EXPDTA THEORETICAL MODEL, MODELLER 9.15 2017/03/07 08:54:43 REMARK 6 MODELLER OBJECTIVE FUNCTION: -1245.0111 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 50.000 REMARK 6 SEQUENCE: model REMARK 6 DOPE score: -1245.01111 REMARK 6 GA341 score: 0.90832 REMARK 6 Normalized DOPE score: -0.62752 REMARK 6 TEMPLATE: 2p26_A ATOM 1 N CYS 2 -15.870 -2.066 -41.873 1.00 36.44 N ATOM 2 CA CYS 2 -16.327 -2.762 -43.097 1.00 36.44 C ATOM 3 CB CYS 2 -17.866 -2.831 -43.114 1.00 36.44 C ATOM 4 SG CYS 2 -18.529 -3.704 -41.660 1.00 36.44 S ATOM 5 C CYS 2 -15.841 -1.989 -44.281 1.00 36.44 C ATOM 6 O CYS 2 -16.307 -2.174 -45.404 1.00 36.44 O ATOM 7 N GLU 3 -14.866 -1.098 -44.020 1.00124.20 N ATOM 8 CA GLU 3 -14.209 -0.262 -44.982 1.00124.20 C ATOM 9 CB GLU 3 -13.447 -1.046 -46.064 1.00124.20 C ATOM 10 CG GLU 3 -12.448 -0.180 -46.833 1.00124.20 C ATOM 11 CD GLU 3 -11.310 0.158 -45.878 1.00124.20 C ATOM 12 OE1 GLU 3 -11.596 0.791 -44.828 1.00124.20 O ATOM 13 OE2 GLU 3 -10.144 -0.214 -46.180 1.00124.20 O ATOM 14 C GLU 3 -15.200 0.639 -45.648 1.00124.20 C ATOM 15 O GLU 3 -14.968 1.103 -46.763 1.00124.20 O ATOM 16 N GLY 4 -16.333 0.916 -44.978 1.00 31.38 N ATOM 17 CA GLY 4 -17.306 1.830 -45.512 1.00 31.38 C ATOM 18 C GLY 4 -18.044 1.143 -46.617 1.00 31.38 C ATOM 19 O GLY 4 -18.968 1.706 -47.204 1.00 31.38 O ATOM 20 N HIS 5 -17.603 -0.088 -46.939 1.00101.52 N ATOM 21 CA HIS 5 -18.149 -0.933 -47.964 1.00101.52 C ATOM 22 ND1 HIS 5 -14.738 -1.432 -48.894 1.00101.52 N ATOM 23 CG HIS 5 -16.063 -1.464 -49.271 1.00101.52 C ATOM 24 CB HIS 5 -17.179 -2.027 -48.443 1.00101.52 C ATOM 25 NE2 HIS 5 -14.853 -0.477 -50.900 1.00101.52 N ATOM 26 CD2 HIS 5 -16.114 -0.876 -50.496 1.00101.52 C ATOM 27 CE1 HIS 5 -14.060 -0.832 -49.905 1.00101.52 C ATOM 28 C HIS 5 -19.430 -1.590 -47.543 1.00101.52 C ATOM 29 O HIS 5 -20.208 -2.025 -48.390 1.00101.52 O ATOM 30 N GLY 6 -19.671 -1.753 -46.228 1.00 31.14 N ATOM 31 CA GLY 6 -20.863 -2.465 -45.858 1.00 31.14 C ATOM 32 C GLY 6 -21.312 -2.001 -44.511 1.00 31.14 C ATOM 33 O GLY 6 -20.775 -1.048 -43.952 1.00 31.14 O ATOM 34 N GLN 7 -22.347 -2.671 -43.962 1.00 79.10 N ATOM 35 CA GLN 7 -22.852 -2.301 -42.673 1.00 79.10 C ATOM 36 CB GLN 7 -24.382 -2.204 -42.597 1.00 79.10 C ATOM 37 CG GLN 7 -24.947 -0.948 -43.258 1.00 79.10 C ATOM 38 CD GLN 7 -24.734 -1.043 -44.758 1.00 79.10 C ATOM 39 OE1 GLN 7 -24.526 -2.120 -45.313 1.00 79.10 O ATOM 40 NE2 GLN 7 -24.791 0.136 -45.432 1.00 79.10 N ATOM 41 C GLN 7 -22.430 -3.328 -41.680 1.00 79.10 C ATOM 42 O GLN 7 -22.368 -4.519 -41.979 1.00 79.10 O ATOM 43 N CYS 8 -22.120 -2.873 -40.451 1.00 32.37 N ATOM 44 CA CYS 8 -21.682 -3.793 -39.447 1.00 32.37 C ATOM 45 CB CYS 8 -20.555 -3.247 -38.556 1.00 32.37 C ATOM 46 SG CYS 8 -20.014 -4.450 -37.304 1.00 32.37 S ATOM 47 C CYS 8 -22.841 -4.089 -38.566 1.00 32.37 C ATOM 48 O CYS 8 -23.467 -3.178 -38.024 1.00 32.37 O ATOM 49 N ASN 9 -23.179 -5.387 -38.432 1.00 49.37 N ATOM 50 CA ASN 9 -24.247 -5.762 -37.561 1.00 49.37 C ATOM 51 CB ASN 9 -25.504 -6.264 -38.296 1.00 49.37 C ATOM 52 CG ASN 9 -26.178 -5.062 -38.947 1.00 49.37 C ATOM 53 OD1 ASN 9 -25.805 -3.916 -38.700 1.00 49.37 O ATOM 54 ND2 ASN 9 -27.212 -5.321 -39.790 1.00 49.37 N ATOM 55 C ASN 9 -23.760 -6.873 -36.687 1.00 49.37 C ATOM 56 O ASN 9 -23.468 -7.972 -37.154 1.00 49.37 O ATOM 57 N CYS 10 -23.669 -6.603 -35.374 1.00 71.63 N ATOM 58 CA CYS 10 -23.258 -7.599 -34.431 1.00 71.63 C ATOM 59 CB CYS 10 -24.241 -8.782 -34.340 1.00 71.63 C ATOM 60 SG CYS 10 -25.885 -8.278 -33.742 1.00 71.63 S ATOM 61 C CYS 10 -21.897 -8.120 -34.792 1.00 71.63 C ATOM 62 O CYS 10 -21.580 -9.277 -34.523 1.00 71.63 O ATOM 63 N GLY 11 -21.042 -7.278 -35.403 1.00 28.93 N ATOM 64 CA GLY 11 -19.693 -7.698 -35.666 1.00 28.93 C ATOM 65 C GLY 11 -19.549 -8.294 -37.036 1.00 28.93 C ATOM 66 O GLY 11 -18.433 -8.599 -37.457 1.00 28.93 O ATOM 67 N ARG 12 -20.649 -8.485 -37.788 1.00100.40 N ATOM 68 CA ARG 12 -20.452 -9.054 -39.091 1.00100.40 C ATOM 69 CB ARG 12 -21.307 -10.305 -39.377 1.00100.40 C ATOM 70 CG ARG 12 -22.823 -10.111 -39.303 1.00100.40 C ATOM 71 CD ARG 12 -23.582 -11.439 -39.404 1.00100.40 C ATOM 72 NE ARG 12 -25.043 -11.150 -39.330 1.00100.40 N ATOM 73 CZ ARG 12 -25.943 -12.177 -39.343 1.00100.40 C ATOM 74 NH1 ARG 12 -25.502 -13.468 -39.371 1.00100.40 N ATOM 75 NH2 ARG 12 -27.283 -11.912 -39.325 1.00100.40 N ATOM 76 C ARG 12 -20.747 -8.004 -40.111 1.00100.40 C ATOM 77 O ARG 12 -21.671 -7.207 -39.954 1.00100.40 O ATOM 78 N CYS 13 -19.939 -7.967 -41.190 1.00 45.28 N ATOM 79 CA CYS 13 -20.124 -6.957 -42.190 1.00 45.28 C ATOM 80 CB CYS 13 -18.816 -6.486 -42.862 1.00 45.28 C ATOM 81 SG CYS 13 -17.712 -5.566 -41.747 1.00 45.28 S ATOM 82 C CYS 13 -21.001 -7.502 -43.272 1.00 45.28 C ATOM 83 O CYS 13 -20.749 -8.580 -43.811 1.00 45.28 O ATOM 84 N ASP 14 -22.086 -6.761 -43.583 1.00 44.47 N ATOM 85 CA ASP 14 -22.955 -7.088 -44.675 1.00 44.47 C ATOM 86 CB ASP 14 -24.435 -6.769 -44.393 1.00 44.47 C ATOM 87 CG ASP 14 -24.946 -7.740 -43.335 1.00 44.47 C ATOM 88 OD1 ASP 14 -24.279 -8.786 -43.115 1.00 44.47 O ATOM 89 OD2 ASP 14 -26.010 -7.444 -42.728 1.00 44.47 O ATOM 90 C ASP 14 -22.496 -6.187 -45.777 1.00 44.47 C ATOM 91 O ASP 14 -22.794 -4.994 -45.781 1.00 44.47 O ATOM 92 N CYS 15 -21.755 -6.751 -46.748 1.00 56.34 N ATOM 93 CA CYS 15 -21.098 -5.956 -47.744 1.00 56.34 C ATOM 94 CB CYS 15 -20.000 -6.724 -48.504 1.00 56.34 C ATOM 95 SG CYS 15 -18.823 -7.563 -47.397 1.00 56.34 S ATOM 96 C CYS 15 -22.072 -5.453 -48.760 1.00 56.34 C ATOM 97 O CYS 15 -23.072 -6.097 -49.072 1.00 56.34 O ATOM 98 N LYS 16 -21.776 -4.257 -49.305 1.00110.24 N ATOM 99 CA LYS 16 -22.567 -3.671 -50.342 1.00110.24 C ATOM 100 CB LYS 16 -22.208 -2.206 -50.634 1.00110.24 C ATOM 101 CG LYS 16 -22.588 -1.237 -49.514 1.00110.24 C ATOM 102 CD LYS 16 -24.091 -1.194 -49.237 1.00110.24 C ATOM 103 CE LYS 16 -24.502 -0.084 -48.274 1.00110.24 C ATOM 104 NZ LYS 16 -24.396 1.227 -48.950 1.00110.24 N ATOM 105 C LYS 16 -22.280 -4.458 -51.577 1.00110.24 C ATOM 106 O LYS 16 -21.269 -5.155 -51.654 1.00110.24 O ATOM 107 N ALA 17 -23.176 -4.374 -52.577 1.00 25.07 N ATOM 108 CA ALA 17 -22.997 -5.140 -53.774 1.00 25.07 C ATOM 109 CB ALA 17 -24.122 -4.934 -54.802 1.00 25.07 C ATOM 110 C ALA 17 -21.713 -4.737 -54.421 1.00 25.07 C ATOM 111 O ALA 17 -21.348 -3.563 -54.447 1.00 25.07 O ATOM 112 N GLY 18 -20.989 -5.738 -54.961 1.00 16.53 N ATOM 113 CA GLY 18 -19.756 -5.488 -55.644 1.00 16.53 C ATOM 114 C GLY 18 -18.619 -5.666 -54.689 1.00 16.53 C ATOM 115 O GLY 18 -17.459 -5.616 -55.097 1.00 16.53 O ATOM 116 N TRP 19 -18.913 -5.875 -53.390 1.00 48.75 N ATOM 117 CA TRP 19 -17.834 -6.045 -52.458 1.00 48.75 C ATOM 118 CB TRP 19 -17.709 -4.886 -51.461 1.00 48.75 C ATOM 119 CG TRP 19 -17.334 -3.604 -52.159 1.00 48.75 C ATOM 120 CD2 TRP 19 -16.004 -3.287 -52.595 1.00 48.75 C ATOM 121 CD1 TRP 19 -18.128 -2.565 -52.547 1.00 48.75 C ATOM 122 NE1 TRP 19 -17.375 -1.620 -53.201 1.00 48.75 N ATOM 123 CE2 TRP 19 -16.065 -2.049 -53.239 1.00 48.75 C ATOM 124 CE3 TRP 19 -14.829 -3.969 -52.470 1.00 48.75 C ATOM 125 CZ2 TRP 19 -14.946 -1.474 -53.767 1.00 48.75 C ATOM 126 CZ3 TRP 19 -13.703 -3.387 -53.007 1.00 48.75 C ATOM 127 CH2 TRP 19 -13.760 -2.164 -53.644 1.00 48.75 C ATOM 128 C TRP 19 -18.054 -7.316 -51.700 1.00 48.75 C ATOM 129 O TRP 19 -19.187 -7.678 -51.387 1.00 48.75 O ATOM 130 N TYR 20 -16.953 -8.033 -51.391 1.00140.84 N ATOM 131 CA TYR 20 -17.062 -9.300 -50.727 1.00140.84 C ATOM 132 CB TYR 20 -16.920 -10.479 -51.716 1.00140.84 C ATOM 133 CG TYR 20 -17.197 -11.779 -51.037 1.00140.84 C ATOM 134 CD1 TYR 20 -18.496 -12.195 -50.853 1.00140.84 C ATOM 135 CD2 TYR 20 -16.173 -12.583 -50.586 1.00140.84 C ATOM 136 CE1 TYR 20 -18.771 -13.389 -50.230 1.00140.84 C ATOM 137 CE2 TYR 20 -16.440 -13.778 -49.961 1.00140.84 C ATOM 138 CZ TYR 20 -17.741 -14.181 -49.784 1.00140.84 C ATOM 139 OH TYR 20 -18.017 -15.407 -49.145 1.00140.84 O ATOM 140 C TYR 20 -15.969 -9.391 -49.703 1.00140.84 C ATOM 141 O TYR 20 -15.049 -8.574 -49.679 1.00140.84 O ATOM 142 N GLY 21 -16.065 -10.398 -48.811 1.00 23.78 N ATOM 143 CA GLY 21 -15.076 -10.611 -47.796 1.00 23.78 C ATOM 144 C GLY 21 -15.658 -10.211 -46.480 1.00 23.78 C ATOM 145 O GLY 21 -16.635 -9.470 -46.407 1.00 23.78 O ATOM 146 N LYS 22 -15.048 -10.717 -45.394 1.00 79.02 N ATOM 147 CA LYS 22 -15.497 -10.436 -44.064 1.00 79.02 C ATOM 148 CB LYS 22 -14.603 -11.134 -43.027 1.00 79.02 C ATOM 149 CG LYS 22 -14.996 -10.916 -41.567 1.00 79.02 C ATOM 150 CD LYS 22 -14.244 -11.849 -40.616 1.00 79.02 C ATOM 151 CE LYS 22 -14.466 -11.549 -39.132 1.00 79.02 C ATOM 152 NZ LYS 22 -13.628 -12.451 -38.309 1.00 79.02 N ATOM 153 C LYS 22 -15.375 -8.959 -43.869 1.00 79.02 C ATOM 154 O LYS 22 -16.251 -8.313 -43.297 1.00 79.02 O ATOM 155 N LYS 23 -14.237 -8.418 -44.328 1.00123.76 N ATOM 156 CA LYS 23 -13.867 -7.034 -44.296 1.00123.76 C ATOM 157 CB LYS 23 -12.364 -6.838 -44.563 1.00123.76 C ATOM 158 CG LYS 23 -11.479 -7.417 -43.455 1.00123.76 C ATOM 159 CD LYS 23 -10.015 -7.585 -43.868 1.00123.76 C ATOM 160 CE LYS 23 -9.398 -6.326 -44.479 1.00123.76 C ATOM 161 NZ LYS 23 -9.144 -5.319 -43.423 1.00123.76 N ATOM 162 C LYS 23 -14.621 -6.258 -45.330 1.00123.76 C ATOM 163 O LYS 23 -14.808 -5.052 -45.182 1.00123.76 O ATOM 164 N CYS 24 -15.059 -6.926 -46.414 1.00 62.16 N ATOM 165 CA CYS 24 -15.671 -6.246 -47.520 1.00 62.16 C ATOM 166 CB CYS 24 -16.810 -5.293 -47.112 1.00 62.16 C ATOM 167 SG CYS 24 -18.131 -6.105 -46.165 1.00 62.16 S ATOM 168 C CYS 24 -14.601 -5.409 -48.154 1.00 62.16 C ATOM 169 O CYS 24 -14.876 -4.457 -48.883 1.00 62.16 O ATOM 170 N GLU 25 -13.326 -5.757 -47.905 1.00 30.46 N ATOM 171 CA GLU 25 -12.269 -4.989 -48.492 1.00 30.46 C ATOM 172 CB GLU 25 -10.891 -5.240 -47.862 1.00 30.46 C ATOM 173 CG GLU 25 -10.410 -6.682 -47.996 1.00 30.46 C ATOM 174 CD GLU 25 -9.022 -6.732 -47.385 1.00 30.46 C ATOM 175 OE1 GLU 25 -8.472 -5.637 -47.090 1.00 30.46 O ATOM 176 OE2 GLU 25 -8.489 -7.858 -47.208 1.00 30.46 O ATOM 177 C GLU 25 -12.177 -5.380 -49.962 1.00 30.46 C ATOM 178 O GLU 25 -11.122 -5.087 -50.586 1.00 30.46 O ATOM 179 OXT GLU 25 -13.158 -5.975 -50.482 1.00 30.46 O