EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:19:21 REMARK 6 MODELLER OBJECTIVE FUNCTION: 113.4529 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 56.522 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1438.37915 REMARK 6 GA341 score: 0.99700 REMARK 6 Normalized DOPE score: -1.44095 REMARK 6 TEMPLATE: 2i13A02 75:A - 97:A MODELS 1: - 23: AT 56.5% ATOM 1 N GLU 330 -10.619 30.873 47.602 1.00 91.99 N ATOM 2 CA GLU 330 -11.398 31.099 48.839 1.00 91.99 C ATOM 3 CB GLU 330 -12.742 30.355 48.774 1.00 91.99 C ATOM 4 CG GLU 330 -13.653 30.810 47.635 1.00 91.99 C ATOM 5 CD GLU 330 -13.156 30.129 46.370 1.00 91.99 C ATOM 6 OE1 GLU 330 -13.365 28.891 46.242 1.00 91.99 O ATOM 7 OE2 GLU 330 -12.549 30.834 45.522 1.00 91.99 O ATOM 8 C GLU 330 -10.645 30.566 50.012 1.00 91.99 C ATOM 9 O GLU 330 -9.551 30.024 49.863 1.00 91.99 O ATOM 10 N LYS 331 -11.214 30.736 51.221 1.00 97.18 N ATOM 11 CA LYS 331 -10.577 30.238 52.405 1.00 97.18 C ATOM 12 CB LYS 331 -10.135 31.384 53.324 1.00 97.18 C ATOM 13 CG LYS 331 -9.380 32.475 52.563 1.00 97.18 C ATOM 14 CD LYS 331 -9.316 33.813 53.301 1.00 97.18 C ATOM 15 CE LYS 331 -8.927 34.974 52.388 1.00 97.18 C ATOM 16 NZ LYS 331 -7.642 34.674 51.720 1.00 97.18 N ATOM 17 C LYS 331 -11.646 29.489 53.138 1.00 97.18 C ATOM 18 O LYS 331 -12.356 30.051 53.971 1.00 97.18 O ATOM 19 N PRO 332 -11.790 28.233 52.829 1.00116.46 N ATOM 20 CA PRO 332 -12.833 27.455 53.450 1.00116.46 C ATOM 21 CD PRO 332 -11.564 27.819 51.453 1.00116.46 C ATOM 22 CB PRO 332 -13.033 26.237 52.553 1.00116.46 C ATOM 23 CG PRO 332 -12.606 26.728 51.161 1.00116.46 C ATOM 24 C PRO 332 -12.674 27.097 54.898 1.00116.46 C ATOM 25 O PRO 332 -13.684 26.766 55.519 1.00116.46 O ATOM 26 N TYR 333 -11.460 27.138 55.479 1.00125.32 N ATOM 27 CA TYR 333 -11.376 26.652 56.830 1.00125.32 C ATOM 28 CB TYR 333 -10.310 25.553 56.991 1.00125.32 C ATOM 29 CG TYR 333 -10.813 24.384 56.204 1.00125.32 C ATOM 30 CD1 TYR 333 -10.587 24.293 54.849 1.00125.32 C ATOM 31 CD2 TYR 333 -11.537 23.381 56.810 1.00125.32 C ATOM 32 CE1 TYR 333 -11.057 23.222 54.123 1.00125.32 C ATOM 33 CE2 TYR 333 -12.010 22.306 56.092 1.00125.32 C ATOM 34 CZ TYR 333 -11.769 22.224 54.741 1.00125.32 C ATOM 35 OH TYR 333 -12.250 21.127 53.994 1.00125.32 O ATOM 36 C TYR 333 -11.101 27.788 57.769 1.00125.32 C ATOM 37 O TYR 333 -10.118 28.509 57.631 1.00125.32 O ATOM 38 N THR 334 -11.982 27.958 58.781 1.00103.67 N ATOM 39 CA THR 334 -11.853 29.072 59.679 1.00103.67 C ATOM 40 CB THR 334 -13.105 29.891 59.781 1.00103.67 C ATOM 41 OG1 THR 334 -12.865 31.080 60.521 1.00103.67 O ATOM 42 CG2 THR 334 -14.187 29.037 60.467 1.00103.67 C ATOM 43 C THR 334 -11.531 28.596 61.063 1.00103.67 C ATOM 44 O THR 334 -12.008 27.554 61.513 1.00103.67 O ATOM 45 N CYS 335 -10.670 29.368 61.761 1.00 45.50 N ATOM 46 CA CYS 335 -10.265 29.077 63.109 1.00 45.50 C ATOM 47 CB CYS 335 -8.971 29.803 63.521 1.00 45.50 C ATOM 48 SG CYS 335 -8.446 29.444 65.225 1.00 45.50 S ATOM 49 C CYS 335 -11.347 29.528 64.034 1.00 45.50 C ATOM 50 O CYS 335 -11.867 30.639 63.915 1.00 45.50 O ATOM 51 N THR 336 -11.714 28.673 65.001 1.00108.37 N ATOM 52 CA THR 336 -12.764 29.028 65.908 1.00108.37 C ATOM 53 CB THR 336 -13.156 27.894 66.818 1.00108.37 C ATOM 54 OG1 THR 336 -14.314 28.244 67.560 1.00108.37 O ATOM 55 CG2 THR 336 -11.998 27.555 67.774 1.00108.37 C ATOM 56 C THR 336 -12.352 30.191 66.764 1.00108.37 C ATOM 57 O THR 336 -13.157 31.087 67.024 1.00108.37 O ATOM 58 N GLU 337 -11.103 30.188 67.270 1.00 95.78 N ATOM 59 CA GLU 337 -10.725 31.223 68.193 1.00 95.78 C ATOM 60 CB GLU 337 -9.356 30.967 68.838 1.00 95.78 C ATOM 61 CG GLU 337 -9.331 29.831 69.857 1.00 95.78 C ATOM 62 CD GLU 337 -7.884 29.665 70.288 1.00 95.78 C ATOM 63 OE1 GLU 337 -7.085 29.114 69.483 1.00 95.78 O ATOM 64 OE2 GLU 337 -7.557 30.094 71.425 1.00 95.78 O ATOM 65 C GLU 337 -10.619 32.574 67.551 1.00 95.78 C ATOM 66 O GLU 337 -11.331 33.505 67.920 1.00 95.78 O ATOM 67 N CYS 338 -9.694 32.688 66.575 1.00 97.61 N ATOM 68 CA CYS 338 -9.361 33.910 65.890 1.00 97.61 C ATOM 69 CB CYS 338 -8.062 33.758 65.088 1.00 97.61 C ATOM 70 SG CYS 338 -7.700 35.203 64.058 1.00 97.61 S ATOM 71 C CYS 338 -10.415 34.329 64.919 1.00 97.61 C ATOM 72 O CYS 338 -10.776 35.502 64.844 1.00 97.61 O ATOM 73 N GLY 339 -10.943 33.370 64.139 1.00 27.90 N ATOM 74 CA GLY 339 -11.890 33.707 63.119 1.00 27.90 C ATOM 75 C GLY 339 -11.157 33.846 61.815 1.00 27.90 C ATOM 76 O GLY 339 -11.768 34.149 60.792 1.00 27.90 O ATOM 77 N LYS 340 -9.821 33.639 61.806 1.00121.92 N ATOM 78 CA LYS 340 -9.104 33.750 60.565 1.00121.92 C ATOM 79 CB LYS 340 -7.586 33.959 60.700 1.00121.92 C ATOM 80 CG LYS 340 -6.898 33.961 59.335 1.00121.92 C ATOM 81 CD LYS 340 -5.583 34.731 59.289 1.00121.92 C ATOM 82 CE LYS 340 -5.819 36.206 58.965 1.00121.92 C ATOM 83 NZ LYS 340 -6.643 36.315 57.737 1.00121.92 N ATOM 84 C LYS 340 -9.341 32.533 59.730 1.00121.92 C ATOM 85 O LYS 340 -9.514 31.429 60.247 1.00121.92 O ATOM 86 N SER 341 -9.345 32.713 58.390 1.00101.93 N ATOM 87 CA SER 341 -9.640 31.628 57.496 1.00101.93 C ATOM 88 CB SER 341 -10.789 31.946 56.528 1.00101.93 C ATOM 89 OG SER 341 -10.466 33.103 55.774 1.00101.93 O ATOM 90 C SER 341 -8.427 31.279 56.684 1.00101.93 C ATOM 91 O SER 341 -7.578 32.126 56.402 1.00101.93 O ATOM 92 N PHE 342 -8.326 29.992 56.284 1.00156.11 N ATOM 93 CA PHE 342 -7.168 29.505 55.583 1.00156.11 C ATOM 94 CB PHE 342 -6.336 28.538 56.444 1.00156.11 C ATOM 95 CG PHE 342 -5.767 29.304 57.587 1.00156.11 C ATOM 96 CD1 PHE 342 -6.498 29.514 58.735 1.00156.11 C ATOM 97 CD2 PHE 342 -4.498 29.825 57.500 1.00156.11 C ATOM 98 CE1 PHE 342 -5.961 30.227 59.782 1.00156.11 C ATOM 99 CE2 PHE 342 -3.957 30.537 58.545 1.00156.11 C ATOM 100 CZ PHE 342 -4.690 30.741 59.688 1.00156.11 C ATOM 101 C PHE 342 -7.590 28.725 54.375 1.00156.11 C ATOM 102 O PHE 342 -8.671 28.142 54.311 1.00156.11 O ATOM 103 N PRO 343 -6.735 28.759 53.389 1.00 73.34 N ATOM 104 CA PRO 343 -6.931 28.003 52.185 1.00 73.34 C ATOM 105 CD PRO 343 -5.874 29.908 53.178 1.00 73.34 C ATOM 106 CB PRO 343 -5.993 28.615 51.139 1.00 73.34 C ATOM 107 CG PRO 343 -5.047 29.527 51.942 1.00 73.34 C ATOM 108 C PRO 343 -6.715 26.534 52.395 1.00 73.34 C ATOM 109 O PRO 343 -7.245 25.749 51.609 1.00 73.34 O ATOM 110 N HIS 344 -5.955 26.130 53.434 1.00 46.71 N ATOM 111 CA HIS 344 -5.641 24.735 53.567 1.00 46.71 C ATOM 112 ND1 HIS 344 -3.458 24.197 50.933 1.00 46.71 N ATOM 113 CG HIS 344 -3.586 24.956 52.073 1.00 46.71 C ATOM 114 CB HIS 344 -4.146 24.450 53.369 1.00 46.71 C ATOM 115 NE2 HIS 344 -2.652 26.212 50.446 1.00 46.71 N ATOM 116 CD2 HIS 344 -3.090 26.186 51.758 1.00 46.71 C ATOM 117 CE1 HIS 344 -2.893 24.997 49.991 1.00 46.71 C ATOM 118 C HIS 344 -5.946 24.283 54.962 1.00 46.71 C ATOM 119 O HIS 344 -5.752 25.021 55.927 1.00 46.71 O ATOM 120 N LYS 345 -6.414 23.023 55.092 1.00133.89 N ATOM 121 CA LYS 345 -6.760 22.455 56.366 1.00133.89 C ATOM 122 CB LYS 345 -7.283 21.007 56.291 1.00133.89 C ATOM 123 CG LYS 345 -8.503 20.771 55.405 1.00133.89 C ATOM 124 CD LYS 345 -8.167 20.777 53.914 1.00133.89 C ATOM 125 CE LYS 345 -9.210 20.045 53.070 1.00133.89 C ATOM 126 NZ LYS 345 -9.279 18.623 53.483 1.00133.89 N ATOM 127 C LYS 345 -5.523 22.361 57.203 1.00133.89 C ATOM 128 O LYS 345 -5.538 22.679 58.389 1.00133.89 O ATOM 129 N ASN 346 -4.407 21.923 56.591 1.00 29.61 N ATOM 130 CA ASN 346 -3.192 21.697 57.321 1.00 29.61 C ATOM 131 CB ASN 346 -2.059 21.151 56.435 1.00 29.61 C ATOM 132 CG ASN 346 -2.343 19.684 56.148 1.00 29.61 C ATOM 133 OD1 ASN 346 -2.121 18.819 56.995 1.00 29.61 O ATOM 134 ND2 ASN 346 -2.855 19.394 54.923 1.00 29.61 N ATOM 135 C ASN 346 -2.718 22.981 57.918 1.00 29.61 C ATOM 136 O ASN 346 -2.257 23.008 59.058 1.00 29.61 O ATOM 137 N THR 347 -2.815 24.086 57.156 1.00 95.99 N ATOM 138 CA THR 347 -2.333 25.342 57.650 1.00 95.99 C ATOM 139 CB THR 347 -2.407 26.444 56.634 1.00 95.99 C ATOM 140 OG1 THR 347 -3.757 26.692 56.270 1.00 95.99 O ATOM 141 CG2 THR 347 -1.590 26.023 55.401 1.00 95.99 C ATOM 142 C THR 347 -3.151 25.745 58.832 1.00 95.99 C ATOM 143 O THR 347 -2.622 26.260 59.816 1.00 95.99 O ATOM 144 N LEU 348 -4.475 25.521 58.776 1.00 58.61 N ATOM 145 CA LEU 348 -5.297 25.929 59.877 1.00 58.61 C ATOM 146 CB LEU 348 -6.795 25.692 59.641 1.00 58.61 C ATOM 147 CG LEU 348 -7.646 26.144 60.839 1.00 58.61 C ATOM 148 CD1 LEU 348 -7.448 27.636 61.125 1.00 58.61 C ATOM 149 CD2 LEU 348 -9.124 25.799 60.642 1.00 58.61 C ATOM 150 C LEU 348 -4.895 25.152 61.088 1.00 58.61 C ATOM 151 O LEU 348 -4.833 25.690 62.192 1.00 58.61 O ATOM 152 N ASN 349 -4.588 23.857 60.904 1.00 80.42 N ATOM 153 CA ASN 349 -4.234 23.006 62.005 1.00 80.42 C ATOM 154 CB ASN 349 -3.849 21.590 61.529 1.00 80.42 C ATOM 155 CG ASN 349 -3.728 20.648 62.724 1.00 80.42 C ATOM 156 OD1 ASN 349 -4.489 19.689 62.846 1.00 80.42 O ATOM 157 ND2 ASN 349 -2.744 20.908 63.628 1.00 80.42 N ATOM 158 C ASN 349 -3.036 23.594 62.682 1.00 80.42 C ATOM 159 O ASN 349 -2.990 23.701 63.908 1.00 80.42 O ATOM 160 N HIS 350 -2.030 24.008 61.896 1.00 58.28 N ATOM 161 CA HIS 350 -0.828 24.538 62.466 1.00 58.28 C ATOM 162 ND1 HIS 350 2.476 24.128 62.238 1.00 58.28 N ATOM 163 CG HIS 350 1.578 25.133 61.948 1.00 58.28 C ATOM 164 CB HIS 350 0.212 24.889 61.390 1.00 58.28 C ATOM 165 NE2 HIS 350 3.479 26.043 62.754 1.00 58.28 N ATOM 166 CD2 HIS 350 2.209 26.296 62.269 1.00 58.28 C ATOM 167 CE1 HIS 350 3.594 24.727 62.716 1.00 58.28 C ATOM 168 C HIS 350 -1.192 25.790 63.198 1.00 58.28 C ATOM 169 O HIS 350 -0.711 26.044 64.301 1.00 58.28 O ATOM 170 N HIS 351 -2.084 26.598 62.598 1.00 47.79 N ATOM 171 CA HIS 351 -2.486 27.845 63.184 1.00 47.79 C ATOM 172 ND1 HIS 351 -3.244 31.078 62.770 1.00 47.79 N ATOM 173 CG HIS 351 -3.962 29.910 62.891 1.00 47.79 C ATOM 174 CB HIS 351 -3.525 28.587 62.322 1.00 47.79 C ATOM 175 NE2 HIS 351 -5.088 31.584 63.904 1.00 47.79 N ATOM 176 CD2 HIS 351 -5.087 30.236 63.587 1.00 47.79 C ATOM 177 CE1 HIS 351 -3.963 32.048 63.393 1.00 47.79 C ATOM 178 C HIS 351 -3.128 27.583 64.508 1.00 47.79 C ATOM 179 O HIS 351 -2.803 28.228 65.503 1.00 47.79 O ATOM 180 N MET 352 -4.059 26.614 64.558 1.00 21.09 N ATOM 181 CA MET 352 -4.723 26.333 65.794 1.00 21.09 C ATOM 182 CB MET 352 -5.947 25.417 65.629 1.00 21.09 C ATOM 183 CG MET 352 -7.106 26.101 64.900 1.00 21.09 C ATOM 184 SD MET 352 -8.574 25.053 64.680 1.00 21.09 S ATOM 185 CE MET 352 -7.876 24.170 63.258 1.00 21.09 C ATOM 186 C MET 352 -3.736 25.651 66.726 1.00 21.09 C ATOM 187 O MET 352 -2.829 26.367 67.232 1.00 21.09 O ATOM 188 OXT MET 352 -3.879 24.422 66.958 1.00 21.09 O