EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:04:55 REMARK 6 MODELLER OBJECTIVE FUNCTION: 78.7231 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 41.379 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -2066.18335 REMARK 6 GA341 score: 0.95806 REMARK 6 Normalized DOPE score: -0.04205 REMARK 6 TEMPLATE: 1llmC01 101:C - 129:C MODELS 1: - 29: AT 41.4% ATOM 1 N GLU 306 1.294 24.801 65.674 1.00 53.29 N ATOM 2 CA GLU 306 0.352 24.903 64.538 1.00 53.29 C ATOM 3 CB GLU 306 -1.097 25.006 65.055 1.00 53.29 C ATOM 4 CG GLU 306 -1.330 26.125 66.071 1.00 53.29 C ATOM 5 CD GLU 306 -2.800 26.087 66.466 1.00 53.29 C ATOM 6 OE1 GLU 306 -3.607 25.541 65.665 1.00 53.29 O ATOM 7 OE2 GLU 306 -3.137 26.598 67.566 1.00 53.29 O ATOM 8 C GLU 306 0.673 26.066 63.656 1.00 53.29 C ATOM 9 O GLU 306 1.642 26.032 62.898 1.00 53.29 O ATOM 10 N LYS 307 -0.141 27.134 63.722 1.00 54.23 N ATOM 11 CA LYS 307 0.131 28.268 62.892 1.00 54.23 C ATOM 12 CB LYS 307 -1.156 28.870 62.312 1.00 54.23 C ATOM 13 CG LYS 307 -1.875 27.863 61.409 1.00 54.23 C ATOM 14 CD LYS 307 -3.349 28.176 61.149 1.00 54.23 C ATOM 15 CE LYS 307 -4.062 27.081 60.350 1.00 54.23 C ATOM 16 NZ LYS 307 -5.521 27.320 60.343 1.00 54.23 N ATOM 17 C LYS 307 0.815 29.288 63.746 1.00 54.23 C ATOM 18 O LYS 307 0.176 30.087 64.428 1.00 54.23 O ATOM 19 N LEU 308 2.161 29.261 63.701 1.00144.97 N ATOM 20 CA LEU 308 3.064 30.067 64.473 1.00144.97 C ATOM 21 CB LEU 308 4.522 29.572 64.317 1.00144.97 C ATOM 22 CG LEU 308 5.611 30.346 65.096 1.00144.97 C ATOM 23 CD1 LEU 308 5.908 31.732 64.502 1.00144.97 C ATOM 24 CD2 LEU 308 5.277 30.396 66.596 1.00144.97 C ATOM 25 C LEU 308 3.007 31.516 64.093 1.00144.97 C ATOM 26 O LEU 308 3.093 32.380 64.963 1.00144.97 O ATOM 27 N PHE 309 2.867 31.842 62.792 1.00 65.15 N ATOM 28 CA PHE 309 3.015 33.221 62.418 1.00 65.15 C ATOM 29 CB PHE 309 3.794 33.407 61.109 1.00 65.15 C ATOM 30 CG PHE 309 5.179 32.925 61.358 1.00 65.15 C ATOM 31 CD1 PHE 309 5.474 31.585 61.268 1.00 65.15 C ATOM 32 CD2 PHE 309 6.185 33.809 61.675 1.00 65.15 C ATOM 33 CE1 PHE 309 6.751 31.130 61.496 1.00 65.15 C ATOM 34 CE2 PHE 309 7.464 33.359 61.905 1.00 65.15 C ATOM 35 CZ PHE 309 7.750 32.018 61.813 1.00 65.15 C ATOM 36 C PHE 309 1.692 33.891 62.240 1.00 65.15 C ATOM 37 O PHE 309 0.840 33.427 61.485 1.00 65.15 O ATOM 38 N THR 310 1.519 35.050 62.911 1.00 33.93 N ATOM 39 CA THR 310 0.275 35.760 62.854 1.00 33.93 C ATOM 40 CB THR 310 -0.302 36.048 64.209 0.50 33.93 C ATOM 41 OG1 THR 310 -0.525 34.838 64.920 1.00 33.93 O ATOM 42 CG2 THR 310 -1.623 36.813 64.028 1.00 33.93 C ATOM 43 C THR 310 0.482 37.086 62.194 1.00 33.93 C ATOM 44 O THR 310 1.511 37.737 62.368 1.00 33.93 O ATOM 45 N CYS 311 -0.524 37.510 61.402 1.00 34.68 N ATOM 46 CA CYS 311 -0.499 38.781 60.742 1.00 34.68 C ATOM 47 CB CYS 311 -1.347 38.813 59.458 1.00 34.68 C ATOM 48 SG CYS 311 -1.307 40.429 58.625 1.00 34.68 S ATOM 49 C CYS 311 -1.090 39.761 61.703 1.00 34.68 C ATOM 50 O CYS 311 -2.140 39.522 62.295 1.00 34.68 O ATOM 51 N THR 312 -0.403 40.900 61.893 1.00 38.75 N ATOM 52 CA THR 312 -0.828 41.887 62.837 1.00 38.75 C ATOM 53 CB THR 312 0.164 42.998 62.992 1.00 38.75 C ATOM 54 OG1 THR 312 1.416 42.476 63.407 1.00 38.75 O ATOM 55 CG2 THR 312 -0.369 43.984 64.044 1.00 38.75 C ATOM 56 C THR 312 -2.124 42.502 62.411 1.00 38.75 C ATOM 57 O THR 312 -2.976 42.789 63.251 1.00 38.75 O ATOM 58 N GLN 313 -2.291 42.778 61.102 1.00105.44 N ATOM 59 CA GLN 313 -3.487 43.470 60.714 1.00105.44 C ATOM 60 CB GLN 313 -3.450 43.928 59.245 1.00105.44 C ATOM 61 CG GLN 313 -2.445 45.051 58.982 1.00105.44 C ATOM 62 CD GLN 313 -1.047 44.511 59.249 1.00105.44 C ATOM 63 OE1 GLN 313 -0.661 43.469 58.722 1.00105.44 O ATOM 64 NE2 GLN 313 -0.272 45.235 60.103 1.00105.44 N ATOM 65 C GLN 313 -4.713 42.625 60.891 1.00105.44 C ATOM 66 O GLN 313 -5.614 42.989 61.646 1.00105.44 O ATOM 67 N CYS 314 -4.776 41.475 60.188 1.00 57.85 N ATOM 68 CA CYS 314 -5.915 40.596 60.236 1.00 57.85 C ATOM 69 CB CYS 314 -5.983 39.643 59.030 1.00 57.85 C ATOM 70 SG CYS 314 -4.492 38.622 58.837 1.00 57.85 S ATOM 71 C CYS 314 -5.943 39.788 61.499 1.00 57.85 C ATOM 72 O CYS 314 -7.003 39.572 62.084 1.00 57.85 O ATOM 73 N GLY 315 -4.769 39.317 61.961 1.00 21.56 N ATOM 74 CA GLY 315 -4.735 38.499 63.140 1.00 21.56 C ATOM 75 C GLY 315 -4.810 37.059 62.726 1.00 21.56 C ATOM 76 O GLY 315 -4.906 36.165 63.566 1.00 21.56 O ATOM 77 N LYS 316 -4.770 36.800 61.406 1.00105.91 N ATOM 78 CA LYS 316 -4.824 35.466 60.880 1.00105.91 C ATOM 79 CB LYS 316 -5.005 35.460 59.351 1.00105.91 C ATOM 80 CG LYS 316 -5.177 34.077 58.726 1.00105.91 C ATOM 81 CD LYS 316 -6.542 33.449 58.992 1.00105.91 C ATOM 82 CE LYS 316 -6.733 32.101 58.296 1.00105.91 C ATOM 83 NZ LYS 316 -5.999 31.041 59.022 1.00105.91 N ATOM 84 C LYS 316 -3.513 34.805 61.191 1.00105.91 C ATOM 85 O LYS 316 -2.478 35.467 61.249 1.00105.91 O ATOM 86 N SER 317 -3.526 33.472 61.406 1.00 39.08 N ATOM 87 CA SER 317 -2.311 32.774 61.728 1.00 39.08 C ATOM 88 CB SER 317 -2.437 31.900 62.986 1.00 39.08 C ATOM 89 OG SER 317 -2.778 32.709 64.103 1.00 39.08 O ATOM 90 C SER 317 -1.987 31.872 60.577 1.00 39.08 C ATOM 91 O SER 317 -2.882 31.373 59.897 1.00 39.08 O ATOM 92 N PHE 318 -0.682 31.644 60.317 1.00 58.01 N ATOM 93 CA PHE 318 -0.314 30.843 59.185 1.00 58.01 C ATOM 94 CB PHE 318 0.331 31.662 58.054 1.00 58.01 C ATOM 95 CG PHE 318 -0.672 32.676 57.615 1.00 58.01 C ATOM 96 CD1 PHE 318 -0.756 33.891 58.255 1.00 58.01 C ATOM 97 CD2 PHE 318 -1.529 32.415 56.571 1.00 58.01 C ATOM 98 CE1 PHE 318 -1.680 34.832 57.862 1.00 58.01 C ATOM 99 CE2 PHE 318 -2.455 33.352 56.174 1.00 58.01 C ATOM 100 CZ PHE 318 -2.530 34.564 56.816 1.00 58.01 C ATOM 101 C PHE 318 0.688 29.822 59.619 1.00 58.01 C ATOM 102 O PHE 318 1.436 30.021 60.574 1.00 58.01 O ATOM 103 N SER 319 0.701 28.676 58.914 1.00 36.94 N ATOM 104 CA SER 319 1.590 27.585 59.188 1.00 36.94 C ATOM 105 CB SER 319 1.215 26.309 58.412 1.00 36.94 C ATOM 106 OG SER 319 1.347 26.524 57.014 1.00 36.94 O ATOM 107 C SER 319 2.994 27.943 58.799 1.00 36.94 C ATOM 108 O SER 319 3.943 27.414 59.377 1.00 36.94 O ATOM 109 N GLN 320 3.179 28.833 57.800 1.00 38.18 N ATOM 110 CA GLN 320 4.525 29.095 57.362 1.00 38.18 C ATOM 111 CB GLN 320 4.803 28.630 55.922 1.00 38.18 C ATOM 112 CG GLN 320 4.716 27.117 55.729 1.00 38.18 C ATOM 113 CD GLN 320 5.018 26.835 54.266 1.00 38.18 C ATOM 114 OE1 GLN 320 5.915 27.441 53.681 1.00 38.18 O ATOM 115 NE2 GLN 320 4.247 25.900 53.652 1.00 38.18 N ATOM 116 C GLN 320 4.816 30.565 57.394 1.00 38.18 C ATOM 117 O GLN 320 3.969 31.396 57.070 1.00 38.18 O ATOM 118 N SER 321 6.061 30.907 57.782 1.00 30.88 N ATOM 119 CA SER 321 6.512 32.266 57.890 1.00 30.88 C ATOM 120 CB SER 321 7.937 32.381 58.456 1.00 30.88 C ATOM 121 OG SER 321 8.867 31.841 57.530 1.00 30.88 O ATOM 122 C SER 321 6.538 32.896 56.532 1.00 30.88 C ATOM 123 O SER 321 6.195 34.066 56.375 1.00 30.88 O ATOM 124 N SER 322 6.945 32.127 55.504 1.00 23.03 N ATOM 125 CA SER 322 7.055 32.673 54.181 1.00 23.03 C ATOM 126 CB SER 322 7.587 31.660 53.151 1.00 23.03 C ATOM 127 OG SER 322 6.649 30.611 52.965 1.00 23.03 O ATOM 128 C SER 322 5.695 33.091 53.733 1.00 23.03 C ATOM 129 O SER 322 5.534 34.142 53.114 1.00 23.03 O ATOM 130 N LEU 323 4.677 32.266 54.038 1.00 77.71 N ATOM 131 CA LEU 323 3.336 32.565 53.635 1.00 77.71 C ATOM 132 CB LEU 323 2.342 31.416 53.884 1.00 77.71 C ATOM 133 CG LEU 323 2.567 30.225 52.930 1.00 77.71 C ATOM 134 CD1 LEU 323 3.932 29.561 53.170 1.00 77.71 C ATOM 135 CD2 LEU 323 1.393 29.234 52.969 1.00 77.71 C ATOM 136 C LEU 323 2.871 33.793 54.350 1.00 77.71 C ATOM 137 O LEU 323 2.117 34.587 53.792 1.00 77.71 O ATOM 138 N LEU 324 3.289 33.978 55.616 1.00 37.18 N ATOM 139 CA LEU 324 2.879 35.146 56.341 1.00 37.18 C ATOM 140 CB LEU 324 3.420 35.180 57.783 0.50 37.18 C ATOM 141 CG LEU 324 2.993 36.440 58.560 0.50 37.18 C ATOM 142 CD1 LEU 324 1.466 36.515 58.706 0.50 37.18 C ATOM 143 CD2 LEU 324 3.728 36.547 59.906 0.50 37.18 C ATOM 144 C LEU 324 3.413 36.359 55.642 1.00 37.18 C ATOM 145 O LEU 324 2.710 37.355 55.479 1.00 37.18 O ATOM 146 N TYR 325 4.676 36.293 55.183 1.00137.83 N ATOM 147 CA TYR 325 5.317 37.420 54.566 1.00137.83 C ATOM 148 CB TYR 325 6.773 37.103 54.173 1.00137.83 C ATOM 149 CG TYR 325 7.372 38.273 53.472 1.00137.83 C ATOM 150 CD1 TYR 325 7.869 39.348 54.174 1.00137.83 C ATOM 151 CD2 TYR 325 7.448 38.285 52.099 1.00137.83 C ATOM 152 CE1 TYR 325 8.426 40.419 53.512 1.00137.83 C ATOM 153 CE2 TYR 325 8.003 39.350 51.432 1.00137.83 C ATOM 154 CZ TYR 325 8.491 40.421 52.138 1.00137.83 C ATOM 155 OH TYR 325 9.060 41.513 51.448 1.00137.83 O ATOM 156 C TYR 325 4.568 37.816 53.327 1.00137.83 C ATOM 157 O TYR 325 4.289 38.996 53.119 1.00137.83 O ATOM 158 N LEU 326 4.212 36.836 52.476 1.00118.63 N ATOM 159 CA LEU 326 3.521 37.103 51.245 1.00118.63 C ATOM 160 CB LEU 326 3.318 35.831 50.407 1.00118.63 C ATOM 161 CG LEU 326 2.573 36.064 49.082 1.00118.63 C ATOM 162 CD1 LEU 326 3.394 36.944 48.128 1.00118.63 C ATOM 163 CD2 LEU 326 2.140 34.730 48.451 1.00118.63 C ATOM 164 C LEU 326 2.164 37.661 51.539 1.00118.63 C ATOM 165 O LEU 326 1.706 38.594 50.880 1.00118.63 O ATOM 166 N HIS 327 1.493 37.107 52.566 1.00 61.61 N ATOM 167 CA HIS 327 0.153 37.475 52.926 1.00 61.61 C ATOM 168 ND1 HIS 327 -2.905 36.834 54.088 1.00 61.61 N ATOM 169 CG HIS 327 -1.690 37.207 54.616 1.00 61.61 C ATOM 170 CB HIS 327 -0.362 36.703 54.149 1.00 61.61 C ATOM 171 NE2 HIS 327 -3.333 38.315 55.691 1.00 61.61 N ATOM 172 CD2 HIS 327 -1.970 38.111 55.594 1.00 61.61 C ATOM 173 CE1 HIS 327 -3.854 37.525 54.768 1.00 61.61 C ATOM 174 C HIS 327 0.089 38.926 53.282 1.00 61.61 C ATOM 175 O HIS 327 -0.860 39.617 52.916 1.00 61.61 O ATOM 176 N MET 328 1.117 39.434 53.978 1.00110.53 N ATOM 177 CA MET 328 1.137 40.787 54.457 1.00110.53 C ATOM 178 CB MET 328 2.443 41.123 55.193 1.00110.53 C ATOM 179 CG MET 328 2.498 42.559 55.717 1.00110.53 C ATOM 180 SD MET 328 4.033 42.978 56.594 1.00110.53 S ATOM 181 CE MET 328 3.551 44.695 56.941 1.00110.53 C ATOM 182 C MET 328 1.042 41.713 53.285 1.00110.53 C ATOM 183 O MET 328 0.428 42.776 53.364 1.00110.53 O ATOM 184 N ILE 329 1.638 41.319 52.150 1.00 41.64 N ATOM 185 CA ILE 329 1.678 42.139 50.975 1.00 41.64 C ATOM 186 CB ILE 329 2.352 41.461 49.821 1.00 41.64 C ATOM 187 CG1 ILE 329 3.828 41.184 50.159 1.00 41.64 C ATOM 188 CG2 ILE 329 2.155 42.336 48.574 1.00 41.64 C ATOM 189 CD1 ILE 329 4.521 40.252 49.166 1.00 41.64 C ATOM 190 C ILE 329 0.279 42.467 50.563 1.00 41.64 C ATOM 191 O ILE 329 0.032 43.548 50.034 1.00 41.64 O ATOM 192 N SER 330 -0.673 41.540 50.771 1.00 83.16 N ATOM 193 CA SER 330 -2.029 41.771 50.358 1.00 83.16 C ATOM 194 CB SER 330 -2.990 40.690 50.878 1.00 83.16 C ATOM 195 OG SER 330 -2.573 39.404 50.442 1.00 83.16 O ATOM 196 C SER 330 -2.502 43.062 50.954 1.00 83.16 C ATOM 197 O SER 330 -3.019 43.924 50.246 1.00 83.16 O ATOM 198 N HIS 331 -2.349 43.226 52.280 1.00 45.94 N ATOM 199 CA HIS 331 -2.816 44.423 52.918 1.00 45.94 C ATOM 200 ND1 HIS 331 -4.814 43.223 55.261 1.00 45.94 N ATOM 201 CG HIS 331 -3.452 43.225 55.059 1.00 45.94 C ATOM 202 CB HIS 331 -2.691 44.363 54.448 1.00 45.94 C ATOM 203 NE2 HIS 331 -4.057 41.271 56.011 1.00 45.94 N ATOM 204 CD2 HIS 331 -3.005 42.025 55.522 1.00 45.94 C ATOM 205 CE1 HIS 331 -5.121 42.032 55.834 1.00 45.94 C ATOM 206 C HIS 331 -2.008 45.606 52.472 1.00 45.94 C ATOM 207 O HIS 331 -2.557 46.637 52.086 1.00 45.94 O ATOM 208 N ASN 332 -0.669 45.467 52.496 1.00 63.38 N ATOM 209 CA ASN 332 0.225 46.563 52.241 1.00 63.38 C ATOM 210 CB ASN 332 1.701 46.178 52.449 1.00 63.38 C ATOM 211 CG ASN 332 2.529 47.454 52.503 1.00 63.38 C ATOM 212 OD1 ASN 332 2.394 48.336 51.656 1.00 63.38 O ATOM 213 ND2 ASN 332 3.409 47.563 53.534 1.00 63.38 N ATOM 214 C ASN 332 0.080 47.067 50.844 1.00 63.38 C ATOM 215 O ASN 332 0.041 48.275 50.616 1.00 63.38 O ATOM 216 N GLY 333 -0.030 46.156 49.864 1.00 13.41 N ATOM 217 CA GLY 333 -0.060 46.599 48.504 1.00 13.41 C ATOM 218 C GLY 333 1.372 46.723 48.113 1.00 13.41 C ATOM 219 O GLY 333 1.711 47.273 47.066 1.00 13.41 O ATOM 220 N GLU 334 2.254 46.204 48.989 1.00 19.75 N ATOM 221 CA GLU 334 3.666 46.224 48.763 1.00 19.75 C ATOM 222 CB GLU 334 4.450 45.599 49.929 1.00 19.75 C ATOM 223 CG GLU 334 5.970 45.633 49.766 1.00 19.75 C ATOM 224 CD GLU 334 6.575 44.964 50.994 1.00 19.75 C ATOM 225 OE1 GLU 334 6.370 43.730 51.153 1.00 19.75 O ATOM 226 OE2 GLU 334 7.247 45.671 51.790 1.00 19.75 O ATOM 227 C GLU 334 3.922 45.367 47.535 1.00 19.75 C ATOM 228 O GLU 334 3.029 44.547 47.196 1.00 19.75 O ATOM 229 OXT GLU 334 5.016 45.512 46.925 1.00 19.75 O