EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:12:40 REMARK 6 MODELLER OBJECTIVE FUNCTION: 100.1102 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 59.091 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1332.54993 REMARK 6 GA341 score: 0.88510 REMARK 6 Normalized DOPE score: -1.01161 REMARK 6 TEMPLATE: 2i13A02 75:A - 96:A MODELS 1: - 22: AT 59.1% ATOM 1 N GLU 213 -18.641 21.037 40.687 1.00 62.51 N ATOM 2 CA GLU 213 -19.552 21.400 41.799 1.00 62.51 C ATOM 3 CB GLU 213 -20.171 20.152 42.450 1.00 62.51 C ATOM 4 CG GLU 213 -21.241 19.452 41.616 1.00 62.51 C ATOM 5 CD GLU 213 -21.765 18.290 42.449 1.00 62.51 C ATOM 6 OE1 GLU 213 -20.971 17.345 42.699 1.00 62.51 O ATOM 7 OE2 GLU 213 -22.955 18.337 42.859 1.00 62.51 O ATOM 8 C GLU 213 -18.836 22.125 42.886 1.00 62.51 C ATOM 9 O GLU 213 -17.607 22.118 42.956 1.00 62.51 O ATOM 10 N LYS 214 -19.609 22.801 43.755 1.00 80.80 N ATOM 11 CA LYS 214 -19.037 23.467 44.887 1.00 80.80 C ATOM 12 CB LYS 214 -19.300 24.984 44.876 1.00 80.80 C ATOM 13 CG LYS 214 -18.559 25.696 43.740 1.00 80.80 C ATOM 14 CD LYS 214 -19.105 27.083 43.395 1.00 80.80 C ATOM 15 CE LYS 214 -20.213 27.051 42.339 1.00 80.80 C ATOM 16 NZ LYS 214 -20.630 28.431 42.014 1.00 80.80 N ATOM 17 C LYS 214 -19.720 22.875 46.078 1.00 80.80 C ATOM 18 O LYS 214 -20.756 23.349 46.537 1.00 80.80 O ATOM 19 N PRO 215 -19.129 21.824 46.567 1.00119.05 N ATOM 20 CA PRO 215 -19.646 21.045 47.658 1.00119.05 C ATOM 21 CD PRO 215 -18.035 21.168 45.874 1.00119.05 C ATOM 22 CB PRO 215 -18.788 19.777 47.700 1.00119.05 C ATOM 23 CG PRO 215 -17.529 20.128 46.883 1.00119.05 C ATOM 24 C PRO 215 -19.715 21.731 48.986 1.00119.05 C ATOM 25 O PRO 215 -20.580 21.359 49.779 1.00119.05 O ATOM 26 N TYR 216 -18.853 22.722 49.279 1.00 64.32 N ATOM 27 CA TYR 216 -18.912 23.215 50.624 1.00 64.32 C ATOM 28 CB TYR 216 -17.546 23.262 51.323 1.00 64.32 C ATOM 29 CG TYR 216 -17.083 21.852 51.349 1.00 64.32 C ATOM 30 CD1 TYR 216 -17.547 20.979 52.306 1.00 64.32 C ATOM 31 CD2 TYR 216 -16.187 21.412 50.405 1.00 64.32 C ATOM 32 CE1 TYR 216 -17.114 19.675 52.315 1.00 64.32 C ATOM 33 CE2 TYR 216 -15.752 20.110 50.412 1.00 64.32 C ATOM 34 CZ TYR 216 -16.216 19.240 51.370 1.00 64.32 C ATOM 35 OH TYR 216 -15.775 17.899 51.384 1.00 64.32 O ATOM 36 C TYR 216 -19.468 24.594 50.619 1.00 64.32 C ATOM 37 O TYR 216 -18.993 25.477 49.909 1.00 64.32 O ATOM 38 N THR 217 -20.514 24.801 51.443 1.00 33.55 N ATOM 39 CA THR 217 -21.141 26.083 51.495 1.00 33.55 C ATOM 40 CB THR 217 -22.621 26.013 51.266 1.00 33.55 C ATOM 41 OG1 THR 217 -22.886 25.427 50.001 1.00 33.55 O ATOM 42 CG2 THR 217 -23.205 27.432 51.308 1.00 33.55 C ATOM 43 C THR 217 -20.910 26.648 52.857 1.00 33.55 C ATOM 44 O THR 217 -20.888 25.925 53.852 1.00 33.55 O ATOM 45 N CYS 218 -20.678 27.972 52.932 1.00 84.65 N ATOM 46 CA CYS 218 -20.478 28.535 54.231 1.00 84.65 C ATOM 47 CB CYS 218 -19.551 29.761 54.286 1.00 84.65 C ATOM 48 SG CYS 218 -20.416 31.295 53.865 1.00 84.65 S ATOM 49 C CYS 218 -21.816 28.939 54.753 1.00 84.65 C ATOM 50 O CYS 218 -22.664 29.450 54.022 1.00 84.65 O ATOM 51 N THR 219 -22.032 28.719 56.059 1.00117.41 N ATOM 52 CA THR 219 -23.310 29.008 56.639 1.00117.41 C ATOM 53 CB THR 219 -23.453 28.525 58.052 1.00117.41 C ATOM 54 OG1 THR 219 -22.539 29.208 58.894 1.00117.41 O ATOM 55 CG2 THR 219 -23.192 27.008 58.088 1.00117.41 C ATOM 56 C THR 219 -23.578 30.484 56.640 1.00117.41 C ATOM 57 O THR 219 -24.729 30.903 56.506 1.00117.41 O ATOM 58 N GLU 220 -22.545 31.326 56.853 1.00124.06 N ATOM 59 CA GLU 220 -22.849 32.723 56.981 1.00124.06 C ATOM 60 CB GLU 220 -21.619 33.587 57.327 1.00124.06 C ATOM 61 CG GLU 220 -20.934 33.258 58.657 1.00124.06 C ATOM 62 CD GLU 220 -19.797 32.281 58.373 1.00124.06 C ATOM 63 OE1 GLU 220 -20.051 31.262 57.675 1.00124.06 O ATOM 64 OE2 GLU 220 -18.658 32.548 58.837 1.00124.06 O ATOM 65 C GLU 220 -23.399 33.315 55.712 1.00124.06 C ATOM 66 O GLU 220 -24.571 33.690 55.661 1.00124.06 O ATOM 67 N CYS 221 -22.550 33.432 54.663 1.00 73.84 N ATOM 68 CA CYS 221 -22.962 34.063 53.432 1.00 73.84 C ATOM 69 CB CYS 221 -21.828 34.757 52.645 1.00 73.84 C ATOM 70 SG CYS 221 -20.722 33.644 51.739 1.00 73.84 S ATOM 71 C CYS 221 -23.715 33.133 52.530 1.00 73.84 C ATOM 72 O CYS 221 -24.613 33.549 51.795 1.00 73.84 O ATOM 73 N GLY 222 -23.367 31.835 52.545 1.00 29.86 N ATOM 74 CA GLY 222 -24.038 30.912 51.678 1.00 29.86 C ATOM 75 C GLY 222 -23.230 30.729 50.428 1.00 29.86 C ATOM 76 O GLY 222 -23.683 30.083 49.484 1.00 29.86 O ATOM 77 N LYS 223 -22.007 31.292 50.366 1.00 66.17 N ATOM 78 CA LYS 223 -21.226 31.094 49.177 1.00 66.17 C ATOM 79 CB LYS 223 -20.062 32.087 49.005 1.00 66.17 C ATOM 80 CG LYS 223 -19.414 32.001 47.618 1.00 66.17 C ATOM 81 CD LYS 223 -18.475 33.159 47.276 1.00 66.17 C ATOM 82 CE LYS 223 -17.915 33.072 45.855 1.00 66.17 C ATOM 83 NZ LYS 223 -16.860 34.092 45.667 1.00 66.17 N ATOM 84 C LYS 223 -20.666 29.702 49.204 1.00 66.17 C ATOM 85 O LYS 223 -20.404 29.150 50.274 1.00 66.17 O ATOM 86 N SER 224 -20.462 29.099 48.010 1.00 54.66 N ATOM 87 CA SER 224 -20.009 27.735 47.949 1.00 54.66 C ATOM 88 CB SER 224 -20.933 26.826 47.115 1.00 54.66 C ATOM 89 OG SER 224 -22.183 26.677 47.772 1.00 54.66 O ATOM 90 C SER 224 -18.636 27.687 47.347 1.00 54.66 C ATOM 91 O SER 224 -18.264 28.551 46.556 1.00 54.66 O ATOM 92 N PHE 225 -17.842 26.658 47.725 1.00151.90 N ATOM 93 CA PHE 225 -16.485 26.558 47.258 1.00151.90 C ATOM 94 CB PHE 225 -15.456 26.875 48.362 1.00151.90 C ATOM 95 CG PHE 225 -15.614 28.302 48.773 1.00151.90 C ATOM 96 CD1 PHE 225 -16.520 28.652 49.749 1.00151.90 C ATOM 97 CD2 PHE 225 -14.863 29.292 48.181 1.00151.90 C ATOM 98 CE1 PHE 225 -16.676 29.963 50.134 1.00151.90 C ATOM 99 CE2 PHE 225 -15.013 30.605 48.562 1.00151.90 C ATOM 100 CZ PHE 225 -15.919 30.944 49.540 1.00151.90 C ATOM 101 C PHE 225 -16.212 25.152 46.815 1.00151.90 C ATOM 102 O PHE 225 -16.847 24.196 47.259 1.00151.90 O ATOM 103 N PRO 226 -15.288 25.014 45.904 1.00 76.32 N ATOM 104 CA PRO 226 -14.887 23.708 45.456 1.00 76.32 C ATOM 105 CD PRO 226 -15.097 26.013 44.867 1.00 76.32 C ATOM 106 CB PRO 226 -14.171 23.910 44.117 1.00 76.32 C ATOM 107 CG PRO 226 -13.971 25.431 44.002 1.00 76.32 C ATOM 108 C PRO 226 -14.089 22.943 46.473 1.00 76.32 C ATOM 109 O PRO 226 -14.058 21.718 46.376 1.00 76.32 O ATOM 110 N TYR 227 -13.421 23.606 47.442 1.00 49.00 N ATOM 111 CA TYR 227 -12.641 22.829 48.373 1.00 49.00 C ATOM 112 CB TYR 227 -11.127 22.865 48.105 1.00 49.00 C ATOM 113 CG TYR 227 -10.898 22.121 46.841 1.00 49.00 C ATOM 114 CD1 TYR 227 -10.669 20.766 46.872 1.00 49.00 C ATOM 115 CD2 TYR 227 -10.919 22.777 45.635 1.00 49.00 C ATOM 116 CE1 TYR 227 -10.463 20.070 45.704 1.00 49.00 C ATOM 117 CE2 TYR 227 -10.712 22.085 44.467 1.00 49.00 C ATOM 118 CZ TYR 227 -10.487 20.728 44.497 1.00 49.00 C ATOM 119 OH TYR 227 -10.278 20.019 43.294 1.00 49.00 O ATOM 120 C TYR 227 -12.857 23.300 49.780 1.00 49.00 C ATOM 121 O TYR 227 -13.161 24.468 50.025 1.00 49.00 O ATOM 122 N LYS 228 -12.695 22.379 50.755 1.00 75.28 N ATOM 123 CA LYS 228 -12.869 22.680 52.151 1.00 75.28 C ATOM 124 CB LYS 228 -12.626 21.480 53.088 1.00 75.28 C ATOM 125 CG LYS 228 -13.665 20.356 53.041 1.00 75.28 C ATOM 126 CD LYS 228 -13.249 19.148 53.886 1.00 75.28 C ATOM 127 CE LYS 228 -14.369 18.144 54.168 1.00 75.28 C ATOM 128 NZ LYS 228 -13.938 17.202 55.227 1.00 75.28 N ATOM 129 C LYS 228 -11.849 23.704 52.559 1.00 75.28 C ATOM 130 O LYS 228 -12.148 24.619 53.321 1.00 75.28 O ATOM 131 N SER 229 -10.607 23.574 52.053 1.00 61.45 N ATOM 132 CA SER 229 -9.543 24.449 52.457 1.00 61.45 C ATOM 133 CB SER 229 -8.212 24.107 51.766 1.00 61.45 C ATOM 134 OG SER 229 -7.195 25.004 52.187 1.00 61.45 O ATOM 135 C SER 229 -9.899 25.856 52.101 1.00 61.45 C ATOM 136 O SER 229 -9.682 26.773 52.895 1.00 61.45 O ATOM 137 N THR 230 -10.470 26.067 50.901 1.00 98.18 N ATOM 138 CA THR 230 -10.820 27.396 50.487 1.00 98.18 C ATOM 139 CB THR 230 -11.342 27.467 49.082 1.00 98.18 C ATOM 140 OG1 THR 230 -12.558 26.742 48.970 1.00 98.18 O ATOM 141 CG2 THR 230 -10.284 26.883 48.132 1.00 98.18 C ATOM 142 C THR 230 -11.900 27.929 51.382 1.00 98.18 C ATOM 143 O THR 230 -11.882 29.101 51.753 1.00 98.18 O ATOM 144 N LEU 231 -12.870 27.071 51.754 1.00102.42 N ATOM 145 CA LEU 231 -13.985 27.485 52.560 1.00102.42 C ATOM 146 CB LEU 231 -14.963 26.319 52.815 1.00102.42 C ATOM 147 CG LEU 231 -16.211 26.657 53.658 1.00102.42 C ATOM 148 CD1 LEU 231 -15.878 26.914 55.136 1.00102.42 C ATOM 149 CD2 LEU 231 -17.007 27.802 53.017 1.00102.42 C ATOM 150 C LEU 231 -13.444 27.976 53.865 1.00102.42 C ATOM 151 O LEU 231 -13.901 28.983 54.407 1.00102.42 O ATOM 152 N LYS 232 -12.430 27.280 54.400 1.00108.63 N ATOM 153 CA LYS 232 -11.881 27.675 55.661 1.00108.63 C ATOM 154 CB LYS 232 -10.706 26.790 56.101 1.00108.63 C ATOM 155 CG LYS 232 -10.104 27.203 57.445 1.00108.63 C ATOM 156 CD LYS 232 -9.132 26.164 58.003 1.00108.63 C ATOM 157 CE LYS 232 -7.843 26.028 57.189 1.00108.63 C ATOM 158 NZ LYS 232 -6.737 26.731 57.876 1.00108.63 N ATOM 159 C LYS 232 -11.341 29.063 55.537 1.00108.63 C ATOM 160 O LYS 232 -11.560 29.903 56.411 1.00108.63 O ATOM 161 N HIS 233 -10.645 29.350 54.425 1.00 31.92 N ATOM 162 CA HIS 233 -10.019 30.629 54.246 1.00 31.92 C ATOM 163 ND1 HIS 233 -8.648 33.132 52.387 1.00 31.92 N ATOM 164 CG HIS 233 -8.323 31.854 52.782 1.00 31.92 C ATOM 165 CB HIS 233 -9.297 30.716 52.889 1.00 31.92 C ATOM 166 NE2 HIS 233 -6.455 33.120 52.769 1.00 31.92 N ATOM 167 CD2 HIS 233 -6.983 31.863 53.013 1.00 31.92 C ATOM 168 CE1 HIS 233 -7.491 33.847 52.396 1.00 31.92 C ATOM 169 C HIS 233 -11.097 31.668 54.272 1.00 31.92 C ATOM 170 O HIS 233 -10.949 32.720 54.898 1.00 31.92 O ATOM 171 N HIS 234 -12.221 31.376 53.589 1.00 38.25 N ATOM 172 CA HIS 234 -13.348 32.261 53.504 1.00 38.25 C ATOM 173 ND1 HIS 234 -15.935 33.458 51.851 1.00 38.25 N ATOM 174 CG HIS 234 -15.799 32.476 52.808 1.00 38.25 C ATOM 175 CB HIS 234 -14.605 31.570 52.931 1.00 38.25 C ATOM 176 NE2 HIS 234 -17.780 33.521 53.091 1.00 38.25 N ATOM 177 CD2 HIS 234 -16.935 32.529 53.556 1.00 38.25 C ATOM 178 CE1 HIS 234 -17.136 34.051 52.067 1.00 38.25 C ATOM 179 C HIS 234 -13.694 32.793 54.892 1.00 38.25 C ATOM 180 O HIS 234 -13.991 31.967 55.796 1.00 38.25 O ATOM 181 OXT HIS 234 -13.672 34.042 55.062 1.00 38.25 O