EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:07:02 REMARK 6 MODELLER OBJECTIVE FUNCTION: 85.2805 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 50.000 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -968.14111 REMARK 6 GA341 score: 0.77301 REMARK 6 Normalized DOPE score: -0.19060 REMARK 6 TEMPLATE: 2i13A02 75:A - 94:A MODELS 1: - 20: AT 50.0% ATOM 1 N GLU 331 -9.156 28.672 43.355 1.00 31.85 N ATOM 2 CA GLU 331 -9.738 29.881 43.975 1.00 31.85 C ATOM 3 CB GLU 331 -11.250 29.934 43.687 1.00 31.85 C ATOM 4 CG GLU 331 -11.896 31.287 44.001 1.00 31.85 C ATOM 5 CD GLU 331 -13.360 31.193 43.606 1.00 31.85 C ATOM 6 OE1 GLU 331 -13.645 31.099 42.381 1.00 31.85 O ATOM 7 OE2 GLU 331 -14.214 31.202 44.532 1.00 31.85 O ATOM 8 C GLU 331 -9.502 29.841 45.449 1.00 31.85 C ATOM 9 O GLU 331 -8.643 29.104 45.931 1.00 31.85 O ATOM 10 N LYS 332 -10.254 30.659 46.208 1.00 92.40 N ATOM 11 CA LYS 332 -10.091 30.679 47.630 1.00 92.40 C ATOM 12 CB LYS 332 -9.680 32.077 48.107 1.00 92.40 C ATOM 13 CG LYS 332 -10.485 33.177 47.414 1.00 92.40 C ATOM 14 CD LYS 332 -10.240 34.577 47.975 1.00 92.40 C ATOM 15 CE LYS 332 -10.998 35.682 47.237 1.00 92.40 C ATOM 16 NZ LYS 332 -10.822 36.968 47.946 1.00 92.40 N ATOM 17 C LYS 332 -11.398 30.304 48.254 1.00 92.40 C ATOM 18 O LYS 332 -12.224 31.155 48.587 1.00 92.40 O ATOM 19 N PRO 333 -11.591 29.018 48.394 1.00111.05 N ATOM 20 CA PRO 333 -12.820 28.528 48.962 1.00111.05 C ATOM 21 CD PRO 333 -11.098 28.121 47.360 1.00111.05 C ATOM 22 CB PRO 333 -12.955 27.077 48.511 1.00111.05 C ATOM 23 CG PRO 333 -12.175 27.037 47.191 1.00111.05 C ATOM 24 C PRO 333 -13.003 28.691 50.435 1.00111.05 C ATOM 25 O PRO 333 -14.144 28.610 50.888 1.00111.05 O ATOM 26 N PHE 334 -11.927 28.906 51.211 1.00 61.35 N ATOM 27 CA PHE 334 -12.124 28.933 52.631 1.00 61.35 C ATOM 28 CB PHE 334 -10.931 28.343 53.400 1.00 61.35 C ATOM 29 CG PHE 334 -10.910 26.896 53.053 1.00 61.35 C ATOM 30 CD1 PHE 334 -11.631 25.992 53.798 1.00 61.35 C ATOM 31 CD2 PHE 334 -10.181 26.449 51.976 1.00 61.35 C ATOM 32 CE1 PHE 334 -11.621 24.654 53.478 1.00 61.35 C ATOM 33 CE2 PHE 334 -10.168 25.114 51.653 1.00 61.35 C ATOM 34 CZ PHE 334 -10.887 24.215 52.403 1.00 61.35 C ATOM 35 C PHE 334 -12.321 30.345 53.078 1.00 61.35 C ATOM 36 O PHE 334 -11.482 31.206 52.837 1.00 61.35 O ATOM 37 N THR 335 -13.451 30.616 53.766 1.00 28.83 N ATOM 38 CA THR 335 -13.706 31.957 54.199 1.00 28.83 C ATOM 39 CB THR 335 -14.980 32.527 53.654 1.00 28.83 C ATOM 40 OG1 THR 335 -14.952 32.518 52.234 1.00 28.83 O ATOM 41 CG2 THR 335 -15.119 33.969 54.168 1.00 28.83 C ATOM 42 C THR 335 -13.820 31.962 55.688 1.00 28.83 C ATOM 43 O THR 335 -14.335 31.018 56.289 1.00 28.83 O ATOM 44 N CYS 336 -13.304 33.034 56.323 1.00 35.56 N ATOM 45 CA CYS 336 -13.396 33.154 57.748 1.00 35.56 C ATOM 46 CB CYS 336 -12.298 34.032 58.377 1.00 35.56 C ATOM 47 SG CYS 336 -12.448 34.156 60.186 1.00 35.56 S ATOM 48 C CYS 336 -14.717 33.775 58.065 1.00 35.56 C ATOM 49 O CYS 336 -15.129 34.747 57.433 1.00 35.56 O ATOM 50 N ALA 337 -15.424 33.223 59.068 1.00 34.52 N ATOM 51 CA ALA 337 -16.724 33.727 59.396 1.00 34.52 C ATOM 52 CB ALA 337 -17.421 32.905 60.495 1.00 34.52 C ATOM 53 C ALA 337 -16.627 35.141 59.887 1.00 34.52 C ATOM 54 O ALA 337 -17.433 35.990 59.513 1.00 34.52 O ATOM 55 N GLN 338 -15.655 35.426 60.774 1.00137.02 N ATOM 56 CA GLN 338 -15.585 36.749 61.332 1.00137.02 C ATOM 57 CB GLN 338 -14.646 36.827 62.545 1.00137.02 C ATOM 58 CG GLN 338 -15.212 36.164 63.800 1.00137.02 C ATOM 59 CD GLN 338 -16.277 37.097 64.357 1.00137.02 C ATOM 60 OE1 GLN 338 -17.471 36.898 64.134 1.00137.02 O ATOM 61 NE2 GLN 338 -15.833 38.150 65.098 1.00137.02 N ATOM 62 C GLN 338 -15.129 37.802 60.360 1.00137.02 C ATOM 63 O GLN 338 -15.802 38.819 60.193 1.00137.02 O ATOM 64 N CYS 339 -13.959 37.591 59.718 1.00101.91 N ATOM 65 CA CYS 339 -13.347 38.557 58.838 1.00101.91 C ATOM 66 CB CYS 339 -11.927 38.157 58.402 1.00101.91 C ATOM 67 SG CYS 339 -10.815 37.791 59.781 1.00101.91 S ATOM 68 C CYS 339 -14.081 38.680 57.542 1.00101.91 C ATOM 69 O CYS 339 -14.396 39.780 57.096 1.00101.91 O ATOM 70 N GLY 340 -14.376 37.529 56.905 1.00 28.75 N ATOM 71 CA GLY 340 -14.953 37.528 55.592 1.00 28.75 C ATOM 72 C GLY 340 -13.839 37.304 54.608 1.00 28.75 C ATOM 73 O GLY 340 -14.079 37.169 53.410 1.00 28.75 O ATOM 74 N LYS 341 -12.585 37.245 55.104 1.00106.58 N ATOM 75 CA LYS 341 -11.409 37.027 54.301 1.00106.58 C ATOM 76 CB LYS 341 -10.127 37.135 55.148 1.00106.58 C ATOM 77 CG LYS 341 -8.824 36.743 54.442 1.00106.58 C ATOM 78 CD LYS 341 -8.307 37.728 53.390 1.00106.58 C ATOM 79 CE LYS 341 -6.969 37.294 52.784 1.00106.58 C ATOM 80 NZ LYS 341 -6.594 38.190 51.667 1.00106.58 N ATOM 81 C LYS 341 -11.461 35.636 53.737 1.00106.58 C ATOM 82 O LYS 341 -11.980 34.721 54.376 1.00106.58 O ATOM 83 N SER 342 -10.926 35.439 52.508 1.00 57.45 N ATOM 84 CA SER 342 -10.953 34.129 51.904 1.00 57.45 C ATOM 85 CB SER 342 -11.646 34.109 50.532 1.00 57.45 C ATOM 86 OG SER 342 -12.999 34.517 50.676 1.00 57.45 O ATOM 87 C SER 342 -9.542 33.640 51.717 1.00 57.45 C ATOM 88 O SER 342 -8.629 34.423 51.458 1.00 57.45 O ATOM 89 N PHE 343 -9.331 32.309 51.830 1.00135.40 N ATOM 90 CA PHE 343 -8.003 31.760 51.747 1.00135.40 C ATOM 91 CB PHE 343 -7.510 31.185 53.090 1.00135.40 C ATOM 92 CG PHE 343 -7.422 32.281 54.095 1.00135.40 C ATOM 93 CD1 PHE 343 -8.546 32.671 54.785 1.00135.40 C ATOM 94 CD2 PHE 343 -6.228 32.920 54.344 1.00135.40 C ATOM 95 CE1 PHE 343 -8.477 33.679 55.715 1.00135.40 C ATOM 96 CE2 PHE 343 -6.153 33.929 55.275 1.00135.40 C ATOM 97 CZ PHE 343 -7.281 34.309 55.962 1.00135.40 C ATOM 98 C PHE 343 -8.004 30.601 50.799 1.00135.40 C ATOM 99 O PHE 343 -9.006 29.906 50.638 1.00135.40 O ATOM 100 N THR 344 -6.854 30.388 50.129 1.00101.48 N ATOM 101 CA THR 344 -6.673 29.285 49.231 1.00101.48 C ATOM 102 CB THR 344 -5.417 29.391 48.426 1.00101.48 C ATOM 103 OG1 THR 344 -5.383 28.360 47.453 1.00101.48 O ATOM 104 CG2 THR 344 -4.206 29.289 49.367 1.00101.48 C ATOM 105 C THR 344 -6.611 28.012 50.021 1.00101.48 C ATOM 106 O THR 344 -7.126 26.977 49.597 1.00101.48 O ATOM 107 N THR 345 -5.967 28.049 51.202 1.00102.88 N ATOM 108 CA THR 345 -5.832 26.829 51.938 1.00102.88 C ATOM 109 CB THR 345 -4.416 26.340 52.021 1.00102.88 C ATOM 110 OG1 THR 345 -3.609 27.275 52.722 1.00102.88 O ATOM 111 CG2 THR 345 -3.886 26.141 50.590 1.00102.88 C ATOM 112 C THR 345 -6.338 27.017 53.331 1.00102.88 C ATOM 113 O THR 345 -6.380 28.129 53.857 1.00102.88 O ATOM 114 N LYS 346 -6.746 25.892 53.950 1.00 66.87 N ATOM 115 CA LYS 346 -7.300 25.826 55.271 1.00 66.87 C ATOM 116 CB LYS 346 -7.813 24.417 55.617 1.00 66.87 C ATOM 117 CG LYS 346 -8.470 24.340 56.994 1.00 66.87 C ATOM 118 CD LYS 346 -9.311 23.081 57.215 1.00 66.87 C ATOM 119 CE LYS 346 -10.683 23.149 56.550 1.00 66.87 C ATOM 120 NZ LYS 346 -11.465 21.941 56.892 1.00 66.87 N ATOM 121 C LYS 346 -6.281 26.222 56.298 1.00 66.87 C ATOM 122 O LYS 346 -6.612 26.915 57.259 1.00 66.87 O ATOM 123 N THR 347 -5.009 25.813 56.121 1.00 95.89 N ATOM 124 CA THR 347 -4.018 26.109 57.117 1.00 95.89 C ATOM 125 CB THR 347 -2.631 25.669 56.734 1.00 95.89 C ATOM 126 OG1 THR 347 -2.198 26.373 55.580 1.00 95.89 O ATOM 127 CG2 THR 347 -2.634 24.159 56.448 1.00 95.89 C ATOM 128 C THR 347 -3.950 27.591 57.287 1.00 95.89 C ATOM 129 O THR 347 -3.965 28.098 58.409 1.00 95.89 O ATOM 130 N SER 348 -3.899 28.335 56.169 1.00 65.71 N ATOM 131 CA SER 348 -3.787 29.757 56.280 1.00 65.71 C ATOM 132 CB SER 348 -3.677 30.465 54.917 1.00 65.71 C ATOM 133 OG SER 348 -4.888 30.325 54.189 1.00 65.71 O ATOM 134 C SER 348 -5.016 30.271 56.955 1.00 65.71 C ATOM 135 O SER 348 -4.946 31.206 57.750 1.00 65.71 O ATOM 136 N LEU 349 -6.178 29.655 56.664 1.00101.12 N ATOM 137 CA LEU 349 -7.413 30.123 57.218 1.00101.12 C ATOM 138 CB LEU 349 -8.620 29.286 56.741 1.00101.12 C ATOM 139 CG LEU 349 -10.020 29.897 56.993 1.00101.12 C ATOM 140 CD1 LEU 349 -11.122 28.870 56.683 1.00101.12 C ATOM 141 CD2 LEU 349 -10.178 30.528 58.386 1.00101.12 C ATOM 142 C LEU 349 -7.315 29.981 58.705 1.00101.12 C ATOM 143 O LEU 349 -7.625 30.916 59.443 1.00101.12 O ATOM 144 N LYS 350 -6.849 28.813 59.190 1.00 75.65 N ATOM 145 CA LYS 350 -6.802 28.605 60.609 1.00 75.65 C ATOM 146 CB LYS 350 -6.617 27.129 61.010 1.00 75.65 C ATOM 147 CG LYS 350 -6.877 26.857 62.495 1.00 75.65 C ATOM 148 CD LYS 350 -7.147 25.383 62.821 1.00 75.65 C ATOM 149 CE LYS 350 -7.203 25.078 64.319 1.00 75.65 C ATOM 150 NZ LYS 350 -5.832 24.950 64.858 1.00 75.65 N ATOM 151 C LYS 350 -5.666 29.424 61.207 1.00 75.65 C ATOM 152 O LYS 350 -5.737 30.680 61.132 1.00 75.65 O ATOM 153 OXT LYS 350 -4.716 28.807 61.759 1.00 75.65 O