 -0.981 1.00 0.00 H ATOM 49 1HA1 101 A 3 4.195 -2.621 2.279 1.00 0.00 H ATOM 50 2HA1 101 A 3 5.199 -3.598 1.264 1.00 0.00 H ATOM 51 1HG1 101 A 3 5.061 -0.452 3.165 1.00 0.00 H ATOM 52 1HG2 101 A 3 7.435 -2.874 0.588 1.00 0.00 H ATOM 53 1HD1 101 A 3 7.023 0.921 3.684 1.00 0.00 H ATOM 54 1HD2 101 A 3 9.400 -1.504 1.107 1.00 0.00 H ATOM 55 1HE 101 A 3 9.205 0.403 2.658 1.00 0.00 H ATOM 56 N 314 A 4 4.026 -2.536 -3.389 1.00 0.00 N ATOM 57 CA 314 A 4 5.321 -2.328 -4.000 1.00 0.00 C ATOM 58 C 314 A 4 6.125 -1.169 -3.411 1.00 0.00 C ATOM 59 O 314 A 4 5.704 -0.601 -2.433 1.00 0.00 O ATOM 60 CA1 314 A 4 2.939 -2.945 -4.294 1.00 0.00 C ATOM 61 CB 314 A 4 2.777 -4.460 -4.473 1.00 0.00 C ATOM 62 CG 314 A 4 1.804 -5.114 -3.440 1.00 0.00 C ATOM 63 OD1 314 A 4 2.325 -5.467 -2.372 1.00 0.00 O ATOM 64 OD2 314 A 4 0.629 -5.159 -3.789 1.00 0.00 O ATOM 65 1HA2 314 A 4 5.187 -2.182 -5.061 1.00 0.00 H ATOM 66 2HA2 314 A 4 5.947 -3.198 -3.852 1.00 0.00 H ATOM 67 1HA1 314 A 4 2.027 -2.509 -3.899 1.00 0.00 H ATOM 68 2HA1 314 A 4 3.105 -2.505 -5.261 1.00 0.00 H ATOM 69 1HB 314 A 4 2.352 -4.663 -5.455 1.00 0.00 H ATOM 70 2HB 314 A 4 3.730 -4.975 -4.437 1.00 0.00 H ATOM 71 N 101 A 5 7.297 -0.808 -3.994 1.00 0.00 N ATOM 72 CA 101 A 5 8.352 -1.788 -3.943 1.00 0.00 C ATOM 73 C 101 A 5 8.110 -2.823 -2.840 1.00 0.00 C ATOM 74 O 101 A 5 7.062 -2.848 -2.251 1.00 0.00 O ATOM 75 CA1 101 A 5 7.438 0.244 -4.987 1.00 0.00 C ATOM 76 CB 101 A 5 6.814 -0.102 -6.329 1.00 0.00 C ATOM 77 CG1 101 A 5 5.488 0.207 -6.615 1.00 0.00 C ATOM 78 CG2 101 A 5 7.560 -0.780 -7.283 1.00 0.00 C ATOM 79 CD1 101 A 5 4.923 -0.161 -7.824 1.00 0.00 C ATOM 80 CD2 101 A 5 6.995 -1.153 -8.494 1.00 0.00 C ATOM 81 CE 101 A 5 5.674 -0.844 -8.768 1.00 0.00 C ATOM 82 1HA 101 A 5 8.403 -2.297 -4.899 1.00 0.00 H ATOM 83 2HA 101 A 5 9.290 -1.282 -3.786 1.00 0.00 H ATOM 84 1HA1 101 A 5 6.998 1.155 -4.601 1.00 0.00 H ATOM 85 2HA1 101 A 5 8.487 0.452 -5.133 1.00 0.00 H ATOM 86 1HG1 101 A 5 4.900 0.744 -5.893 1.00 0.00 H ATOM 87 1HG2 101 A 5 8.590 -1.020 -7.082 1.00 0.00 H ATOM 88 1HD1 101 A 5 3.896 0.086 -8.030 1.00 0.00 H ATOM 89 1HD2 101 A 5 7.589 -1.677 -9.221 1.00 0.00 H ATOM 90 1HE 101 A 5 5.235 -1.128 -9.707 1.00 0.00 H ATOM 91 N 314 A 6 9.102 -3.721 -2.611 1.00 0.00 N ATOM 92 CA 314 A 6 9.437 -4.670 -3.650 1.00 0.00 C ATOM 93 C 314 A 6 8.344 -4.877 -4.700 1.00 0.00 C ATOM 94 O 314 A 6 7.362 -4.177 -4.670 1.00 0.00 O ATOM 95 CA1 314 A 6 9.585 -4.042 -1.258 1.00 0.00 C ATOM 96 CB 314 A 6 10.975 -3.490 -0.916 1.00 0.00 C ATOM 97 CG 314 A 6 10.944 -2.065 -0.277 1.00 0.00 C ATOM 98 OD1 314 A 6 10.956 -1.123 -1.083 1.00 0.00 O ATOM 99 OD2 314 A 6 10.866 -2.045 0.946 1.00 0.00 O ATOM 100 1HA2 314 A 6 9.692 -5.614 -3.193 1.00 0.00 H ATOM 101 2HA2 314 A 6 10.293 -4.321 -4.212 1.00 0.00 H ATOM 102 1HA1 314 A 6 8.843 -3.660 -0.566 1.00 0.00 H ATOM 103 2HA1 314 A 6 9.607 -5.111 -1.139 1.00 0.00 H ATOM 104 1HB 314 A 6 11.448 -4.138 -0.179 1.00 0.00 H ATOM 105 2HB 314 A 6 11.629 -3.478 -1.780 1.00 0.00 H ATOM 106 N 101 A 7 8.504 -5.839 -5.646 1.00 0.00 N ATOM 107 CA 101 A 7 9.590 -5.635 -6.572 1.00 0.00 C ATOM 108 C 101 A 7 10.032 -4.168 -6.611 1.00 0.00 C ATOM 109 O 101 A 7 9.596 -3.381 -5.813 1.00 0.00 O ATOM 110 CA1 101 A 7 7.983 -7.191 -5.549 1.00 0.00 C ATOM 111 CB 101 A 7 8.681 -8.035 -4.495 1.00 0.00 C ATOM 112 CG1 101 A 7 8.228 -8.078 -3.181 1.00 0.00 C ATOM 113 CG2 101 A 7 9.823 -8.751 -4.829 1.00 0.00 C ATOM 114 CD1 101 A 7 8.907 -8.813 -2.224 1.00 0.00 C ATOM 115 CD2 101 A 7 10.507 -9.485 -3.872 1.00 0.00 C ATOM 116 CE 101 A 7 10.051 -9.518 -2.566 1.00 0.00 C ATOM 117 1HA 101 A 7 10.430 -6.247 -6.265 1.00 0.00 H ATOM 118 2HA 101 A 7 9.280 -5.961 -7.550 1.00 0.00 H ATOM 119 1HA1 101 A 7 6.921 -7.146 -5.339 1.00 0.00 H ATOM 120 2HA1 101 A 7 8.082 -7.677 -6.507 1.00 0.00 H ATOM 121 1HG1 101 A 7 7.338 -7.541 -2.908 1.00 0.00 H ATOM 122 1HG2 101 A 7 10.182 -8.736 -5.844 1.00 0.00 H ATOM 123 1HD1 101 A 7 8.544 -8.835 -1.212 1.00 0.00 H ATOM 124 1HD2 101 A 7 11.390 -10.034 -4.150 1.00 0.00 H ATOM 125 1HE 101 A 7 10.577 -10.090 -1.823 1.00 0.00 H ATOM 126 N 314 A 8 10.961 -3.830 -7.542 1.00 0.00 N ATOM 127 CA 314 A 8 12.289 -4.395 -7.437 1.00 0.00 C ATOM 128 C 314 A 8 12.647 -4.928 -6.049 1.00 0.00 C ATOM 129 O 314 A 8 11.796 -4.959 -5.195 1.00 0.00 O ATOM 130 CA1 314 A 8 10.824 -2.648 -8.407 1.00 0.00 C ATOM 131 CB 314 A 8 10.498 -2.951 -9.876 1.00 0.00 C ATOM 132 CG 314 A 8 8.967 -3.019 -10.178 1.00 0.00 C ATOM 133 OD1 314 A 8 8.443 -4.129 -10.009 1.00 0.00 O ATOM 134 OD2 314 A 8 8.454 -1.954 -10.503 1.00 0.00 O ATOM 135 1HA2 314 A 8 13.009 -3.652 -7.743 1.00 0.00 H ATOM 136 2HA2 314 A 8 12.383 -5.251 -8.091 1.00 0.00 H ATOM 137 1HA1 314 A 8 10.050 -2.029 -7.966 1.00 0.00 H ATOM 138 2HA1 314 A 8 11.738 -2.082 -8.373 1.00 0.00 H ATOM 139 1HB 314 A 8 10.893 -2.153 -10.504 1.00 0.00 H ATOM 140 2HB 314 A 8 10.968 -3.869 -10.212 1.00 0.00 H ATOM 141 N 101 A 9 13.912 -5.362 -5.809 1.00 0.00 N ATOM 142 CA 101 A 9 14.327 -6.527 -6.550 1.00 0.00 C ATOM 143 C 101 A 9 13.127 -7.318 -7.081 1.00 0.00 C ATOM 144 O 101 A 9 12.017 -6.864 -6.997 1.00 0.00 O ATOM 145 CA1 101 A 9 14.970 -4.551 -5.232 1.00 0.00 C ATOM 146 CB 101 A 9 15.465 -3.452 -6.158 1.00 0.00 C ATOM 147 CG1 101 A 9 14.890 -2.185 -6.154 1.00 0.00 C ATOM 148 CG2 101 A 9 16.483 -3.718 -7.063 1.00 0.00 C ATOM 149 CD1 101 A 9 15.321 -1.213 -7.040 1.00 0.00 C ATOM 150 CD2 101 A 9 16.915 -2.747 -7.954 1.00 0.00 C ATOM 151 CE 101 A 9 16.334 -1.490 -7.945 1.00 0.00 C ATOM 152 1HA 101 A 9 14.938 -6.209 -7.387 1.00 0.00 H ATOM 153 2HA 101 A 9 14.935 -7.147 -5.912 1.00 0.00 H ATOM 154 1HA1 101 A 9 14.616 -4.119 -4.304 1.00 0.00 H ATOM 155 2HA1 101 A 9 15.800 -5.189 -4.972 1.00 0.00 H ATOM 156 1HG1 101 A 9 14.110 -1.957 -5.451 1.00 0.00 H ATOM 157 1HG2 101 A 9 16.945 -4.690 -7.074 1.00 0.00 H ATOM 158 1HD1 101 A 9 14.866 -0.238 -7.024 1.00 0.00 H ATOM 159 1HD2 101 A 9 17.706 -2.971 -8.647 1.00 0.00 H ATOM 160 1HE 101 A 9 16.669 -0.734 -8.631 1.00 0.00 H ATOM 161 N 314 A 10 13.391 -8.505 -7.683 1.00 0.00 N ATOM 162 CA 314 A 10 14.144 -8.507 -8.919 1.00 0.00 C ATOM 163 C 314 A 10 14.156 -7.169 -9.660 1.00 0.00 C ATOM 164 O 314 A 10 13.664 -6.203 -9.133 1.00 0.00 O ATOM 165 CA1 314 A 10 12.642 -9.735 -7.377 1.00 0.00 C ATOM 166 CB 314 A 10 13.417 -10.783 -6.567 1.00 0.00 C ATOM 167 CG 314 A 10 13.263 -10.622 -5.021 1.00 0.00 C ATOM 168 OD1 314 A 10 14.076 -9.854 -4.486 1.00 0.00 O ATOM 169 OD2 314 A 10 12.326 -11.237 -4.525 1.00 0.00 O ATOM 170 1HA2 314 A 10 13.756 -9.281 -9.563 1.00 0.00 H ATOM 171 2HA2 314 A 10 15.186 -8.719 -8.721 1.00 0.00 H ATOM 172 1HA1 314 A 10 11.748 -9.428 -6.845 1.00 0.00 H ATOM 173 2HA1 314 A 10 12.321 -10.188 -8.298 1.00 0.00 H ATOM 174 1HB 314 A 10 13.035 -11.775 -6.805 1.00 0.00 H ATOM 175 2HB 314 A 10 14.471 -10.791 -6.820 1.00 0.00 H ATOM 176 N 101 A 11 14.725 -7.096 -10.891 1.00 0.00 N ATOM 177 CA 101 A 11 16.146 -7.329 -10.941 1.00 0.00 C ATOM 178 C 101 A 11 16.800 -7.132 -9.570 1.00 0.00 C ATOM 179 O 101 A 11 16.121 -6.975 -8.590 1.00 0.00 O ATOM 180 CA1 101 A 11 14.004 -7.226 -12.146 1.00 0.00 C ATOM 181 CB 101 A 11 13.490 -8.632 -12.407 1.00 0.00 C ATOM 182 CG1 101 A 11 12.231 -9.038 -11.977 1.00 0.00 C ATOM 183 CG2 101 A 11 14.304 -9.556 -13.050 1.00 0.00 C ATOM 184 CD1 101 A 11 11.802 -10.338 -12.181 1.00 0.00 C ATOM 185 CD2 101 A 11 13.877 -10.860 -13.252 1.00 0.00 C ATOM 186 CE 101 A 11 12.624 -11.255 -12.818 1.00 0.00 C ATOM 187 1HA 101 A 11 16.322 -8.347 -11.272 1.00 0.00 H ATOM 188 2HA 101 A 11 16.584 -6.663 -11.666 1.00 0.00 H ATOM 189 1HA1 101 A 11 13.178 -6.526 -12.152 1.00 0.00 H ATOM 190 2HA1 101 A 11 14.653 -6.935 -12.957 1.00 0.00 H ATOM 191 1HG1 101 A 11 11.583 -8.332 -11.491 1.00 0.00 H ATOM 192 1HG2 101 A 11 15.278 -9.257 -13.397 1.00 0.00 H ATOM 193 1HD1 101 A 11 10.825 -10.636 -11.843 1.00 0.00 H ATOM 194 1HD2 101 A 11 14.521 -11.561 -13.753 1.00 0.00 H ATOM 195 1HE 101 A 11 12.289 -12.264 -12.976 1.00 0.00 H ATOM 196 N 314 A 12 18.156 -7.198 -9.519 1.00 0.00 N ATOM 197 CA 314 A 12 18.804 -8.454 -9.827 1.00 0.00 C ATOM 198 C 314 A 12 17.900 -9.682 -9.715 1.00 0.00 C ATOM 199 O 314 A 12 16.723 -9.526 -9.507 1.00 0.00 O ATOM 200 CA1 314 A 12 18.973 -6.202 -8.806 1.00 0.00 C ATOM 201 CB 314 A 12 19.762 -5.243 -9.708 1.00 0.00 C ATOM 202 CG 314 A 12 18.979 -3.943 -10.078 1.00 0.00 C ATOM 203 OD1 314 A 12 18.260 -4.027 -11.084 1.00 0.00 O ATOM 204 OD2 314 A 12 19.132 -3.006 -9.302 1.00 0.00 O ATOM 205 1HA2 314 A 12 19.664 -8.569 -9.185 1.00 0.00 H ATOM 206 2HA2 314 A 12 19.143 -8.457 -10.855 1.00 0.00 H ATOM 207 1HA1 314 A 12 18.296 -5.650 -8.163 1.00 0.00 H ATOM 208 2HA1 314 A 12 19.668 -6.715 -8.166 1.00 0.00 H ATOM 209 1HB 314 A 12 20.659 -4.915 -9.184 1.00 0.00 H ATOM 210 2HB 314 A 12 20.097 -5.728 -10.618 1.00 0.00 H ATOM 211 N 101 A 13 18.440 -10.920 -9.858 1.00 0.00 N ATOM 212 CA 101 A 13 18.977 -11.225 -11.160 1.00 0.00 C ATOM 213 C 101 A 13 18.406 -10.298 -12.238 1.00 0.00 C ATOM 214 O 101 A 13 17.735 -9.349 -11.930 1.00 0.00 O ATOM 215 CA1 101 A 13 18.890 -11.759 -8.760 1.00 0.00 C ATOM 216 CB 101 A 13 20.138 -11.236 -8.070 1.00 0.00 C ATOM 217 CG1 101 A 13 20.060 -10.365 -6.988 1.00 0.00 C ATOM 218 CG2 101 A 13 21.392 -11.593 -8.547 1.00 0.00 C ATOM 219 CD1 101 A 13 21.208 -9.860 -6.404 1.00 0.00 C ATOM 220 CD2 101 A 13 22.545 -11.085 -7.966 1.00 0.00 C ATOM 221 CE 101 A 13 22.456 -10.217 -6.892 1.00 0.00 C ATOM 222 1HA 101 A 13 20.055 -11.109 -11.130 1.00 0.00 H ATOM 223 2HA 101 A 13 18.760 -12.254 -11.395 1.00 0.00 H ATOM 224 1HA1 101 A 13 18.087 -11.860 -8.041 1.00 0.00 H ATOM 225 2HA1 101 A 13 19.088 -12.752 -9.134 1.00 0.00 H ATOM 226 1HG1 101 A 13 19.097 -10.090 -6.596 1.00 0.00 H ATOM 227 1HG2 101 A 13 21.472 -12.272 -9.378 1.00 0.00 H ATOM 228 1HD1 101 A 13 21.130 -9.188 -5.567 1.00 0.00 H ATOM 229 1HD2 101 A 13 23.508 -11.373 -8.349 1.00 0.00 H ATOM 230 1HE 101 A 13 23.348 -9.824 -6.437 1.00 0.00 H ATOM 231 N 314 A 14 18.740 -10.573 -13.526 1.00 0.00 N ATOM 232 CA 314 A 14 20.125 -10.452 -13.927 1.00 0.00 C ATOM 233 C 314 A 14 20.983 -9.585 -13.005 1.00 0.00 C ATOM 234 O 314 A 14 20.506 -9.173 -11.977 1.00 0.00 O ATOM 235 CA1 314 A 14 17.748 -10.605 -14.613 1.00 0.00 C ATOM 236 CB 314 A 14 17.415 -12.004 -15.148 1.00 0.00 C ATOM 237 CG 314 A 14 16.227 -12.693 -14.404 1.00 0.00 C ATOM 238 OD1 314 A 14 16.539 -13.339 -13.393 1.00 0.00 O ATOM 239 OD2 314 A 14 15.119 -12.475 -14.881 1.00 0.00 O ATOM 240 1HA2 314 A 14 20.164 -10.069 -14.935 1.00 0.00 H ATOM 241 2HA2 314 A 14 20.603 -11.423 -13.913 1.00 0.00 H ATOM 242 1HA1 314 A 14 16.856 -10.120 -14.232 1.00 0.00 H ATOM 243 2HA1 314 A 14 18.107 -10.006 -15.431 1.00 0.00 H ATOM 244 1HB 314 A 14 17.111 -11.927 -16.191 1.00 0.00 H ATOM 245 2HB 314 A 14 18.277 -12.661 -15.125 1.00 0.00 H ATOM 246 N 101 A 15 22.264 -9.303 -13.359 1.00 0.00 N ATOM 247 CA 101 A 15 23.162 -10.429 -13.416 1.00 0.00 C ATOM 248 C 101 A 15 22.630 -11.618 -12.610 1.00 0.00 C ATOM 249 O 101 A 15 21.515 -11.597 -12.160 1.00 0.00 O ATOM 250 CA1 101 A 15 22.682 -8.105 -14.066 1.00 0.00 C ATOM 251 CB 101 A 15 22.215 -8.059 -15.512 1.00 0.00 C ATOM 252 CG1 101 A 15 20.997 -7.489 -15.864 1.00 0.00 C ATOM 253 CG2 101 A 15 22.994 -8.635 -16.507 1.00 0.00 C ATOM 254 CD1 101 A 15 20.566 -7.502 -17.179 1.00 0.00 C ATOM 255 CD2 101 A 15 22.563 -8.652 -17.825 1.00 0.00 C ATOM 256 CE 101 A 15 21.347 -8.086 -18.165 1.00 0.00 C ATOM 257 1HA 101 A 15 23.280 -10.729 -14.451 1.00 0.00 H ATOM 258 2HA 101 A 15 24.127 -10.124 -13.046 1.00 0.00 H ATOM 259 1HA1 101 A 15 22.317 -7.236 -13.534 1.00 0.00 H ATOM 260 2HA1 101 A 15 23.759 -8.042 -14.045 1.00 0.00 H ATOM 261 1HG1 101 A 15 20.388 -7.026 -15.108 1.00 0.00 H ATOM 262 1HG2 101 A 15 23.944 -9.073 -16.253 1.00 0.00 H ATOM 263 1HD1 101 A 15 19.621 -7.057 -17.436 1.00 0.00 H ATOM 264 1HD2 101 A 15 23.180 -9.102 -18.583 1.00 0.00 H ATOM 265 1HE 101 A 15 21.012 -8.094 -19.187 1.00 0.00 H ATOM 266 N 314 A 16 23.452 -12.692 -12.482 1.00 0.00 N ATOM 267 CA 314 A 16 23.803 -13.445 -13.667 1.00 0.00 C ATOM 268 C 314 A 16 22.853 -13.251 -14.850 1.00 0.00 C ATOM 269 O 314 A 16 21.978 -12.424 -14.770 1.00 0.00 O ATOM 270 CA1 314 A 16 23.690 -13.360 -11.193 1.00 0.00 C ATOM 271 CB 314 A 16 25.078 -13.121 -10.584 1.00 0.00 C ATOM 272 CG 314 A 16 25.145 -11.874 -9.646 1.00 0.00 C ATOM 273 OD1 314 A 16 25.396 -10.799 -10.211 1.00 0.00 O ATOM 274 OD2 314 A 16 24.897 -12.097 -8.466 1.00 0.00 O ATOM 275 1HA2 314 A 16 23.863 -14.491 -13.410 1.00 0.00 H ATOM 276 2HA2 314 A 16 24.769 -13.129 -14.038 1.00 0.00 H ATOM 277 1HA1 314 A 16 22.914 -13.017 -10.518 1.00 0.00 H ATOM 278 2HA1 314 A 16 23.553 -14.420 -11.318 1.00 0.00 H ATOM 279 1HB 314 A 16 25.351 -13.976 -9.966 1.00 0.00 H ATOM 280 2HB 314 A 16 25.844 -13.035 -11.346 1.00 0.00 H ATOM 281 N 101 A 17 23.018 -14.008 -15.966 1.00 0.00 N ATOM 282 CA 101 A 17 24.242 -13.793 -16.696 1.00 0.00 C ATOM 283 C 101 A 17 24.875 -12.440 -16.353 1.00 0.00 C ATOM 284 O 101 A 17 24.437 -11.777 -15.450 1.00 0.00 O ATOM 285 CA1 101 A 17 22.314 -15.250 -16.236 1.00 0.00 C ATOM 286 CB 101 A 17 22.737 -16.395 -15.331 1.00 0.00 C ATOM 287 CG1 101 A 17 22.100 -16.637 -14.118 1.00 0.00 C ATOM 288 CG2 101 A 17 23.810 -17.199 -15.691 1.00 0.00 C ATOM 289 CD1 101 A 17 22.532 -17.653 -13.284 1.00 0.00 C ATOM 290 CD2 101 A 17 24.247 -18.216 -14.856 1.00 0.00 C ATOM 291 CE 101 A 17 23.609 -18.447 -13.650 1.00 0.00 C ATOM 292 1HA 101 A 17 24.941 -14.582 -16.445 1.00 0.00 H ATOM 293 2HA 101 A 17 24.034 -13.854 -17.751 1.00 0.00 H ATOM 294 1HA1 101 A 17 21.249 -15.079 -16.139 1.00 0.00 H ATOM 295 2HA1 101 A 17 22.483 -15.535 -17.262 1.00 0.00 H ATOM 296 1HG1 101 A 17 21.258 -16.033 -13.830 1.00 0.00 H ATOM 297 1HG2 101 A 17 24.309 -17.032 -16.630 1.00 0.00 H ATOM 298 1HD1 101 A 17 22.028 -17.828 -12.350 1.00 0.00 H ATOM 299 1HD2 101 A 17 25.080 -18.829 -15.152 1.00 0.00 H ATOM 300 1HE 101 A 17 23.944 -19.237 -13.002 1.00 0.00 H ATOM 301 N 314 A 18 25.963 -12.069 -17.075 1.00 0.00 N ATOM 302 CA 314 A 18 27.177 -12.849 -16.955 1.00 0.00 C ATOM 303 C 314 A 18 27.259 -13.710 -15.693 1.00 0.00 C ATOM 304 O 314 A 18 27.457 -14.894 -15.804 1.00 0.00 O ATOM 305 CA1 314 A 18 26.109 -10.726 -17.659 1.00 0.00 C ATOM 306 CB 314 A 18 25.959 -10.662 -19.185 1.00 0.00 C ATOM 307 CG 314 A 18 24.491 -10.419 -19.661 1.00 0.00 C ATOM 308 OD1 314 A 18 23.805 -11.442 -19.807 1.00 0.00 O ATOM 309 OD2 314 A 18 24.174 -9.241 -19.790 1.00 0.00 O ATOM 310 1HA2 314 A 18 28.025 -12.184 -17.004 1.00 0.00 H ATOM 311 2HA2 314 A 18 27.249 -13.554 -17.772 1.00 0.00 H ATOM 312 1HA1 314 A 18 25.369 -10.097 -17.177 1.00 0.00 H ATOM 313 2HA1 314 A 18 27.075 -10.334 -17.397 1.00 0.00 H ATOM 314 1HB 314 A 18 26.540 -9.824 -19.568 1.00 0.00 H ATOM 315 2HB 314 A 18 26.346 -11.552 -19.667 1.00 0.00 H TER CONECT 2 1 CONECT 3 2 CONECT 4 3 CONECT 5 1 CONECT 6 5 CONECT 7 6 CONECT 8 6 CONECT 9 7 CONECT 10 8 CONECT 11 9 10 CONECT 12 2 CONECT 13 2 CONECT 14 5 CONECT 15 5 CONECT 16 7 CONECT 17 8 CONECT 18 9 CONECT 19 10 CONECT 20 11 CONECT 21 3 CONECT 22 21 CONECT 23 22 CONECT 24 23 CONECT 25 21 CONECT 26 25 CONECT 27 26 CONECT 28 27 CONECT 29 27 CONECT 30 22 CONECT 31 22 CONECT 32 25 CONECT 33 25 CONECT 34 26 CONECT 35 26 CONECT 36 23 CONECT 37 36 CONECT 38 37 CONECT 39 38 CONECT 40 36 CONECT 41 40 CONECT 42 41 CONECT 43 41 CONECT 44 42 CONECT 45 43 CONECT 46 44 45 CONECT 47 37 CONECT 48 37 CONECT 49 40 CONECT 50 40 CONECT 51 42 CONECT 52 43 CONECT 53 44 CONECT 54 45 CONECT 55 46 CONECT 56 38 CONECT 57 56 CONECT 58 57 CONECT 59 58 CONECT 60 56 CONECT 61 60 CONECT 62 61 CONECT 63 62 CONECT 64 62 CONECT 65 57 CONECT 66 57 CONECT 67 60 CONECT 68 60 CONECT 69 61 CONECT 70 61 CONECT 71 58 CONECT 72 71 CONECT 73 72 CONECT 74 73 CONECT 75 71 CONECT 76 75 CONECT 77 76 CONECT 78 76 CONECT 79 77 CONECT 80 78 CONECT 81 79 80 CONECT 82 72 CONECT 83 72 CONECT 84 75 CONECT 85 75 CONECT 86 77 CONECT 87 78 CONECT 88 79 CONECT 89 80 CONECT 90 81 CONECT 91 73 CONECT 92 91 CONECT 93 92 CONECT 94 93 CONECT 95 91 CONECT 96 95 CONECT 97 96 CONECT 98 97 CONECT 99 97 CONECT 100 92 CONECT 101 92 CONECT 102 95 CONECT 103 95 CONECT 104 96 CONECT 105 96 CONECT 106 93 CONECT 107 106 CONECT 108 107 CONECT 109 108 CONECT 110 106 CONECT 111 110 CONECT 112 111 CONECT 113 111 CONECT 114 112 CONECT 115 113 CONECT 116 114 115 CONECT 117 107 CONECT 118 107 CONECT 119 110 CONECT 120 110 CONECT 121 112 CONECT 122 113 CONECT 123 114 CONECT 124 115 CONECT 125 116 CONECT 126 108 CONECT 127 126 CONECT 128 127 CONECT 129 128 CONECT 130 126 CONECT 131 130 CONECT 132 131 CONECT 133 132 CONECT 134 132 CONECT 135 127 CONECT 136 127 CONECT 137 130 CONECT 138 130 CONECT 139 131 CONECT 140 131 CONECT 141 128 CONECT 142 141 CONECT 143 142 CONECT 144 143 CONECT 145 141 CONECT 146 145 CONECT 147 146 CONECT 148 146 CONECT 149 147 CONECT 150 148 CONECT 151 149 150 CONECT 152 142 CONECT 153 142 CONECT 154 145 CONECT 155 145 CONECT 156 147 CONECT 157 148 CONECT 158 149 CONECT 159 150 CONECT 160 151 CONECT 161 143 CONECT 162 161 CONECT 163 162 CONECT 164 163 CONECT 165 161 CONECT 166 165 CONECT 167 166 CONECT 168 167 CONECT 169 167 CONECT 170 162 CONECT 171 162 CONECT 172 165 CONECT 173 165 CONECT 174 166 CONECT 175 166 CONECT 176 163 CONECT 177 176 CONECT 178 177 CONECT 179 178 CONECT 180 176 CONECT 181 180 CONECT 182 181 CONECT 183 181 CONECT 184 182 CONECT 185 183 CONECT 186 184 185 CONECT 187 177 CONECT 188 177 CONECT 189 180 CONECT 190 180 CONECT 191 182 CONECT 192 183 CONECT 193 184 CONECT 194 185 CONECT 195 186 CONECT 196 178 CONECT 197 196 CONECT 198 197 CONECT 199 198 CONECT 200 196 CONECT 201 200 CONECT 202 201 CONECT 203 202 CONECT 204 202 CONECT 205 197 CONECT 206 197 CONECT 207 200 CONECT 208 200 CONECT 209 201 CONECT 210 201 CONECT 211 198 CONECT 212 211 CONECT 213 212 CONECT 214 213 CONECT 215 211 CONECT 216 215 CONECT 217 216 CONECT 218 216 CONECT 219 217 CONECT 220 218 CONECT 221 219 220 CONECT 222 212 CONECT 223 212 CONECT 224 215 CONECT 225 215 CONECT 226 217 CONECT 227 218 CONECT 228 219 CONECT 229 220 CONECT 230 221 CONECT 231 213 CONECT 232 231 CONECT 233 232 CONECT 234 233 CONECT 235 231 CONECT 236 235 CONECT 237 236 CONECT 238 237 CONECT 239 237 CONECT 240 232 CONECT 241 232 CONECT 242 235 CONECT 243 235 CONECT 244 236 CONECT 245 236 CONECT 246 233 CONECT 247 246 CONECT 248 247 CONECT 249 248 CONECT 250 246 CONECT 251 250 CONECT 252 251 CONECT 253 251 CONECT 254 252 CONECT 255 253 CONECT 256 254 255 CONECT 257 247 CONECT 258 247 CONECT 259 250 CONECT 260 250 CONECT 261 252 CONECT 262 253 CONECT 263 254 CONECT 264 255 CONECT 265 256 CONECT 266 248 CONECT 267 266 CONECT 268 267 CONECT 269 268 CONECT 270 266 CONECT 271 270 CONECT 272 271 CONECT 273 272 CONECT 274 272 CONECT 275 267 CONECT 276 267 CONECT 277 270 CONECT 278 270 CONECT 279 271 CONECT 280 271 CONECT 281 268 CONECT 282 281 CONECT 283 282 CONECT 284 283 CONECT 285 281 CONECT 286 285 CONECT 287 286 CONECT 288 286 CONECT 289 287 CONECT 290 288 CONECT 291 289 290 CONECT 292 282 CONECT 293 282 CONECT 294 285 CONECT 295 285 CONECT 296 287 CONECT 297 288 CONECT 298 289 CONECT 299 290 CONECT 300 291 CONECT 301 283 CONECT 302 301 CONECT 303 302 CONECT 304 303 CONECT 305 301 CONECT 306 305 CONECT 307 306 CONECT 308 307 CONECT 309 307 CONECT 310 302 CONECT 311 302 CONECT 312 305 CONECT 313 305 CONECT 314 306 CONECT 315 306 # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE label fa_atr fa_rep fa_sol mm_lj_intra_rep mm_lj_intra_atr mm_twist pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_ss_dst dslf_cs_ang dslf_ss_dih dslf_ca_dih total weights 0.8 0.634454 1.16497 0.324341 0.537815 0.2662 1.44777 0.656728 1.50186 1.45367 1.18477 0.5 2 5 5 NA pose -65.8626 1243.01 63.8322 55.9089 -22.2091 99.4193 0 0 0 0 0 0 0 0 0 1374.1 101_1 -1.83697 231.397 1.89594 9.61482 -1.9022 0.17799 0 0 0 0 0 0 0 0 0 239.347 314_2 -2.89696 242.705 2.76168 0.75265 -0.94087 4.05557 0 0 0 0 0 0 0 0 0 246.437 101_3 -4.11565 57.4787 3.90906 4.95796 -1.48363 5.87468 0 0 0 0 0 0 0 0 0 66.6211 314_4 -3.1239 26.288 3.09816 0.75265 -0.94087 6.43784 0 0 0 0 0 0 0 0 0 32.5119 101_5 -4.32838 54.3314 4.10573 4.95796 -1.48363 5.87468 0 0 0 0 0 0 0 0 0 63.4578 314_6 -3.90819 52.4003 3.93165 0.75265 -0.94087 6.43784 0 0 0 0 0 0 0 0 0 58.6734 101_7 -4.32838 54.3314 4.10573 4.95796 -1.48363 5.87468 0 0 0 0 0 0 0 0 0 63.4578 314_8 -3.90819 52.4003 3.93165 0.75265 -0.94087 6.43784 0 0 0 0 0 0 0 0 0 58.6734 101_9 -4.32838 54.3314 4.10573 4.95796 -1.48363 5.87468 0 0 0 0 0 0 0 0 0 63.4578 314_10 -3.90819 52.4003 3.93165 0.75265 -0.94087 6.43784 0 0 0 0 0 0 0 0 0 58.6734 101_11 -4.32838 54.3314 4.10573 4.95796 -1.48363 5.87468 0 0 0 0 0 0 0 0 0 63.4578 314_12 -3.90819 52.4003 3.93165 0.75265 -0.94087 6.43784 0 0 0 0 0 0 0 0 0 58.6734 101_13 -4.32838 54.3314 4.10573 4.95796 -1.48363 5.87468 0 0 0 0 0 0 0 0 0 63.4578 314_14 -3.90819 52.4003 3.93165 0.75265 -0.94087 6.43784 0 0 0 0 0 0 0 0 0 58.6734 101_15 -4.30358 54.3314 4.06572 4.95796 -1.48363 5.87468 0 0 0 0 0 0 0 0 0 63.4425 314_16 -3.71467 50.3443 3.57086 0.75265 -0.94087 6.43784 0 0 0 0 0 0 0 0 0 56.4501 101_17 -2.69472 19.5676 2.37715 4.95796 -1.48363 5.87468 0 0 0 0 0 0 0 0 0 28.599 314_18 -1.99324 27.2375 1.96669 0.6092 -0.91091 3.12342 0 0 0 0 0 0 0 0 0 30.0327 #END_POSE_ENERGIES_TABLE END SS: LLLLLLLLLLLLLLLLLL SCORE_INFO: TOTAL_SCORE: 1374.1 WTS: fa_atr: 0.8 fa_rep: 0.634454 fa_sol: 1.16497 mm_lj_intra_rep: 0.324341 mm_lj_intra_atr: 0.537815 mm_twist: 0.2662 pro_close: 1.44777 hbond_sr_bb: 0.656728 hbond_lr_bb: 1.50186 hbond_bb_sc: 1.45367 hbond_sc: 1.18477 dslf_ss_dst: 0.5 dslf_cs_ang: 2 dslf_ss_dih: 5 dslf_ca_dih: 5 TOTAL_WTD: fa_atr: -65.863 fa_rep: 1243.009 fa_sol: 63.832 mm_lj_intra_rep: 55.909 mm_lj_intra_atr: -22.209 mm_twist: 99.419 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_ss_dst: 0.000 dslf_cs_ang: 0.000 dslf_ss_dih: 0.000 dslf_ca_dih: 0.000 RSD_WTD: 1 fa_atr: -1.837 fa_rep: 231.397 fa_sol: 1.896 mm_lj_intra_rep: 9.615 mm_lj_intra_atr: -1.902 mm_twist: 0.178 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_ss_dst: 0.000 dslf_cs_ang: 0.000 dslf_ss_dih: 0.000 dslf_ca_dih: 0.000 RSD_WTD: 2 fa_atr: -2.897 fa_rep: 242.705 fa_sol: 2.762 mm_lj_intra_rep: 0.753 mm_lj_intra_atr: -0.941 mm_twist: 4.056 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_ss_dst: 0.000 dslf_cs_ang: 0.000 dslf_ss_dih: 0.000 dslf_ca_dih: 0.000 RSD_WTD: 3 fa_atr: -4.116 fa_rep: 57.479 fa_sol: 3.909 mm_lj_intra_rep: 4.958 mm_lj_intra_atr: -1.484 mm_twist: 5.875 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_ss_dst: 0.000 dslf_cs_ang: 0.000 dslf_ss_dih: 0.000 dslf_ca_dih: 0.000 RSD_WTD: 4 fa_atr: -3.124 fa_rep: 26.288 fa_sol: 3.098 mm_lj_intra_rep: 0.753 mm_lj_intra_atr: -0.941 mm_twist: 6.438 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_ss_dst: 0.000 dslf_cs_ang: 0.000 dslf_ss_dih: 0.000 dslf_ca_dih: 0.000 RSD_WTD: 5 fa_atr: -4.328 fa_rep: 54.331 fa_sol: 4.106 mm_lj_intra_rep: 4.958 mm_lj_intra_atr: -1.484 mm_twist: 5.875 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_ss_dst: 0.000 dslf_cs_ang: 0.000 dslf_ss_dih: 0.000 dslf_ca_dih: 0.000 RSD_WTD: 6 fa_atr: -3.908 fa_rep: 52.400 fa_sol: 3.932 mm_lj_intra_rep: 0.753 mm_lj_intra_atr: -0.941 mm_twist: 6.438 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_ss_dst: 0.000 dslf_cs_ang: 0.000 dslf_ss_dih: 0.000 dslf_ca_dih: 0.000 RSD_WTD: 7 fa_atr: -4.328 fa_rep: 54.331 fa_sol: 4.106 mm_lj_intra_rep: 4.958 mm_lj_intra_atr: -1.484 mm_twist: 5.875 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_ss_dst: 0.000 dslf_cs_ang: 0.000 dslf_ss_dih: 0.000 dslf_ca_dih: 0.000 RSD_WTD: 8 fa_atr: -3.908 fa_rep: 52.400 fa_sol: 3.932 mm_lj_intra_rep: 0.753 mm_lj_intra_atr: -0.941 mm_twist: 6.438 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_ss_dst: 0.000 dslf_cs_ang: 0.000 dslf_ss_dih: 0.000 dslf_ca_dih: 0.000 RSD_WTD: 9 fa_atr: -4.328 fa_rep: 54.331 fa_sol: 4.106 mm_lj_intra_rep: 4.958 mm_lj_intra_atr: -1.484 mm_twist: 5.875 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_ss_dst: 0.000 dslf_cs_ang: 0.000 dslf_ss_dih: 0.000 dslf_ca_dih: 0.000 RSD_WTD: 10 fa_atr: -3.908 fa_rep: 52.400 fa_sol: 3.932 mm_lj_intra_rep: 0.753 mm_lj_intra_atr: -0.941 mm_twist: 6.438 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_ss_dst: 0.000 dslf_cs_ang: 0.000 dslf_ss_dih: 0.000 dslf_ca_dih: 0.000 RSD_WTD: 11 fa_atr: -4.328 fa_rep: 54.331 fa_sol: 4.106 mm_lj_intra_rep: 4.958 mm_lj_intra_atr: -1.484 mm_twist: 5.875 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_ss_dst: 0.000 dslf_cs_ang: 0.000 dslf_ss_dih: 0.000 dslf_ca_dih: 0.000 RSD_WTD: 12 fa_atr: -3.908 fa_rep: 52.400 fa_sol: 3.932 mm_lj_intra_rep: 0.753 mm_lj_intra_atr: -0.941 mm_twist: 6.438 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_ss_dst: 0.000 dslf_cs_ang: 0.000 dslf_ss_dih: 0.000 dslf_ca_dih: 0.000 RSD_WTD: 13 fa_atr: -4.328 fa_rep: 54.331 fa_sol: 4.106 mm_lj_intra_rep: 4.958 mm_lj_intra_atr: -1.484 mm_twist: 5.875 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_ss_dst: 0.000 dslf_cs_ang: 0.000 dslf_ss_dih: 0.000 dslf_ca_dih: 0.000 RSD_WTD: 14 fa_atr: -3.908 fa_rep: 52.400 fa_sol: 3.932 mm_lj_intra_rep: 0.753 mm_lj_intra_atr: -0.941 mm_twist: 6.438 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_ss_dst: 0.000 dslf_cs_ang: 0.000 dslf_ss_dih: 0.000 dslf_ca_dih: 0.000 RSD_WTD: 15 fa_atr: -4.304 fa_rep: 54.331 fa_sol: 4.066 mm_lj_intra_rep: 4.958 mm_lj_intra_atr: -1.484 mm_twist: 5.875 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_ss_dst: 0.000 dslf_cs_ang: 0.000 dslf_ss_dih: 0.000 dslf_ca_dih: 0.000 RSD_WTD: 16 fa_atr: -3.715 fa_rep: 50.344 fa_sol: 3.571 mm_lj_intra_rep: 0.753 mm_lj_intra_atr: -0.941 mm_twist: 6.438 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_ss_dst: 0.000 dslf_cs_ang: 0.000 dslf_ss_dih: 0.000 dslf_ca_dih: 0.000 RSD_WTD: 17 fa_atr: -2.695 fa_rep: 19.568 fa_sol: 2.377 mm_lj_intra_rep: 4.958 mm_lj_intra_atr: -1.484 mm_twist: 5.875 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_ss_dst: 0.000 dslf_cs_ang: 0.000 dslf_ss_dih: 0.000 dslf_ca_dih: 0.000 RSD_WTD: 18 fa_atr: -1.993 fa_rep: 27.238 fa_sol: 1.967 mm_lj_intra_rep: 0.609 mm_lj_intra_atr: -0.911 mm_twist: 3.123 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_ss_dst: 0.000 dslf_cs_ang: 0.000 dslf_ss_dih: 0.000 dslf_ca_dih: 0.000 ScoreFunction::show(): weights: (fa_atr 0.8) (fa_rep 0.634454) (fa_sol 1.16497) (mm_lj_intra_rep 0.324341) (mm_lj_intra_atr 0.537815) (mm_twist 0.2662) (pro_close 1.44777) (hbond_sr_bb 0.656728) (hbond_lr_bb 1.50186) (hbond_bb_sc 1.45367) (hbond_sc 1.18477) (dslf_ss_dst 0.5) (dslf_cs_ang 2) (dslf_ss_dih 5) (dslf_ca_dih 5) energy_method_options: EnergyMethodOptions::show: aa_composition_setup_files: EnergyMethodOptions::show: aspartimide_penalty_value: 25 EnergyMethodOptions::show: etable_type: FA_STANDARD_DEFAULT analytic_etable_evaluation: 1 EnergyMethodOptions::show: method_weights: free_res EnergyMethodOptions::show: unfolded_energies_type: UNFOLDED_MM_STD EnergyMethodOptions::show: split_unfolded_label_type: SPLIT_UNFOLDED_MM EnergyMethodOptions::show: split_unfolded_value_type: SPLIT_UNFOLDED_BOLTZ EnergyMethodOptions::show: atom_vdw_atom_type_set_name: centroid EnergyMethodOptions::show: exclude_protein_protein_fa_elec: false EnergyMethodOptions::show: exclude_monomer_fa_elec: false EnergyMethodOptions::show: elec_max_dis: 5.5 EnergyMethodOptions::show: elec_min_dis: 1.6 EnergyMethodOptions::show: elec_die: 10 EnergyMethodOptions::show: elec_no_dis_dep_die: false EnergyMethodOptions::show: elec_sigmoidal_die: false EnergyMethodOptions::show: elec_sigmoidal_D: 78 EnergyMethodOptions::show: elec_sigmoidal_D0: 2 EnergyMethodOptions::show: elec_sigmoidal_S: 0.36 EnergyMethodOptions::show: smooth_fa_elec: true EnergyMethodOptions::show: grpelec_fade_type: false EnergyMethodOptions::show: grpelec_fade_param1: 1 EnergyMethodOptions::show: grpelec_fade_param2: 1 EnergyMethodOptions::show: grpelec_fade_hbond: 0 EnergyMethodOptions::show: grp_cpfxn: 1 EnergyMethodOptions::show: elec_group_file: /scoring/score_functions/elec_group_def.dat EnergyMethodOptions::show: grpelec_context_dependent: 0 EnergyMethodOptions::show: use_polarization: true EnergyMethodOptions::show: use_gen_kirkwood: true EnergyMethodOptions::show: protein_dielectric: 1 EnergyMethodOptions::show: water_dielectric: 78.3 EnergyMethodOptions::show: exclude_DNA_DNA: true EnergyMethodOptions::show: exclude_intra_res_protein: true EnergyMethodOptions::show: put_intra_into_total: false EnergyMethodOptions::show: geom_sol_interres_path_distance_cutoff: false EnergyMethodOptions::show: geom_sol_intrares_path_distance_cutoff: true EnergyMethodOptions::show: eval_intrares_elec_ST_only: false EnergyMethodOptions::show: envsmooth_zero_negatives: false EnergyMethodOptions::show: cst_max_seq_sep: 18446744073709551615 EnergyMethodOptions::show: pb_bound_tag: bound EnergyMethodOptions::show: pb_unbound_tag: unbound EnergyMethodOptions::show: bond_angle_central_atoms_to_score: EnergyMethodOptions::show: bond_angle_residue_type_param_set: none HBondOptions::show: exclude_DNA_DNA: true HBondOptions::show: exclude_intra_res_protein_: true HBondOptions::show: exclude_intra_res_RNA_: false HBondOptions::show: put_intra_into_total_: false HBondOptions::show: exclude_self_hbonds: true HBondOptions::show: use_hb_env_dep: true HBondOptions::show: use_hb_env_dep_DNA: true HBondOptions::show: smooth_hb_env_dep: true HBondOptions::show: bb_donor_acceptor_check: true HBondOptions::show: decompose_bb_hb_into_pair_energies: false HBondOptions::show: params_database_tag_: sp2_elec_params HBondOptions::show: use_sp2_chi_penalty_: true HBondOptions::show: sp2_BAH180_rise_: 0.75 HBondOptions::show: sp2_outer_width_: 0.357 HBondOptions::show: measure_sp3acc_BAH_from_hvy_: true HBondOptions::show: fade_energy_: 1 HBondOptions::show: Mbhbond: false HbondOptions::show: mphbond: false HBondOptions::show: hbond_energy_shift: 0 RNA_EnergyMethodOptions::show: syn_G_potential_bonus: 0 RNA_EnergyMethodOptions::show: torsion_potential: ps_04282011 RNA_EnergyMethodOptions::show: suiteness_bonus: Richardson FreeDOF_Options::show: free_suite_bonus: -1 FreeDOF_Options::show: free_2HOprime_bonus: -0.5 FreeDOF_Options::show: free_sugar_bonus: -1 FreeDOF_Options::show: pack_phosphate_penalty: 0.25 FreeDOF_Options::show: free_side_chain_bonus: -0.5