EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:06:18 REMARK 6 MODELLER OBJECTIVE FUNCTION: 69.9814 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 47.619 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1323.94763 REMARK 6 GA341 score: 0.98880 REMARK 6 Normalized DOPE score: -0.67596 REMARK 6 TEMPLATE: 2i13A02 77:A - 97:A MODELS 1: - 21: AT 47.6% ATOM 1 N PRO 109 -20.584 33.548 59.806 1.00 62.13 N ATOM 2 CA PRO 109 -21.257 33.641 61.131 1.00 62.13 C ATOM 3 CD PRO 109 -20.144 32.131 59.562 1.00 62.13 C ATOM 4 CB PRO 109 -21.262 32.223 61.714 1.00 62.13 C ATOM 5 CG PRO 109 -20.171 31.469 60.945 1.00 62.13 C ATOM 6 C PRO 109 -20.524 34.647 61.962 1.00 62.13 C ATOM 7 O PRO 109 -21.170 35.458 62.617 1.00 62.13 O ATOM 8 N PHE 110 -19.174 34.619 61.956 1.00 59.01 N ATOM 9 CA PHE 110 -18.498 35.593 62.757 1.00 59.01 C ATOM 10 CB PHE 110 -17.242 35.078 63.475 1.00 59.01 C ATOM 11 CG PHE 110 -17.753 34.211 64.565 1.00 59.01 C ATOM 12 CD1 PHE 110 -18.265 34.777 65.709 1.00 59.01 C ATOM 13 CD2 PHE 110 -17.739 32.842 64.443 1.00 59.01 C ATOM 14 CE1 PHE 110 -18.743 33.988 66.727 1.00 59.01 C ATOM 15 CE2 PHE 110 -18.216 32.050 65.459 1.00 59.01 C ATOM 16 CZ PHE 110 -18.718 32.622 66.602 1.00 59.01 C ATOM 17 C PHE 110 -18.094 36.719 61.885 1.00 59.01 C ATOM 18 O PHE 110 -17.332 36.551 60.934 1.00 59.01 O ATOM 19 N THR 111 -18.620 37.915 62.201 1.00101.23 N ATOM 20 CA THR 111 -18.304 39.075 61.433 1.00101.23 C ATOM 21 CB THR 111 -19.502 39.745 60.837 1.00101.23 C ATOM 22 OG1 THR 111 -20.401 40.176 61.847 1.00101.23 O ATOM 23 CG2 THR 111 -20.194 38.725 59.923 1.00101.23 C ATOM 24 C THR 111 -17.630 40.050 62.332 1.00101.23 C ATOM 25 O THR 111 -17.986 40.190 63.501 1.00101.23 O ATOM 26 N CYS 112 -16.600 40.734 61.795 1.00 38.76 N ATOM 27 CA CYS 112 -15.900 41.708 62.576 1.00 38.76 C ATOM 28 CB CYS 112 -14.528 42.108 62.011 1.00 38.76 C ATOM 29 SG CYS 112 -13.683 43.349 63.042 1.00 38.76 S ATOM 30 C CYS 112 -16.748 42.933 62.613 1.00 38.76 C ATOM 31 O CYS 112 -17.281 43.372 61.596 1.00 38.76 O ATOM 32 N GLU 113 -16.897 43.524 63.809 1.00 45.41 N ATOM 33 CA GLU 113 -17.740 44.671 63.925 1.00 45.41 C ATOM 34 CB GLU 113 -17.938 45.121 65.379 1.00 45.41 C ATOM 35 CG GLU 113 -18.766 44.134 66.202 1.00 45.41 C ATOM 36 CD GLU 113 -18.946 44.754 67.576 1.00 45.41 C ATOM 37 OE1 GLU 113 -19.419 45.921 67.618 1.00 45.41 O ATOM 38 OE2 GLU 113 -18.619 44.088 68.591 1.00 45.41 O ATOM 39 C GLU 113 -17.158 45.812 63.152 1.00 45.41 C ATOM 40 O GLU 113 -17.892 46.579 62.525 1.00 45.41 O ATOM 41 N GLN 114 -15.828 45.998 63.206 1.00110.76 N ATOM 42 CA GLN 114 -15.323 47.147 62.518 1.00110.76 C ATOM 43 CB GLN 114 -13.891 47.504 62.940 1.00110.76 C ATOM 44 CG GLN 114 -13.816 47.919 64.410 1.00110.76 C ATOM 45 CD GLN 114 -12.425 48.472 64.655 1.00110.76 C ATOM 46 OE1 GLN 114 -11.718 48.831 63.716 1.00110.76 O ATOM 47 NE2 GLN 114 -12.024 48.549 65.953 1.00110.76 N ATOM 48 C GLN 114 -15.358 47.019 61.022 1.00110.76 C ATOM 49 O GLN 114 -15.994 47.832 60.352 1.00110.76 O ATOM 50 N CYS 115 -14.681 45.986 60.468 1.00 54.41 N ATOM 51 CA CYS 115 -14.577 45.836 59.037 1.00 54.41 C ATOM 52 CB CYS 115 -13.454 44.874 58.586 1.00 54.41 C ATOM 53 SG CYS 115 -13.680 43.167 59.162 1.00 54.41 S ATOM 54 C CYS 115 -15.875 45.375 58.448 1.00 54.41 C ATOM 55 O CYS 115 -16.295 45.859 57.400 1.00 54.41 O ATOM 56 N GLY 116 -16.563 44.431 59.120 1.00 26.20 N ATOM 57 CA GLY 116 -17.809 43.944 58.597 1.00 26.20 C ATOM 58 C GLY 116 -17.560 42.703 57.796 1.00 26.20 C ATOM 59 O GLY 116 -18.490 42.126 57.232 1.00 26.20 O ATOM 60 N LYS 117 -16.294 42.246 57.734 1.00 90.35 N ATOM 61 CA LYS 117 -15.990 41.066 56.978 1.00 90.35 C ATOM 62 CB LYS 117 -14.493 40.902 56.654 1.00 90.35 C ATOM 63 CG LYS 117 -14.228 39.938 55.488 1.00 90.35 C ATOM 64 CD LYS 117 -12.789 39.988 54.963 1.00 90.35 C ATOM 65 CE LYS 117 -12.569 39.277 53.620 1.00 90.35 C ATOM 66 NZ LYS 117 -12.575 37.809 53.804 1.00 90.35 N ATOM 67 C LYS 117 -16.433 39.874 57.767 1.00 90.35 C ATOM 68 O LYS 117 -16.428 39.894 59.000 1.00 90.35 O ATOM 69 N SER 118 -16.820 38.791 57.063 1.00 51.41 N ATOM 70 CA SER 118 -17.328 37.617 57.716 1.00 51.41 C ATOM 71 CB SER 118 -18.615 37.081 57.068 1.00 51.41 C ATOM 72 OG SER 118 -19.671 38.014 57.242 1.00 51.41 O ATOM 73 C SER 118 -16.308 36.530 57.596 1.00 51.41 C ATOM 74 O SER 118 -15.545 36.479 56.635 1.00 51.41 O ATOM 75 N PHE 119 -16.273 35.628 58.605 1.00133.02 N ATOM 76 CA PHE 119 -15.306 34.572 58.640 1.00133.02 C ATOM 77 CB PHE 119 -14.248 34.794 59.743 1.00133.02 C ATOM 78 CG PHE 119 -13.554 36.082 59.425 1.00133.02 C ATOM 79 CD1 PHE 119 -14.078 37.274 59.875 1.00133.02 C ATOM 80 CD2 PHE 119 -12.404 36.118 58.666 1.00133.02 C ATOM 81 CE1 PHE 119 -13.467 38.473 59.592 1.00133.02 C ATOM 82 CE2 PHE 119 -11.786 37.316 58.379 1.00133.02 C ATOM 83 CZ PHE 119 -12.317 38.495 58.842 1.00133.02 C ATOM 84 C PHE 119 -16.025 33.293 58.934 1.00133.02 C ATOM 85 O PHE 119 -17.038 33.263 59.630 1.00133.02 O ATOM 86 N GLY 120 -15.505 32.189 58.365 1.00 24.66 N ATOM 87 CA GLY 120 -16.064 30.889 58.567 1.00 24.66 C ATOM 88 C GLY 120 -15.893 30.503 60.005 1.00 24.66 C ATOM 89 O GLY 120 -16.780 29.886 60.592 1.00 24.66 O ATOM 90 N GLN 121 -14.745 30.853 60.622 1.00 48.85 N ATOM 91 CA GLN 121 -14.489 30.385 61.959 1.00 48.85 C ATOM 92 CB GLN 121 -13.265 29.463 62.019 1.00 48.85 C ATOM 93 CG GLN 121 -13.422 28.226 61.136 1.00 48.85 C ATOM 94 CD GLN 121 -12.071 27.535 61.082 1.00 48.85 C ATOM 95 OE1 GLN 121 -11.478 27.246 62.119 1.00 48.85 O ATOM 96 NE2 GLN 121 -11.566 27.273 59.847 1.00 48.85 N ATOM 97 C GLN 121 -14.206 31.532 62.890 1.00 48.85 C ATOM 98 O GLN 121 -13.695 32.578 62.493 1.00 48.85 O ATOM 99 N LYS 122 -14.531 31.321 64.186 1.00 75.05 N ATOM 100 CA LYS 122 -14.351 32.300 65.226 1.00 75.05 C ATOM 101 CB LYS 122 -14.874 31.836 66.600 1.00 75.05 C ATOM 102 CG LYS 122 -14.710 32.866 67.726 1.00 75.05 C ATOM 103 CD LYS 122 -15.624 34.089 67.587 1.00 75.05 C ATOM 104 CE LYS 122 -15.642 35.009 68.810 1.00 75.05 C ATOM 105 NZ LYS 122 -16.538 36.159 68.557 1.00 75.05 N ATOM 106 C LYS 122 -12.891 32.588 65.403 1.00 75.05 C ATOM 107 O LYS 122 -12.498 33.735 65.606 1.00 75.05 O ATOM 108 N GLN 123 -12.049 31.541 65.342 1.00112.30 N ATOM 109 CA GLN 123 -10.637 31.682 65.555 1.00112.30 C ATOM 110 CB GLN 123 -9.922 30.316 65.588 1.00112.30 C ATOM 111 CG GLN 123 -10.113 29.460 64.332 1.00112.30 C ATOM 112 CD GLN 123 -9.084 29.827 63.275 1.00112.30 C ATOM 113 OE1 GLN 123 -8.274 30.737 63.448 1.00112.30 O ATOM 114 NE2 GLN 123 -9.116 29.079 62.141 1.00112.30 N ATOM 115 C GLN 123 -10.049 32.550 64.486 1.00112.30 C ATOM 116 O GLN 123 -9.167 33.361 64.760 1.00112.30 O ATOM 117 N GLY 124 -10.513 32.401 63.231 1.00 15.09 N ATOM 118 CA GLY 124 -9.981 33.212 62.171 1.00 15.09 C ATOM 119 C GLY 124 -10.329 34.643 62.462 1.00 15.09 C ATOM 120 O GLY 124 -9.533 35.556 62.251 1.00 15.09 O ATOM 121 N PHE 125 -11.556 34.862 62.961 1.00111.66 N ATOM 122 CA PHE 125 -12.108 36.143 63.307 1.00111.66 C ATOM 123 CB PHE 125 -13.537 35.949 63.859 1.00111.66 C ATOM 124 CG PHE 125 -14.025 37.177 64.545 1.00111.66 C ATOM 125 CD1 PHE 125 -13.688 37.410 65.861 1.00111.66 C ATOM 126 CD2 PHE 125 -14.839 38.076 63.895 1.00111.66 C ATOM 127 CE1 PHE 125 -14.127 38.532 66.518 1.00111.66 C ATOM 128 CE2 PHE 125 -15.283 39.201 64.549 1.00111.66 C ATOM 129 CZ PHE 125 -14.925 39.428 65.855 1.00111.66 C ATOM 130 C PHE 125 -11.245 36.743 64.373 1.00111.66 C ATOM 131 O PHE 125 -10.969 37.943 64.372 1.00111.66 O ATOM 132 N LYS 126 -10.805 35.895 65.317 1.00116.95 N ATOM 133 CA LYS 126 -10.023 36.307 66.446 1.00116.95 C ATOM 134 CB LYS 126 -9.613 35.091 67.293 1.00116.95 C ATOM 135 CG LYS 126 -8.658 35.404 68.442 1.00116.95 C ATOM 136 CD LYS 126 -8.352 34.183 69.309 1.00116.95 C ATOM 137 CE LYS 126 -6.855 33.989 69.560 1.00116.95 C ATOM 138 NZ LYS 126 -6.349 35.080 70.421 1.00116.95 N ATOM 139 C LYS 126 -8.756 36.947 65.978 1.00116.95 C ATOM 140 O LYS 126 -8.400 38.039 66.424 1.00116.95 O ATOM 141 N ALA 127 -8.042 36.289 65.052 1.00 22.08 N ATOM 142 CA ALA 127 -6.796 36.834 64.609 1.00 22.08 C ATOM 143 CB ALA 127 -6.066 35.944 63.589 1.00 22.08 C ATOM 144 C ALA 127 -7.061 38.130 63.926 1.00 22.08 C ATOM 145 O ALA 127 -6.363 39.118 64.148 1.00 22.08 O ATOM 146 N HIS 128 -8.109 38.154 63.088 1.00 41.56 N ATOM 147 CA HIS 128 -8.392 39.321 62.314 1.00 41.56 C ATOM 148 ND1 HIS 128 -9.040 40.783 59.553 1.00 41.56 N ATOM 149 CG HIS 128 -9.878 40.333 60.549 1.00 41.56 C ATOM 150 CB HIS 128 -9.606 39.132 61.399 1.00 41.56 C ATOM 151 NE2 HIS 128 -10.794 42.150 59.579 1.00 41.56 N ATOM 152 CD2 HIS 128 -10.942 41.180 60.552 1.00 41.56 C ATOM 153 CE1 HIS 128 -9.637 41.873 59.006 1.00 41.56 C ATOM 154 C HIS 128 -8.694 40.446 63.234 1.00 41.56 C ATOM 155 O HIS 128 -8.210 41.561 63.050 1.00 41.56 O ATOM 156 N MET 129 -9.498 40.167 64.271 1.00 76.39 N ATOM 157 CA MET 129 -9.876 41.177 65.211 1.00 76.39 C ATOM 158 CB MET 129 -10.921 40.667 66.219 1.00 76.39 C ATOM 159 CG MET 129 -11.566 41.774 67.054 1.00 76.39 C ATOM 160 SD MET 129 -12.721 41.189 68.330 1.00 76.39 S ATOM 161 CE MET 129 -13.429 42.835 68.629 1.00 76.39 C ATOM 162 C MET 129 -8.636 41.580 66.001 1.00 76.39 C ATOM 163 O MET 129 -8.820 42.177 67.094 1.00 76.39 O ATOM 164 OXT MET 129 -7.496 41.297 65.544 1.00 76.39 O