EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:01:20 REMARK 6 MODELLER OBJECTIVE FUNCTION: 102.7872 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 62.500 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1501.49927 REMARK 6 GA341 score: 0.99516 REMARK 6 Normalized DOPE score: -1.57611 REMARK 6 TEMPLATE: 2i13A02 75:A - 98:A MODELS 1: - 24: AT 62.5% ATOM 1 N GLU 175 -11.385 28.321 52.730 1.00 90.47 N ATOM 2 CA GLU 175 -12.692 28.786 53.238 1.00 90.47 C ATOM 3 CB GLU 175 -13.831 27.965 52.612 1.00 90.47 C ATOM 4 CG GLU 175 -13.990 28.159 51.105 1.00 90.47 C ATOM 5 CD GLU 175 -14.908 29.352 50.872 1.00 90.47 C ATOM 6 OE1 GLU 175 -14.543 30.484 51.285 1.00 90.47 O ATOM 7 OE2 GLU 175 -15.994 29.137 50.274 1.00 90.47 O ATOM 8 C GLU 175 -12.767 28.603 54.713 1.00 90.47 C ATOM 9 O GLU 175 -12.037 27.795 55.285 1.00 90.47 O ATOM 10 N LYS 176 -13.636 29.389 55.376 1.00 97.42 N ATOM 11 CA LYS 176 -13.819 29.223 56.786 1.00 97.42 C ATOM 12 CB LYS 176 -13.369 30.459 57.586 1.00 97.42 C ATOM 13 CG LYS 176 -11.942 30.910 57.249 1.00 97.42 C ATOM 14 CD LYS 176 -11.832 31.519 55.849 1.00 97.42 C ATOM 15 CE LYS 176 -10.452 32.088 55.497 1.00 97.42 C ATOM 16 NZ LYS 176 -10.470 32.631 54.118 1.00 97.42 N ATOM 17 C LYS 176 -15.296 29.071 56.971 1.00 97.42 C ATOM 18 O LYS 176 -16.029 30.043 57.145 1.00 97.42 O ATOM 19 N PRO 177 -15.736 27.850 56.913 1.00118.71 N ATOM 20 CA PRO 177 -17.139 27.551 57.019 1.00118.71 C ATOM 21 CD PRO 177 -15.052 26.884 56.075 1.00118.71 C ATOM 22 CB PRO 177 -17.321 26.141 56.442 1.00118.71 C ATOM 23 CG PRO 177 -15.892 25.612 56.229 1.00118.71 C ATOM 24 C PRO 177 -17.774 27.736 58.361 1.00118.71 C ATOM 25 O PRO 177 -18.999 27.835 58.410 1.00118.71 O ATOM 26 N PHE 178 -17.002 27.772 59.462 1.00 55.57 N ATOM 27 CA PHE 178 -17.651 27.880 60.740 1.00 55.57 C ATOM 28 CB PHE 178 -17.002 26.998 61.822 1.00 55.57 C ATOM 29 CG PHE 178 -17.220 25.585 61.399 1.00 55.57 C ATOM 30 CD1 PHE 178 -18.363 24.914 61.769 1.00 55.57 C ATOM 31 CD2 PHE 178 -16.283 24.939 60.628 1.00 55.57 C ATOM 32 CE1 PHE 178 -18.564 23.614 61.371 1.00 55.57 C ATOM 33 CE2 PHE 178 -16.481 23.639 60.229 1.00 55.57 C ATOM 34 CZ PHE 178 -17.623 22.974 60.602 1.00 55.57 C ATOM 35 C PHE 178 -17.575 29.301 61.209 1.00 55.57 C ATOM 36 O PHE 178 -16.488 29.844 61.398 1.00 55.57 O ATOM 37 N THR 179 -18.744 29.939 61.440 1.00 98.39 N ATOM 38 CA THR 179 -18.721 31.304 61.886 1.00 98.39 C ATOM 39 CB THR 179 -19.472 32.255 60.997 1.00 98.39 C ATOM 40 OG1 THR 179 -19.198 33.598 61.374 1.00 98.39 O ATOM 41 CG2 THR 179 -20.981 31.968 61.106 1.00 98.39 C ATOM 42 C THR 179 -19.340 31.376 63.246 1.00 98.39 C ATOM 43 O THR 179 -20.300 30.669 63.547 1.00 98.39 O ATOM 44 N CYS 180 -18.763 32.229 64.115 1.00 43.76 N ATOM 45 CA CYS 180 -19.264 32.425 65.445 1.00 43.76 C ATOM 46 CB CYS 180 -18.264 33.151 66.366 1.00 43.76 C ATOM 47 SG CYS 180 -18.904 33.416 68.050 1.00 43.76 S ATOM 48 C CYS 180 -20.489 33.272 65.354 1.00 43.76 C ATOM 49 O CYS 180 -20.492 34.315 64.703 1.00 43.76 O ATOM 50 N THR 181 -21.573 32.848 66.025 1.00108.01 N ATOM 51 CA THR 181 -22.796 33.588 65.938 1.00108.01 C ATOM 52 CB THR 181 -23.929 32.915 66.653 1.00108.01 C ATOM 53 OG1 THR 181 -23.654 32.836 68.043 1.00108.01 O ATOM 54 CG2 THR 181 -24.113 31.507 66.062 1.00108.01 C ATOM 55 C THR 181 -22.620 34.942 66.551 1.00108.01 C ATOM 56 O THR 181 -23.094 35.940 66.007 1.00108.01 O ATOM 57 N GLN 182 -21.971 35.007 67.730 1.00142.36 N ATOM 58 CA GLN 182 -21.883 36.272 68.403 1.00142.36 C ATOM 59 CB GLN 182 -21.395 36.136 69.857 1.00142.36 C ATOM 60 CG GLN 182 -22.361 35.377 70.772 1.00142.36 C ATOM 61 CD GLN 182 -22.120 33.885 70.597 1.00142.36 C ATOM 62 OE1 GLN 182 -21.073 33.462 70.111 1.00142.36 O ATOM 63 NE2 GLN 182 -23.117 33.061 71.018 1.00142.36 N ATOM 64 C GLN 182 -20.972 37.261 67.730 1.00142.36 C ATOM 65 O GLN 182 -21.385 38.374 67.401 1.00142.36 O ATOM 66 N CYS 183 -19.695 36.869 67.552 1.00107.07 N ATOM 67 CA CYS 183 -18.624 37.684 67.039 1.00107.07 C ATOM 68 CB CYS 183 -17.271 37.044 67.379 1.00107.07 C ATOM 69 SG CYS 183 -15.857 37.987 66.755 1.00107.07 S ATOM 70 C CYS 183 -18.667 37.883 65.550 1.00107.07 C ATOM 71 O CYS 183 -18.439 38.986 65.055 1.00107.07 O ATOM 72 N GLY 184 -18.949 36.809 64.789 1.00 26.26 N ATOM 73 CA GLY 184 -18.932 36.890 63.356 1.00 26.26 C ATOM 74 C GLY 184 -17.596 36.414 62.854 1.00 26.26 C ATOM 75 O GLY 184 -17.342 36.418 61.650 1.00 26.26 O ATOM 76 N LYS 185 -16.692 35.990 63.760 1.00 55.31 N ATOM 77 CA LYS 185 -15.402 35.517 63.333 1.00 55.31 C ATOM 78 CB LYS 185 -14.410 35.365 64.497 1.00 55.31 C ATOM 79 CG LYS 185 -12.983 34.996 64.082 1.00 55.31 C ATOM 80 CD LYS 185 -11.965 35.177 65.216 1.00 55.31 C ATOM 81 CE LYS 185 -10.521 34.820 64.849 1.00 55.31 C ATOM 82 NZ LYS 185 -9.624 35.083 66.000 1.00 55.31 N ATOM 83 C LYS 185 -15.573 34.163 62.701 1.00 55.31 C ATOM 84 O LYS 185 -16.413 33.374 63.133 1.00 55.31 O ATOM 85 N SER 186 -14.764 33.852 61.657 1.00 53.82 N ATOM 86 CA SER 186 -14.902 32.599 60.953 1.00 53.82 C ATOM 87 CB SER 186 -15.051 32.775 59.434 1.00 53.82 C ATOM 88 OG SER 186 -16.221 33.520 59.135 1.00 53.82 O ATOM 89 C SER 186 -13.676 31.756 61.171 1.00 53.82 C ATOM 90 O SER 186 -12.574 32.276 61.336 1.00 53.82 O ATOM 91 N PHE 187 -13.850 30.411 61.157 1.00147.16 N ATOM 92 CA PHE 187 -12.767 29.499 61.418 1.00147.16 C ATOM 93 CB PHE 187 -12.914 28.787 62.771 1.00147.16 C ATOM 94 CG PHE 187 -12.827 29.798 63.861 1.00147.16 C ATOM 95 CD1 PHE 187 -13.941 30.518 64.225 1.00147.16 C ATOM 96 CD2 PHE 187 -11.634 30.031 64.509 1.00147.16 C ATOM 97 CE1 PHE 187 -13.869 31.454 65.231 1.00147.16 C ATOM 98 CE2 PHE 187 -11.561 30.965 65.516 1.00147.16 C ATOM 99 CZ PHE 187 -12.678 31.677 65.881 1.00147.16 C ATOM 100 C PHE 187 -12.777 28.399 60.400 1.00147.16 C ATOM 101 O PHE 187 -13.818 28.048 59.846 1.00147.16 O ATOM 102 N SER 188 -11.582 27.833 60.129 1.00 37.75 N ATOM 103 CA SER 188 -11.427 26.736 59.217 1.00 37.75 C ATOM 104 CB SER 188 -9.963 26.471 58.828 1.00 37.75 C ATOM 105 OG SER 188 -9.227 26.041 59.963 1.00 37.75 O ATOM 106 C SER 188 -11.946 25.476 59.844 1.00 37.75 C ATOM 107 O SER 188 -12.398 24.578 59.134 1.00 37.75 O ATOM 108 N GLN 189 -11.891 25.361 61.190 1.00 52.03 N ATOM 109 CA GLN 189 -12.299 24.123 61.803 1.00 52.03 C ATOM 110 CB GLN 189 -11.159 23.344 62.476 1.00 52.03 C ATOM 111 CG GLN 189 -10.071 22.829 61.536 1.00 52.03 C ATOM 112 CD GLN 189 -9.067 22.096 62.418 1.00 52.03 C ATOM 113 OE1 GLN 189 -7.942 22.548 62.619 1.00 52.03 O ATOM 114 NE2 GLN 189 -9.497 20.933 62.976 1.00 52.03 N ATOM 115 C GLN 189 -13.288 24.366 62.902 1.00 52.03 C ATOM 116 O GLN 189 -13.265 25.392 63.581 1.00 52.03 O ATOM 117 N SER 190 -14.173 23.370 63.111 1.00 70.54 N ATOM 118 CA SER 190 -15.200 23.412 64.113 1.00 70.54 C ATOM 119 CB SER 190 -16.131 22.186 64.073 1.00 70.54 C ATOM 120 OG SER 190 -15.418 21.013 64.436 1.00 70.54 O ATOM 121 C SER 190 -14.571 23.433 65.471 1.00 70.54 C ATOM 122 O SER 190 -15.048 24.130 66.363 1.00 70.54 O ATOM 123 N SER 191 -13.467 22.683 65.656 1.00 71.58 N ATOM 124 CA SER 191 -12.835 22.579 66.942 1.00 71.58 C ATOM 125 CB SER 191 -11.597 21.662 66.914 1.00 71.58 C ATOM 126 OG SER 191 -11.974 20.323 66.628 1.00 71.58 O ATOM 127 C SER 191 -12.380 23.935 67.383 1.00 71.58 C ATOM 128 O SER 191 -12.561 24.315 68.540 1.00 71.58 O ATOM 129 N ASN 192 -11.780 24.703 66.457 1.00 30.48 N ATOM 130 CA ASN 192 -11.264 26.000 66.783 1.00 30.48 C ATOM 131 CB ASN 192 -10.497 26.642 65.615 1.00 30.48 C ATOM 132 CG ASN 192 -9.218 25.843 65.392 1.00 30.48 C ATOM 133 OD1 ASN 192 -8.587 25.375 66.338 1.00 30.48 O ATOM 134 ND2 ASN 192 -8.826 25.672 64.101 1.00 30.48 N ATOM 135 C ASN 192 -12.398 26.907 67.153 1.00 30.48 C ATOM 136 O ASN 192 -12.278 27.713 68.075 1.00 30.48 O ATOM 137 N LEU 193 -13.533 26.795 66.437 1.00104.84 N ATOM 138 CA LEU 193 -14.673 27.631 66.685 1.00104.84 C ATOM 139 CB LEU 193 -15.836 27.334 65.708 1.00104.84 C ATOM 140 CG LEU 193 -17.137 28.145 65.930 1.00104.84 C ATOM 141 CD1 LEU 193 -17.924 27.677 67.166 1.00104.84 C ATOM 142 CD2 LEU 193 -16.849 29.651 65.966 1.00104.84 C ATOM 143 C LEU 193 -15.143 27.363 68.078 1.00104.84 C ATOM 144 O LEU 193 -15.489 28.288 68.811 1.00104.84 O ATOM 145 N ASN 194 -15.142 26.084 68.489 1.00 70.21 N ATOM 146 CA ASN 194 -15.629 25.732 69.791 1.00 70.21 C ATOM 147 CB ASN 194 -15.526 24.226 70.079 1.00 70.21 C ATOM 148 CG ASN 194 -16.266 23.975 71.381 1.00 70.21 C ATOM 149 OD1 ASN 194 -16.897 24.875 71.933 1.00 70.21 O ATOM 150 ND2 ASN 194 -16.192 22.718 71.891 1.00 70.21 N ATOM 151 C ASN 194 -14.815 26.438 70.833 1.00 70.21 C ATOM 152 O ASN 194 -15.366 26.968 71.797 1.00 70.21 O ATOM 153 N GLN 195 -13.481 26.477 70.658 1.00 48.06 N ATOM 154 CA GLN 195 -12.609 27.104 71.615 1.00 48.06 C ATOM 155 CB GLN 195 -11.153 27.121 71.130 1.00 48.06 C ATOM 156 CG GLN 195 -10.208 27.941 72.008 1.00 48.06 C ATOM 157 CD GLN 195 -8.976 28.250 71.170 1.00 48.06 C ATOM 158 OE1 GLN 195 -9.095 28.622 70.003 1.00 48.06 O ATOM 159 NE2 GLN 195 -7.765 28.091 71.768 1.00 48.06 N ATOM 160 C GLN 195 -13.003 28.539 71.708 1.00 48.06 C ATOM 161 O GLN 195 -13.119 29.102 72.795 1.00 48.06 O ATOM 162 N HIS 196 -13.247 29.150 70.539 1.00 61.15 N ATOM 163 CA HIS 196 -13.562 30.540 70.446 1.00 61.15 C ATOM 164 ND1 HIS 196 -13.650 33.495 68.886 1.00 61.15 N ATOM 165 CG HIS 196 -14.379 32.329 68.813 1.00 61.15 C ATOM 166 CB HIS 196 -13.819 30.949 68.985 1.00 61.15 C ATOM 167 NE2 HIS 196 -15.749 34.086 68.450 1.00 61.15 N ATOM 168 CD2 HIS 196 -15.659 32.710 68.547 1.00 61.15 C ATOM 169 CE1 HIS 196 -14.518 34.514 68.661 1.00 61.15 C ATOM 170 C HIS 196 -14.805 30.845 71.216 1.00 61.15 C ATOM 171 O HIS 196 -14.829 31.782 72.013 1.00 61.15 O ATOM 172 N MET 197 -15.871 30.050 71.024 1.00 65.07 N ATOM 173 CA MET 197 -17.093 30.390 71.690 1.00 65.07 C ATOM 174 CB MET 197 -18.267 29.462 71.346 1.00 65.07 C ATOM 175 CG MET 197 -18.721 29.594 69.894 1.00 65.07 C ATOM 176 SD MET 197 -20.243 28.684 69.493 1.00 65.07 S ATOM 177 CE MET 197 -19.491 27.036 69.610 1.00 65.07 C ATOM 178 C MET 197 -16.871 30.329 73.163 1.00 65.07 C ATOM 179 O MET 197 -17.342 31.197 73.897 1.00 65.07 O ATOM 180 N ARG 198 -16.131 29.306 73.623 1.00 99.80 N ATOM 181 CA ARG 198 -15.866 29.133 75.019 1.00 99.80 C ATOM 182 CB ARG 198 -14.829 28.029 75.269 1.00 99.80 C ATOM 183 CG ARG 198 -14.504 27.802 76.742 1.00 99.80 C ATOM 184 CD ARG 198 -13.518 26.658 76.969 1.00 99.80 C ATOM 185 NE ARG 198 -13.271 26.579 78.434 1.00 99.80 N ATOM 186 CZ ARG 198 -14.187 25.974 79.244 1.00 99.80 C ATOM 187 NH1 ARG 198 -15.351 25.493 78.718 1.00 99.80 N ATOM 188 NH2 ARG 198 -13.940 25.855 80.581 1.00 99.80 N ATOM 189 C ARG 198 -15.340 30.441 75.610 1.00 99.80 C ATOM 190 O ARG 198 -14.286 30.945 75.141 1.00 99.80 O ATOM 191 OXT ARG 198 -16.000 30.954 76.554 1.00 99.80 O