EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:16:33 REMARK 6 MODELLER OBJECTIVE FUNCTION: 123.0449 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 58.621 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -2056.07251 REMARK 6 GA341 score: 0.99987 REMARK 6 Normalized DOPE score: -1.78581 REMARK 6 TEMPLATE: 2i13A02 75:A - 103:A MODELS 1: - 29: AT 58.6% ATOM 1 N GLU 254 0.083 31.171 41.861 1.00 62.85 N ATOM 2 CA GLU 254 -1.037 31.331 40.907 1.00 62.85 C ATOM 3 CB GLU 254 -1.009 30.210 39.859 1.00 62.85 C ATOM 4 CG GLU 254 0.195 30.227 38.923 1.00 62.85 C ATOM 5 CD GLU 254 0.079 28.976 38.065 1.00 62.85 C ATOM 6 OE1 GLU 254 -0.829 28.151 38.354 1.00 62.85 O ATOM 7 OE2 GLU 254 0.892 28.822 37.116 1.00 62.85 O ATOM 8 C GLU 254 -2.340 31.195 41.621 1.00 62.85 C ATOM 9 O GLU 254 -2.397 31.163 42.849 1.00 62.85 O ATOM 10 N LYS 255 -3.435 31.138 40.840 1.00 81.17 N ATOM 11 CA LYS 255 -4.732 30.900 41.397 1.00 81.17 C ATOM 12 CB LYS 255 -5.767 31.966 41.014 1.00 81.17 C ATOM 13 CG LYS 255 -5.439 33.378 41.504 1.00 81.17 C ATOM 14 CD LYS 255 -6.283 34.451 40.816 1.00 81.17 C ATOM 15 CE LYS 255 -5.983 35.873 41.283 1.00 81.17 C ATOM 16 NZ LYS 255 -4.849 36.420 40.505 1.00 81.17 N ATOM 17 C LYS 255 -5.203 29.642 40.742 1.00 81.17 C ATOM 18 O LYS 255 -5.755 29.672 39.644 1.00 81.17 O ATOM 19 N PRO 256 -4.980 28.535 41.388 1.00108.64 N ATOM 20 CA PRO 256 -5.339 27.262 40.819 1.00108.64 C ATOM 21 CD PRO 256 -3.831 28.437 42.271 1.00108.64 C ATOM 22 CB PRO 256 -4.582 26.216 41.630 1.00108.64 C ATOM 23 CG PRO 256 -3.356 26.980 42.163 1.00108.64 C ATOM 24 C PRO 256 -6.805 26.975 40.745 1.00108.64 C ATOM 25 O PRO 256 -7.194 26.124 39.945 1.00108.64 O ATOM 26 N PHE 257 -7.641 27.643 41.562 1.00 62.48 N ATOM 27 CA PHE 257 -9.023 27.258 41.572 1.00 62.48 C ATOM 28 CB PHE 257 -9.614 27.190 42.995 1.00 62.48 C ATOM 29 CG PHE 257 -8.846 26.180 43.776 1.00 62.48 C ATOM 30 CD1 PHE 257 -9.107 24.837 43.626 1.00 62.48 C ATOM 31 CD2 PHE 257 -7.872 26.574 44.665 1.00 62.48 C ATOM 32 CE1 PHE 257 -8.398 23.901 44.346 1.00 62.48 C ATOM 33 CE2 PHE 257 -7.161 25.645 45.388 1.00 62.48 C ATOM 34 CZ PHE 257 -7.423 24.305 45.226 1.00 62.48 C ATOM 35 C PHE 257 -9.828 28.278 40.832 1.00 62.48 C ATOM 36 O PHE 257 -9.894 29.435 41.243 1.00 62.48 O ATOM 37 N THR 258 -10.503 27.865 39.738 1.00101.88 N ATOM 38 CA THR 258 -11.284 28.816 38.997 1.00101.88 C ATOM 39 CB THR 258 -10.999 28.844 37.522 1.00101.88 C ATOM 40 OG1 THR 258 -11.715 29.908 36.915 1.00101.88 O ATOM 41 CG2 THR 258 -11.427 27.505 36.902 1.00101.88 C ATOM 42 C THR 258 -12.734 28.478 39.151 1.00101.88 C ATOM 43 O THR 258 -13.120 27.310 39.172 1.00101.88 O ATOM 44 N CYS 259 -13.572 29.524 39.297 1.00 47.36 N ATOM 45 CA CYS 259 -14.994 29.367 39.433 1.00 47.36 C ATOM 46 CB CYS 259 -15.680 30.622 40.006 1.00 47.36 C ATOM 47 SG CYS 259 -17.479 30.443 40.185 1.00 47.36 S ATOM 48 C CYS 259 -15.574 29.119 38.079 1.00 47.36 C ATOM 49 O CYS 259 -15.315 29.861 37.134 1.00 47.36 O ATOM 50 N PRO 260 -16.356 28.087 37.956 1.00 72.76 N ATOM 51 CA PRO 260 -16.942 27.800 36.678 1.00 72.76 C ATOM 52 CD PRO 260 -16.131 26.877 38.730 1.00 72.76 C ATOM 53 CB PRO 260 -17.535 26.400 36.797 1.00 72.76 C ATOM 54 CG PRO 260 -16.633 25.721 37.842 1.00 72.76 C ATOM 55 C PRO 260 -17.914 28.837 36.209 1.00 72.76 C ATOM 56 O PRO 260 -18.048 29.009 34.997 1.00 72.76 O ATOM 57 N GLN 261 -18.656 29.491 37.128 1.00159.99 N ATOM 58 CA GLN 261 -19.608 30.461 36.660 1.00159.99 C ATOM 59 CB GLN 261 -20.619 30.891 37.744 1.00159.99 C ATOM 60 CG GLN 261 -21.788 29.926 37.965 1.00159.99 C ATOM 61 CD GLN 261 -21.318 28.670 38.681 1.00159.99 C ATOM 62 OE1 GLN 261 -21.986 27.637 38.641 1.00159.99 O ATOM 63 NE2 GLN 261 -20.133 28.752 39.343 1.00159.99 N ATOM 64 C GLN 261 -18.971 31.721 36.141 1.00159.99 C ATOM 65 O GLN 261 -19.164 32.098 34.986 1.00159.99 O ATOM 66 N CYS 262 -18.226 32.413 37.026 1.00115.50 N ATOM 67 CA CYS 262 -17.587 33.687 36.813 1.00115.50 C ATOM 68 CB CYS 262 -17.285 34.349 38.165 1.00115.50 C ATOM 69 SG CYS 262 -16.425 35.932 38.012 1.00115.50 S ATOM 70 C CYS 262 -16.302 33.614 36.038 1.00115.50 C ATOM 71 O CYS 262 -16.039 34.452 35.178 1.00115.50 O ATOM 72 N GLY 263 -15.451 32.611 36.329 1.00 26.55 N ATOM 73 CA GLY 263 -14.160 32.545 35.708 1.00 26.55 C ATOM 74 C GLY 263 -13.155 33.162 36.639 1.00 26.55 C ATOM 75 O GLY 263 -11.978 33.265 36.301 1.00 26.55 O ATOM 76 N LYS 264 -13.598 33.587 37.842 1.00121.42 N ATOM 77 CA LYS 264 -12.750 34.195 38.839 1.00121.42 C ATOM 78 CB LYS 264 -13.578 34.766 40.007 1.00121.42 C ATOM 79 CG LYS 264 -12.792 35.541 41.067 1.00121.42 C ATOM 80 CD LYS 264 -12.377 36.949 40.641 1.00121.42 C ATOM 81 CE LYS 264 -11.745 37.771 41.767 1.00121.42 C ATOM 82 NZ LYS 264 -12.744 38.046 42.826 1.00121.42 N ATOM 83 C LYS 264 -11.834 33.133 39.393 1.00121.42 C ATOM 84 O LYS 264 -12.255 31.996 39.599 1.00121.42 O ATOM 85 N ASN 265 -10.553 33.487 39.662 1.00 60.91 N ATOM 86 CA ASN 265 -9.581 32.521 40.111 1.00 60.91 C ATOM 87 CB ASN 265 -8.275 32.567 39.301 1.00 60.91 C ATOM 88 CG ASN 265 -8.590 32.303 37.839 1.00 60.91 C ATOM 89 OD1 ASN 265 -9.697 31.900 37.487 1.00 60.91 O ATOM 90 ND2 ASN 265 -7.584 32.554 36.960 1.00 60.91 N ATOM 91 C ASN 265 -9.195 32.825 41.531 1.00 60.91 C ATOM 92 O ASN 265 -9.140 33.986 41.931 1.00 60.91 O ATOM 93 N PHE 266 -8.905 31.774 42.336 1.00144.56 N ATOM 94 CA PHE 266 -8.563 31.983 43.722 1.00144.56 C ATOM 95 CB PHE 266 -9.698 31.580 44.683 1.00144.56 C ATOM 96 CG PHE 266 -10.845 32.509 44.456 1.00144.56 C ATOM 97 CD1 PHE 266 -11.798 32.217 43.508 1.00144.56 C ATOM 98 CD2 PHE 266 -10.967 33.672 45.180 1.00144.56 C ATOM 99 CE1 PHE 266 -12.857 33.069 43.288 1.00144.56 C ATOM 100 CE2 PHE 266 -12.025 34.528 44.966 1.00144.56 C ATOM 101 CZ PHE 266 -12.974 34.228 44.017 1.00144.56 C ATOM 102 C PHE 266 -7.359 31.161 44.087 1.00144.56 C ATOM 103 O PHE 266 -7.089 30.114 43.499 1.00144.56 O ATOM 104 N SER 267 -6.575 31.662 45.065 1.00 40.07 N ATOM 105 CA SER 267 -5.406 30.974 45.533 1.00 40.07 C ATOM 106 CB SER 267 -4.479 31.864 46.380 1.00 40.07 C ATOM 107 OG SER 267 -5.096 32.172 47.620 1.00 40.07 O ATOM 108 C SER 267 -5.816 29.810 46.387 1.00 40.07 C ATOM 109 O SER 267 -5.078 28.830 46.482 1.00 40.07 O ATOM 110 N LEU 268 -6.996 29.875 47.042 1.00 47.60 N ATOM 111 CA LEU 268 -7.350 28.803 47.938 1.00 47.60 C ATOM 112 CB LEU 268 -7.494 29.260 49.402 1.00 47.60 C ATOM 113 CG LEU 268 -6.202 29.820 50.027 1.00 47.60 C ATOM 114 CD1 LEU 268 -6.439 30.266 51.476 1.00 47.60 C ATOM 115 CD2 LEU 268 -5.042 28.818 49.920 1.00 47.60 C ATOM 116 C LEU 268 -8.677 28.207 47.558 1.00 47.60 C ATOM 117 O LEU 268 -9.592 28.902 47.117 1.00 47.60 O ATOM 118 N SER 269 -8.810 26.875 47.747 1.00 71.76 N ATOM 119 CA SER 269 -10.018 26.159 47.441 1.00 71.76 C ATOM 120 CB SER 269 -9.885 24.636 47.613 1.00 71.76 C ATOM 121 OG SER 269 -9.688 24.302 48.979 1.00 71.76 O ATOM 122 C SER 269 -11.122 26.607 48.354 1.00 71.76 C ATOM 123 O SER 269 -12.273 26.732 47.939 1.00 71.76 O ATOM 124 N THR 270 -10.798 26.870 49.633 1.00 92.50 N ATOM 125 CA THR 270 -11.785 27.259 50.601 1.00 92.50 C ATOM 126 CB THR 270 -11.207 27.422 51.982 1.00 92.50 C ATOM 127 OG1 THR 270 -12.239 27.673 52.925 1.00 92.50 O ATOM 128 CG2 THR 270 -10.186 28.575 51.980 1.00 92.50 C ATOM 129 C THR 270 -12.404 28.561 50.197 1.00 92.50 C ATOM 130 O THR 270 -13.616 28.737 50.325 1.00 92.50 O ATOM 131 N SER 271 -11.580 29.511 49.710 1.00 68.18 N ATOM 132 CA SER 271 -12.066 30.808 49.335 1.00 68.18 C ATOM 133 CB SER 271 -10.937 31.800 48.988 1.00 68.18 C ATOM 134 OG SER 271 -10.265 31.389 47.807 1.00 68.18 O ATOM 135 C SER 271 -12.953 30.671 48.138 1.00 68.18 C ATOM 136 O SER 271 -13.963 31.361 48.027 1.00 68.18 O ATOM 137 N LEU 272 -12.602 29.767 47.206 1.00104.09 N ATOM 138 CA LEU 272 -13.377 29.589 46.014 1.00104.09 C ATOM 139 CB LEU 272 -12.724 28.563 45.065 1.00104.09 C ATOM 140 CG LEU 272 -13.474 28.303 43.743 1.00104.09 C ATOM 141 CD1 LEU 272 -14.783 27.526 43.946 1.00104.09 C ATOM 142 CD2 LEU 272 -13.696 29.611 42.974 1.00104.09 C ATOM 143 C LEU 272 -14.728 29.091 46.424 1.00104.09 C ATOM 144 O LEU 272 -15.754 29.508 45.887 1.00104.09 O ATOM 145 N ASN 273 -14.756 28.182 47.411 1.00 72.67 N ATOM 146 CA ASN 273 -15.984 27.590 47.856 1.00 72.67 C ATOM 147 CB ASN 273 -15.769 26.556 48.969 1.00 72.67 C ATOM 148 CG ASN 273 -17.116 25.899 49.215 1.00 72.67 C ATOM 149 OD1 ASN 273 -18.040 26.520 49.738 1.00 72.67 O ATOM 150 ND2 ASN 273 -17.241 24.612 48.798 1.00 72.67 N ATOM 151 C ASN 273 -16.894 28.650 48.395 1.00 72.67 C ATOM 152 O ASN 273 -18.098 28.612 48.148 1.00 72.67 O ATOM 153 N TYR 274 -16.348 29.625 49.146 1.00 82.76 N ATOM 154 CA TYR 274 -17.166 30.662 49.715 1.00 82.76 C ATOM 155 CB TYR 274 -16.360 31.695 50.534 1.00 82.76 C ATOM 156 CG TYR 274 -17.309 32.691 51.126 1.00 82.76 C ATOM 157 CD1 TYR 274 -17.883 32.452 52.355 1.00 82.76 C ATOM 158 CD2 TYR 274 -17.629 33.859 50.466 1.00 82.76 C ATOM 159 CE1 TYR 274 -18.755 33.355 52.912 1.00 82.76 C ATOM 160 CE2 TYR 274 -18.502 34.768 51.016 1.00 82.76 C ATOM 161 CZ TYR 274 -19.065 34.513 52.243 1.00 82.76 C ATOM 162 OH TYR 274 -19.962 35.440 52.813 1.00 82.76 O ATOM 163 C TYR 274 -17.765 31.415 48.575 1.00 82.76 C ATOM 164 O TYR 274 -18.948 31.752 48.585 1.00 82.76 O ATOM 165 N HIS 275 -16.936 31.676 47.548 1.00 62.78 N ATOM 166 CA HIS 275 -17.300 32.450 46.395 1.00 62.78 C ATOM 167 ND1 HIS 275 -16.604 34.671 44.062 1.00 62.78 N ATOM 168 CG HIS 275 -16.464 33.305 44.136 1.00 62.78 C ATOM 169 CB HIS 275 -16.132 32.553 45.391 1.00 62.78 C ATOM 170 NE2 HIS 275 -16.958 33.886 42.011 1.00 62.78 N ATOM 171 CD2 HIS 275 -16.683 32.841 42.874 1.00 62.78 C ATOM 172 CE1 HIS 275 -16.900 34.965 42.769 1.00 62.78 C ATOM 173 C HIS 275 -18.440 31.801 45.678 1.00 62.78 C ATOM 174 O HIS 275 -19.385 32.472 45.265 1.00 62.78 O ATOM 175 N MET 276 -18.387 30.468 45.524 1.00105.52 N ATOM 176 CA MET 276 -19.397 29.770 44.782 1.00105.52 C ATOM 177 CB MET 276 -19.117 28.267 44.642 1.00105.52 C ATOM 178 CG MET 276 -20.122 27.569 43.720 1.00105.52 C ATOM 179 SD MET 276 -19.717 25.845 43.306 1.00105.52 S ATOM 180 CE MET 276 -21.167 25.564 42.248 1.00105.52 C ATOM 181 C MET 276 -20.726 29.915 45.447 1.00105.52 C ATOM 182 O MET 276 -21.749 30.043 44.776 1.00105.52 O ATOM 183 N ARG 277 -20.750 29.915 46.789 1.00 94.16 N ATOM 184 CA ARG 277 -22.001 29.970 47.481 1.00 94.16 C ATOM 185 CB ARG 277 -21.875 29.903 49.015 1.00 94.16 C ATOM 186 CG ARG 277 -21.779 28.478 49.565 1.00 94.16 C ATOM 187 CD ARG 277 -21.750 28.415 51.098 1.00 94.16 C ATOM 188 NE ARG 277 -20.326 28.448 51.534 1.00 94.16 N ATOM 189 CZ ARG 277 -19.861 29.406 52.390 1.00 94.16 C ATOM 190 NH1 ARG 277 -20.659 30.441 52.787 1.00 94.16 N ATOM 191 NH2 ARG 277 -18.575 29.325 52.837 1.00 94.16 N ATOM 192 C ARG 277 -22.722 31.227 47.118 1.00 94.16 C ATOM 193 O ARG 277 -23.948 31.239 47.067 1.00 94.16 O ATOM 194 N ASN 278 -21.996 32.334 46.875 1.00 48.94 N ATOM 195 CA ASN 278 -22.674 33.564 46.573 1.00 48.94 C ATOM 196 CB ASN 278 -21.736 34.778 46.488 1.00 48.94 C ATOM 197 CG ASN 278 -21.390 35.150 47.924 1.00 48.94 C ATOM 198 OD1 ASN 278 -20.752 34.381 48.641 1.00 48.94 O ATOM 199 ND2 ASN 278 -21.838 36.357 48.362 1.00 48.94 N ATOM 200 C ASN 278 -23.464 33.452 45.295 1.00 48.94 C ATOM 201 O ASN 278 -24.585 33.953 45.219 1.00 48.94 O ATOM 202 N HIS 279 -22.925 32.797 44.248 1.00 41.68 N ATOM 203 CA HIS 279 -23.682 32.693 43.031 1.00 41.68 C ATOM 204 ND1 HIS 279 -21.743 33.893 40.714 1.00 41.68 N ATOM 205 CG HIS 279 -21.703 32.706 41.410 1.00 41.68 C ATOM 206 CB HIS 279 -22.924 31.978 41.898 1.00 41.68 C ATOM 207 NE2 HIS 279 -19.599 33.325 40.878 1.00 41.68 N ATOM 208 CD2 HIS 279 -20.385 32.373 41.502 1.00 41.68 C ATOM 209 CE1 HIS 279 -20.459 34.218 40.421 1.00 41.68 C ATOM 210 C HIS 279 -24.928 31.907 43.313 1.00 41.68 C ATOM 211 O HIS 279 -26.021 32.292 42.900 1.00 41.68 O ATOM 212 N THR 280 -24.793 30.788 44.054 1.00 40.53 N ATOM 213 CA THR 280 -25.902 29.931 44.373 1.00 40.53 C ATOM 214 CB THR 280 -25.505 28.666 45.079 1.00 40.53 C ATOM 215 OG1 THR 280 -24.893 28.956 46.325 1.00 40.53 O ATOM 216 CG2 THR 280 -24.541 27.875 44.181 1.00 40.53 C ATOM 217 C THR 280 -26.874 30.655 45.250 1.00 40.53 C ATOM 218 O THR 280 -28.082 30.461 45.124 1.00 40.53 O ATOM 219 N GLY 281 -26.387 31.526 46.154 1.00 17.85 N ATOM 220 CA GLY 281 -27.302 32.200 47.025 1.00 17.85 C ATOM 221 C GLY 281 -27.490 31.327 48.217 1.00 17.85 C ATOM 222 O GLY 281 -28.539 31.339 48.858 1.00 17.85 O ATOM 223 N GLU 282 -26.458 30.519 48.522 1.00 93.88 N ATOM 224 CA GLU 282 -26.498 29.641 49.650 1.00 93.88 C ATOM 225 CB GLU 282 -25.225 28.797 49.793 1.00 93.88 C ATOM 226 CG GLU 282 -25.446 27.509 50.579 1.00 93.88 C ATOM 227 CD GLU 282 -26.066 26.538 49.591 1.00 93.88 C ATOM 228 OE1 GLU 282 -26.383 26.990 48.458 1.00 93.88 O ATOM 229 OE2 GLU 282 -26.226 25.339 49.946 1.00 93.88 O ATOM 230 C GLU 282 -26.566 30.540 50.879 1.00 93.88 C ATOM 231 O GLU 282 -25.480 30.887 51.418 1.00 93.88 O ATOM 232 OXT GLU 282 -27.701 30.904 51.285 1.00 93.88 O