EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:12:25 REMARK 6 MODELLER OBJECTIVE FUNCTION: 82.9826 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 40.000 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1382.09399 REMARK 6 GA341 score: 0.87986 REMARK 6 Normalized DOPE score: -0.88419 REMARK 6 TEMPLATE: 1llmC01 101:C - 125:C MODELS 1: - 25: AT 40.0% ATOM 1 N GLU 147 -3.772 27.226 72.586 1.00 50.38 N ATOM 2 CA GLU 147 -3.220 27.874 73.798 1.00 50.38 C ATOM 3 CB GLU 147 -2.429 26.868 74.642 1.00 50.38 C ATOM 4 CG GLU 147 -3.288 25.774 75.270 1.00 50.38 C ATOM 5 CD GLU 147 -2.358 24.869 76.065 1.00 50.38 C ATOM 6 OE1 GLU 147 -1.477 25.406 76.785 1.00 50.38 O ATOM 7 OE2 GLU 147 -2.518 23.623 75.954 1.00 50.38 O ATOM 8 C GLU 147 -2.279 28.963 73.416 1.00 50.38 C ATOM 9 O GLU 147 -2.175 29.322 72.245 1.00 50.38 O ATOM 10 N LYS 148 -1.594 29.546 74.418 1.00124.04 N ATOM 11 CA LYS 148 -0.642 30.573 74.119 1.00124.04 C ATOM 12 CB LYS 148 -1.231 31.988 74.291 1.00124.04 C ATOM 13 CG LYS 148 -2.107 32.137 75.537 1.00124.04 C ATOM 14 CD LYS 148 -2.603 33.563 75.786 1.00124.04 C ATOM 15 CE LYS 148 -3.725 33.637 76.825 1.00124.04 C ATOM 16 NZ LYS 148 -3.189 33.365 78.179 1.00124.04 N ATOM 17 C LYS 148 0.539 30.384 75.018 1.00124.04 C ATOM 18 O LYS 148 0.567 30.812 76.174 1.00124.04 O ATOM 19 N PRO 149 1.503 29.695 74.481 1.00 78.93 N ATOM 20 CA PRO 149 2.736 29.388 75.157 1.00 78.93 C ATOM 21 CD PRO 149 1.238 28.788 73.378 1.00 78.93 C ATOM 22 CB PRO 149 3.311 28.163 74.445 1.00 78.93 C ATOM 23 CG PRO 149 2.598 28.141 73.083 1.00 78.93 C ATOM 24 C PRO 149 3.745 30.492 75.268 1.00 78.93 C ATOM 25 O PRO 149 4.677 30.332 76.056 1.00 78.93 O ATOM 26 N PHE 150 3.634 31.596 74.504 1.00 66.38 N ATOM 27 CA PHE 150 4.716 32.544 74.559 1.00 66.38 C ATOM 28 CB PHE 150 5.152 33.018 73.162 1.00 66.38 C ATOM 29 CG PHE 150 5.480 31.767 72.421 1.00 66.38 C ATOM 30 CD1 PHE 150 4.493 31.110 71.725 1.00 66.38 C ATOM 31 CD2 PHE 150 6.750 31.238 72.433 1.00 66.38 C ATOM 32 CE1 PHE 150 4.767 29.952 71.039 1.00 66.38 C ATOM 33 CE2 PHE 150 7.030 30.079 71.747 1.00 66.38 C ATOM 34 CZ PHE 150 6.038 29.434 71.050 1.00 66.38 C ATOM 35 C PHE 150 4.279 33.727 75.357 1.00 66.38 C ATOM 36 O PHE 150 3.248 34.329 75.062 1.00 66.38 O ATOM 37 N THR 151 5.082 34.115 76.371 1.00 36.89 N ATOM 38 CA THR 151 4.672 35.178 77.245 1.00 36.89 C ATOM 39 CB THR 151 4.715 34.793 78.698 0.50 36.89 C ATOM 40 OG1 THR 151 3.911 33.647 78.937 1.00 36.89 O ATOM 41 CG2 THR 151 4.196 35.976 79.533 1.00 36.89 C ATOM 42 C THR 151 5.602 36.343 77.103 1.00 36.89 C ATOM 43 O THR 151 6.804 36.188 76.889 1.00 36.89 O ATOM 44 N CYS 152 5.036 37.563 77.217 1.00 40.55 N ATOM 45 CA CYS 152 5.813 38.767 77.192 1.00 40.55 C ATOM 46 CB CYS 152 5.013 39.987 76.701 1.00 40.55 C ATOM 47 SG CYS 152 5.984 41.524 76.683 1.00 40.55 S ATOM 48 C CYS 152 6.211 39.018 78.614 1.00 40.55 C ATOM 49 O CYS 152 5.384 38.971 79.522 1.00 40.55 O ATOM 50 N THR 153 7.511 39.269 78.843 1.00 38.40 N ATOM 51 CA THR 153 8.000 39.439 80.180 1.00 38.40 C ATOM 52 CB THR 153 9.497 39.558 80.242 1.00 38.40 C ATOM 53 OG1 THR 153 10.108 38.395 79.701 1.00 38.40 O ATOM 54 CG2 THR 153 9.920 39.733 81.712 1.00 38.40 C ATOM 55 C THR 153 7.423 40.667 80.813 1.00 38.40 C ATOM 56 O THR 153 7.012 40.633 81.973 1.00 38.40 O ATOM 57 N GLN 154 7.405 41.805 80.091 1.00108.38 N ATOM 58 CA GLN 154 6.910 42.988 80.735 1.00108.38 C ATOM 59 CB GLN 154 7.139 44.271 79.923 1.00108.38 C ATOM 60 CG GLN 154 6.582 45.510 80.630 1.00108.38 C ATOM 61 CD GLN 154 6.888 46.716 79.763 1.00108.38 C ATOM 62 OE1 GLN 154 7.790 46.673 78.928 1.00108.38 O ATOM 63 NE2 GLN 154 6.126 47.824 79.967 1.00108.38 N ATOM 64 C GLN 154 5.436 42.929 80.991 1.00108.38 C ATOM 65 O GLN 154 4.985 43.086 82.124 1.00108.38 O ATOM 66 N CYS 155 4.657 42.697 79.919 1.00 90.99 N ATOM 67 CA CYS 155 3.220 42.710 79.951 1.00 90.99 C ATOM 68 CB CYS 155 2.643 42.670 78.526 1.00 90.99 C ATOM 69 SG CYS 155 0.834 42.711 78.486 1.00 90.99 S ATOM 70 C CYS 155 2.687 41.534 80.706 1.00 90.99 C ATOM 71 O CYS 155 1.812 41.676 81.558 1.00 90.99 O ATOM 72 N GLY 156 3.225 40.334 80.413 1.00 21.29 N ATOM 73 CA GLY 156 2.780 39.137 81.060 1.00 21.29 C ATOM 74 C GLY 156 1.723 38.486 80.218 1.00 21.29 C ATOM 75 O GLY 156 1.244 37.399 80.542 1.00 21.29 O ATOM 76 N LYS 157 1.335 39.130 79.102 1.00 69.92 N ATOM 77 CA LYS 157 0.329 38.556 78.259 1.00 69.92 C ATOM 78 CB LYS 157 -0.219 39.523 77.191 1.00 69.92 C ATOM 79 CG LYS 157 -1.276 38.875 76.298 1.00 69.92 C ATOM 80 CD LYS 157 -2.038 39.859 75.411 1.00 69.92 C ATOM 81 CE LYS 157 -2.961 39.159 74.416 1.00 69.92 C ATOM 82 NZ LYS 157 -3.785 38.158 75.128 1.00 69.92 N ATOM 83 C LYS 157 0.931 37.380 77.554 1.00 69.92 C ATOM 84 O LYS 157 2.143 37.318 77.340 1.00 69.92 O ATOM 85 N SER 158 0.083 36.394 77.195 1.00 37.22 N ATOM 86 CA SER 158 0.558 35.213 76.530 1.00 37.22 C ATOM 87 CB SER 158 0.059 33.911 77.175 1.00 37.22 C ATOM 88 OG SER 158 0.526 33.825 78.512 1.00 37.22 O ATOM 89 C SER 158 0.031 35.246 75.132 1.00 37.22 C ATOM 90 O SER 158 -1.039 35.795 74.875 1.00 37.22 O ATOM 91 N PHE 159 0.791 34.652 74.188 1.00 51.46 N ATOM 92 CA PHE 159 0.412 34.679 72.805 1.00 51.46 C ATOM 93 CB PHE 159 1.374 35.523 71.952 1.00 51.46 C ATOM 94 CG PHE 159 1.272 36.926 72.436 1.00 51.46 C ATOM 95 CD1 PHE 159 1.997 37.349 73.526 1.00 51.46 C ATOM 96 CD2 PHE 159 0.453 37.822 71.790 1.00 51.46 C ATOM 97 CE1 PHE 159 1.899 38.646 73.971 1.00 51.46 C ATOM 98 CE2 PHE 159 0.351 39.121 72.231 1.00 51.46 C ATOM 99 CZ PHE 159 1.077 39.536 73.322 1.00 51.46 C ATOM 100 C PHE 159 0.465 33.288 72.254 1.00 51.46 C ATOM 101 O PHE 159 1.259 32.459 72.694 1.00 51.46 O ATOM 102 N ASN 160 -0.414 33.010 71.270 1.00101.48 N ATOM 103 CA ASN 160 -0.502 31.742 70.604 1.00101.48 C ATOM 104 CB ASN 160 -1.763 31.624 69.728 1.00101.48 C ATOM 105 CG ASN 160 -2.016 30.147 69.433 1.00101.48 C ATOM 106 OD1 ASN 160 -1.136 29.421 68.974 1.00101.48 O ATOM 107 ND2 ASN 160 -3.264 29.682 69.708 1.00101.48 N ATOM 108 C ASN 160 0.706 31.541 69.731 1.00101.48 C ATOM 109 O ASN 160 1.159 30.411 69.549 1.00101.48 O ATOM 110 N GLN 161 1.250 32.624 69.136 1.00 77.55 N ATOM 111 CA GLN 161 2.367 32.419 68.252 1.00 77.55 C ATOM 112 CB GLN 161 2.101 32.783 66.780 1.00 77.55 C ATOM 113 CG GLN 161 1.002 31.959 66.109 1.00 77.55 C ATOM 114 CD GLN 161 -0.307 32.696 66.329 1.00 77.55 C ATOM 115 OE1 GLN 161 -0.789 32.819 67.453 1.00 77.55 O ATOM 116 NE2 GLN 161 -0.893 33.217 65.219 1.00 77.55 N ATOM 117 C GLN 161 3.537 33.248 68.679 1.00 77.55 C ATOM 118 O GLN 161 3.398 34.352 69.202 1.00 77.55 O ATOM 119 N SER 162 4.745 32.701 68.438 1.00 74.92 N ATOM 120 CA SER 162 5.996 33.320 68.769 1.00 74.92 C ATOM 121 CB SER 162 7.201 32.432 68.419 1.00 74.92 C ATOM 122 OG SER 162 7.155 31.219 69.152 1.00 74.92 O ATOM 123 C SER 162 6.157 34.559 67.951 1.00 74.92 C ATOM 124 O SER 162 6.678 35.564 68.431 1.00 74.92 O ATOM 125 N SER 163 5.705 34.510 66.685 1.00 31.23 N ATOM 126 CA SER 163 5.863 35.621 65.793 1.00 31.23 C ATOM 127 CB SER 163 5.281 35.343 64.394 1.00 31.23 C ATOM 128 OG SER 163 3.869 35.214 64.475 1.00 31.23 O ATOM 129 C SER 163 5.124 36.791 66.357 1.00 31.23 C ATOM 130 O SER 163 5.629 37.912 66.355 1.00 31.23 O ATOM 131 N HIS 164 3.901 36.552 66.864 1.00 48.91 N ATOM 132 CA HIS 164 3.109 37.613 67.412 1.00 48.91 C ATOM 133 ND1 HIS 164 0.740 37.817 65.452 1.00 48.91 N ATOM 134 CG HIS 164 0.865 36.929 66.498 1.00 48.91 C ATOM 135 CB HIS 164 1.662 37.212 67.737 1.00 48.91 C ATOM 136 NE2 HIS 164 -0.443 36.018 64.900 1.00 48.91 N ATOM 137 CD2 HIS 164 0.135 35.837 66.144 1.00 48.91 C ATOM 138 CE1 HIS 164 -0.051 37.222 64.525 1.00 48.91 C ATOM 139 C HIS 164 3.763 38.126 68.654 1.00 48.91 C ATOM 140 O HIS 164 3.674 39.314 68.961 1.00 48.91 O ATOM 141 N LEU 165 4.434 37.239 69.410 1.00 43.12 N ATOM 142 CA LEU 165 5.108 37.664 70.602 1.00 43.12 C ATOM 143 CB LEU 165 5.860 36.510 71.291 0.50 43.12 C ATOM 144 CG LEU 165 6.662 36.926 72.541 0.50 43.12 C ATOM 145 CD1 LEU 165 5.737 37.420 73.667 0.50 43.12 C ATOM 146 CD2 LEU 165 7.617 35.805 72.988 0.50 43.12 C ATOM 147 C LEU 165 6.133 38.682 70.207 1.00 43.12 C ATOM 148 O LEU 165 6.289 39.706 70.871 1.00 43.12 O ATOM 149 N ASN 166 6.853 38.432 69.098 1.00 38.64 N ATOM 150 CA ASN 166 7.896 39.328 68.683 1.00 38.64 C ATOM 151 CB ASN 166 8.627 38.855 67.413 1.00 38.64 C ATOM 152 CG ASN 166 9.460 37.622 67.741 1.00 38.64 C ATOM 153 OD1 ASN 166 9.584 37.221 68.897 1.00 38.64 O ATOM 154 ND2 ASN 166 10.068 37.009 66.691 1.00 38.64 N ATOM 155 C ASN 166 7.324 40.681 68.373 1.00 38.64 C ATOM 156 O ASN 166 7.842 41.698 68.833 1.00 38.64 O ATOM 157 N SER 167 6.221 40.726 67.601 1.00 29.31 N ATOM 158 CA SER 167 5.641 41.978 67.193 1.00 29.31 C ATOM 159 CB SER 167 4.451 41.804 66.229 1.00 29.31 C ATOM 160 OG SER 167 3.374 41.152 66.886 1.00 29.31 O ATOM 161 C SER 167 5.139 42.712 68.397 1.00 29.31 C ATOM 162 O SER 167 5.317 43.923 68.517 1.00 29.31 O ATOM 163 N HIS 168 4.530 41.980 69.346 1.00 49.30 N ATOM 164 CA HIS 168 3.940 42.585 70.506 1.00 49.30 C ATOM 165 ND1 HIS 168 1.626 42.885 72.831 1.00 49.30 N ATOM 166 CG HIS 168 2.772 42.126 72.735 1.00 49.30 C ATOM 167 CB HIS 168 3.305 41.544 71.454 1.00 49.30 C ATOM 168 NE2 HIS 168 2.473 42.757 74.883 1.00 49.30 N ATOM 169 CD2 HIS 168 3.274 42.057 73.998 1.00 49.30 C ATOM 170 CE1 HIS 168 1.496 43.236 74.135 1.00 49.30 C ATOM 171 C HIS 168 4.983 43.311 71.289 1.00 49.30 C ATOM 172 O HIS 168 4.772 44.444 71.718 1.00 49.30 O ATOM 173 N LYS 169 6.156 42.684 71.471 1.00159.26 N ATOM 174 CA LYS 169 7.164 43.265 72.305 1.00159.26 C ATOM 175 CB LYS 169 8.430 42.395 72.391 1.00159.26 C ATOM 176 CG LYS 169 9.302 42.700 73.613 1.00159.26 C ATOM 177 CD LYS 169 9.743 44.161 73.712 1.00159.26 C ATOM 178 CE LYS 169 10.860 44.535 72.736 1.00159.26 C ATOM 179 NZ LYS 169 12.115 43.860 73.131 1.00159.26 N ATOM 180 C LYS 169 7.567 44.591 71.739 1.00159.26 C ATOM 181 O LYS 169 7.735 45.565 72.472 1.00159.26 O ATOM 182 N LYS 170 7.691 44.674 70.404 1.00 30.10 N ATOM 183 CA LYS 170 8.181 45.866 69.778 1.00 30.10 C ATOM 184 CB LYS 170 8.235 45.730 68.251 1.00 30.10 C ATOM 185 CG LYS 170 9.176 44.617 67.799 1.00 30.10 C ATOM 186 CD LYS 170 9.024 44.250 66.325 1.00 30.10 C ATOM 187 CE LYS 170 9.989 43.149 65.892 1.00 30.10 C ATOM 188 NZ LYS 170 9.753 42.794 64.475 1.00 30.10 N ATOM 189 C LYS 170 7.282 47.013 70.117 1.00 30.10 C ATOM 190 O LYS 170 7.753 48.107 70.423 1.00 30.10 O ATOM 191 N ILE 171 5.953 46.805 70.088 1.00 76.06 N ATOM 192 CA ILE 171 5.095 47.910 70.398 1.00 76.06 C ATOM 193 CB ILE 171 3.687 47.747 69.897 1.00 76.06 C ATOM 194 CG1 ILE 171 3.006 46.532 70.546 1.00 76.06 C ATOM 195 CG2 ILE 171 3.736 47.689 68.361 1.00 76.06 C ATOM 196 CD1 ILE 171 1.495 46.491 70.314 1.00 76.06 C ATOM 197 C ILE 171 5.048 48.092 71.908 1.00 76.06 C ATOM 198 O ILE 171 3.925 48.290 72.447 1.00 76.06 O ATOM 199 OXT ILE 171 6.135 48.050 72.540 1.00 76.06 O