EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:19:27 REMARK 6 MODELLER OBJECTIVE FUNCTION: 104.7442 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 61.905 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1144.02588 REMARK 6 GA341 score: 0.95618 REMARK 6 Normalized DOPE score: -1.09104 REMARK 6 TEMPLATE: 2i13A02 75:A - 95:A MODELS 1: - 21: AT 61.9% ATOM 1 N GLU 190 -4.927 15.735 44.796 1.00 92.49 N ATOM 2 CA GLU 190 -5.488 14.946 45.917 1.00 92.49 C ATOM 3 CB GLU 190 -4.400 14.092 46.585 1.00 92.49 C ATOM 4 CG GLU 190 -4.004 12.852 45.785 1.00 92.49 C ATOM 5 CD GLU 190 -5.138 11.843 45.919 1.00 92.49 C ATOM 6 OE1 GLU 190 -6.241 12.128 45.383 1.00 92.49 O ATOM 7 OE2 GLU 190 -4.921 10.779 46.558 1.00 92.49 O ATOM 8 C GLU 190 -6.083 15.821 46.967 1.00 92.49 C ATOM 9 O GLU 190 -5.696 16.979 47.126 1.00 92.49 O ATOM 10 N LYS 191 -7.077 15.287 47.702 1.00122.20 N ATOM 11 CA LYS 191 -7.670 16.057 48.752 1.00122.20 C ATOM 12 CB LYS 191 -9.181 16.272 48.575 1.00122.20 C ATOM 13 CG LYS 191 -9.573 16.772 47.184 1.00122.20 C ATOM 14 CD LYS 191 -9.449 15.682 46.116 1.00122.20 C ATOM 15 CE LYS 191 -10.285 14.437 46.429 1.00122.20 C ATOM 16 NZ LYS 191 -10.088 13.399 45.393 1.00122.20 N ATOM 17 C LYS 191 -7.508 15.246 49.997 1.00122.20 C ATOM 18 O LYS 191 -8.253 14.298 50.247 1.00122.20 O ATOM 19 N PRO 192 -6.526 15.592 50.771 1.00120.14 N ATOM 20 CA PRO 192 -6.258 14.872 51.984 1.00120.14 C ATOM 21 CD PRO 192 -5.319 16.172 50.210 1.00120.14 C ATOM 22 CB PRO 192 -4.808 15.193 52.359 1.00120.14 C ATOM 23 CG PRO 192 -4.402 16.348 51.426 1.00120.14 C ATOM 24 C PRO 192 -7.231 15.077 53.103 1.00120.14 C ATOM 25 O PRO 192 -7.277 14.230 53.993 1.00120.14 O ATOM 26 N PHE 193 -8.014 16.171 53.111 1.00 58.63 N ATOM 27 CA PHE 193 -8.856 16.368 54.258 1.00 58.63 C ATOM 28 CB PHE 193 -8.866 17.824 54.756 1.00 58.63 C ATOM 29 CG PHE 193 -7.508 18.108 55.307 1.00 58.63 C ATOM 30 CD1 PHE 193 -7.211 17.804 56.617 1.00 58.63 C ATOM 31 CD2 PHE 193 -6.527 18.667 54.520 1.00 58.63 C ATOM 32 CE1 PHE 193 -5.963 18.060 57.135 1.00 58.63 C ATOM 33 CE2 PHE 193 -5.277 18.924 55.035 1.00 58.63 C ATOM 34 CZ PHE 193 -4.990 18.620 56.345 1.00 58.63 C ATOM 35 C PHE 193 -10.257 15.971 53.915 1.00 58.63 C ATOM 36 O PHE 193 -10.834 16.460 52.946 1.00 58.63 O ATOM 37 N SER 194 -10.846 15.066 54.722 1.00 71.40 N ATOM 38 CA SER 194 -12.181 14.628 54.430 1.00 71.40 C ATOM 39 CB SER 194 -12.297 13.114 54.174 1.00 71.40 C ATOM 40 OG SER 194 -13.647 12.771 53.895 1.00 71.40 O ATOM 41 C SER 194 -13.065 14.952 55.592 1.00 71.40 C ATOM 42 O SER 194 -12.658 14.874 56.751 1.00 71.40 O ATOM 43 N CYS 195 -14.314 15.358 55.282 1.00 40.53 N ATOM 44 CA CYS 195 -15.286 15.681 56.287 1.00 40.53 C ATOM 45 CB CYS 195 -16.447 16.536 55.747 1.00 40.53 C ATOM 46 SG CYS 195 -17.678 16.948 57.018 1.00 40.53 S ATOM 47 C CYS 195 -15.865 14.389 56.775 1.00 40.53 C ATOM 48 O CYS 195 -16.296 13.547 55.989 1.00 40.53 O ATOM 49 N LYS 196 -15.895 14.190 58.104 1.00125.61 N ATOM 50 CA LYS 196 -16.391 12.943 58.597 1.00125.61 C ATOM 51 CB LYS 196 -16.123 12.740 60.096 1.00125.61 C ATOM 52 CG LYS 196 -14.625 12.587 60.367 1.00125.61 C ATOM 53 CD LYS 196 -13.985 11.461 59.549 1.00125.61 C ATOM 54 CE LYS 196 -12.456 11.532 59.484 1.00125.61 C ATOM 55 NZ LYS 196 -11.859 10.888 60.676 1.00125.61 N ATOM 56 C LYS 196 -17.858 12.802 58.320 1.00125.61 C ATOM 57 O LYS 196 -18.315 11.719 57.954 1.00125.61 O ATOM 58 N GLN 197 -18.653 13.872 58.518 1.00 66.15 N ATOM 59 CA GLN 197 -20.064 13.690 58.317 1.00 66.15 C ATOM 60 CB GLN 197 -20.918 14.828 58.896 1.00 66.15 C ATOM 61 CG GLN 197 -22.415 14.603 58.665 1.00 66.15 C ATOM 62 CD GLN 197 -23.184 15.766 59.272 1.00 66.15 C ATOM 63 OE1 GLN 197 -23.069 16.047 60.464 1.00 66.15 O ATOM 64 NE2 GLN 197 -23.985 16.469 58.429 1.00 66.15 N ATOM 65 C GLN 197 -20.447 13.558 56.871 1.00 66.15 C ATOM 66 O GLN 197 -21.125 12.602 56.491 1.00 66.15 O ATOM 67 N CYS 198 -20.041 14.542 56.037 1.00 92.50 N ATOM 68 CA CYS 198 -20.386 14.615 54.640 1.00 92.50 C ATOM 69 CB CYS 198 -20.054 15.992 54.043 1.00 92.50 C ATOM 70 SG CYS 198 -20.409 16.071 52.267 1.00 92.50 S ATOM 71 C CYS 198 -19.656 13.596 53.820 1.00 92.50 C ATOM 72 O CYS 198 -20.247 12.923 52.976 1.00 92.50 O ATOM 73 N GLY 199 -18.336 13.452 54.046 1.00 28.53 N ATOM 74 CA GLY 199 -17.563 12.534 53.259 1.00 28.53 C ATOM 75 C GLY 199 -16.866 13.289 52.162 1.00 28.53 C ATOM 76 O GLY 199 -16.068 12.715 51.423 1.00 28.53 O ATOM 77 N LYS 200 -17.142 14.604 52.024 1.00121.74 N ATOM 78 CA LYS 200 -16.484 15.363 50.997 1.00121.74 C ATOM 79 CB LYS 200 -16.987 16.800 50.809 1.00121.74 C ATOM 80 CG LYS 200 -18.222 16.941 49.932 1.00121.74 C ATOM 81 CD LYS 200 -18.829 18.342 49.997 1.00121.74 C ATOM 82 CE LYS 200 -20.036 18.518 49.079 1.00121.74 C ATOM 83 NZ LYS 200 -21.135 17.631 49.525 1.00121.74 N ATOM 84 C LYS 200 -15.046 15.524 51.357 1.00121.74 C ATOM 85 O LYS 200 -14.683 15.597 52.528 1.00121.74 O ATOM 86 N SER 201 -14.188 15.594 50.319 1.00101.54 N ATOM 87 CA SER 201 -12.780 15.751 50.529 1.00101.54 C ATOM 88 CB SER 201 -11.955 14.673 49.807 1.00101.54 C ATOM 89 OG SER 201 -12.252 14.688 48.420 1.00101.54 O ATOM 90 C SER 201 -12.387 17.097 49.997 1.00101.54 C ATOM 91 O SER 201 -12.988 17.590 49.043 1.00101.54 O ATOM 92 N PHE 202 -11.370 17.734 50.628 1.00141.92 N ATOM 93 CA PHE 202 -10.960 19.059 50.243 1.00141.92 C ATOM 94 CB PHE 202 -11.354 20.129 51.281 1.00141.92 C ATOM 95 CG PHE 202 -12.842 20.239 51.277 1.00141.92 C ATOM 96 CD1 PHE 202 -13.606 19.360 52.012 1.00141.92 C ATOM 97 CD2 PHE 202 -13.481 21.205 50.533 1.00141.92 C ATOM 98 CE1 PHE 202 -14.980 19.444 52.009 1.00141.92 C ATOM 99 CE2 PHE 202 -14.854 21.295 50.527 1.00141.92 C ATOM 100 CZ PHE 202 -15.607 20.417 51.268 1.00141.92 C ATOM 101 C PHE 202 -9.471 19.105 50.094 1.00141.92 C ATOM 102 O PHE 202 -8.730 18.372 50.749 1.00141.92 O ATOM 103 N SER 203 -9.009 19.973 49.174 1.00 36.13 N ATOM 104 CA SER 203 -7.615 20.168 48.913 1.00 36.13 C ATOM 105 CB SER 203 -7.362 20.993 47.640 1.00 36.13 C ATOM 106 OG SER 203 -7.884 22.305 47.793 1.00 36.13 O ATOM 107 C SER 203 -6.997 20.913 50.054 1.00 36.13 C ATOM 108 O SER 203 -5.818 20.725 50.354 1.00 36.13 O ATOM 109 N GLN 204 -7.776 21.783 50.729 1.00 48.54 N ATOM 110 CA GLN 204 -7.166 22.592 51.746 1.00 48.54 C ATOM 111 CB GLN 204 -7.203 24.088 51.398 1.00 48.54 C ATOM 112 CG GLN 204 -6.439 24.406 50.109 1.00 48.54 C ATOM 113 CD GLN 204 -6.653 25.870 49.759 1.00 48.54 C ATOM 114 OE1 GLN 204 -6.291 26.765 50.521 1.00 48.54 O ATOM 115 NE2 GLN 204 -7.262 26.123 48.568 1.00 48.54 N ATOM 116 C GLN 204 -7.870 22.399 53.051 1.00 48.54 C ATOM 117 O GLN 204 -9.081 22.204 53.109 1.00 48.54 O ATOM 118 N LYS 205 -7.084 22.456 54.146 1.00 47.29 N ATOM 119 CA LYS 205 -7.569 22.255 55.479 1.00 47.29 C ATOM 120 CB LYS 205 -6.435 22.242 56.515 1.00 47.29 C ATOM 121 CG LYS 205 -6.881 21.865 57.926 1.00 47.29 C ATOM 122 CD LYS 205 -5.694 21.547 58.832 1.00 47.29 C ATOM 123 CE LYS 205 -6.091 21.078 60.229 1.00 47.29 C ATOM 124 NZ LYS 205 -4.879 20.654 60.960 1.00 47.29 N ATOM 125 C LYS 205 -8.527 23.344 55.858 1.00 47.29 C ATOM 126 O LYS 205 -9.563 23.062 56.458 1.00 47.29 O ATOM 127 N PRO 206 -8.242 24.581 55.555 1.00124.54 N ATOM 128 CA PRO 206 -9.163 25.610 55.954 1.00124.54 C ATOM 129 CD PRO 206 -6.873 25.069 55.533 1.00124.54 C ATOM 130 CB PRO 206 -8.427 26.930 55.753 1.00124.54 C ATOM 131 CG PRO 206 -6.952 26.542 55.970 1.00124.54 C ATOM 132 C PRO 206 -10.469 25.509 55.244 1.00124.54 C ATOM 133 O PRO 206 -11.478 25.960 55.785 1.00124.54 O ATOM 134 N ASN 207 -10.475 24.954 54.023 1.00 56.50 N ATOM 135 CA ASN 207 -11.700 24.844 53.295 1.00 56.50 C ATOM 136 CB ASN 207 -11.492 24.268 51.887 1.00 56.50 C ATOM 137 CG ASN 207 -10.600 25.227 51.117 1.00 56.50 C ATOM 138 OD1 ASN 207 -9.755 24.805 50.330 1.00 56.50 O ATOM 139 ND2 ASN 207 -10.782 26.554 51.348 1.00 56.50 N ATOM 140 C ASN 207 -12.577 23.886 54.032 1.00 56.50 C ATOM 141 O ASN 207 -13.772 24.119 54.205 1.00 56.50 O ATOM 142 N LEU 208 -11.986 22.768 54.490 1.00 99.69 N ATOM 143 CA LEU 208 -12.734 21.767 55.188 1.00 99.69 C ATOM 144 CB LEU 208 -11.891 20.514 55.504 1.00 99.69 C ATOM 145 CG LEU 208 -12.675 19.321 56.098 1.00 99.69 C ATOM 146 CD1 LEU 208 -13.209 19.612 57.510 1.00 99.69 C ATOM 147 CD2 LEU 208 -13.769 18.839 55.133 1.00 99.69 C ATOM 148 C LEU 208 -13.198 22.366 56.475 1.00 99.69 C ATOM 149 O LEU 208 -14.332 22.153 56.900 1.00 99.69 O ATOM 150 N ASP 209 -12.323 23.163 57.110 1.00 78.84 N ATOM 151 CA ASP 209 -12.607 23.728 58.394 1.00 78.84 C ATOM 152 CB ASP 209 -11.475 24.662 58.859 1.00 78.84 C ATOM 153 CG ASP 209 -11.711 25.098 60.300 1.00 78.84 C ATOM 154 OD1 ASP 209 -12.836 25.567 60.616 1.00 78.84 O ATOM 155 OD2 ASP 209 -10.746 24.986 61.104 1.00 78.84 O ATOM 156 C ASP 209 -13.852 24.545 58.286 1.00 78.84 C ATOM 157 O ASP 209 -14.754 24.416 59.111 1.00 78.84 O ATOM 158 N VAL 210 -13.947 25.401 57.253 1.00 77.15 N ATOM 159 CA VAL 210 -15.117 26.219 57.146 1.00 77.15 C ATOM 160 CB VAL 210 -14.830 27.681 57.349 1.00 77.15 C ATOM 161 CG1 VAL 210 -14.398 27.886 58.812 1.00 77.15 C ATOM 162 CG2 VAL 210 -13.759 28.123 56.339 1.00 77.15 C ATOM 163 C VAL 210 -15.722 26.033 55.759 1.00 77.15 C ATOM 164 O VAL 210 -16.920 25.643 55.698 1.00 77.15 O ATOM 165 OXT VAL 210 -15.010 26.273 54.749 1.00 77.15 O