EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:16:51 REMARK 6 MODELLER OBJECTIVE FUNCTION: 112.1718 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 54.545 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1064.63586 REMARK 6 GA341 score: 0.97945 REMARK 6 Normalized DOPE score: -0.96490 REMARK 6 TEMPLATE: 2i13A02 75:A - 96:A MODELS 1: - 22: AT 54.5% ATOM 1 N GLU 287 -18.733 17.906 45.920 1.00 40.77 N ATOM 2 CA GLU 287 -18.602 19.134 46.743 1.00 40.77 C ATOM 3 CB GLU 287 -19.190 18.921 48.148 1.00 40.77 C ATOM 4 CG GLU 287 -19.252 20.202 48.984 1.00 40.77 C ATOM 5 CD GLU 287 -19.195 19.818 50.458 1.00 40.77 C ATOM 6 OE1 GLU 287 -19.858 18.826 50.852 1.00 40.77 O ATOM 7 OE2 GLU 287 -18.467 20.517 51.213 1.00 40.77 O ATOM 8 C GLU 287 -17.168 19.501 46.942 1.00 40.77 C ATOM 9 O GLU 287 -16.259 18.741 46.613 1.00 40.77 O ATOM 10 N LYS 288 -16.929 20.715 47.471 1.00123.05 N ATOM 11 CA LYS 288 -15.587 21.118 47.760 1.00123.05 C ATOM 12 CB LYS 288 -15.250 22.509 47.205 1.00123.05 C ATOM 13 CG LYS 288 -15.769 22.726 45.786 1.00123.05 C ATOM 14 CD LYS 288 -17.286 22.941 45.745 1.00123.05 C ATOM 15 CE LYS 288 -17.848 23.134 44.335 1.00123.05 C ATOM 16 NZ LYS 288 -17.152 24.257 43.667 1.00123.05 N ATOM 17 C LYS 288 -15.560 21.246 49.248 1.00123.05 C ATOM 18 O LYS 288 -16.036 22.237 49.800 1.00123.05 O ATOM 19 N PRO 289 -15.044 20.256 49.913 1.00108.07 N ATOM 20 CA PRO 289 -15.064 20.302 51.350 1.00108.07 C ATOM 21 CD PRO 289 -15.203 18.898 49.417 1.00108.07 C ATOM 22 CB PRO 289 -14.866 18.863 51.824 1.00108.07 C ATOM 23 CG PRO 289 -15.433 18.025 50.662 1.00108.07 C ATOM 24 C PRO 289 -14.168 21.298 52.020 1.00108.07 C ATOM 25 O PRO 289 -14.483 21.697 53.141 1.00108.07 O ATOM 26 N PHE 290 -13.059 21.726 51.388 1.00 56.88 N ATOM 27 CA PHE 290 -12.186 22.606 52.107 1.00 56.88 C ATOM 28 CB PHE 290 -10.705 22.205 52.016 1.00 56.88 C ATOM 29 CG PHE 290 -10.600 20.934 52.788 1.00 56.88 C ATOM 30 CD1 PHE 290 -10.458 20.969 54.156 1.00 56.88 C ATOM 31 CD2 PHE 290 -10.667 19.713 52.157 1.00 56.88 C ATOM 32 CE1 PHE 290 -10.362 19.809 54.888 1.00 56.88 C ATOM 33 CE2 PHE 290 -10.571 18.548 52.884 1.00 56.88 C ATOM 34 CZ PHE 290 -10.421 18.593 54.251 1.00 56.88 C ATOM 35 C PHE 290 -12.355 24.000 51.607 1.00 56.88 C ATOM 36 O PHE 290 -12.271 24.262 50.409 1.00 56.88 O ATOM 37 N THR 291 -12.611 24.941 52.540 1.00104.76 N ATOM 38 CA THR 291 -12.813 26.306 52.149 1.00104.76 C ATOM 39 CB THR 291 -14.141 26.876 52.563 1.00104.76 C ATOM 40 OG1 THR 291 -14.258 26.880 53.978 1.00104.76 O ATOM 41 CG2 THR 291 -15.270 26.044 51.934 1.00104.76 C ATOM 42 C THR 291 -11.763 27.143 52.801 1.00104.76 C ATOM 43 O THR 291 -11.303 26.853 53.902 1.00104.76 O ATOM 44 N CYS 292 -11.350 28.222 52.111 1.00 92.84 N ATOM 45 CA CYS 292 -10.354 29.086 52.670 1.00 92.84 C ATOM 46 CB CYS 292 -9.424 29.707 51.614 1.00 92.84 C ATOM 47 SG CYS 292 -10.344 30.727 50.429 1.00 92.84 S ATOM 48 C CYS 292 -11.079 30.189 53.366 1.00 92.84 C ATOM 49 O CYS 292 -11.975 30.820 52.809 1.00 92.84 O ATOM 50 N PRO 293 -10.740 30.430 54.590 1.00 74.88 N ATOM 51 CA PRO 293 -11.443 31.454 55.299 1.00 74.88 C ATOM 52 CD PRO 293 -10.309 29.358 55.468 1.00 74.88 C ATOM 53 CB PRO 293 -11.091 31.260 56.765 1.00 74.88 C ATOM 54 CG PRO 293 -10.831 29.747 56.861 1.00 74.88 C ATOM 55 C PRO 293 -11.181 32.821 54.766 1.00 74.88 C ATOM 56 O PRO 293 -12.005 33.702 54.999 1.00 74.88 O ATOM 57 N LYS 294 -10.026 33.045 54.109 1.00111.72 N ATOM 58 CA LYS 294 -9.763 34.370 53.634 1.00111.72 C ATOM 59 CB LYS 294 -8.330 34.499 53.087 1.00111.72 C ATOM 60 CG LYS 294 -7.273 34.043 54.098 1.00111.72 C ATOM 61 CD LYS 294 -5.844 34.002 53.553 1.00111.72 C ATOM 62 CE LYS 294 -4.982 35.170 54.048 1.00111.72 C ATOM 63 NZ LYS 294 -3.596 35.054 53.535 1.00111.72 N ATOM 64 C LYS 294 -10.710 34.730 52.521 1.00111.72 C ATOM 65 O LYS 294 -11.525 35.646 52.656 1.00111.72 O ATOM 66 N CYS 295 -10.602 33.995 51.391 1.00108.22 N ATOM 67 CA CYS 295 -11.353 34.196 50.174 1.00108.22 C ATOM 68 CB CYS 295 -10.776 33.403 48.996 1.00108.22 C ATOM 69 SG CYS 295 -8.984 33.568 48.810 1.00108.22 S ATOM 70 C CYS 295 -12.765 33.700 50.280 1.00108.22 C ATOM 71 O CYS 295 -13.699 34.370 49.845 1.00108.22 O ATOM 72 N GLY 296 -12.947 32.496 50.868 1.00 32.55 N ATOM 73 CA GLY 296 -14.228 31.844 50.914 1.00 32.55 C ATOM 74 C GLY 296 -14.274 30.849 49.788 1.00 32.55 C ATOM 75 O GLY 296 -15.276 30.171 49.576 1.00 32.55 O ATOM 76 N LYS 297 -13.163 30.740 49.034 1.00106.94 N ATOM 77 CA LYS 297 -13.060 29.847 47.912 1.00106.94 C ATOM 78 CB LYS 297 -11.759 30.097 47.127 1.00106.94 C ATOM 79 CG LYS 297 -11.619 29.334 45.811 1.00106.94 C ATOM 80 CD LYS 297 -12.433 29.933 44.666 1.00106.94 C ATOM 81 CE LYS 297 -12.053 29.397 43.284 1.00106.94 C ATOM 82 NZ LYS 297 -12.861 30.056 42.233 1.00106.94 N ATOM 83 C LYS 297 -13.028 28.435 48.434 1.00106.94 C ATOM 84 O LYS 297 -12.429 28.163 49.473 1.00106.94 O ATOM 85 N SER 298 -13.675 27.486 47.717 1.00101.35 N ATOM 86 CA SER 298 -13.715 26.132 48.201 1.00101.35 C ATOM 87 CB SER 298 -15.146 25.610 48.419 1.00101.35 C ATOM 88 OG SER 298 -15.867 25.600 47.198 1.00101.35 O ATOM 89 C SER 298 -13.014 25.237 47.221 1.00101.35 C ATOM 90 O SER 298 -13.004 25.510 46.018 1.00101.35 O ATOM 91 N PHE 299 -12.404 24.135 47.717 1.00152.58 N ATOM 92 CA PHE 299 -11.607 23.285 46.871 1.00152.58 C ATOM 93 CB PHE 299 -10.099 23.428 47.146 1.00152.58 C ATOM 94 CG PHE 299 -9.647 24.792 46.753 1.00152.58 C ATOM 95 CD1 PHE 299 -9.804 25.860 47.608 1.00152.58 C ATOM 96 CD2 PHE 299 -9.074 25.003 45.522 1.00152.58 C ATOM 97 CE1 PHE 299 -9.385 27.118 47.247 1.00152.58 C ATOM 98 CE2 PHE 299 -8.652 26.257 45.154 1.00152.58 C ATOM 99 CZ PHE 299 -8.808 27.317 46.015 1.00152.58 C ATOM 100 C PHE 299 -11.931 21.844 47.132 1.00152.58 C ATOM 101 O PHE 299 -12.376 21.466 48.216 1.00152.58 O ATOM 102 N ARG 300 -11.745 21.014 46.086 1.00102.92 N ATOM 103 CA ARG 300 -11.927 19.591 46.131 1.00102.92 C ATOM 104 CB ARG 300 -11.827 18.931 44.738 1.00102.92 C ATOM 105 CG ARG 300 -12.802 19.497 43.699 1.00102.92 C ATOM 106 CD ARG 300 -12.948 18.643 42.431 1.00102.92 C ATOM 107 NE ARG 300 -11.582 18.335 41.916 1.00102.92 N ATOM 108 CZ ARG 300 -11.287 18.499 40.594 1.00102.92 C ATOM 109 NH1 ARG 300 -12.241 18.966 39.739 1.00102.92 N ATOM 110 NH2 ARG 300 -10.032 18.211 40.135 1.00102.92 N ATOM 111 C ARG 300 -10.823 18.995 46.953 1.00102.92 C ATOM 112 O ARG 300 -11.044 18.039 47.698 1.00102.92 O ATOM 113 N LYS 301 -9.603 19.566 46.828 1.00132.40 N ATOM 114 CA LYS 301 -8.406 19.005 47.403 1.00132.40 C ATOM 115 CB LYS 301 -7.240 18.996 46.398 1.00132.40 C ATOM 116 CG LYS 301 -7.485 18.188 45.125 1.00132.40 C ATOM 117 CD LYS 301 -7.560 16.683 45.359 1.00132.40 C ATOM 118 CE LYS 301 -6.259 16.118 45.929 1.00132.40 C ATOM 119 NZ LYS 301 -6.297 14.640 45.903 1.00132.40 N ATOM 120 C LYS 301 -7.908 19.842 48.545 1.00132.40 C ATOM 121 O LYS 301 -7.946 21.070 48.503 1.00132.40 O ATOM 122 N SER 302 -7.409 19.175 49.608 1.00 75.86 N ATOM 123 CA SER 302 -6.865 19.876 50.735 1.00 75.86 C ATOM 124 CB SER 302 -6.499 18.959 51.910 1.00 75.86 C ATOM 125 OG SER 302 -5.344 18.204 51.581 1.00 75.86 O ATOM 126 C SER 302 -5.586 20.524 50.307 1.00 75.86 C ATOM 127 O SER 302 -5.301 21.663 50.673 1.00 75.86 O ATOM 128 N SER 303 -4.784 19.797 49.506 1.00 70.12 N ATOM 129 CA SER 303 -3.498 20.269 49.076 1.00 70.12 C ATOM 130 CB SER 303 -2.755 19.229 48.221 1.00 70.12 C ATOM 131 OG SER 303 -2.429 18.106 49.023 1.00 70.12 O ATOM 132 C SER 303 -3.674 21.501 48.252 1.00 70.12 C ATOM 133 O SER 303 -2.924 22.467 48.396 1.00 70.12 O ATOM 134 N SER 304 -4.688 21.504 47.368 1.00 64.47 N ATOM 135 CA SER 304 -4.920 22.631 46.515 1.00 64.47 C ATOM 136 CB SER 304 -6.058 22.369 45.511 1.00 64.47 C ATOM 137 OG SER 304 -7.250 22.029 46.202 1.00 64.47 O ATOM 138 C SER 304 -5.278 23.813 47.365 1.00 64.47 C ATOM 139 O SER 304 -4.872 24.937 47.079 1.00 64.47 O ATOM 140 N LEU 305 -6.052 23.582 48.440 1.00105.66 N ATOM 141 CA LEU 305 -6.454 24.640 49.321 1.00105.66 C ATOM 142 CB LEU 305 -7.413 24.113 50.409 1.00105.66 C ATOM 143 CG LEU 305 -8.029 25.164 51.357 1.00105.66 C ATOM 144 CD1 LEU 305 -6.977 25.826 52.260 1.00105.66 C ATOM 145 CD2 LEU 305 -8.873 26.191 50.585 1.00105.66 C ATOM 146 C LEU 305 -5.226 25.188 49.985 1.00105.66 C ATOM 147 O LEU 305 -5.034 26.403 50.064 1.00105.66 O ATOM 148 N ASN 306 -4.340 24.292 50.454 1.00 65.79 N ATOM 149 CA ASN 306 -3.167 24.667 51.191 1.00 65.79 C ATOM 150 CB ASN 306 -2.349 23.435 51.616 1.00 65.79 C ATOM 151 CG ASN 306 -1.443 23.821 52.773 1.00 65.79 C ATOM 152 OD1 ASN 306 -0.336 24.320 52.578 1.00 65.79 O ATOM 153 ND2 ASN 306 -1.932 23.587 54.020 1.00 65.79 N ATOM 154 C ASN 306 -2.306 25.503 50.310 1.00 65.79 C ATOM 155 O ASN 306 -1.799 26.545 50.720 1.00 65.79 O ATOM 156 N GLU 307 -2.132 25.059 49.057 1.00 65.44 N ATOM 157 CA GLU 307 -1.319 25.773 48.126 1.00 65.44 C ATOM 158 CB GLU 307 -1.229 25.052 46.780 1.00 65.44 C ATOM 159 CG GLU 307 -0.435 25.819 45.731 1.00 65.44 C ATOM 160 CD GLU 307 -0.598 25.045 44.433 1.00 65.44 C ATOM 161 OE1 GLU 307 -1.161 23.917 44.486 1.00 65.44 O ATOM 162 OE2 GLU 307 -0.167 25.565 43.372 1.00 65.44 O ATOM 163 C GLU 307 -1.963 27.094 47.877 1.00 65.44 C ATOM 164 O GLU 307 -1.294 28.124 47.822 1.00 65.44 O ATOM 165 N HIS 308 -3.301 27.079 47.731 1.00 42.10 N ATOM 166 CA HIS 308 -4.072 28.255 47.463 1.00 42.10 C ATOM 167 ND1 HIS 308 -6.818 29.715 46.186 1.00 42.10 N ATOM 168 CG HIS 308 -6.414 29.240 47.415 1.00 42.10 C ATOM 169 CB HIS 308 -5.580 28.009 47.628 1.00 42.10 C ATOM 170 NE2 HIS 308 -7.641 31.110 47.711 1.00 42.10 N ATOM 171 CD2 HIS 308 -6.924 30.103 48.334 1.00 42.10 C ATOM 172 CE1 HIS 308 -7.549 30.835 46.423 1.00 42.10 C ATOM 173 C HIS 308 -3.661 29.367 48.418 1.00 42.10 C ATOM 174 O HIS 308 -3.658 29.140 49.657 1.00 42.10 O ATOM 175 OXT HIS 308 -3.340 30.474 47.911 1.00 42.10 O