EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:09:54 REMARK 6 MODELLER OBJECTIVE FUNCTION: 103.9306 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 59.259 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1792.25061 REMARK 6 GA341 score: 0.99952 REMARK 6 Normalized DOPE score: -1.06416 REMARK 6 TEMPLATE: 2i13A02 75:A - 101:A MODELS 1: - 27: AT 59.3% ATOM 1 N GLU 189 -1.488 32.355 35.987 1.00 58.17 N ATOM 2 CA GLU 189 -2.738 31.665 36.370 1.00 58.17 C ATOM 3 CB GLU 189 -2.943 30.392 35.528 1.00 58.17 C ATOM 4 CG GLU 189 -3.224 30.626 34.040 1.00 58.17 C ATOM 5 CD GLU 189 -3.445 29.257 33.409 1.00 58.17 C ATOM 6 OE1 GLU 189 -4.280 28.489 33.957 1.00 58.17 O ATOM 7 OE2 GLU 189 -2.788 28.960 32.377 1.00 58.17 O ATOM 8 C GLU 189 -2.687 31.260 37.803 1.00 58.17 C ATOM 9 O GLU 189 -1.813 31.688 38.554 1.00 58.17 O ATOM 10 N LYS 190 -3.669 30.442 38.225 1.00 99.03 N ATOM 11 CA LYS 190 -3.667 29.980 39.577 1.00 99.03 C ATOM 12 CB LYS 190 -4.714 30.704 40.433 1.00 99.03 C ATOM 13 CG LYS 190 -4.336 32.171 40.652 1.00 99.03 C ATOM 14 CD LYS 190 -5.499 33.071 41.065 1.00 99.03 C ATOM 15 CE LYS 190 -6.268 33.653 39.875 1.00 99.03 C ATOM 16 NZ LYS 190 -5.483 34.722 39.217 1.00 99.03 N ATOM 17 C LYS 190 -3.982 28.522 39.537 1.00 99.03 C ATOM 18 O LYS 190 -5.131 28.109 39.382 1.00 99.03 O ATOM 19 N PRO 191 -2.942 27.753 39.652 1.00110.76 N ATOM 20 CA PRO 191 -3.066 26.319 39.601 1.00110.76 C ATOM 21 CD PRO 191 -1.687 28.204 39.067 1.00110.76 C ATOM 22 CB PRO 191 -1.664 25.790 39.317 1.00110.76 C ATOM 23 CG PRO 191 -0.990 26.938 38.548 1.00110.76 C ATOM 24 C PRO 191 -3.725 25.620 40.754 1.00110.76 C ATOM 25 O PRO 191 -4.183 24.496 40.557 1.00110.76 O ATOM 26 N TYR 192 -3.799 26.220 41.957 1.00 58.54 N ATOM 27 CA TYR 192 -4.325 25.439 43.044 1.00 58.54 C ATOM 28 CB TYR 192 -3.501 25.537 44.341 1.00 58.54 C ATOM 29 CG TYR 192 -2.147 24.987 44.043 1.00 58.54 C ATOM 30 CD1 TYR 192 -1.911 23.628 44.034 1.00 58.54 C ATOM 31 CD2 TYR 192 -1.105 25.845 43.768 1.00 58.54 C ATOM 32 CE1 TYR 192 -0.652 23.142 43.757 1.00 58.54 C ATOM 33 CE2 TYR 192 0.153 25.366 43.491 1.00 58.54 C ATOM 34 CZ TYR 192 0.382 24.011 43.487 1.00 58.54 C ATOM 35 OH TYR 192 1.676 23.523 43.204 1.00 58.54 O ATOM 36 C TYR 192 -5.710 25.901 43.359 1.00 58.54 C ATOM 37 O TYR 192 -5.934 27.058 43.707 1.00 58.54 O ATOM 38 N SER 193 -6.688 24.978 43.254 1.00 73.38 N ATOM 39 CA SER 193 -8.054 25.348 43.489 1.00 73.38 C ATOM 40 CB SER 193 -8.986 25.027 42.309 1.00 73.38 C ATOM 41 OG SER 193 -10.308 25.455 42.600 1.00 73.38 O ATOM 42 C SER 193 -8.555 24.620 44.695 1.00 73.38 C ATOM 43 O SER 193 -8.173 23.479 44.956 1.00 73.38 O ATOM 44 N CYS 194 -9.414 25.302 45.482 1.00 43.42 N ATOM 45 CA CYS 194 -9.966 24.743 46.684 1.00 43.42 C ATOM 46 CB CYS 194 -10.437 25.819 47.685 1.00 43.42 C ATOM 47 SG CYS 194 -11.134 25.142 49.223 1.00 43.42 S ATOM 48 C CYS 194 -11.134 23.884 46.318 1.00 43.42 C ATOM 49 O CYS 194 -12.004 24.280 45.543 1.00 43.42 O ATOM 50 N ILE 195 -11.191 22.668 46.892 1.00 89.26 N ATOM 51 CA ILE 195 -12.258 21.762 46.574 1.00 89.26 C ATOM 52 CB ILE 195 -12.151 20.429 47.264 1.00 89.26 C ATOM 53 CG1 ILE 195 -10.903 19.656 46.806 1.00 89.26 C ATOM 54 CG2 ILE 195 -13.471 19.675 47.019 1.00 89.26 C ATOM 55 CD1 ILE 195 -10.908 19.302 45.319 1.00 89.26 C ATOM 56 C ILE 195 -13.560 22.340 47.029 1.00 89.26 C ATOM 57 O ILE 195 -14.573 22.219 46.343 1.00 89.26 O ATOM 58 N GLN 196 -13.578 22.947 48.230 1.00142.41 N ATOM 59 CA GLN 196 -14.846 23.356 48.758 1.00142.41 C ATOM 60 CB GLN 196 -14.714 23.783 50.234 1.00142.41 C ATOM 61 CG GLN 196 -16.017 23.719 51.035 1.00142.41 C ATOM 62 CD GLN 196 -16.983 24.795 50.565 1.00142.41 C ATOM 63 OE1 GLN 196 -16.582 25.873 50.122 1.00142.41 O ATOM 64 NE2 GLN 196 -18.304 24.495 50.672 1.00142.41 N ATOM 65 C GLN 196 -15.491 24.482 47.981 1.00142.41 C ATOM 66 O GLN 196 -16.598 24.318 47.468 1.00142.41 O ATOM 67 N CYS 197 -14.822 25.658 47.900 1.00 75.83 N ATOM 68 CA CYS 197 -15.322 26.847 47.243 1.00 75.83 C ATOM 69 CB CYS 197 -14.729 28.134 47.840 1.00 75.83 C ATOM 70 SG CYS 197 -12.919 28.192 47.744 1.00 75.83 S ATOM 71 C CYS 197 -15.128 26.874 45.750 1.00 75.83 C ATOM 72 O CYS 197 -15.998 27.339 45.015 1.00 75.83 O ATOM 73 N GLY 198 -13.975 26.386 45.250 1.00 30.21 N ATOM 74 CA GLY 198 -13.712 26.467 43.839 1.00 30.21 C ATOM 75 C GLY 198 -12.807 27.642 43.560 1.00 30.21 C ATOM 76 O GLY 198 -12.445 27.892 42.412 1.00 30.21 O ATOM 77 N LYS 199 -12.412 28.396 44.608 1.00 61.32 N ATOM 78 CA LYS 199 -11.529 29.523 44.443 1.00 61.32 C ATOM 79 CB LYS 199 -11.387 30.370 45.723 1.00 61.32 C ATOM 80 CG LYS 199 -10.646 31.699 45.541 1.00 61.32 C ATOM 81 CD LYS 199 -10.734 32.612 46.771 1.00 61.32 C ATOM 82 CE LYS 199 -10.028 33.962 46.615 1.00 61.32 C ATOM 83 NZ LYS 199 -9.998 34.661 47.919 1.00 61.32 N ATOM 84 C LYS 199 -10.157 29.017 44.081 1.00 61.32 C ATOM 85 O LYS 199 -9.718 27.980 44.576 1.00 61.32 O ATOM 86 N SER 200 -9.434 29.760 43.212 1.00 92.98 N ATOM 87 CA SER 200 -8.135 29.323 42.773 1.00 92.98 C ATOM 88 CB SER 200 -8.011 29.286 41.244 1.00 92.98 C ATOM 89 OG SER 200 -8.345 30.555 40.704 1.00 92.98 O ATOM 90 C SER 200 -7.086 30.256 43.301 1.00 92.98 C ATOM 91 O SER 200 -7.340 31.439 43.507 1.00 92.98 O ATOM 92 N PHE 201 -5.861 29.725 43.531 1.00144.51 N ATOM 93 CA PHE 201 -4.804 30.512 44.112 1.00144.51 C ATOM 94 CB PHE 201 -4.460 30.074 45.545 1.00144.51 C ATOM 95 CG PHE 201 -5.635 30.306 46.430 1.00144.51 C ATOM 96 CD1 PHE 201 -6.666 29.393 46.483 1.00144.51 C ATOM 97 CD2 PHE 201 -5.713 31.448 47.191 1.00144.51 C ATOM 98 CE1 PHE 201 -7.752 29.607 47.300 1.00144.51 C ATOM 99 CE2 PHE 201 -6.794 31.666 48.009 1.00144.51 C ATOM 100 CZ PHE 201 -7.815 30.748 48.065 1.00144.51 C ATOM 101 C PHE 201 -3.537 30.311 43.337 1.00144.51 C ATOM 102 O PHE 201 -3.295 29.261 42.749 1.00144.51 O ATOM 103 N LYS 202 -2.695 31.360 43.302 1.00 88.96 N ATOM 104 CA LYS 202 -1.425 31.276 42.644 1.00 88.96 C ATOM 105 CB LYS 202 -0.793 32.650 42.379 1.00 88.96 C ATOM 106 CG LYS 202 0.235 32.594 41.251 1.00 88.96 C ATOM 107 CD LYS 202 0.460 33.944 40.574 1.00 88.96 C ATOM 108 CE LYS 202 1.080 33.823 39.180 1.00 88.96 C ATOM 109 NZ LYS 202 0.760 35.023 38.374 1.00 88.96 N ATOM 110 C LYS 202 -0.482 30.437 43.461 1.00 88.96 C ATOM 111 O LYS 202 0.371 29.743 42.906 1.00 88.96 O ATOM 112 N GLN 203 -0.601 30.484 44.807 1.00 44.03 N ATOM 113 CA GLN 203 0.337 29.794 45.657 1.00 44.03 C ATOM 114 CB GLN 203 0.999 30.726 46.687 1.00 44.03 C ATOM 115 CG GLN 203 1.797 31.876 46.069 1.00 44.03 C ATOM 116 CD GLN 203 2.249 32.774 47.212 1.00 44.03 C ATOM 117 OE1 GLN 203 2.141 32.410 48.383 1.00 44.03 O ATOM 118 NE2 GLN 203 2.778 33.977 46.869 1.00 44.03 N ATOM 119 C GLN 203 -0.366 28.741 46.462 1.00 44.03 C ATOM 120 O GLN 203 -1.492 28.931 46.919 1.00 44.03 O ATOM 121 N ASN 204 0.315 27.592 46.666 1.00 81.65 N ATOM 122 CA ASN 204 -0.236 26.497 47.414 1.00 81.65 C ATOM 123 CB ASN 204 0.604 25.210 47.362 1.00 81.65 C ATOM 124 CG ASN 204 1.880 25.413 48.160 1.00 81.65 C ATOM 125 OD1 ASN 204 2.579 26.412 48.011 1.00 81.65 O ATOM 126 ND2 ASN 204 2.187 24.436 49.055 1.00 81.65 N ATOM 127 C ASN 204 -0.382 26.885 48.856 1.00 81.65 C ATOM 128 O ASN 204 -1.354 26.502 49.505 1.00 81.65 O ATOM 129 N SER 205 0.584 27.655 49.399 1.00 60.88 N ATOM 130 CA SER 205 0.533 28.033 50.785 1.00 60.88 C ATOM 131 CB SER 205 1.738 28.883 51.229 1.00 60.88 C ATOM 132 OG SER 205 1.612 29.214 52.605 1.00 60.88 O ATOM 133 C SER 205 -0.694 28.862 51.015 1.00 60.88 C ATOM 134 O SER 205 -1.353 28.730 52.045 1.00 60.88 O ATOM 135 N SER 206 -1.034 29.748 50.057 1.00 25.85 N ATOM 136 CA SER 206 -2.177 30.607 50.198 1.00 25.85 C ATOM 137 CB SER 206 -2.328 31.604 49.029 1.00 25.85 C ATOM 138 OG SER 206 -1.215 32.483 48.972 1.00 25.85 O ATOM 139 C SER 206 -3.418 29.765 50.224 1.00 25.85 C ATOM 140 O SER 206 -4.355 30.051 50.965 1.00 25.85 O ATOM 141 N LEU 207 -3.456 28.697 49.401 1.00100.42 N ATOM 142 CA LEU 207 -4.613 27.847 49.339 1.00100.42 C ATOM 143 CB LEU 207 -4.461 26.723 48.289 1.00100.42 C ATOM 144 CG LEU 207 -5.667 25.767 48.143 1.00100.42 C ATOM 145 CD1 LEU 207 -5.815 24.813 49.342 1.00100.42 C ATOM 146 CD2 LEU 207 -6.956 26.551 47.843 1.00100.42 C ATOM 147 C LEU 207 -4.766 27.215 50.685 1.00100.42 C ATOM 148 O LEU 207 -5.870 27.108 51.215 1.00100.42 O ATOM 149 N GLU 208 -3.632 26.815 51.287 1.00 83.63 N ATOM 150 CA GLU 208 -3.619 26.138 52.553 1.00 83.63 C ATOM 151 CB GLU 208 -2.179 25.914 53.048 1.00 83.63 C ATOM 152 CG GLU 208 -2.078 25.334 54.458 1.00 83.63 C ATOM 153 CD GLU 208 -0.610 25.382 54.858 1.00 83.63 C ATOM 154 OE1 GLU 208 0.219 25.824 54.024 1.00 83.63 O ATOM 155 OE2 GLU 208 -0.296 24.979 56.011 1.00 83.63 O ATOM 156 C GLU 208 -4.283 26.998 53.579 1.00 83.63 C ATOM 157 O GLU 208 -5.110 26.525 54.355 1.00 83.63 O ATOM 158 N ALA 209 -3.933 28.296 53.614 1.00 25.76 N ATOM 159 CA ALA 209 -4.502 29.165 54.603 1.00 25.76 C ATOM 160 CB ALA 209 -3.903 30.578 54.568 1.00 25.76 C ATOM 161 C ALA 209 -5.979 29.281 54.364 1.00 25.76 C ATOM 162 O ALA 209 -6.781 29.264 55.299 1.00 25.76 O ATOM 163 N HIS 210 -6.382 29.381 53.086 1.00 51.73 N ATOM 164 CA HIS 210 -7.764 29.557 52.746 1.00 51.73 C ATOM 165 ND1 HIS 210 -10.246 30.888 51.103 1.00 51.73 N ATOM 166 CG HIS 210 -9.424 29.812 50.856 1.00 51.73 C ATOM 167 CB HIS 210 -7.977 29.735 51.233 1.00 51.73 C ATOM 168 NE2 HIS 210 -11.502 29.342 50.117 1.00 51.73 N ATOM 169 CD2 HIS 210 -10.206 28.878 50.250 1.00 51.73 C ATOM 170 CE1 HIS 210 -11.478 30.552 50.642 1.00 51.73 C ATOM 171 C HIS 210 -8.572 28.376 53.190 1.00 51.73 C ATOM 172 O HIS 210 -9.668 28.539 53.721 1.00 51.73 O ATOM 173 N ILE 211 -8.041 27.155 53.000 1.00 87.41 N ATOM 174 CA ILE 211 -8.747 25.941 53.308 1.00 87.41 C ATOM 175 CB ILE 211 -8.011 24.697 52.886 1.00 87.41 C ATOM 176 CG1 ILE 211 -8.971 23.501 52.827 1.00 87.41 C ATOM 177 CG2 ILE 211 -6.837 24.461 53.840 1.00 87.41 C ATOM 178 CD1 ILE 211 -8.376 22.293 52.107 1.00 87.41 C ATOM 179 C ILE 211 -9.028 25.876 54.779 1.00 87.41 C ATOM 180 O ILE 211 -10.065 25.370 55.207 1.00 87.41 O ATOM 181 N ARG 212 -8.104 26.400 55.600 1.00 73.66 N ATOM 182 CA ARG 212 -8.238 26.328 57.026 1.00 73.66 C ATOM 183 CB ARG 212 -7.134 27.105 57.757 1.00 73.66 C ATOM 184 CG ARG 212 -5.741 26.522 57.541 1.00 73.66 C ATOM 185 CD ARG 212 -4.642 27.247 58.315 1.00 73.66 C ATOM 186 NE ARG 212 -3.385 26.492 58.066 1.00 73.66 N ATOM 187 CZ ARG 212 -3.161 25.333 58.751 1.00 73.66 C ATOM 188 NH1 ARG 212 -4.096 24.900 59.646 1.00 73.66 N ATOM 189 NH2 ARG 212 -2.027 24.607 58.529 1.00 73.66 N ATOM 190 C ARG 212 -9.526 26.973 57.413 1.00 73.66 C ATOM 191 O ARG 212 -10.239 26.483 58.288 1.00 73.66 O ATOM 192 N ALA 213 -9.871 28.089 56.749 1.00 30.05 N ATOM 193 CA ALA 213 -11.039 28.824 57.131 1.00 30.05 C ATOM 194 CB ALA 213 -11.291 30.041 56.226 1.00 30.05 C ATOM 195 C ALA 213 -12.250 27.949 57.037 1.00 30.05 C ATOM 196 O ALA 213 -13.059 27.914 57.958 1.00 30.05 O ATOM 197 N HIS 214 -12.391 27.190 55.932 1.00 39.53 N ATOM 198 CA HIS 214 -13.579 26.401 55.788 1.00 39.53 C ATOM 199 ND1 HIS 214 -14.989 26.968 52.869 1.00 39.53 N ATOM 200 CG HIS 214 -13.800 26.383 53.240 1.00 39.53 C ATOM 201 CB HIS 214 -13.625 25.576 54.489 1.00 39.53 C ATOM 202 NE2 HIS 214 -13.520 27.447 51.273 1.00 39.53 N ATOM 203 CD2 HIS 214 -12.912 26.685 52.255 1.00 39.53 C ATOM 204 CE1 HIS 214 -14.766 27.591 51.685 1.00 39.53 C ATOM 205 C HIS 214 -13.642 25.417 56.904 1.00 39.53 C ATOM 206 O HIS 214 -14.654 25.309 57.595 1.00 39.53 O ATOM 207 N ASN 215 -12.529 24.695 57.124 1.00 47.78 N ATOM 208 CA ASN 215 -12.525 23.669 58.118 1.00 47.78 C ATOM 209 CB ASN 215 -11.335 22.713 57.967 1.00 47.78 C ATOM 210 CG ASN 215 -11.702 21.412 58.662 1.00 47.78 C ATOM 211 OD1 ASN 215 -12.107 21.402 59.824 1.00 47.78 O ATOM 212 ND2 ASN 215 -11.574 20.282 57.915 1.00 47.78 N ATOM 213 C ASN 215 -12.424 24.331 59.484 1.00 47.78 C ATOM 214 O ASN 215 -11.440 24.022 60.211 1.00 47.78 O ATOM 215 OXT ASN 215 -13.320 25.146 59.824 1.00 47.78 O