EXPDTA THEORETICAL MODEL, MODELLER 9.15 2017/03/07 00:20:52 REMARK 6 MODELLER OBJECTIVE FUNCTION: -2238.6130 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 47.368 REMARK 6 SEQUENCE: model REMARK 6 DOPE score: -2238.61304 REMARK 6 GA341 score: 0.99999 REMARK 6 Normalized DOPE score: -1.49971 REMARK 6 TEMPLATE: 4d0eA02 ATOM 1 N ASN 10 19.862 -17.358 39.367 1.00 84.70 N ATOM 2 CA ASN 10 18.824 -16.423 39.808 1.00 84.70 C ATOM 3 CB ASN 10 19.401 -15.003 39.936 1.00 84.70 C ATOM 4 CG ASN 10 19.955 -14.582 38.584 1.00 84.70 C ATOM 5 OD1 ASN 10 19.274 -14.670 37.563 1.00 84.70 O ATOM 6 ND2 ASN 10 21.230 -14.110 38.575 1.00 84.70 N ATOM 7 C ASN 10 17.615 -16.391 38.937 1.00 84.70 C ATOM 8 O ASN 10 17.441 -17.209 38.036 1.00 84.70 O ATOM 9 N GLU 11 16.742 -15.415 39.212 1.00 99.19 N ATOM 10 CA GLU 11 15.491 -15.281 38.534 1.00 99.19 C ATOM 11 CB GLU 11 14.577 -14.207 39.146 1.00 99.19 C ATOM 12 CG GLU 11 13.934 -14.620 40.474 1.00 99.19 C ATOM 13 CD GLU 11 15.006 -14.639 41.557 1.00 99.19 C ATOM 14 OE1 GLU 11 15.804 -13.670 41.615 1.00 99.19 O ATOM 15 OE2 GLU 11 15.033 -15.624 42.348 1.00 99.19 O ATOM 16 C GLU 11 15.703 -14.937 37.093 1.00 99.19 C ATOM 17 O GLU 11 14.843 -15.222 36.268 1.00 99.19 O ATOM 18 N CYS 12 16.813 -14.253 36.759 1.00 64.40 N ATOM 19 CA CYS 12 17.094 -13.810 35.417 1.00 64.40 C ATOM 20 CB CYS 12 18.197 -12.734 35.335 1.00 64.40 C ATOM 21 SG CYS 12 17.711 -11.189 36.168 1.00 64.40 S ATOM 22 C CYS 12 17.455 -14.945 34.499 1.00 64.40 C ATOM 23 O CYS 12 17.368 -14.805 33.280 1.00 64.40 O ATOM 24 N ALA 13 17.872 -16.102 35.038 1.00 43.71 N ATOM 25 CA ALA 13 18.377 -17.174 34.217 1.00 43.71 C ATOM 26 CB ALA 13 18.735 -18.421 35.042 1.00 43.71 C ATOM 27 C ALA 13 17.363 -17.581 33.182 1.00 43.71 C ATOM 28 O ALA 13 17.724 -17.884 32.045 1.00 43.71 O ATOM 29 N SER 14 16.071 -17.614 33.553 1.00 59.16 N ATOM 30 CA SER 14 15.001 -18.024 32.679 1.00 59.16 C ATOM 31 CB SER 14 13.699 -18.306 33.448 1.00 59.16 C ATOM 32 OG SER 14 13.316 -17.161 34.193 1.00 59.16 O ATOM 33 C SER 14 14.723 -16.982 31.621 1.00 59.16 C ATOM 34 O SER 14 13.849 -17.186 30.780 1.00 59.16 O ATOM 35 N GLN 15 15.454 -15.848 31.630 1.00116.03 N ATOM 36 CA GLN 15 15.304 -14.757 30.689 1.00116.03 C ATOM 37 CB GLN 15 15.802 -15.084 29.259 1.00116.03 C ATOM 38 CG GLN 15 14.994 -16.156 28.517 1.00116.03 C ATOM 39 CD GLN 15 15.632 -16.382 27.151 1.00116.03 C ATOM 40 OE1 GLN 15 16.805 -16.075 26.942 1.00116.03 O ATOM 41 NE2 GLN 15 14.846 -16.939 26.191 1.00116.03 N ATOM 42 C GLN 15 13.889 -14.245 30.609 1.00116.03 C ATOM 43 O GLN 15 13.301 -14.217 29.528 1.00116.03 O ATOM 44 N PRO 16 13.314 -13.861 31.726 1.00 87.10 N ATOM 45 CA PRO 16 11.974 -13.337 31.819 1.00 87.10 C ATOM 46 CD PRO 16 14.041 -13.710 32.979 1.00 87.10 C ATOM 47 CB PRO 16 11.692 -13.232 33.319 1.00 87.10 C ATOM 48 CG PRO 16 13.082 -12.952 33.915 1.00 87.10 C ATOM 49 C PRO 16 11.762 -11.990 31.176 1.00 87.10 C ATOM 50 O PRO 16 10.620 -11.695 30.831 1.00 87.10 O ATOM 51 N CYS 17 12.804 -11.145 31.023 1.00 54.13 N ATOM 52 CA CYS 17 12.569 -9.800 30.557 1.00 54.13 C ATOM 53 CB CYS 17 13.571 -8.791 31.153 1.00 54.13 C ATOM 54 SG CYS 17 13.609 -8.854 32.971 1.00 54.13 S ATOM 55 C CYS 17 12.698 -9.765 29.065 1.00 54.13 C ATOM 56 O CYS 17 13.748 -10.087 28.514 1.00 54.13 O ATOM 57 N GLN 18 11.628 -9.337 28.366 1.00 73.76 N ATOM 58 CA GLN 18 11.639 -9.389 26.930 1.00 73.76 C ATOM 59 CB GLN 18 10.338 -9.964 26.342 1.00 73.76 C ATOM 60 CG GLN 18 10.130 -11.440 26.689 1.00 73.76 C ATOM 61 CD GLN 18 8.823 -11.911 26.064 1.00 73.76 C ATOM 62 OE1 GLN 18 8.521 -13.101 26.061 1.00 73.76 O ATOM 63 NE2 GLN 18 8.024 -10.955 25.520 1.00 73.76 N ATOM 64 C GLN 18 11.867 -8.036 26.334 1.00 73.76 C ATOM 65 O GLN 18 11.929 -7.023 27.023 1.00 73.76 O ATOM 66 N ASN 19 12.016 -8.024 24.989 1.00 75.03 N ATOM 67 CA ASN 19 12.180 -6.844 24.185 1.00 75.03 C ATOM 68 CB ASN 19 10.966 -5.900 24.233 1.00 75.03 C ATOM 69 CG ASN 19 9.799 -6.628 23.583 1.00 75.03 C ATOM 70 OD1 ASN 19 8.827 -6.987 24.244 1.00 75.03 O ATOM 71 ND2 ASN 19 9.898 -6.857 22.247 1.00 75.03 N ATOM 72 C ASN 19 13.394 -6.060 24.576 1.00 75.03 C ATOM 73 O ASN 19 13.354 -4.833 24.612 1.00 75.03 O ATOM 74 N GLY 20 14.510 -6.748 24.879 1.00 21.73 N ATOM 75 CA GLY 20 15.747 -6.055 25.112 1.00 21.73 C ATOM 76 C GLY 20 15.736 -5.377 26.443 1.00 21.73 C ATOM 77 O GLY 20 16.525 -4.465 26.683 1.00 21.73 O ATOM 78 N GLY 21 14.846 -5.801 27.353 1.00 22.98 N ATOM 79 CA GLY 21 14.817 -5.172 28.642 1.00 22.98 C ATOM 80 C GLY 21 15.980 -5.694 29.426 1.00 22.98 C ATOM 81 O GLY 21 16.584 -6.702 29.065 1.00 22.98 O ATOM 82 N THR 22 16.327 -5.014 30.536 1.00106.66 N ATOM 83 CA THR 22 17.421 -5.511 31.317 1.00106.66 C ATOM 84 CB THR 22 18.403 -4.463 31.754 1.00106.66 C ATOM 85 OG1 THR 22 19.624 -5.078 32.136 1.00106.66 O ATOM 86 CG2 THR 22 17.813 -3.696 32.949 1.00106.66 C ATOM 87 C THR 22 16.822 -6.141 32.533 1.00106.66 C ATOM 88 O THR 22 15.868 -5.621 33.116 1.00106.66 O ATOM 89 N CYS 23 17.359 -7.310 32.933 1.00 44.71 N ATOM 90 CA CYS 23 16.821 -8.052 34.037 1.00 44.71 C ATOM 91 CB CYS 23 16.764 -9.571 33.758 1.00 44.71 C ATOM 92 SG CYS 23 16.078 -10.537 35.137 1.00 44.71 S ATOM 93 C CYS 23 17.675 -7.842 35.245 1.00 44.71 C ATOM 94 O CYS 23 18.902 -7.899 35.175 1.00 44.71 O ATOM 95 N THR 24 17.034 -7.583 36.404 1.00105.44 N ATOM 96 CA THR 24 17.779 -7.408 37.616 1.00105.44 C ATOM 97 CB THR 24 17.432 -6.162 38.379 1.00105.44 C ATOM 98 OG1 THR 24 16.081 -6.210 38.812 1.00105.44 O ATOM 99 CG2 THR 24 17.659 -4.944 37.466 1.00105.44 C ATOM 100 C THR 24 17.464 -8.575 38.495 1.00105.44 C ATOM 101 O THR 24 16.303 -8.876 38.769 1.00105.44 O ATOM 102 N HIS 25 18.519 -9.264 38.964 1.00 90.05 N ATOM 103 CA HIS 25 18.363 -10.434 39.775 1.00 90.05 C ATOM 104 ND1 HIS 25 21.661 -10.289 40.369 1.00 90.05 N ATOM 105 CG HIS 25 20.819 -10.689 39.359 1.00 90.05 C ATOM 106 CB HIS 25 19.522 -11.417 39.565 1.00 90.05 C ATOM 107 NE2 HIS 25 22.592 -9.616 38.466 1.00 90.05 N ATOM 108 CD2 HIS 25 21.402 -10.270 38.201 1.00 90.05 C ATOM 109 CE1 HIS 25 22.705 -9.650 39.780 1.00 90.05 C ATOM 110 C HIS 25 18.339 -10.028 41.213 1.00 90.05 C ATOM 111 O HIS 25 19.372 -9.709 41.801 1.00 90.05 O ATOM 112 N GLY 26 17.136 -10.041 41.821 1.00 25.15 N ATOM 113 CA GLY 26 16.999 -9.660 43.195 1.00 25.15 C ATOM 114 C GLY 26 16.949 -10.897 44.028 1.00 25.15 C ATOM 115 O GLY 26 17.310 -11.986 43.585 1.00 25.15 O ATOM 116 N ILE 27 16.461 -10.749 45.273 1.00 93.20 N ATOM 117 CA ILE 27 16.397 -11.875 46.148 1.00 93.20 C ATOM 118 CB ILE 27 16.651 -11.529 47.584 1.00 93.20 C ATOM 119 CG1 ILE 27 18.091 -11.023 47.770 1.00 93.20 C ATOM 120 CG2 ILE 27 16.313 -12.770 48.421 1.00 93.20 C ATOM 121 CD1 ILE 27 19.147 -12.047 47.348 1.00 93.20 C ATOM 122 C ILE 27 15.017 -12.428 46.054 1.00 93.20 C ATOM 123 O ILE 27 14.044 -11.801 46.471 1.00 93.20 O ATOM 124 N ASN 28 14.923 -13.644 45.488 1.00 85.52 N ATOM 125 CA ASN 28 13.697 -14.364 45.330 1.00 85.52 C ATOM 126 CB ASN 28 12.972 -14.585 46.674 1.00 85.52 C ATOM 127 CG ASN 28 12.022 -15.772 46.549 1.00 85.52 C ATOM 128 OD1 ASN 28 11.596 -16.140 45.456 1.00 85.52 O ATOM 129 ND2 ASN 28 11.684 -16.394 47.711 1.00 85.52 N ATOM 130 C ASN 28 12.791 -13.626 44.387 1.00 85.52 C ATOM 131 O ASN 28 11.579 -13.820 44.412 1.00 85.52 O ATOM 132 N SER 29 13.351 -12.766 43.507 1.00 43.33 N ATOM 133 CA SER 29 12.491 -12.122 42.551 1.00 43.33 C ATOM 134 CB SER 29 11.551 -11.068 43.167 1.00 43.33 C ATOM 135 OG SER 29 12.295 -9.976 43.683 1.00 43.33 O ATOM 136 C SER 29 13.344 -11.448 41.517 1.00 43.33 C ATOM 137 O SER 29 14.550 -11.298 41.693 1.00 43.33 O ATOM 138 N PHE 30 12.728 -11.049 40.383 1.00 59.20 N ATOM 139 CA PHE 30 13.463 -10.345 39.373 1.00 59.20 C ATOM 140 CB PHE 30 13.625 -11.110 38.046 1.00 59.20 C ATOM 141 CG PHE 30 12.308 -11.153 37.343 1.00 59.20 C ATOM 142 CD1 PHE 30 11.357 -12.092 37.667 1.00 59.20 C ATOM 143 CD2 PHE 30 12.028 -10.252 36.341 1.00 59.20 C ATOM 144 CE1 PHE 30 10.149 -12.123 37.009 1.00 59.20 C ATOM 145 CE2 PHE 30 10.822 -10.276 35.679 1.00 59.20 C ATOM 146 CZ PHE 30 9.878 -11.215 36.013 1.00 59.20 C ATOM 147 C PHE 30 12.686 -9.109 39.057 1.00 59.20 C ATOM 148 O PHE 30 11.501 -9.004 39.373 1.00 59.20 O ATOM 149 N ARG 31 13.367 -8.115 38.454 1.00 75.46 N ATOM 150 CA ARG 31 12.709 -6.904 38.059 1.00 75.46 C ATOM 151 CB ARG 31 13.007 -5.742 39.022 1.00 75.46 C ATOM 152 CG ARG 31 12.480 -6.069 40.423 1.00 75.46 C ATOM 153 CD ARG 31 12.700 -5.005 41.502 1.00 75.46 C ATOM 154 NE ARG 31 12.111 -5.569 42.753 1.00 75.46 N ATOM 155 CZ ARG 31 12.343 -4.999 43.972 1.00 75.46 C ATOM 156 NH1 ARG 31 13.077 -3.852 44.072 1.00 75.46 N ATOM 157 NH2 ARG 31 11.828 -5.581 45.094 1.00 75.46 N ATOM 158 C ARG 31 13.211 -6.580 36.687 1.00 75.46 C ATOM 159 O ARG 31 14.375 -6.818 36.374 1.00 75.46 O ATOM 160 N CYS 32 12.335 -6.047 35.814 1.00 43.38 N ATOM 161 CA CYS 32 12.756 -5.780 34.469 1.00 43.38 C ATOM 162 CB CYS 32 11.842 -6.417 33.405 1.00 43.38 C ATOM 163 SG CYS 32 11.760 -8.229 33.533 1.00 43.38 S ATOM 164 C CYS 32 12.734 -4.305 34.241 1.00 43.38 C ATOM 165 O CYS 32 11.871 -3.599 34.760 1.00 43.38 O ATOM 166 N GLN 33 13.725 -3.810 33.471 1.00117.05 N ATOM 167 CA GLN 33 13.770 -2.430 33.086 1.00117.05 C ATOM 168 CB GLN 33 15.167 -1.796 33.272 1.00117.05 C ATOM 169 CG GLN 33 15.219 -0.267 33.157 1.00117.05 C ATOM 170 CD GLN 33 15.346 0.138 31.694 1.00117.05 C ATOM 171 OE1 GLN 33 15.372 -0.703 30.798 1.00117.05 O ATOM 172 NE2 GLN 33 15.441 1.471 31.443 1.00117.05 N ATOM 173 C GLN 33 13.446 -2.469 31.627 1.00117.05 C ATOM 174 O GLN 33 14.167 -3.088 30.845 1.00117.05 O ATOM 175 N CYS 34 12.343 -1.815 31.219 1.00 51.70 N ATOM 176 CA CYS 34 11.903 -1.956 29.860 1.00 51.70 C ATOM 177 CB CYS 34 10.371 -1.888 29.709 1.00 51.70 C ATOM 178 SG CYS 34 9.475 -2.949 30.890 1.00 51.70 S ATOM 179 C CYS 34 12.482 -0.864 29.019 1.00 51.70 C ATOM 180 O CYS 34 12.874 0.194 29.510 1.00 51.70 O ATOM 181 N PRO 35 12.564 -1.126 27.743 1.00 86.65 N ATOM 182 CA PRO 35 12.994 -0.131 26.807 1.00 86.65 C ATOM 183 CD PRO 35 12.786 -2.471 27.245 1.00 86.65 C ATOM 184 CB PRO 35 13.423 -0.874 25.542 1.00 86.65 C ATOM 185 CG PRO 35 12.856 -2.290 25.722 1.00 86.65 C ATOM 186 C PRO 35 11.818 0.762 26.610 1.00 86.65 C ATOM 187 O PRO 35 10.712 0.365 26.975 1.00 86.65 O ATOM 188 N ALA 36 12.020 1.962 26.045 1.00 24.85 N ATOM 189 CA ALA 36 10.903 2.844 25.907 1.00 24.85 C ATOM 190 CB ALA 36 11.270 4.214 25.303 1.00 24.85 C ATOM 191 C ALA 36 9.905 2.197 25.005 1.00 24.85 C ATOM 192 O ALA 36 10.265 1.525 24.039 1.00 24.85 O ATOM 193 N GLY 37 8.608 2.382 25.330 1.00 24.81 N ATOM 194 CA GLY 37 7.533 1.877 24.524 1.00 24.81 C ATOM 195 C GLY 37 7.050 0.560 25.048 1.00 24.81 C ATOM 196 O GLY 37 6.045 0.036 24.566 1.00 24.81 O ATOM 197 N PHE 38 7.734 -0.016 26.057 1.00 41.92 N ATOM 198 CA PHE 38 7.302 -1.298 26.542 1.00 41.92 C ATOM 199 CB PHE 38 8.358 -2.406 26.374 1.00 41.92 C ATOM 200 CG PHE 38 8.542 -2.629 24.913 1.00 41.92 C ATOM 201 CD1 PHE 38 7.707 -3.479 24.225 1.00 41.92 C ATOM 202 CD2 PHE 38 9.549 -1.987 24.230 1.00 41.92 C ATOM 203 CE1 PHE 38 7.876 -3.686 22.877 1.00 41.92 C ATOM 204 CE2 PHE 38 9.723 -2.189 22.882 1.00 41.92 C ATOM 205 CZ PHE 38 8.884 -3.040 22.201 1.00 41.92 C ATOM 206 C PHE 38 6.989 -1.195 28.004 1.00 41.92 C ATOM 207 O PHE 38 7.493 -0.317 28.702 1.00 41.92 O ATOM 208 N GLY 39 6.122 -2.108 28.498 1.00 19.24 N ATOM 209 CA GLY 39 5.738 -2.104 29.883 1.00 19.24 C ATOM 210 C GLY 39 5.321 -3.495 30.264 1.00 19.24 C ATOM 211 O GLY 39 5.313 -4.407 29.439 1.00 19.24 O ATOM 212 N GLY 40 4.945 -3.682 31.547 1.00 23.04 N ATOM 213 CA GLY 40 4.549 -4.978 32.020 1.00 23.04 C ATOM 214 C GLY 40 5.694 -5.534 32.798 1.00 23.04 C ATOM 215 O GLY 40 6.831 -5.080 32.676 1.00 23.04 O ATOM 216 N PRO 41 5.416 -6.505 33.623 1.00139.72 N ATOM 217 CA PRO 41 6.470 -7.073 34.405 1.00139.72 C ATOM 218 CD PRO 41 4.138 -6.575 34.311 1.00139.72 C ATOM 219 CB PRO 41 5.791 -7.985 35.421 1.00139.72 C ATOM 220 CG PRO 41 4.431 -7.294 35.643 1.00139.72 C ATOM 221 C PRO 41 7.529 -7.708 33.560 1.00139.72 C ATOM 222 O PRO 41 8.698 -7.626 33.932 1.00139.72 O ATOM 223 N THR 42 7.141 -8.396 32.467 1.00166.97 N ATOM 224 CA THR 42 8.048 -8.994 31.523 1.00166.97 C ATOM 225 CB THR 42 7.546 -10.221 30.816 1.00166.97 C ATOM 226 OG1 THR 42 6.465 -9.906 29.962 1.00166.97 O ATOM 227 CG2 THR 42 7.111 -11.251 31.873 1.00166.97 C ATOM 228 C THR 42 8.479 -7.993 30.494 1.00166.97 C ATOM 229 O THR 42 9.355 -8.283 29.681 1.00166.97 O ATOM 230 N CYS 43 7.833 -6.811 30.451 1.00109.03 N ATOM 231 CA CYS 43 8.091 -5.839 29.420 1.00109.03 C ATOM 232 CB CYS 43 9.588 -5.510 29.243 1.00109.03 C ATOM 233 SG CYS 43 10.341 -4.780 30.730 1.00109.03 S ATOM 234 C CYS 43 7.589 -6.422 28.134 1.00109.03 C ATOM 235 O CYS 43 8.045 -6.063 27.048 1.00109.03 O ATOM 236 N GLU 44 6.622 -7.354 28.246 1.00159.99 N ATOM 237 CA GLU 44 6.033 -8.063 27.141 1.00159.99 C ATOM 238 CB GLU 44 5.219 -9.305 27.545 1.00159.99 C ATOM 239 CG GLU 44 3.847 -8.985 28.147 1.00159.99 C ATOM 240 CD GLU 44 3.967 -8.762 29.649 1.00159.99 C ATOM 241 OE1 GLU 44 4.756 -7.874 30.066 1.00159.99 O ATOM 242 OE2 GLU 44 3.279 -9.503 30.403 1.00159.99 O ATOM 243 C GLU 44 5.102 -7.200 26.345 1.00159.99 C ATOM 244 O GLU 44 4.881 -7.455 25.160 1.00159.99 O ATOM 245 N THR 45 4.481 -6.179 26.966 1.00111.99 N ATOM 246 CA THR 45 3.472 -5.497 26.209 1.00111.99 C ATOM 247 CB THR 45 2.178 -5.350 26.951 1.00111.99 C ATOM 248 OG1 THR 45 1.162 -4.877 26.079 1.00111.99 O ATOM 249 CG2 THR 45 2.390 -4.366 28.112 1.00111.99 C ATOM 250 C THR 45 3.905 -4.133 25.792 1.00111.99 C ATOM 251 O THR 45 4.650 -3.438 26.480 1.00111.99 O ATOM 252 N ALA 46 3.427 -3.721 24.601 1.00 32.78 N ATOM 253 CA ALA 46 3.714 -2.404 24.128 1.00 32.78 C ATOM 254 CB ALA 46 3.660 -2.266 22.597 1.00 32.78 C ATOM 255 C ALA 46 2.638 -1.542 24.689 1.00 32.78 C ATOM 256 O ALA 46 1.453 -1.856 24.582 1.00 32.78 O ATOM 257 N GLN 47 3.026 -0.423 25.324 1.00 29.62 N ATOM 258 CA GLN 47 2.012 0.399 25.904 1.00 29.62 C ATOM 259 CB GLN 47 2.569 1.598 26.696 1.00 29.62 C ATOM 260 CG GLN 47 3.344 1.170 27.947 1.00 29.62 C ATOM 261 CD GLN 47 3.864 2.415 28.657 1.00 29.62 C ATOM 262 OE1 GLN 47 4.362 2.343 29.780 1.00 29.62 O ATOM 263 NE2 GLN 47 3.747 3.592 27.987 1.00 29.62 N ATOM 264 C GLN 47 1.135 0.905 24.769 1.00 29.62 C ATOM 265 O GLN 47 1.644 1.666 23.908 1.00 29.62 O ATOM 266 OXT GLN 47 -0.068 0.519 24.750 1.00 29.62 O