EXPDTA THEORETICAL MODEL, MODELLER 9.15 2017/02/08 15:00:44 REMARK 6 MODELLER OBJECTIVE FUNCTION: -2387.6926 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 100.000 REMARK 6 SEQUENCE: model REMARK 6 DOPE score: -2387.69263 REMARK 6 GA341 score: 1.00000 REMARK 6 Normalized DOPE score: -0.78388 REMARK 6 TEMPLATE: 4qbd_A ATOM 1 N TRP 39 86.150 50.025 73.005 1.00 59.64 N ATOM 2 CA TRP 39 87.362 50.625 72.414 1.00 59.64 C ATOM 3 CB TRP 39 87.187 52.145 72.336 1.00 59.64 C ATOM 4 CG TRP 39 86.055 52.504 71.406 1.00 59.64 C ATOM 5 CD2 TRP 39 86.219 52.985 70.061 1.00 59.64 C ATOM 6 CD1 TRP 39 84.712 52.433 71.631 1.00 59.64 C ATOM 7 NE1 TRP 39 84.027 52.832 70.509 1.00 59.64 N ATOM 8 CE2 TRP 39 84.942 53.176 69.536 1.00 59.64 C ATOM 9 CE3 TRP 39 87.341 53.235 69.324 1.00 59.64 C ATOM 10 CZ2 TRP 39 84.765 53.624 68.259 1.00 59.64 C ATOM 11 CZ3 TRP 39 87.157 53.699 68.039 1.00 59.64 C ATOM 12 CH2 TRP 39 85.894 53.890 67.516 1.00 59.64 C ATOM 13 C TRP 39 88.540 50.285 73.261 1.00 59.64 C ATOM 14 O TRP 39 88.459 50.274 74.487 1.00 59.64 O ATOM 15 N ILE 40 89.672 49.983 72.601 1.00137.67 N ATOM 16 CA ILE 40 90.860 49.579 73.288 1.00137.67 C ATOM 17 CB ILE 40 91.427 48.296 72.757 1.00137.67 C ATOM 18 CG1 ILE 40 90.448 47.131 72.942 1.00137.67 C ATOM 19 CG2 ILE 40 92.797 48.063 73.408 1.00137.67 C ATOM 20 CD1 ILE 40 90.876 45.892 72.162 1.00137.67 C ATOM 21 C ILE 40 91.886 50.598 72.973 1.00137.67 C ATOM 22 O ILE 40 91.954 51.098 71.851 1.00137.67 O ATOM 23 N PRO 41 92.675 50.932 73.946 1.00160.44 N ATOM 24 CA PRO 41 93.712 51.873 73.682 1.00160.44 C ATOM 25 CD PRO 41 92.216 50.988 75.324 1.00160.44 C ATOM 26 CB PRO 41 94.207 52.347 75.048 1.00160.44 C ATOM 27 CG PRO 41 92.987 52.154 75.965 1.00160.44 C ATOM 28 C PRO 41 94.751 51.174 72.877 1.00160.44 C ATOM 29 O PRO 41 94.892 49.959 73.006 1.00160.44 O ATOM 30 N ASP 42 95.439 51.915 71.992 1.00 73.35 N ATOM 31 CA ASP 42 96.547 51.362 71.275 1.00 73.35 C ATOM 32 CB ASP 42 96.258 50.956 69.826 1.00 73.35 C ATOM 33 CG ASP 42 97.408 50.088 69.325 1.00 73.35 C ATOM 34 OD1 ASP 42 98.267 49.693 70.159 1.00 73.35 O ATOM 35 OD2 ASP 42 97.442 49.810 68.097 1.00 73.35 O ATOM 36 C ASP 42 97.517 52.489 71.194 1.00 73.35 C ATOM 37 O ASP 42 97.158 53.593 70.788 1.00 73.35 O ATOM 38 N GLU 43 98.770 52.274 71.612 1.00108.83 N ATOM 39 CA GLU 43 99.676 53.375 71.556 1.00108.83 C ATOM 40 CB GLU 43 100.931 53.141 72.417 1.00108.83 C ATOM 41 CG GLU 43 101.524 51.742 72.315 1.00108.83 C ATOM 42 CD GLU 43 102.127 51.461 73.684 1.00108.83 C ATOM 43 OE1 GLU 43 103.035 52.220 74.117 1.00108.83 O ATOM 44 OE2 GLU 43 101.656 50.487 74.329 1.00108.83 O ATOM 45 C GLU 43 99.961 53.750 70.130 1.00108.83 C ATOM 46 O GLU 43 100.106 54.934 69.821 1.00108.83 O ATOM 47 N LYS 44 100.079 52.761 69.220 1.00153.74 N ATOM 48 CA LYS 44 100.325 53.101 67.842 1.00153.74 C ATOM 49 CB LYS 44 100.688 51.872 66.988 1.00153.74 C ATOM 50 CG LYS 44 101.891 51.083 67.509 1.00153.74 C ATOM 51 CD LYS 44 103.204 51.864 67.543 1.00153.74 C ATOM 52 CE LYS 44 103.669 52.313 66.160 1.00153.74 C ATOM 53 NZ LYS 44 105.097 51.978 65.981 1.00153.74 N ATOM 54 C LYS 44 99.115 53.711 67.188 1.00153.74 C ATOM 55 O LYS 44 99.152 54.852 66.720 1.00153.74 O ATOM 56 N GLU 45 98.005 52.945 67.159 1.00101.15 N ATOM 57 CA GLU 45 96.787 53.271 66.461 1.00101.15 C ATOM 58 CB GLU 45 95.870 52.049 66.329 1.00101.15 C ATOM 59 CG GLU 45 96.557 50.855 65.653 1.00101.15 C ATOM 60 CD GLU 45 96.666 51.098 64.154 1.00101.15 C ATOM 61 OE1 GLU 45 97.308 52.100 63.743 1.00101.15 O ATOM 62 OE2 GLU 45 96.101 50.268 63.394 1.00101.15 O ATOM 63 C GLU 45 96.034 54.339 67.181 1.00101.15 C ATOM 64 O GLU 45 95.379 55.185 66.573 1.00101.15 O ATOM 65 N GLY 46 96.066 54.287 68.517 1.00 34.79 N ATOM 66 CA GLY 46 95.389 55.238 69.345 1.00 34.79 C ATOM 67 C GLY 46 94.170 54.557 69.886 1.00 34.79 C ATOM 68 O GLY 46 93.998 54.458 71.100 1.00 34.79 O ATOM 69 N TYR 47 93.298 54.051 68.989 1.00 73.16 N ATOM 70 CA TYR 47 92.127 53.345 69.426 1.00 73.16 C ATOM 71 CB TYR 47 90.857 54.218 69.428 1.00 73.16 C ATOM 72 CG TYR 47 90.954 55.320 70.432 1.00 73.16 C ATOM 73 CD1 TYR 47 90.620 55.112 71.752 1.00 73.16 C ATOM 74 CD2 TYR 47 91.365 56.575 70.048 1.00 73.16 C ATOM 75 CE1 TYR 47 90.692 56.132 72.674 1.00 73.16 C ATOM 76 CE2 TYR 47 91.438 57.598 70.966 1.00 73.16 C ATOM 77 CZ TYR 47 91.110 57.381 72.284 1.00 73.16 C ATOM 78 OH TYR 47 91.186 58.431 73.226 1.00 73.16 O ATOM 79 C TYR 47 91.858 52.254 68.431 1.00 73.16 C ATOM 80 O TYR 47 92.163 52.410 67.250 1.00 73.16 O ATOM 81 N LEU 48 91.307 51.102 68.879 1.00119.84 N ATOM 82 CA LEU 48 90.884 50.111 67.925 1.00119.84 C ATOM 83 CB LEU 48 91.724 48.822 67.841 1.00119.84 C ATOM 84 CG LEU 48 93.196 49.029 67.479 1.00119.84 C ATOM 85 CD1 LEU 48 93.949 49.561 68.696 1.00119.84 C ATOM 86 CD2 LEU 48 93.826 47.772 66.870 1.00119.84 C ATOM 87 C LEU 48 89.528 49.639 68.349 1.00119.84 C ATOM 88 O LEU 48 89.258 49.529 69.544 1.00119.84 O ATOM 89 N LEU 49 88.621 49.371 67.384 1.00131.34 N ATOM 90 CA LEU 49 87.351 48.824 67.774 1.00131.34 C ATOM 91 CB LEU 49 86.216 48.926 66.739 1.00131.34 C ATOM 92 CG LEU 49 85.817 50.358 66.381 1.00131.34 C ATOM 93 CD1 LEU 49 86.952 51.059 65.629 1.00131.34 C ATOM 94 CD2 LEU 49 84.493 50.397 65.602 1.00131.34 C ATOM 95 C LEU 49 87.562 47.363 67.959 1.00131.34 C ATOM 96 O LEU 49 88.295 46.733 67.199 1.00131.34 O ATOM 97 N GLY 50 86.898 46.777 68.968 1.00 34.06 N ATOM 98 CA GLY 50 87.072 45.375 69.178 1.00 34.06 C ATOM 99 C GLY 50 85.774 44.803 69.643 1.00 34.06 C ATOM 100 O GLY 50 84.792 45.522 69.827 1.00 34.06 O ATOM 101 N GLU 51 85.755 43.464 69.822 1.00 76.67 N ATOM 102 CA GLU 51 84.590 42.759 70.283 1.00 76.67 C ATOM 103 CB GLU 51 84.106 41.677 69.307 1.00 76.67 C ATOM 104 CG GLU 51 83.615 42.208 67.960 1.00 76.67 C ATOM 105 CD GLU 51 82.119 42.461 68.057 1.00 76.67 C ATOM 106 OE1 GLU 51 81.588 42.461 69.199 1.00 76.67 O ATOM 107 OE2 GLU 51 81.486 42.659 66.985 1.00 76.67 O ATOM 108 C GLU 51 84.982 42.019 71.527 1.00 76.67 C ATOM 109 O GLU 51 86.008 41.342 71.551 1.00 76.67 O ATOM 110 N ILE 52 84.150 42.095 72.588 1.00108.78 N ATOM 111 CA ILE 52 84.483 41.447 73.827 1.00108.78 C ATOM 112 CB ILE 52 83.656 41.941 74.984 1.00108.78 C ATOM 113 CG1 ILE 52 83.886 43.435 75.264 1.00108.78 C ATOM 114 CG2 ILE 52 83.961 41.045 76.197 1.00108.78 C ATOM 115 CD1 ILE 52 85.270 43.766 75.813 1.00108.78 C ATOM 116 C ILE 52 84.138 39.999 73.693 1.00108.78 C ATOM 117 O ILE 52 82.967 39.637 73.591 1.00108.78 O ATOM 118 N LYS 53 85.170 39.130 73.651 1.00134.11 N ATOM 119 CA LYS 53 84.950 37.712 73.594 1.00134.11 C ATOM 120 CB LYS 53 86.222 36.929 73.235 1.00134.11 C ATOM 121 CG LYS 53 86.713 37.206 71.812 1.00134.11 C ATOM 122 CD LYS 53 85.691 36.842 70.732 1.00134.11 C ATOM 123 CE LYS 53 84.604 37.898 70.530 1.00134.11 C ATOM 124 NZ LYS 53 83.761 37.527 69.374 1.00134.11 N ATOM 125 C LYS 53 84.482 37.221 74.930 1.00134.11 C ATOM 126 O LYS 53 83.476 36.516 75.030 1.00134.11 O ATOM 127 N ALA 54 85.195 37.605 76.007 1.00 37.93 N ATOM 128 CA ALA 54 84.845 37.124 77.315 1.00 37.93 C ATOM 129 CB ALA 54 85.358 35.701 77.608 1.00 37.93 C ATOM 130 C ALA 54 85.462 38.035 78.326 1.00 37.93 C ATOM 131 O ALA 54 86.346 38.829 78.003 1.00 37.93 O ATOM 132 N THR 55 84.978 37.964 79.587 1.00 43.28 N ATOM 133 CA THR 55 85.546 38.819 80.587 1.00 43.28 C ATOM 134 CB THR 55 84.655 39.961 80.959 1.00 43.28 C ATOM 135 OG1 THR 55 84.313 40.699 79.795 1.00 43.28 O ATOM 136 CG2 THR 55 85.425 40.863 81.940 1.00 43.28 C ATOM 137 C THR 55 85.816 38.020 81.825 1.00 43.28 C ATOM 138 O THR 55 84.990 37.214 82.255 1.00 43.28 O ATOM 139 N LYS 56 87.005 38.230 82.426 1.00110.81 N ATOM 140 CA LYS 56 87.403 37.535 83.617 1.00110.81 C ATOM 141 CB LYS 56 88.708 36.752 83.416 1.00110.81 C ATOM 142 CG LYS 56 88.630 35.732 82.285 1.00110.81 C ATOM 143 CD LYS 56 90.001 35.322 81.750 1.00110.81 C ATOM 144 CE LYS 56 90.743 36.486 81.088 1.00110.81 C ATOM 145 NZ LYS 56 89.870 37.117 80.075 1.00110.81 N ATOM 146 C LYS 56 87.729 38.580 84.636 1.00110.81 C ATOM 147 O LYS 56 88.809 39.166 84.606 1.00110.81 O ATOM 148 N GLY 57 86.818 38.833 85.591 1.00 19.11 N ATOM 149 CA GLY 57 87.123 39.839 86.564 1.00 19.11 C ATOM 150 C GLY 57 87.270 41.128 85.826 1.00 19.11 C ATOM 151 O GLY 57 86.458 41.454 84.960 1.00 19.11 O ATOM 152 N ASP 58 88.298 41.920 86.179 1.00 67.72 N ATOM 153 CA ASP 58 88.530 43.173 85.522 1.00 67.72 C ATOM 154 CB ASP 58 89.491 44.111 86.267 1.00 67.72 C ATOM 155 CG ASP 58 89.270 45.509 85.704 1.00 67.72 C ATOM 156 OD1 ASP 58 88.228 45.707 85.023 1.00 67.72 O ATOM 157 OD2 ASP 58 90.131 46.397 85.944 1.00 67.72 O ATOM 158 C ASP 58 89.076 42.955 84.135 1.00 67.72 C ATOM 159 O ASP 58 88.914 43.811 83.272 1.00 67.72 O ATOM 160 N ILE 59 89.763 41.811 83.901 1.00121.03 N ATOM 161 CA ILE 59 90.417 41.537 82.641 1.00121.03 C ATOM 162 CB ILE 59 91.313 40.328 82.691 1.00121.03 C ATOM 163 CG1 ILE 59 92.350 40.462 83.816 1.00121.03 C ATOM 164 CG2 ILE 59 91.947 40.154 81.300 1.00121.03 C ATOM 165 CD1 ILE 59 93.260 41.680 83.666 1.00121.03 C ATOM 166 C ILE 59 89.402 41.237 81.578 1.00121.03 C ATOM 167 O ILE 59 88.478 40.454 81.787 1.00121.03 O ATOM 168 N VAL 60 89.541 41.863 80.391 1.00120.39 N ATOM 169 CA VAL 60 88.622 41.588 79.318 1.00120.39 C ATOM 170 CB VAL 60 87.839 42.777 78.843 1.00120.39 C ATOM 171 CG1 VAL 60 86.780 43.142 79.886 1.00120.39 C ATOM 172 CG2 VAL 60 88.830 43.915 78.552 1.00120.39 C ATOM 173 C VAL 60 89.372 41.078 78.130 1.00120.39 C ATOM 174 O VAL 60 90.443 41.574 77.790 1.00120.39 O ATOM 175 N SER 61 88.808 40.057 77.453 1.00 47.82 N ATOM 176 CA SER 61 89.448 39.541 76.282 1.00 47.82 C ATOM 177 CB SER 61 89.334 38.012 76.149 1.00 47.82 C ATOM 178 OG SER 61 89.977 37.374 77.243 1.00 47.82 O ATOM 179 C SER 61 88.719 40.148 75.128 1.00 47.82 C ATOM 180 O SER 61 87.528 39.912 74.941 1.00 47.82 O ATOM 181 N VAL 62 89.429 40.955 74.316 1.00123.79 N ATOM 182 CA VAL 62 88.796 41.614 73.210 1.00123.79 C ATOM 183 CB VAL 62 88.899 43.107 73.272 1.00123.79 C ATOM 184 CG1 VAL 62 87.863 43.641 74.273 1.00123.79 C ATOM 185 CG2 VAL 62 90.339 43.435 73.696 1.00123.79 C ATOM 186 C VAL 62 89.395 41.158 71.923 1.00123.79 C ATOM 187 O VAL 62 90.611 41.070 71.772 1.00123.79 O ATOM 188 N GLY 63 88.513 40.858 70.948 1.00 33.71 N ATOM 189 CA GLY 63 88.959 40.433 69.658 1.00 33.71 C ATOM 190 C GLY 63 89.084 41.655 68.813 1.00 33.71 C ATOM 191 O GLY 63 88.257 42.567 68.880 1.00 33.71 O ATOM 192 N LEU 64 90.134 41.672 67.971 1.00 95.49 N ATOM 193 CA LEU 64 90.441 42.787 67.121 1.00 95.49 C ATOM 194 CB LEU 64 91.924 43.174 67.165 1.00 95.49 C ATOM 195 CG LEU 64 92.386 43.423 68.610 1.00 95.49 C ATOM 196 CD1 LEU 64 93.783 44.059 68.659 1.00 95.49 C ATOM 197 CD2 LEU 64 91.319 44.192 69.409 1.00 95.49 C ATOM 198 C LEU 64 90.129 42.406 65.707 1.00 95.49 C ATOM 199 O LEU 64 89.789 41.261 65.412 1.00 95.49 O ATOM 200 N GLN 65 90.246 43.385 64.792 1.00126.42 N ATOM 201 CA GLN 65 89.909 43.173 63.416 1.00126.42 C ATOM 202 CB GLN 65 90.101 44.437 62.557 1.00126.42 C ATOM 203 CG GLN 65 89.779 44.237 61.072 1.00126.42 C ATOM 204 CD GLN 65 88.349 43.727 60.967 1.00126.42 C ATOM 205 OE1 GLN 65 88.066 42.576 61.295 1.00126.42 O ATOM 206 NE2 GLN 65 87.421 44.601 60.495 1.00126.42 N ATOM 207 C GLN 65 90.774 42.105 62.827 1.00126.42 C ATOM 208 O GLN 65 90.250 41.177 62.224 1.00126.42 O ATOM 209 N GLY 66 92.099 42.184 63.016 1.00 77.13 N ATOM 210 CA GLY 66 92.986 41.216 62.443 1.00 77.13 C ATOM 211 C GLY 66 92.589 39.867 62.928 1.00 77.13 C ATOM 212 O GLY 66 91.790 39.169 62.292 1.00 77.13 O ATOM 213 N GLY 67 93.170 39.446 64.063 1.00 73.58 N ATOM 214 CA GLY 67 92.811 38.182 64.623 1.00 73.58 C ATOM 215 C GLY 67 93.262 38.140 66.049 1.00 73.58 C ATOM 216 O GLY 67 92.873 37.244 66.791 1.00 73.58 O ATOM 217 N GLU 68 94.073 39.127 66.470 1.00116.90 N ATOM 218 CA GLU 68 94.630 39.160 67.797 1.00116.90 C ATOM 219 CB GLU 68 95.636 40.319 67.951 1.00116.90 C ATOM 220 CG GLU 68 96.094 40.607 69.382 1.00116.90 C ATOM 221 CD GLU 68 97.001 41.836 69.357 1.00116.90 C ATOM 222 OE1 GLU 68 96.648 42.841 68.686 1.00116.90 O ATOM 223 OE2 GLU 68 98.070 41.776 70.020 1.00116.90 O ATOM 224 C GLU 68 93.555 39.364 68.824 1.00116.90 C ATOM 225 O GLU 68 92.656 40.186 68.643 1.00116.90 O ATOM 226 N VAL 69 93.629 38.600 69.938 1.00 55.17 N ATOM 227 CA VAL 69 92.731 38.766 71.049 1.00 55.17 C ATOM 228 CB VAL 69 92.152 37.485 71.591 1.00 55.17 C ATOM 229 CG1 VAL 69 91.349 37.807 72.866 1.00 55.17 C ATOM 230 CG2 VAL 69 91.322 36.808 70.491 1.00 55.17 C ATOM 231 C VAL 69 93.589 39.314 72.134 1.00 55.17 C ATOM 232 O VAL 69 94.563 38.677 72.537 1.00 55.17 O ATOM 233 N ARG 70 93.264 40.509 72.651 1.00159.85 N ATOM 234 CA ARG 70 94.152 41.035 73.639 1.00159.85 C ATOM 235 CB ARG 70 94.798 42.380 73.243 1.00159.85 C ATOM 236 CG ARG 70 93.795 43.482 72.912 1.00159.85 C ATOM 237 CD ARG 70 94.308 44.488 71.876 1.00159.85 C ATOM 238 NE ARG 70 95.192 45.478 72.549 1.00159.85 N ATOM 239 CZ ARG 70 95.978 46.300 71.795 1.00159.85 C ATOM 240 NH1 ARG 70 96.119 46.074 70.456 1.00159.85 N ATOM 241 NH2 ARG 70 96.603 47.364 72.380 1.00159.85 N ATOM 242 C ARG 70 93.433 41.168 74.930 1.00159.85 C ATOM 243 O ARG 70 92.268 41.563 74.986 1.00159.85 O ATOM 244 N ASP 71 94.136 40.795 76.015 1.00 42.31 N ATOM 245 CA ASP 71 93.583 40.902 77.325 1.00 42.31 C ATOM 246 CB ASP 71 94.160 39.884 78.327 1.00 42.31 C ATOM 247 CG ASP 71 93.632 38.501 77.955 1.00 42.31 C ATOM 248 OD1 ASP 71 92.877 38.404 76.952 1.00 42.31 O ATOM 249 OD2 ASP 71 93.972 37.523 78.673 1.00 42.31 O ATOM 250 C ASP 71 93.930 42.277 77.778 1.00 42.31 C ATOM 251 O ASP 71 95.088 42.689 77.744 1.00 42.31 O ATOM 252 N ILE 72 92.902 43.038 78.185 1.00 51.62 N ATOM 253 CA ILE 72 93.118 44.399 78.554 1.00 51.62 C ATOM 254 CB ILE 72 92.679 45.342 77.471 1.00 51.62 C ATOM 255 CG1 ILE 72 93.052 46.795 77.798 1.00 51.62 C ATOM 256 CG2 ILE 72 91.183 45.097 77.210 1.00 51.62 C ATOM 257 CD1 ILE 72 92.875 47.733 76.604 1.00 51.62 C ATOM 258 C ILE 72 92.301 44.691 79.761 1.00 51.62 C ATOM 259 O ILE 72 91.327 44.000 80.054 1.00 51.62 O ATOM 260 N LYS 73 92.711 45.730 80.507 1.00128.94 N ATOM 261 CA LYS 73 91.997 46.155 81.668 1.00128.94 C ATOM 262 CB LYS 73 92.783 47.201 82.475 1.00128.94 C ATOM 263 CG LYS 73 92.184 47.570 83.827 1.00128.94 C ATOM 264 CD LYS 73 93.195 48.279 84.729 1.00128.94 C ATOM 265 CE LYS 73 94.139 49.219 83.970 1.00128.94 C ATOM 266 NZ LYS 73 93.435 50.468 83.603 1.00128.94 N ATOM 267 C LYS 73 90.729 46.770 81.176 1.00128.94 C ATOM 268 O LYS 73 90.706 47.432 80.135 1.00128.94 O ATOM 269 N SER 74 89.627 46.549 81.912 1.00 62.60 N ATOM 270 CA SER 74 88.350 47.033 81.483 1.00 62.60 C ATOM 271 CB SER 74 87.180 46.435 82.286 1.00 62.60 C ATOM 272 OG SER 74 85.940 46.945 81.819 1.00 62.60 O ATOM 273 C SER 74 88.306 48.549 81.616 1.00 62.60 C ATOM 274 O SER 74 89.005 49.240 80.827 1.00 62.60 O ATOM 275 OXT SER 74 87.561 49.039 82.504 1.00 62.60 O