EXPDTA THEORETICAL MODEL, MODELLER 9.15 2017/03/07 00:04:37 REMARK 6 MODELLER OBJECTIVE FUNCTION: -1042.9163 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 19.048 REMARK 6 SEQUENCE: model REMARK 6 DOPE score: -1042.91626 REMARK 6 GA341 score: 0.34874 REMARK 6 Normalized DOPE score: 0.30729 REMARK 6 TEMPLATE: 2w86A01 ATOM 1 N ASN 70 29.004 21.949 46.335 1.00 32.75 N ATOM 2 CA ASN 70 30.049 22.853 45.811 1.00 32.75 C ATOM 3 CB ASN 70 29.455 23.773 44.733 1.00 32.75 C ATOM 4 CG ASN 70 29.171 22.902 43.515 1.00 32.75 C ATOM 5 OD1 ASN 70 28.075 22.367 43.363 1.00 32.75 O ATOM 6 ND2 ASN 70 30.198 22.742 42.636 1.00 32.75 N ATOM 7 C ASN 70 30.629 23.673 46.911 1.00 32.75 C ATOM 8 O ASN 70 31.559 23.237 47.587 1.00 32.75 O ATOM 9 N CYS 71 30.097 24.887 47.135 1.00 84.77 N ATOM 10 CA CYS 71 30.682 25.657 48.184 1.00 84.77 C ATOM 11 CB CYS 71 30.286 27.141 48.180 1.00 84.77 C ATOM 12 SG CYS 71 28.543 27.385 48.633 1.00 84.77 S ATOM 13 C CYS 71 30.221 25.065 49.470 1.00 84.77 C ATOM 14 O CYS 71 29.052 24.713 49.626 1.00 84.77 O ATOM 15 N HIS 72 31.160 24.911 50.421 1.00 79.41 N ATOM 16 CA HIS 72 30.802 24.400 51.707 1.00 79.41 C ATOM 17 ND1 HIS 72 33.134 21.868 50.914 1.00 79.41 N ATOM 18 CG HIS 72 32.040 22.153 51.695 1.00 79.41 C ATOM 19 CB HIS 72 31.825 23.463 52.379 1.00 79.41 C ATOM 20 NE2 HIS 72 31.873 20.039 50.929 1.00 79.41 N ATOM 21 CD2 HIS 72 31.278 21.025 51.695 1.00 79.41 C ATOM 22 CE1 HIS 72 32.985 20.591 50.481 1.00 79.41 C ATOM 23 C HIS 72 30.783 25.584 52.590 1.00 79.41 C ATOM 24 O HIS 72 31.236 26.664 52.212 1.00 79.41 O ATOM 25 N CYS 73 30.230 25.421 53.797 1.00 40.49 N ATOM 26 CA CYS 73 30.225 26.537 54.679 1.00 40.49 C ATOM 27 CB CYS 73 28.863 26.837 55.318 1.00 40.49 C ATOM 28 SG CYS 73 27.595 27.263 54.093 1.00 40.49 S ATOM 29 C CYS 73 31.128 26.188 55.805 1.00 40.49 C ATOM 30 O CYS 73 31.317 25.018 56.136 1.00 40.49 O ATOM 31 N ASN 74 31.727 27.219 56.414 1.00 73.06 N ATOM 32 CA ASN 74 32.575 27.013 57.542 1.00 73.06 C ATOM 33 CB ASN 74 33.520 28.196 57.787 1.00 73.06 C ATOM 34 CG ASN 74 34.280 28.466 56.498 1.00 73.06 C ATOM 35 OD1 ASN 74 34.983 27.604 55.976 1.00 73.06 O ATOM 36 ND2 ASN 74 34.119 29.702 55.957 1.00 73.06 N ATOM 37 C ASN 74 31.659 26.945 58.724 1.00 73.06 C ATOM 38 O ASN 74 30.457 27.176 58.602 1.00 73.06 O ATOM 39 N ARG 75 32.204 26.604 59.905 1.00244.43 N ATOM 40 CA ARG 75 31.382 26.605 61.078 1.00244.43 C ATOM 41 CB ARG 75 32.045 25.920 62.284 1.00244.43 C ATOM 42 CG ARG 75 33.397 26.543 62.645 1.00244.43 C ATOM 43 CD ARG 75 34.107 25.884 63.831 1.00244.43 C ATOM 44 NE ARG 75 35.506 26.389 63.844 1.00244.43 N ATOM 45 CZ ARG 75 36.504 25.618 63.328 1.00244.43 C ATOM 46 NH1 ARG 75 36.273 24.324 62.958 1.00244.43 N ATOM 47 NH2 ARG 75 37.744 26.163 63.176 1.00244.43 N ATOM 48 C ARG 75 31.185 28.044 61.424 1.00244.43 C ATOM 49 O ARG 75 32.111 28.845 61.329 1.00244.43 O ATOM 50 N GLY 76 29.956 28.419 61.819 1.00220.97 N ATOM 51 CA GLY 76 29.712 29.800 62.104 1.00220.97 C ATOM 52 C GLY 76 29.108 30.392 60.872 1.00220.97 C ATOM 53 O GLY 76 28.617 31.519 60.888 1.00220.97 O ATOM 54 N TYR 77 29.139 29.632 59.759 1.00 81.68 N ATOM 55 CA TYR 77 28.511 30.057 58.540 1.00 81.68 C ATOM 56 CB TYR 77 29.456 30.064 57.319 1.00 81.68 C ATOM 57 CG TYR 77 30.544 31.074 57.531 1.00 81.68 C ATOM 58 CD1 TYR 77 31.679 30.725 58.230 1.00 81.68 C ATOM 59 CD2 TYR 77 30.442 32.359 57.043 1.00 81.68 C ATOM 60 CE1 TYR 77 32.692 31.630 58.444 1.00 81.68 C ATOM 61 CE2 TYR 77 31.455 33.269 57.253 1.00 81.68 C ATOM 62 CZ TYR 77 32.578 32.907 57.957 1.00 81.68 C ATOM 63 OH TYR 77 33.618 33.835 58.178 1.00 81.68 O ATOM 64 C TYR 77 27.463 29.016 58.259 1.00 81.68 C ATOM 65 O TYR 77 27.722 27.825 58.414 1.00 81.68 O ATOM 66 N ARG 78 26.240 29.428 57.854 1.00181.29 N ATOM 67 CA ARG 78 25.219 28.437 57.644 1.00181.29 C ATOM 68 CB ARG 78 24.210 28.367 58.794 1.00181.29 C ATOM 69 CG ARG 78 24.825 28.014 60.145 1.00181.29 C ATOM 70 CD ARG 78 23.786 28.050 61.263 1.00181.29 C ATOM 71 NE ARG 78 23.230 29.434 61.294 1.00181.29 N ATOM 72 CZ ARG 78 21.879 29.632 61.313 1.00181.29 C ATOM 73 NH1 ARG 78 21.034 28.565 61.224 1.00181.29 N ATOM 74 NH2 ARG 78 21.370 30.894 61.417 1.00181.29 N ATOM 75 C ARG 78 24.414 28.786 56.433 1.00181.29 C ATOM 76 O ARG 78 24.170 29.958 56.143 1.00181.29 O ATOM 77 N LEU 79 23.948 27.760 55.701 1.00 44.17 N ATOM 78 CA LEU 79 23.158 28.020 54.535 1.00 44.17 C ATOM 79 CB LEU 79 22.828 26.749 53.730 1.00 44.17 C ATOM 80 CG LEU 79 24.072 25.999 53.209 1.00 44.17 C ATOM 81 CD1 LEU 79 23.685 24.746 52.415 1.00 44.17 C ATOM 82 CD2 LEU 79 24.998 26.924 52.405 1.00 44.17 C ATOM 83 C LEU 79 21.862 28.579 55.022 1.00 44.17 C ATOM 84 O LEU 79 21.361 28.174 56.067 1.00 44.17 O ATOM 85 N HIS 80 21.277 29.549 54.295 1.00139.76 N ATOM 86 CA HIS 80 20.018 30.031 54.783 1.00139.76 C ATOM 87 ND1 HIS 80 18.410 31.849 52.585 1.00139.76 N ATOM 88 CG HIS 80 19.549 32.097 53.314 1.00139.76 C ATOM 89 CB HIS 80 19.792 31.555 54.685 1.00139.76 C ATOM 90 NE2 HIS 80 19.655 33.230 51.368 1.00139.76 N ATOM 91 CD2 HIS 80 20.301 32.940 52.558 1.00139.76 C ATOM 92 CE1 HIS 80 18.524 32.552 51.431 1.00139.76 C ATOM 93 C HIS 80 18.931 29.282 54.079 1.00139.76 C ATOM 94 O HIS 80 19.202 28.379 53.288 1.00139.76 O ATOM 95 N VAL 81 17.657 29.605 54.383 1.00 31.77 N ATOM 96 CA VAL 81 16.579 28.839 53.817 1.00 31.77 C ATOM 97 CB VAL 81 15.370 28.771 54.703 1.00 31.77 C ATOM 98 CG1 VAL 81 14.239 28.062 53.940 1.00 31.77 C ATOM 99 CG2 VAL 81 15.776 28.080 56.015 1.00 31.77 C ATOM 100 C VAL 81 16.141 29.422 52.512 1.00 31.77 C ATOM 101 O VAL 81 15.964 30.629 52.372 1.00 31.77 O ATOM 102 N GLY 82 15.972 28.539 51.509 1.00 12.63 N ATOM 103 CA GLY 82 15.518 28.924 50.206 1.00 12.63 C ATOM 104 C GLY 82 16.719 29.364 49.443 1.00 12.63 C ATOM 105 O GLY 82 16.659 29.614 48.239 1.00 12.63 O ATOM 106 N ALA 83 17.851 29.467 50.165 1.00 33.20 N ATOM 107 CA ALA 83 19.079 29.939 49.603 1.00 33.20 C ATOM 108 CB ALA 83 20.202 30.044 50.650 1.00 33.20 C ATOM 109 C ALA 83 19.552 29.004 48.541 1.00 33.20 C ATOM 110 O ALA 83 19.940 29.433 47.456 1.00 33.20 O ATOM 111 N GLY 84 19.490 27.686 48.806 1.00 16.97 N ATOM 112 CA GLY 84 20.012 26.761 47.845 1.00 16.97 C ATOM 113 C GLY 84 21.416 26.439 48.245 1.00 16.97 C ATOM 114 O GLY 84 22.130 25.733 47.532 1.00 16.97 O ATOM 115 N GLY 85 21.853 26.975 49.402 1.00 23.99 N ATOM 116 CA GLY 85 23.173 26.686 49.891 1.00 23.99 C ATOM 117 C GLY 85 24.150 27.520 49.134 1.00 23.99 C ATOM 118 O GLY 85 25.358 27.297 49.186 1.00 23.99 O ATOM 119 N ARG 86 23.620 28.502 48.388 1.00125.18 N ATOM 120 CA ARG 86 24.424 29.366 47.581 1.00125.18 C ATOM 121 CB ARG 86 23.551 30.298 46.734 1.00125.18 C ATOM 122 CG ARG 86 22.547 29.558 45.847 1.00125.18 C ATOM 123 CD ARG 86 23.110 29.121 44.497 1.00125.18 C ATOM 124 NE ARG 86 23.028 27.637 44.441 1.00125.18 N ATOM 125 CZ ARG 86 21.863 27.046 44.040 1.00125.18 C ATOM 126 NH1 ARG 86 20.757 27.810 43.804 1.00125.18 N ATOM 127 NH2 ARG 86 21.796 25.695 43.860 1.00125.18 N ATOM 128 C ARG 86 25.285 30.203 48.477 1.00125.18 C ATOM 129 O ARG 86 26.477 30.377 48.230 1.00125.18 O ATOM 130 N SER 87 24.700 30.736 49.569 1.00 81.04 N ATOM 131 CA SER 87 25.485 31.576 50.422 1.00 81.04 C ATOM 132 CB SER 87 25.026 33.043 50.448 1.00 81.04 C ATOM 133 OG SER 87 23.759 33.138 51.087 1.00 81.04 O ATOM 134 C SER 87 25.363 31.083 51.820 1.00 81.04 C ATOM 135 O SER 87 24.353 30.511 52.226 1.00 81.04 O ATOM 136 N CYS 88 26.440 31.308 52.587 1.00 51.73 N ATOM 137 CA CYS 88 26.467 30.922 53.958 1.00 51.73 C ATOM 138 CB CYS 88 27.823 30.307 54.358 1.00 51.73 C ATOM 139 SG CYS 88 28.319 28.956 53.238 1.00 51.73 S ATOM 140 C CYS 88 26.278 32.198 54.709 1.00 51.73 C ATOM 141 O CYS 88 27.068 33.129 54.568 1.00 51.73 O ATOM 142 N VAL 89 25.206 32.275 55.519 1.00 50.82 N ATOM 143 CA VAL 89 24.933 33.480 56.237 1.00 50.82 C ATOM 144 CB VAL 89 23.683 33.408 57.070 1.00 50.82 C ATOM 145 CG1 VAL 89 23.518 34.750 57.808 1.00 50.82 C ATOM 146 CG2 VAL 89 22.493 32.999 56.180 1.00 50.82 C ATOM 147 C VAL 89 26.069 33.615 57.183 1.00 50.82 C ATOM 148 O VAL 89 26.450 32.643 57.825 1.00 50.82 O ATOM 149 N ASP 90 26.660 34.820 57.303 0.50 61.92 N ATOM 150 CA ASP 90 27.778 34.891 58.200 0.50 61.92 C ATOM 151 CB ASP 90 28.776 36.011 57.854 0.50 61.92 C ATOM 152 CG ASP 90 29.421 35.649 56.522 0.50 61.92 C ATOM 153 OD1 ASP 90 28.823 34.813 55.791 1.00 61.92 O ATOM 154 OD2 ASP 90 30.515 36.197 56.218 1.00 61.92 O ATOM 155 C ASP 90 27.226 35.144 59.562 0.50 61.92 C ATOM 156 O ASP 90 27.084 36.288 59.991 0.50 61.92 O ATOM 157 N LEU 91 26.881 34.051 60.271 1.00 87.69 N ATOM 158 CA LEU 91 26.317 34.156 61.585 1.00 87.69 C ATOM 159 CB LEU 91 25.900 32.775 62.149 1.00 87.69 C ATOM 160 CG LEU 91 25.212 32.762 63.538 1.00 87.69 C ATOM 161 CD1 LEU 91 24.726 31.345 63.876 1.00 87.69 C ATOM 162 CD2 LEU 91 26.109 33.305 64.666 1.00 87.69 C ATOM 163 C LEU 91 27.375 34.744 62.457 1.00 87.69 C ATOM 164 O LEU 91 27.113 35.637 63.262 1.00 87.69 O ATOM 165 N ASN 92 28.613 34.244 62.298 1.00 56.29 N ATOM 166 CA ASN 92 29.711 34.691 63.096 1.00 56.29 C ATOM 167 CB ASN 92 30.868 33.685 63.150 1.00 56.29 C ATOM 168 CG ASN 92 31.679 34.057 64.381 1.00 56.29 C ATOM 169 OD1 ASN 92 32.789 34.572 64.282 1.00 56.29 O ATOM 170 ND2 ASN 92 31.086 33.813 65.582 1.00 56.29 N ATOM 171 C ASN 92 30.261 35.958 62.459 1.00 56.29 C ATOM 172 O ASN 92 31.015 35.837 61.453 1.00 56.29 O ATOM 173 OXT ASN 92 29.926 37.060 62.972 1.00 56.29 O