EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:14:10 REMARK 6 MODELLER OBJECTIVE FUNCTION: 90.5174 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 42.857 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1955.02966 REMARK 6 GA341 score: 0.90407 REMARK 6 Normalized DOPE score: -0.42488 REMARK 6 TEMPLATE: 1llmC01 101:C - 128:C MODELS 1: - 28: AT 42.9% ATOM 1 N GLU 398 -10.452 49.927 81.065 1.00 48.24 N ATOM 2 CA GLU 398 -9.013 50.221 81.253 1.00 48.24 C ATOM 3 CB GLU 398 -8.436 49.338 82.373 1.00 48.24 C ATOM 4 CG GLU 398 -9.038 49.651 83.745 1.00 48.24 C ATOM 5 CD GLU 398 -8.420 48.726 84.784 1.00 48.24 C ATOM 6 OE1 GLU 398 -7.549 47.896 84.409 1.00 48.24 O ATOM 7 OE2 GLU 398 -8.818 48.840 85.974 1.00 48.24 O ATOM 8 C GLU 398 -8.295 49.918 79.983 1.00 48.24 C ATOM 9 O GLU 398 -8.917 49.762 78.934 1.00 48.24 O ATOM 10 N LYS 399 -6.952 49.858 80.036 1.00 78.42 N ATOM 11 CA LYS 399 -6.229 49.532 78.844 1.00 78.42 C ATOM 12 CB LYS 399 -5.206 50.617 78.480 1.00 78.42 C ATOM 13 CG LYS 399 -5.885 51.963 78.213 1.00 78.42 C ATOM 14 CD LYS 399 -4.921 53.148 78.193 1.00 78.42 C ATOM 15 CE LYS 399 -5.627 54.505 78.220 1.00 78.42 C ATOM 16 NZ LYS 399 -6.040 54.832 79.604 1.00 78.42 N ATOM 17 C LYS 399 -5.513 48.249 79.127 1.00 78.42 C ATOM 18 O LYS 399 -4.391 48.217 79.629 1.00 78.42 O ATOM 19 N PRO 400 -6.201 47.186 78.818 1.00 81.96 N ATOM 20 CA PRO 400 -5.738 45.845 79.051 1.00 81.96 C ATOM 21 CD PRO 400 -7.642 47.247 78.652 1.00 81.96 C ATOM 22 CB PRO 400 -6.985 44.955 78.997 1.00 81.96 C ATOM 23 CG PRO 400 -8.045 45.812 78.285 1.00 81.96 C ATOM 24 C PRO 400 -4.649 45.344 78.156 1.00 81.96 C ATOM 25 O PRO 400 -4.020 44.352 78.517 1.00 81.96 O ATOM 26 N PHE 401 -4.406 45.963 76.987 1.00 69.38 N ATOM 27 CA PHE 401 -3.438 45.344 76.129 1.00 69.38 C ATOM 28 CB PHE 401 -3.953 45.143 74.699 1.00 69.38 C ATOM 29 CG PHE 401 -5.012 44.102 74.820 1.00 69.38 C ATOM 30 CD1 PHE 401 -6.301 44.443 75.165 1.00 69.38 C ATOM 31 CD2 PHE 401 -4.706 42.778 74.607 1.00 69.38 C ATOM 32 CE1 PHE 401 -7.272 43.475 75.279 1.00 69.38 C ATOM 33 CE2 PHE 401 -5.671 41.806 74.719 1.00 69.38 C ATOM 34 CZ PHE 401 -6.956 42.154 75.060 1.00 69.38 C ATOM 35 C PHE 401 -2.184 46.148 76.093 1.00 69.38 C ATOM 36 O PHE 401 -2.191 47.328 75.747 1.00 69.38 O ATOM 37 N ILE 402 -1.054 45.489 76.416 1.00 88.86 N ATOM 38 CA ILE 402 0.195 46.180 76.515 1.00 88.86 C ATOM 39 CB ILE 402 0.833 46.045 77.869 0.50 88.86 C ATOM 40 CG1 ILE 402 2.047 46.979 78.011 1.00 88.86 C ATOM 41 CG2 ILE 402 1.147 44.559 78.100 1.00 88.86 C ATOM 42 CD1 ILE 402 2.548 47.095 79.451 1.00 88.86 C ATOM 43 C ILE 402 1.163 45.643 75.512 1.00 88.86 C ATOM 44 O ILE 402 1.210 44.446 75.229 1.00 88.86 O ATOM 45 N CYS 403 1.956 46.567 74.933 1.00 43.49 N ATOM 46 CA CYS 403 2.986 46.239 73.994 1.00 43.49 C ATOM 47 CB CYS 403 3.396 47.424 73.100 1.00 43.49 C ATOM 48 SG CYS 403 4.811 47.030 72.027 1.00 43.49 S ATOM 49 C CYS 403 4.186 45.865 74.799 1.00 43.49 C ATOM 50 O CYS 403 4.575 46.578 75.723 1.00 43.49 O ATOM 51 N THR 404 4.798 44.715 74.470 1.00 39.91 N ATOM 52 CA THR 404 5.921 44.217 75.205 1.00 39.91 C ATOM 53 CB THR 404 6.310 42.832 74.782 1.00 39.91 C ATOM 54 OG1 THR 404 5.214 41.945 74.962 1.00 39.91 O ATOM 55 CG2 THR 404 7.505 42.374 75.635 1.00 39.91 C ATOM 56 C THR 404 7.113 45.110 75.037 1.00 39.91 C ATOM 57 O THR 404 7.852 45.331 75.996 1.00 39.91 O ATOM 58 N GLN 405 7.379 45.605 73.809 1.00115.87 N ATOM 59 CA GLN 405 8.563 46.407 73.655 1.00115.87 C ATOM 60 CB GLN 405 8.906 46.715 72.188 1.00115.87 C ATOM 61 CG GLN 405 10.101 47.663 72.043 1.00115.87 C ATOM 62 CD GLN 405 10.408 47.812 70.561 1.00115.87 C ATOM 63 OE1 GLN 405 9.780 47.171 69.721 1.00115.87 O ATOM 64 NE2 GLN 405 11.403 48.676 70.223 1.00115.87 N ATOM 65 C GLN 405 8.446 47.734 74.337 1.00115.87 C ATOM 66 O GLN 405 9.249 48.073 75.206 1.00115.87 O ATOM 67 N CYS 406 7.423 48.511 73.940 1.00 99.18 N ATOM 68 CA CYS 406 7.174 49.849 74.401 1.00 99.18 C ATOM 69 CB CYS 406 6.109 50.517 73.514 1.00 99.18 C ATOM 70 SG CYS 406 5.709 52.213 74.003 1.00 99.18 S ATOM 71 C CYS 406 6.684 49.849 75.820 1.00 99.18 C ATOM 72 O CYS 406 7.137 50.637 76.646 1.00 99.18 O ATOM 73 N GLY 407 5.742 48.940 76.141 1.00 19.91 N ATOM 74 CA GLY 407 5.192 48.886 77.462 1.00 19.91 C ATOM 75 C GLY 407 3.966 49.748 77.505 1.00 19.91 C ATOM 76 O GLY 407 3.343 49.898 78.554 1.00 19.91 O ATOM 77 N LYS 408 3.582 50.340 76.356 1.00 97.47 N ATOM 78 CA LYS 408 2.419 51.181 76.334 1.00 97.47 C ATOM 79 CB LYS 408 2.293 52.027 75.055 1.00 97.47 C ATOM 80 CG LYS 408 1.217 53.110 75.146 1.00 97.47 C ATOM 81 CD LYS 408 1.199 54.064 73.950 1.00 97.47 C ATOM 82 CE LYS 408 2.590 54.444 73.444 1.00 97.47 C ATOM 83 NZ LYS 408 3.140 53.351 72.611 1.00 97.47 N ATOM 84 C LYS 408 1.213 50.298 76.402 1.00 97.47 C ATOM 85 O LYS 408 1.228 49.177 75.898 1.00 97.47 O ATOM 86 N SER 409 0.127 50.788 77.040 1.00 36.92 N ATOM 87 CA SER 409 -1.068 49.997 77.151 1.00 36.92 C ATOM 88 CB SER 409 -1.625 49.918 78.585 1.00 36.92 C ATOM 89 OG SER 409 -0.688 49.261 79.426 1.00 36.92 O ATOM 90 C SER 409 -2.102 50.629 76.276 1.00 36.92 C ATOM 91 O SER 409 -2.089 51.837 76.059 1.00 36.92 O ATOM 92 N PHE 410 -3.020 49.809 75.726 1.00 53.82 N ATOM 93 CA PHE 410 -4.003 50.330 74.823 1.00 53.82 C ATOM 94 CB PHE 410 -3.781 49.889 73.366 1.00 53.82 C ATOM 95 CG PHE 410 -2.468 50.428 72.897 1.00 53.82 C ATOM 96 CD1 PHE 410 -1.307 49.723 73.120 1.00 53.82 C ATOM 97 CD2 PHE 410 -2.392 51.631 72.231 1.00 53.82 C ATOM 98 CE1 PHE 410 -0.093 50.206 72.690 1.00 53.82 C ATOM 99 CE2 PHE 410 -1.181 52.120 71.798 1.00 53.82 C ATOM 100 CZ PHE 410 -0.029 51.407 72.026 1.00 53.82 C ATOM 101 C PHE 410 -5.348 49.820 75.233 1.00 53.82 C ATOM 102 O PHE 410 -5.478 48.750 75.822 1.00 53.82 O ATOM 103 N SER 411 -6.388 50.621 74.934 1.00 36.10 N ATOM 104 CA SER 411 -7.745 50.303 75.257 1.00 36.10 C ATOM 105 CB SER 411 -8.693 51.494 75.039 1.00 36.10 C ATOM 106 OG SER 411 -8.718 51.850 73.665 1.00 36.10 O ATOM 107 C SER 411 -8.231 49.182 74.391 1.00 36.10 C ATOM 108 O SER 411 -9.104 48.417 74.799 1.00 36.10 O ATOM 109 N GLN 412 -7.693 49.048 73.161 1.00 44.58 N ATOM 110 CA GLN 412 -8.246 48.021 72.327 1.00 44.58 C ATOM 111 CB GLN 412 -9.059 48.584 71.152 1.00 44.58 C ATOM 112 CG GLN 412 -10.281 49.375 71.632 1.00 44.58 C ATOM 113 CD GLN 412 -11.032 49.904 70.421 1.00 44.58 C ATOM 114 OE1 GLN 412 -11.380 49.151 69.514 1.00 44.58 O ATOM 115 NE2 GLN 412 -11.289 51.241 70.402 1.00 44.58 N ATOM 116 C GLN 412 -7.167 47.124 71.806 1.00 44.58 C ATOM 117 O GLN 412 -6.054 47.550 71.506 1.00 44.58 O ATOM 118 N SER 413 -7.514 45.826 71.688 1.00 77.48 N ATOM 119 CA SER 413 -6.620 44.783 71.274 1.00 77.48 C ATOM 120 CB SER 413 -7.301 43.406 71.276 1.00 77.48 C ATOM 121 OG SER 413 -7.785 43.099 72.572 1.00 77.48 O ATOM 122 C SER 413 -6.178 45.019 69.866 1.00 77.48 C ATOM 123 O SER 413 -5.007 44.836 69.537 1.00 77.48 O ATOM 124 N THR 414 -7.112 45.431 68.991 1.00 82.01 N ATOM 125 CA THR 414 -6.790 45.616 67.606 1.00 82.01 C ATOM 126 CB THR 414 -7.981 45.961 66.761 1.00 82.01 C ATOM 127 OG1 THR 414 -7.608 45.978 65.391 1.00 82.01 O ATOM 128 CG2 THR 414 -8.527 47.336 67.184 1.00 82.01 C ATOM 129 C THR 414 -5.788 46.717 67.474 1.00 82.01 C ATOM 130 O THR 414 -4.880 46.636 66.648 1.00 82.01 O ATOM 131 N SER 415 -5.931 47.788 68.279 1.00 64.44 N ATOM 132 CA SER 415 -5.014 48.889 68.183 1.00 64.44 C ATOM 133 CB SER 415 -5.401 50.090 69.067 1.00 64.44 C ATOM 134 OG SER 415 -5.264 49.762 70.441 1.00 64.44 O ATOM 135 C SER 415 -3.657 48.419 68.609 1.00 64.44 C ATOM 136 O SER 415 -2.640 48.879 68.093 1.00 64.44 O ATOM 137 N LEU 416 -3.607 47.487 69.578 1.00 40.18 N ATOM 138 CA LEU 416 -2.347 46.984 70.033 1.00 40.18 C ATOM 139 CB LEU 416 -2.487 45.995 71.197 0.50 40.18 C ATOM 140 CG LEU 416 -1.134 45.438 71.665 0.50 40.18 C ATOM 141 CD1 LEU 416 -0.210 46.558 72.164 0.50 40.18 C ATOM 142 CD2 LEU 416 -1.320 44.313 72.693 0.50 40.18 C ATOM 143 C LEU 416 -1.673 46.260 68.908 1.00 40.18 C ATOM 144 O LEU 416 -0.475 46.421 68.687 1.00 40.18 O ATOM 145 N ASN 417 -2.436 45.455 68.146 1.00 72.53 N ATOM 146 CA ASN 417 -1.853 44.659 67.100 1.00 72.53 C ATOM 147 CB ASN 417 -2.872 43.738 66.404 1.00 72.53 C ATOM 148 CG ASN 417 -2.092 42.721 65.579 1.00 72.53 C ATOM 149 OD1 ASN 417 -2.487 42.358 64.472 1.00 72.53 O ATOM 150 ND2 ASN 417 -0.947 42.242 66.133 1.00 72.53 N ATOM 151 C ASN 417 -1.255 45.548 66.051 1.00 72.53 C ATOM 152 O ASN 417 -0.161 45.283 65.556 1.00 72.53 O ATOM 153 N TYR 418 -1.969 46.630 65.690 1.00 92.94 N ATOM 154 CA TYR 418 -1.553 47.553 64.667 1.00 92.94 C ATOM 155 CB TYR 418 -2.624 48.642 64.460 1.00 92.94 C ATOM 156 CG TYR 418 -2.250 49.563 63.348 1.00 92.94 C ATOM 157 CD1 TYR 418 -2.491 49.203 62.041 1.00 92.94 C ATOM 158 CD2 TYR 418 -1.688 50.792 63.605 1.00 92.94 C ATOM 159 CE1 TYR 418 -2.161 50.043 61.004 1.00 92.94 C ATOM 160 CE2 TYR 418 -1.356 51.636 62.571 1.00 92.94 C ATOM 161 CZ TYR 418 -1.594 51.264 61.270 1.00 92.94 C ATOM 162 OH TYR 418 -1.253 52.131 60.211 1.00 92.94 O ATOM 163 C TYR 418 -0.292 48.226 65.118 1.00 92.94 C ATOM 164 O TYR 418 0.665 48.372 64.357 1.00 92.94 O ATOM 165 N HIS 419 -0.266 48.629 66.399 1.00 64.11 N ATOM 166 CA HIS 419 0.826 49.355 66.978 1.00 64.11 C ATOM 167 ND1 HIS 419 2.027 51.682 69.038 1.00 64.11 N ATOM 168 CG HIS 419 1.704 50.348 69.149 1.00 64.11 C ATOM 169 CB HIS 419 0.553 49.686 68.456 1.00 64.11 C ATOM 170 NE2 HIS 419 3.511 50.779 70.426 1.00 64.11 N ATOM 171 CD2 HIS 419 2.621 49.812 69.999 1.00 64.11 C ATOM 172 CE1 HIS 419 3.116 51.885 69.823 1.00 64.11 C ATOM 173 C HIS 419 2.080 48.537 66.913 1.00 64.11 C ATOM 174 O HIS 419 3.154 49.056 66.611 1.00 64.11 O ATOM 175 N MET 420 1.963 47.223 67.170 1.00118.68 N ATOM 176 CA MET 420 3.089 46.335 67.256 1.00118.68 C ATOM 177 CB MET 420 2.674 44.887 67.571 1.00118.68 C ATOM 178 CG MET 420 1.863 44.727 68.861 1.00118.68 C ATOM 179 SD MET 420 2.685 45.312 70.372 1.00118.68 S ATOM 180 CE MET 420 4.035 44.098 70.325 1.00118.68 C ATOM 181 C MET 420 3.817 46.292 65.944 1.00118.68 C ATOM 182 O MET 420 5.044 46.211 65.915 1.00118.68 O ATOM 183 N LYS 421 3.085 46.357 64.815 1.00120.39 N ATOM 184 CA LYS 421 3.726 46.229 63.534 1.00120.39 C ATOM 185 CB LYS 421 2.784 46.382 62.325 1.00120.39 C ATOM 186 CG LYS 421 2.203 45.061 61.832 1.00120.39 C ATOM 187 CD LYS 421 1.336 44.319 62.840 1.00120.39 C ATOM 188 CE LYS 421 0.822 42.993 62.283 1.00120.39 C ATOM 189 NZ LYS 421 1.949 42.218 61.717 1.00120.39 N ATOM 190 C LYS 421 4.779 47.266 63.373 1.00120.39 C ATOM 191 O LYS 421 5.823 46.999 62.784 1.00120.39 O ATOM 192 N PHE 422 4.554 48.479 63.892 1.00 52.36 N ATOM 193 CA PHE 422 5.514 49.515 63.668 1.00 52.36 C ATOM 194 CB PHE 422 5.045 50.871 64.207 1.00 52.36 C ATOM 195 CG PHE 422 3.878 51.204 63.341 1.00 52.36 C ATOM 196 CD1 PHE 422 4.060 51.770 62.099 1.00 52.36 C ATOM 197 CD2 PHE 422 2.598 50.933 63.763 1.00 52.36 C ATOM 198 CE1 PHE 422 2.988 52.072 61.293 1.00 52.36 C ATOM 199 CE2 PHE 422 1.526 51.234 62.959 1.00 52.36 C ATOM 200 CZ PHE 422 1.712 51.803 61.722 1.00 52.36 C ATOM 201 C PHE 422 6.828 49.117 64.260 1.00 52.36 C ATOM 202 O PHE 422 7.879 49.359 63.667 1.00 52.36 O ATOM 203 N HIS 423 6.814 48.482 65.443 1.00 45.77 N ATOM 204 CA HIS 423 8.043 48.069 66.050 1.00 45.77 C ATOM 205 ND1 HIS 423 7.458 49.086 69.103 1.00 45.77 N ATOM 206 CG HIS 423 6.990 48.032 68.352 1.00 45.77 C ATOM 207 CB HIS 423 7.813 47.281 67.351 1.00 45.77 C ATOM 208 NE2 HIS 423 5.333 48.789 69.681 1.00 45.77 N ATOM 209 CD2 HIS 423 5.690 47.863 68.718 1.00 45.77 C ATOM 210 CE1 HIS 423 6.426 49.501 69.880 1.00 45.77 C ATOM 211 C HIS 423 8.699 47.127 65.093 1.00 45.77 C ATOM 212 O HIS 423 9.901 47.209 64.840 1.00 45.77 O ATOM 213 N ALA 424 7.899 46.210 64.516 1.00 18.76 N ATOM 214 CA ALA 424 8.430 45.242 63.602 1.00 18.76 C ATOM 215 CB ALA 424 7.357 44.277 63.063 1.00 18.76 C ATOM 216 C ALA 424 9.010 45.969 62.430 1.00 18.76 C ATOM 217 O ALA 424 10.110 45.657 61.974 1.00 18.76 O ATOM 218 N GLY 425 8.289 46.983 61.921 1.00 10.26 N ATOM 219 CA GLY 425 8.784 47.706 60.791 1.00 10.26 C ATOM 220 C GLY 425 8.585 46.807 59.579 1.00 10.26 C ATOM 221 O GLY 425 8.179 47.331 58.509 1.00 10.26 O ATOM 222 OXT GLY 425 8.821 45.576 59.713 1.00 10.26 O