EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:01:33 REMARK 6 MODELLER OBJECTIVE FUNCTION: 73.3128 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 42.308 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1612.79175 REMARK 6 GA341 score: 0.96117 REMARK 6 Normalized DOPE score: 0.26619 REMARK 6 TEMPLATE: 2i13A02 78:A - 103:A MODELS 1: - 26: AT 42.3% ATOM 1 N PHE 66 -23.538 32.209 50.917 1.00 41.01 N ATOM 2 CA PHE 66 -23.099 31.081 51.768 1.00 41.01 C ATOM 3 CB PHE 66 -21.848 30.430 51.157 1.00 41.01 C ATOM 4 CG PHE 66 -22.326 29.827 49.878 1.00 41.01 C ATOM 5 CD1 PHE 66 -22.896 28.575 49.881 1.00 41.01 C ATOM 6 CD2 PHE 66 -22.223 30.510 48.686 1.00 41.01 C ATOM 7 CE1 PHE 66 -23.347 28.005 48.713 1.00 41.01 C ATOM 8 CE2 PHE 66 -22.672 29.948 47.513 1.00 41.01 C ATOM 9 CZ PHE 66 -23.232 28.694 47.528 1.00 41.01 C ATOM 10 C PHE 66 -22.837 31.562 53.156 1.00 41.01 C ATOM 11 O PHE 66 -22.067 32.498 53.365 1.00 41.01 O ATOM 12 N THR 67 -23.487 30.923 54.152 1.00 34.10 N ATOM 13 CA THR 67 -23.363 31.400 55.496 1.00 34.10 C ATOM 14 CB THR 67 -24.683 31.687 56.152 1.00 34.10 C ATOM 15 OG1 THR 67 -25.396 32.669 55.415 1.00 34.10 O ATOM 16 CG2 THR 67 -24.439 32.178 57.590 1.00 34.10 C ATOM 17 C THR 67 -22.684 30.371 56.339 1.00 34.10 C ATOM 18 O THR 67 -22.825 29.168 56.125 1.00 34.10 O ATOM 19 N CYS 68 -21.895 30.856 57.318 1.00 36.40 N ATOM 20 CA CYS 68 -21.195 30.017 58.246 1.00 36.40 C ATOM 21 CB CYS 68 -20.012 30.727 58.928 1.00 36.40 C ATOM 22 SG CYS 68 -19.130 29.656 60.103 1.00 36.40 S ATOM 23 C CYS 68 -22.154 29.612 59.312 1.00 36.40 C ATOM 24 O CYS 68 -22.923 30.428 59.815 1.00 36.40 O ATOM 25 N THR 69 -22.132 28.325 59.690 1.00102.11 N ATOM 26 CA THR 69 -23.044 27.857 60.686 1.00102.11 C ATOM 27 CB THR 69 -23.010 26.366 60.853 1.00102.11 C ATOM 28 OG1 THR 69 -24.053 25.963 61.728 1.00102.11 O ATOM 29 CG2 THR 69 -21.643 25.931 61.412 1.00102.11 C ATOM 30 C THR 69 -22.728 28.491 62.007 1.00102.11 C ATOM 31 O THR 69 -23.635 28.884 62.742 1.00102.11 O ATOM 32 N GLN 70 -21.430 28.587 62.360 1.00144.46 N ATOM 33 CA GLN 70 -21.092 29.105 63.655 1.00144.46 C ATOM 34 CB GLN 70 -19.595 28.961 63.967 1.00144.46 C ATOM 35 CG GLN 70 -19.184 27.519 64.261 1.00144.46 C ATOM 36 CD GLN 70 -19.738 27.168 65.631 1.00144.46 C ATOM 37 OE1 GLN 70 -19.240 27.640 66.652 1.00144.46 O ATOM 38 NE2 GLN 70 -20.804 26.324 65.658 1.00144.46 N ATOM 39 C GLN 70 -21.422 30.559 63.807 1.00144.46 C ATOM 40 O GLN 70 -22.170 30.934 64.708 1.00144.46 O ATOM 41 N CYS 71 -20.852 31.415 62.935 1.00109.25 N ATOM 42 CA CYS 71 -21.042 32.841 63.029 1.00109.25 C ATOM 43 CB CYS 71 -20.123 33.636 62.095 1.00109.25 C ATOM 44 SG CYS 71 -18.370 33.322 62.386 1.00109.25 S ATOM 45 C CYS 71 -22.396 33.248 62.573 1.00109.25 C ATOM 46 O CYS 71 -23.086 34.032 63.223 1.00109.25 O ATOM 47 N GLY 72 -22.802 32.701 61.414 1.00 28.68 N ATOM 48 CA GLY 72 -23.996 33.153 60.774 1.00 28.68 C ATOM 49 C GLY 72 -23.561 34.201 59.788 1.00 28.68 C ATOM 50 O GLY 72 -24.384 34.821 59.117 1.00 28.68 O ATOM 51 N LYS 73 -22.231 34.417 59.682 1.00 49.44 N ATOM 52 CA LYS 73 -21.674 35.388 58.782 1.00 49.44 C ATOM 53 CB LYS 73 -20.206 35.713 59.100 1.00 49.44 C ATOM 54 CG LYS 73 -19.657 36.938 58.373 1.00 49.44 C ATOM 55 CD LYS 73 -18.322 37.412 58.945 1.00 49.44 C ATOM 56 CE LYS 73 -17.699 38.580 58.177 1.00 49.44 C ATOM 57 NZ LYS 73 -16.322 38.828 58.667 1.00 49.44 N ATOM 58 C LYS 73 -21.762 34.839 57.391 1.00 49.44 C ATOM 59 O LYS 73 -21.580 33.643 57.171 1.00 49.44 O ATOM 60 N SER 74 -22.032 35.714 56.401 1.00 80.63 N ATOM 61 CA SER 74 -22.227 35.227 55.063 1.00 80.63 C ATOM 62 CB SER 74 -23.589 35.631 54.481 1.00 80.63 C ATOM 63 OG SER 74 -23.701 37.045 54.475 1.00 80.63 O ATOM 64 C SER 74 -21.156 35.753 54.159 1.00 80.63 C ATOM 65 O SER 74 -20.610 36.834 54.374 1.00 80.63 O ATOM 66 N LEU 75 -20.815 34.966 53.119 1.00 89.02 N ATOM 67 CA LEU 75 -19.787 35.356 52.197 1.00 89.02 C ATOM 68 CB LEU 75 -18.511 34.498 52.279 1.00 89.02 C ATOM 69 CG LEU 75 -17.667 34.735 53.548 1.00 89.02 C ATOM 70 CD1 LEU 75 -17.051 36.144 53.557 1.00 89.02 C ATOM 71 CD2 LEU 75 -18.461 34.421 54.828 1.00 89.02 C ATOM 72 C LEU 75 -20.295 35.249 50.798 1.00 89.02 C ATOM 73 O LEU 75 -21.234 34.511 50.502 1.00 89.02 O ATOM 74 N ALA 76 -19.685 36.042 49.902 1.00 31.63 N ATOM 75 CA ALA 76 -20.022 36.038 48.512 1.00 31.63 C ATOM 76 CB ALA 76 -19.276 37.127 47.728 1.00 31.63 C ATOM 77 C ALA 76 -19.650 34.718 47.911 1.00 31.63 C ATOM 78 O ALA 76 -20.406 34.165 47.112 1.00 31.63 O ATOM 79 N SER 77 -18.476 34.167 48.295 1.00 70.70 N ATOM 80 CA SER 77 -18.004 32.988 47.623 1.00 70.70 C ATOM 81 CB SER 77 -16.646 33.192 46.928 1.00 70.70 C ATOM 82 OG SER 77 -16.252 31.987 46.287 1.00 70.70 O ATOM 83 C SER 77 -17.827 31.844 48.573 1.00 70.70 C ATOM 84 O SER 77 -17.565 32.023 49.761 1.00 70.70 O ATOM 85 N LYS 78 -17.974 30.616 48.033 1.00 90.65 N ATOM 86 CA LYS 78 -17.849 29.400 48.787 1.00 90.65 C ATOM 87 CB LYS 78 -18.078 28.134 47.946 1.00 90.65 C ATOM 88 CG LYS 78 -19.528 27.841 47.580 1.00 90.65 C ATOM 89 CD LYS 78 -19.625 26.785 46.479 1.00 90.65 C ATOM 90 CE LYS 78 -21.010 26.164 46.320 1.00 90.65 C ATOM 91 NZ LYS 78 -21.222 25.134 47.366 1.00 90.65 N ATOM 92 C LYS 78 -16.451 29.269 49.310 1.00 90.65 C ATOM 93 O LYS 78 -16.251 28.903 50.467 1.00 90.65 O ATOM 94 N SER 79 -15.443 29.559 48.466 1.00 57.89 N ATOM 95 CA SER 79 -14.076 29.360 48.858 1.00 57.89 C ATOM 96 CB SER 79 -13.078 29.707 47.740 1.00 57.89 C ATOM 97 OG SER 79 -11.746 29.478 48.179 1.00 57.89 O ATOM 98 C SER 79 -13.769 30.236 50.024 1.00 57.89 C ATOM 99 O SER 79 -13.032 29.848 50.930 1.00 57.89 O ATOM 100 N LYS 80 -14.333 31.455 50.026 1.00 77.77 N ATOM 101 CA LYS 80 -14.090 32.382 51.096 1.00 77.77 C ATOM 102 CB LYS 80 -14.783 33.740 50.889 1.00 77.77 C ATOM 103 CG LYS 80 -14.130 34.607 49.815 1.00 77.77 C ATOM 104 CD LYS 80 -12.706 35.007 50.186 1.00 77.77 C ATOM 105 CE LYS 80 -11.987 35.831 49.119 1.00 77.77 C ATOM 106 NZ LYS 80 -10.624 36.172 49.588 1.00 77.77 N ATOM 107 C LYS 80 -14.646 31.822 52.366 1.00 77.77 C ATOM 108 O LYS 80 -14.014 31.902 53.418 1.00 77.77 O ATOM 109 N LEU 81 -15.852 31.230 52.297 1.00 96.73 N ATOM 110 CA LEU 81 -16.488 30.712 53.474 1.00 96.73 C ATOM 111 CB LEU 81 -17.889 30.133 53.179 1.00 96.73 C ATOM 112 CG LEU 81 -18.701 29.734 54.432 1.00 96.73 C ATOM 113 CD1 LEU 81 -18.105 28.524 55.164 1.00 96.73 C ATOM 114 CD2 LEU 81 -18.893 30.944 55.357 1.00 96.73 C ATOM 115 C LEU 81 -15.623 29.613 54.007 1.00 96.73 C ATOM 116 O LEU 81 -15.445 29.475 55.217 1.00 96.73 O ATOM 117 N LYS 82 -15.044 28.808 53.099 1.00 71.13 N ATOM 118 CA LYS 82 -14.254 27.680 53.498 1.00 71.13 C ATOM 119 CB LYS 82 -13.704 26.888 52.299 1.00 71.13 C ATOM 120 CG LYS 82 -12.988 25.598 52.703 1.00 71.13 C ATOM 121 CD LYS 82 -12.801 24.614 51.548 1.00 71.13 C ATOM 122 CE LYS 82 -12.190 23.282 51.982 1.00 71.13 C ATOM 123 NZ LYS 82 -12.271 22.298 50.881 1.00 71.13 N ATOM 124 C LYS 82 -13.086 28.133 54.318 1.00 71.13 C ATOM 125 O LYS 82 -12.767 27.520 55.336 1.00 71.13 O ATOM 126 N ILE 83 -12.412 29.217 53.900 1.00127.60 N ATOM 127 CA ILE 83 -11.262 29.667 54.628 1.00127.60 C ATOM 128 CB ILE 83 -10.521 30.776 53.925 1.00127.60 C ATOM 129 CG1 ILE 83 -9.088 30.894 54.470 1.00127.60 C ATOM 130 CG2 ILE 83 -11.335 32.076 54.039 1.00127.60 C ATOM 131 CD1 ILE 83 -8.997 31.266 55.948 1.00127.60 C ATOM 132 C ILE 83 -11.717 30.122 55.985 1.00127.60 C ATOM 133 O ILE 83 -11.084 29.844 57.002 1.00127.60 O ATOM 134 N HIS 84 -12.874 30.804 56.025 1.00 50.43 N ATOM 135 CA HIS 84 -13.441 31.364 57.215 1.00 50.43 C ATOM 136 ND1 HIS 84 -15.081 33.976 58.494 1.00 50.43 N ATOM 137 CG HIS 84 -15.424 32.717 58.061 1.00 50.43 C ATOM 138 CB HIS 84 -14.790 32.030 56.895 1.00 50.43 C ATOM 139 NE2 HIS 84 -16.696 33.259 59.842 1.00 50.43 N ATOM 140 CD2 HIS 84 -16.412 32.292 58.894 1.00 50.43 C ATOM 141 CE1 HIS 84 -15.872 34.251 59.561 1.00 50.43 C ATOM 142 C HIS 84 -13.698 30.264 58.197 1.00 50.43 C ATOM 143 O HIS 84 -13.396 30.382 59.383 1.00 50.43 O ATOM 144 N MET 85 -14.235 29.139 57.701 1.00113.37 N ATOM 145 CA MET 85 -14.606 28.017 58.515 1.00113.37 C ATOM 146 CB MET 85 -15.155 26.861 57.666 1.00113.37 C ATOM 147 CG MET 85 -15.479 25.598 58.466 1.00113.37 C ATOM 148 SD MET 85 -16.954 25.708 59.519 1.00113.37 S ATOM 149 CE MET 85 -18.107 25.783 58.118 1.00113.37 C ATOM 150 C MET 85 -13.389 27.501 59.213 1.00113.37 C ATOM 151 O MET 85 -13.457 27.066 60.362 1.00113.37 O ATOM 152 N MET 86 -12.235 27.547 58.531 1.00104.31 N ATOM 153 CA MET 86 -11.021 27.005 59.061 1.00104.31 C ATOM 154 CB MET 86 -9.820 27.145 58.106 1.00104.31 C ATOM 155 CG MET 86 -8.611 26.317 58.546 1.00104.31 C ATOM 156 SD MET 86 -7.090 26.557 57.580 1.00104.31 S ATOM 157 CE MET 86 -6.669 28.154 58.335 1.00104.31 C ATOM 158 C MET 86 -10.665 27.713 60.328 1.00104.31 C ATOM 159 O MET 86 -10.147 27.090 61.252 1.00104.31 O ATOM 160 N ILE 87 -10.929 29.028 60.427 1.00127.56 N ATOM 161 CA ILE 87 -10.509 29.722 61.610 1.00127.56 C ATOM 162 CB ILE 87 -10.766 31.210 61.569 1.00127.56 C ATOM 163 CG1 ILE 87 -12.262 31.580 61.569 1.00127.56 C ATOM 164 CG2 ILE 87 -9.997 31.754 60.355 1.00127.56 C ATOM 165 CD1 ILE 87 -12.904 31.606 62.955 1.00127.56 C ATOM 166 C ILE 87 -11.180 29.135 62.813 1.00127.56 C ATOM 167 O ILE 87 -10.540 28.933 63.843 1.00127.56 O ATOM 168 N HIS 88 -12.488 28.840 62.722 1.00 53.03 N ATOM 169 CA HIS 88 -13.187 28.349 63.870 1.00 53.03 C ATOM 170 ND1 HIS 88 -15.512 30.556 64.229 1.00 53.03 N ATOM 171 CG HIS 88 -15.264 29.587 63.284 1.00 53.03 C ATOM 172 CB HIS 88 -14.695 28.238 63.606 1.00 53.03 C ATOM 173 NE2 HIS 88 -16.044 31.439 62.259 1.00 53.03 N ATOM 174 CD2 HIS 88 -15.597 30.141 62.086 1.00 53.03 C ATOM 175 CE1 HIS 88 -15.975 31.643 63.562 1.00 53.03 C ATOM 176 C HIS 88 -12.640 27.006 64.257 1.00 53.03 C ATOM 177 O HIS 88 -12.339 26.762 65.424 1.00 53.03 O ATOM 178 N THR 89 -12.464 26.103 63.274 1.00 28.95 N ATOM 179 CA THR 89 -11.972 24.778 63.536 1.00 28.95 C ATOM 180 CB THR 89 -11.921 23.922 62.301 1.00 28.95 C ATOM 181 OG1 THR 89 -11.059 24.508 61.335 1.00 28.95 O ATOM 182 CG2 THR 89 -13.347 23.798 61.739 1.00 28.95 C ATOM 183 C THR 89 -10.583 24.893 64.076 1.00 28.95 C ATOM 184 O THR 89 -10.200 24.172 64.996 1.00 28.95 O ATOM 185 N GLY 90 -9.798 25.833 63.524 1.00 11.87 N ATOM 186 CA GLY 90 -8.441 26.003 63.943 1.00 11.87 C ATOM 187 C GLY 90 -7.611 25.161 63.033 1.00 11.87 C ATOM 188 O GLY 90 -6.390 25.088 63.165 1.00 11.87 O ATOM 189 N GLU 91 -8.275 24.497 62.070 1.00 58.27 N ATOM 190 CA GLU 91 -7.577 23.657 61.149 1.00 58.27 C ATOM 191 CB GLU 91 -8.520 22.850 60.240 1.00 58.27 C ATOM 192 CG GLU 91 -9.412 21.872 61.010 1.00 58.27 C ATOM 193 CD GLU 91 -8.532 20.835 61.695 1.00 58.27 C ATOM 194 OE1 GLU 91 -7.763 20.135 60.984 1.00 58.27 O ATOM 195 OE2 GLU 91 -8.620 20.735 62.949 1.00 58.27 O ATOM 196 C GLU 91 -6.720 24.555 60.265 1.00 58.27 C ATOM 197 O GLU 91 -6.739 25.798 60.475 1.00 58.27 O ATOM 198 OXT GLU 91 -6.023 24.003 59.372 1.00 58.27 O