EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:13:45 REMARK 6 MODELLER OBJECTIVE FUNCTION: 87.5543 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 31.034 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1802.71045 REMARK 6 GA341 score: 0.79947 REMARK 6 Normalized DOPE score: -1.29861 REMARK 6 TEMPLATE: 1llmC01 101:C - 129:C MODELS 1: - 29: AT 31.0% ATOM 1 N GLU 297 -21.276 45.067 62.315 1.00 20.09 N ATOM 2 CA GLU 297 -20.456 45.512 61.169 1.00 20.09 C ATOM 3 CB GLU 297 -20.411 47.050 61.100 1.00 20.09 C ATOM 4 CG GLU 297 -21.769 47.687 60.792 1.00 20.09 C ATOM 5 CD GLU 297 -21.589 49.200 60.741 1.00 20.09 C ATOM 6 OE1 GLU 297 -20.679 49.714 61.443 1.00 20.09 O ATOM 7 OE2 GLU 297 -22.359 49.863 59.995 1.00 20.09 O ATOM 8 C GLU 297 -19.066 45.001 61.317 1.00 20.09 C ATOM 9 O GLU 297 -18.802 44.111 62.125 1.00 20.09 O ATOM 10 N ASN 298 -18.136 45.544 60.517 1.00 48.83 N ATOM 11 CA ASN 298 -16.786 45.091 60.626 1.00 48.83 C ATOM 12 CB ASN 298 -16.100 44.930 59.263 1.00 48.83 C ATOM 13 CG ASN 298 -16.890 43.914 58.451 1.00 48.83 C ATOM 14 OD1 ASN 298 -16.895 42.721 58.749 1.00 48.83 O ATOM 15 ND2 ASN 298 -17.583 44.406 57.389 1.00 48.83 N ATOM 16 C ASN 298 -16.064 46.174 61.351 1.00 48.83 C ATOM 17 O ASN 298 -15.773 47.229 60.793 1.00 48.83 O ATOM 18 N ARG 299 -15.759 45.914 62.631 1.00183.51 N ATOM 19 CA ARG 299 -15.149 46.866 63.505 1.00183.51 C ATOM 20 CB ARG 299 -15.060 46.341 64.944 1.00183.51 C ATOM 21 CG ARG 299 -16.428 45.965 65.515 1.00183.51 C ATOM 22 CD ARG 299 -17.412 47.135 65.528 1.00183.51 C ATOM 23 NE ARG 299 -16.781 48.222 66.326 1.00183.51 N ATOM 24 CZ ARG 299 -17.184 49.516 66.165 1.00183.51 C ATOM 25 NH1 ARG 299 -18.190 49.814 65.292 1.00183.51 N ATOM 26 NH2 ARG 299 -16.576 50.516 66.868 1.00183.51 N ATOM 27 C ARG 299 -13.757 47.186 63.062 1.00183.51 C ATOM 28 O ARG 299 -13.337 48.341 63.126 1.00183.51 O ATOM 29 N PHE 300 -12.997 46.184 62.586 1.00 65.28 N ATOM 30 CA PHE 300 -11.612 46.447 62.321 1.00 65.28 C ATOM 31 CB PHE 300 -10.700 45.297 62.771 1.00 65.28 C ATOM 32 CG PHE 300 -10.930 45.127 64.232 1.00 65.28 C ATOM 33 CD1 PHE 300 -11.919 44.284 64.691 1.00 65.28 C ATOM 34 CD2 PHE 300 -10.167 45.818 65.145 1.00 65.28 C ATOM 35 CE1 PHE 300 -12.139 44.124 66.038 1.00 65.28 C ATOM 36 CE2 PHE 300 -10.383 45.663 66.494 1.00 65.28 C ATOM 37 CZ PHE 300 -11.367 44.815 66.941 1.00 65.28 C ATOM 38 C PHE 300 -11.397 46.645 60.855 1.00 65.28 C ATOM 39 O PHE 300 -11.770 45.804 60.040 1.00 65.28 O ATOM 40 N ILE 301 -10.735 47.768 60.497 1.00 86.07 N ATOM 41 CA ILE 301 -10.503 48.117 59.126 1.00 86.07 C ATOM 42 CB ILE 301 -10.985 49.495 58.774 0.50 86.07 C ATOM 43 CG1 ILE 301 -10.842 49.751 57.264 1.00 86.07 C ATOM 44 CG2 ILE 301 -10.223 50.507 59.647 1.00 86.07 C ATOM 45 CD1 ILE 301 -11.534 51.032 56.800 1.00 86.07 C ATOM 46 C ILE 301 -9.033 48.128 58.866 1.00 86.07 C ATOM 47 O ILE 301 -8.243 48.564 59.705 1.00 86.07 O ATOM 48 N CYS 302 -8.640 47.630 57.677 1.00 37.80 N ATOM 49 CA CYS 302 -7.264 47.639 57.288 1.00 37.80 C ATOM 50 CB CYS 302 -6.912 46.540 56.267 1.00 37.80 C ATOM 51 SG CYS 302 -5.157 46.553 55.792 1.00 37.80 S ATOM 52 C CYS 302 -7.038 48.962 56.630 1.00 37.80 C ATOM 53 O CYS 302 -7.789 49.372 55.746 1.00 37.80 O ATOM 54 N GLY 303 -5.996 49.683 57.074 1.00 31.03 N ATOM 55 CA GLY 303 -5.712 50.985 56.554 1.00 31.03 C ATOM 56 C GLY 303 -5.324 50.914 55.110 1.00 31.03 C ATOM 57 O GLY 303 -5.694 51.785 54.327 1.00 31.03 O ATOM 58 N GLU 304 -4.516 49.904 54.722 1.00123.02 N ATOM 59 CA GLU 304 -4.056 49.909 53.362 1.00123.02 C ATOM 60 CB GLU 304 -3.013 48.809 53.084 1.00123.02 C ATOM 61 CG GLU 304 -2.232 49.032 51.787 1.00123.02 C ATOM 62 CD GLU 304 -1.327 50.237 52.011 1.00123.02 C ATOM 63 OE1 GLU 304 -1.861 51.308 52.405 1.00123.02 O ATOM 64 OE2 GLU 304 -0.093 50.105 51.794 1.00123.02 O ATOM 65 C GLU 304 -5.189 49.696 52.401 1.00123.02 C ATOM 66 O GLU 304 -5.503 50.574 51.598 1.00123.02 O ATOM 67 N CYS 305 -5.837 48.515 52.475 1.00 55.22 N ATOM 68 CA CYS 305 -6.908 48.150 51.588 1.00 55.22 C ATOM 69 CB CYS 305 -7.171 46.633 51.567 1.00 55.22 C ATOM 70 SG CYS 305 -7.577 45.948 53.199 1.00 55.22 S ATOM 71 C CYS 305 -8.178 48.871 51.925 1.00 55.22 C ATOM 72 O CYS 305 -8.905 49.317 51.037 1.00 55.22 O ATOM 73 N GLY 306 -8.476 49.012 53.230 1.00 24.11 N ATOM 74 CA GLY 306 -9.694 49.650 53.634 1.00 24.11 C ATOM 75 C GLY 306 -10.744 48.599 53.830 1.00 24.11 C ATOM 76 O GLY 306 -11.904 48.915 54.090 1.00 24.11 O ATOM 77 N LYS 307 -10.362 47.312 53.706 1.00 67.90 N ATOM 78 CA LYS 307 -11.295 46.239 53.899 1.00 67.90 C ATOM 79 CB LYS 307 -10.771 44.884 53.388 1.00 67.90 C ATOM 80 CG LYS 307 -11.798 43.750 53.453 1.00 67.90 C ATOM 81 CD LYS 307 -11.402 42.527 52.621 1.00 67.90 C ATOM 82 CE LYS 307 -12.366 41.347 52.760 1.00 67.90 C ATOM 83 NZ LYS 307 -13.677 41.692 52.164 1.00 67.90 N ATOM 84 C LYS 307 -11.555 46.126 55.368 1.00 67.90 C ATOM 85 O LYS 307 -10.682 46.396 56.190 1.00 67.90 O ATOM 86 N SER 308 -12.784 45.721 55.742 1.00 82.04 N ATOM 87 CA SER 308 -13.120 45.662 57.135 1.00 82.04 C ATOM 88 CB SER 308 -14.368 46.490 57.468 1.00 82.04 C ATOM 89 OG SER 308 -15.486 45.984 56.756 1.00 82.04 O ATOM 90 C SER 308 -13.366 44.236 57.524 1.00 82.04 C ATOM 91 O SER 308 -13.765 43.412 56.703 1.00 82.04 O ATOM 92 N LEU 309 -13.097 43.904 58.806 1.00 83.90 N ATOM 93 CA LEU 309 -13.267 42.550 59.257 1.00 83.90 C ATOM 94 CB LEU 309 -11.944 41.813 59.525 1.00 83.90 C ATOM 95 CG LEU 309 -11.092 41.615 58.259 1.00 83.90 C ATOM 96 CD1 LEU 309 -11.802 40.707 57.243 1.00 83.90 C ATOM 97 CD2 LEU 309 -10.665 42.963 57.662 1.00 83.90 C ATOM 98 C LEU 309 -14.037 42.540 60.539 1.00 83.90 C ATOM 99 O LEU 309 -14.005 43.487 61.323 1.00 83.90 O ATOM 100 N THR 310 -14.780 41.440 60.760 1.00 41.61 N ATOM 101 CA THR 310 -15.569 41.245 61.939 1.00 41.61 C ATOM 102 CB THR 310 -16.491 40.063 61.847 1.00 41.61 C ATOM 103 OG1 THR 310 -15.749 38.859 61.730 1.00 41.61 O ATOM 104 CG2 THR 310 -17.394 40.251 60.616 1.00 41.61 C ATOM 105 C THR 310 -14.674 41.041 63.126 1.00 41.61 C ATOM 106 O THR 310 -15.023 41.445 64.236 1.00 41.61 O ATOM 107 N SER 311 -13.503 40.392 62.935 1.00 83.16 N ATOM 108 CA SER 311 -12.668 40.098 64.069 1.00 83.16 C ATOM 109 CB SER 311 -12.384 38.596 64.257 1.00 83.16 C ATOM 110 OG SER 311 -13.574 37.908 64.613 1.00 83.16 O ATOM 111 C SER 311 -11.333 40.768 63.948 1.00 83.16 C ATOM 112 O SER 311 -10.750 40.871 62.868 1.00 83.16 O ATOM 113 N LYS 312 -10.817 41.219 65.110 1.00 81.52 N ATOM 114 CA LYS 312 -9.562 41.898 65.268 1.00 81.52 C ATOM 115 CB LYS 312 -9.299 42.294 66.732 1.00 81.52 C ATOM 116 CG LYS 312 -7.899 42.866 66.975 1.00 81.52 C ATOM 117 CD LYS 312 -7.650 43.272 68.430 1.00 81.52 C ATOM 118 CE LYS 312 -6.201 43.669 68.729 1.00 81.52 C ATOM 119 NZ LYS 312 -6.024 43.876 70.185 1.00 81.52 N ATOM 120 C LYS 312 -8.426 41.003 64.882 1.00 81.52 C ATOM 121 O LYS 312 -7.493 41.436 64.207 1.00 81.52 O ATOM 122 N ARG 313 -8.466 39.727 65.305 1.00 82.85 N ATOM 123 CA ARG 313 -7.370 38.838 65.040 1.00 82.85 C ATOM 124 CB ARG 313 -7.543 37.454 65.683 1.00 82.85 C ATOM 125 CG ARG 313 -7.373 37.489 67.202 1.00 82.85 C ATOM 126 CD ARG 313 -5.940 37.215 67.663 1.00 82.85 C ATOM 127 NE ARG 313 -5.676 35.761 67.488 1.00 82.85 N ATOM 128 CZ ARG 313 -5.880 34.913 68.539 1.00 82.85 C ATOM 129 NH1 ARG 313 -6.324 35.411 69.730 1.00 82.85 N ATOM 130 NH2 ARG 313 -5.636 33.576 68.404 1.00 82.85 N ATOM 131 C ARG 313 -7.242 38.654 63.569 1.00 82.85 C ATOM 132 O ARG 313 -6.135 38.620 63.035 1.00 82.85 O ATOM 133 N ASN 314 -8.382 38.537 62.870 1.00 68.60 N ATOM 134 CA ASN 314 -8.357 38.323 61.456 1.00 68.60 C ATOM 135 CB ASN 314 -9.765 38.163 60.865 1.00 68.60 C ATOM 136 CG ASN 314 -9.624 37.783 59.402 1.00 68.60 C ATOM 137 OD1 ASN 314 -10.125 38.479 58.520 1.00 68.60 O ATOM 138 ND2 ASN 314 -8.920 36.651 59.133 1.00 68.60 N ATOM 139 C ASN 314 -7.720 39.511 60.814 1.00 68.60 C ATOM 140 O ASN 314 -6.977 39.384 59.842 1.00 68.60 O ATOM 141 N LEU 315 -8.013 40.712 61.338 1.00 46.25 N ATOM 142 CA LEU 315 -7.463 41.912 60.783 1.00 46.25 C ATOM 143 CB LEU 315 -7.992 43.182 61.462 0.50 46.25 C ATOM 144 CG LEU 315 -7.373 44.456 60.866 0.50 46.25 C ATOM 145 CD1 LEU 315 -7.727 44.595 59.374 0.50 46.25 C ATOM 146 CD2 LEU 315 -7.737 45.695 61.698 0.50 46.25 C ATOM 147 C LEU 315 -5.974 41.925 60.945 1.00 46.25 C ATOM 148 O LEU 315 -5.247 42.269 60.014 1.00 46.25 O ATOM 149 N ASN 316 -5.469 41.543 62.130 1.00 76.63 N ATOM 150 CA ASN 316 -4.058 41.648 62.360 1.00 76.63 C ATOM 151 CB ASN 316 -3.644 41.302 63.796 1.00 76.63 C ATOM 152 CG ASN 316 -2.212 41.787 63.956 1.00 76.63 C ATOM 153 OD1 ASN 316 -1.293 40.994 64.144 1.00 76.63 O ATOM 154 ND2 ASN 316 -2.010 43.130 63.860 1.00 76.63 N ATOM 155 C ASN 316 -3.309 40.748 61.429 1.00 76.63 C ATOM 156 O ASN 316 -2.307 41.152 60.843 1.00 76.63 O ATOM 157 N THR 317 -3.788 39.503 61.255 1.00 91.94 N ATOM 158 CA THR 317 -3.116 38.568 60.401 1.00 91.94 C ATOM 159 CB THR 317 -3.753 37.207 60.420 1.00 91.94 C ATOM 160 OG1 THR 317 -2.999 36.306 59.625 1.00 91.94 O ATOM 161 CG2 THR 317 -5.189 37.306 59.883 1.00 91.94 C ATOM 162 C THR 317 -3.151 39.087 58.997 1.00 91.94 C ATOM 163 O THR 317 -2.174 38.990 58.255 1.00 91.94 O ATOM 164 N HIS 318 -4.291 39.686 58.617 1.00 58.41 N ATOM 165 CA HIS 318 -4.539 40.181 57.296 1.00 58.41 C ATOM 166 ND1 HIS 318 -6.755 40.893 54.819 1.00 58.41 N ATOM 167 CG HIS 318 -6.169 41.515 55.897 1.00 58.41 C ATOM 168 CB HIS 318 -5.911 40.865 57.217 1.00 58.41 C ATOM 169 NE2 HIS 318 -6.306 42.978 54.189 1.00 58.41 N ATOM 170 CD2 HIS 318 -5.899 42.786 55.496 1.00 58.41 C ATOM 171 CE1 HIS 318 -6.813 41.815 53.824 1.00 58.41 C ATOM 172 C HIS 318 -3.515 41.206 56.924 1.00 58.41 C ATOM 173 O HIS 318 -2.989 41.186 55.813 1.00 58.41 O ATOM 174 N MET 319 -3.179 42.116 57.854 1.00 77.58 N ATOM 175 CA MET 319 -2.283 43.200 57.563 1.00 77.58 C ATOM 176 CB MET 319 -2.094 44.155 58.756 1.00 77.58 C ATOM 177 CG MET 319 -3.337 44.999 59.057 1.00 77.58 C ATOM 178 SD MET 319 -3.177 46.127 60.473 1.00 77.58 S ATOM 179 CE MET 319 -3.354 44.824 61.725 1.00 77.58 C ATOM 180 C MET 319 -0.936 42.674 57.178 1.00 77.58 C ATOM 181 O MET 319 -0.280 43.226 56.297 1.00 77.58 O ATOM 182 N LYS 320 -0.491 41.578 57.813 1.00 79.43 N ATOM 183 CA LYS 320 0.823 41.073 57.545 1.00 79.43 C ATOM 184 CB LYS 320 1.160 39.786 58.318 1.00 79.43 C ATOM 185 CG LYS 320 1.251 39.963 59.835 1.00 79.43 C ATOM 186 CD LYS 320 1.426 38.644 60.594 1.00 79.43 C ATOM 187 CE LYS 320 0.333 37.618 60.291 1.00 79.43 C ATOM 188 NZ LYS 320 0.590 36.371 61.042 1.00 79.43 N ATOM 189 C LYS 320 0.910 40.741 56.095 1.00 79.43 C ATOM 190 O LYS 320 1.967 40.886 55.483 1.00 79.43 O ATOM 191 N LEU 321 -0.206 40.303 55.493 1.00 51.12 N ATOM 192 CA LEU 321 -0.169 39.859 54.133 1.00 51.12 C ATOM 193 CB LEU 321 -1.571 39.485 53.626 1.00 51.12 C ATOM 194 CG LEU 321 -2.279 38.431 54.506 1.00 51.12 C ATOM 195 CD1 LEU 321 -3.655 38.047 53.937 1.00 51.12 C ATOM 196 CD2 LEU 321 -1.378 37.215 54.773 1.00 51.12 C ATOM 197 C LEU 321 0.348 40.970 53.270 1.00 51.12 C ATOM 198 O LEU 321 1.235 40.756 52.445 1.00 51.12 O ATOM 199 N HIS 322 -0.185 42.193 53.438 1.00 48.72 N ATOM 200 CA HIS 322 0.266 43.300 52.645 1.00 48.72 C ATOM 201 ND1 HIS 322 -2.419 44.181 51.027 1.00 48.72 N ATOM 202 CG HIS 322 -2.043 44.288 52.348 1.00 48.72 C ATOM 203 CB HIS 322 -0.633 44.540 52.803 1.00 48.72 C ATOM 204 NE2 HIS 322 -4.266 43.907 52.235 1.00 48.72 N ATOM 205 CD2 HIS 322 -3.185 44.118 53.072 1.00 48.72 C ATOM 206 CE1 HIS 322 -3.757 43.953 51.017 1.00 48.72 C ATOM 207 C HIS 322 1.670 43.669 53.027 1.00 48.72 C ATOM 208 O HIS 322 2.511 43.916 52.163 1.00 48.72 O ATOM 209 N ASN 323 1.966 43.684 54.342 1.00 74.49 N ATOM 210 CA ASN 323 3.247 44.120 54.826 1.00 74.49 C ATOM 211 CB ASN 323 3.351 44.129 56.359 1.00 74.49 C ATOM 212 CG ASN 323 4.642 44.844 56.728 1.00 74.49 C ATOM 213 OD1 ASN 323 4.635 46.032 57.050 1.00 74.49 O ATOM 214 ND2 ASN 323 5.783 44.104 56.678 1.00 74.49 N ATOM 215 C ASN 323 4.313 43.217 54.307 1.00 74.49 C ATOM 216 O ASN 323 5.405 43.667 53.971 1.00 74.49 O ATOM 217 N GLY 324 4.011 41.911 54.217 1.00 13.24 N ATOM 218 CA GLY 324 4.993 40.984 53.758 1.00 13.24 C ATOM 219 C GLY 324 5.664 40.426 54.965 1.00 13.24 C ATOM 220 O GLY 324 6.642 39.687 54.852 1.00 13.24 O ATOM 221 N GLU 325 5.151 40.783 56.161 1.00 52.14 N ATOM 222 CA GLU 325 5.710 40.256 57.368 1.00 52.14 C ATOM 223 CB GLU 325 4.929 40.643 58.644 1.00 52.14 C ATOM 224 CG GLU 325 5.043 42.127 59.005 1.00 52.14 C ATOM 225 CD GLU 325 4.265 42.373 60.292 1.00 52.14 C ATOM 226 OE1 GLU 325 3.091 41.927 60.377 1.00 52.14 O ATOM 227 OE2 GLU 325 4.844 43.010 61.213 1.00 52.14 O ATOM 228 C GLU 325 5.640 38.744 57.222 1.00 52.14 C ATOM 229 O GLU 325 4.504 38.207 57.128 1.00 52.14 O ATOM 230 OXT GLU 325 6.726 38.107 57.196 1.00 52.14 O