EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:18:09 REMARK 6 MODELLER OBJECTIVE FUNCTION: 94.8417 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 54.545 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1359.72644 REMARK 6 GA341 score: 0.93101 REMARK 6 Normalized DOPE score: -0.38002 REMARK 6 TEMPLATE: 2i13A02 75:A - 96:A MODELS 1: - 22: AT 54.5% ATOM 1 N GLU 203 -11.779 12.360 47.436 1.00 63.44 N ATOM 2 CA GLU 203 -11.363 13.778 47.539 1.00 63.44 C ATOM 3 CB GLU 203 -12.527 14.735 47.232 1.00 63.44 C ATOM 4 CG GLU 203 -12.950 14.807 45.769 1.00 63.44 C ATOM 5 CD GLU 203 -14.067 15.836 45.692 1.00 63.44 C ATOM 6 OE1 GLU 203 -14.771 16.015 46.722 1.00 63.44 O ATOM 7 OE2 GLU 203 -14.230 16.456 44.607 1.00 63.44 O ATOM 8 C GLU 203 -10.939 14.111 48.924 1.00 63.44 C ATOM 9 O GLU 203 -10.649 13.242 49.745 1.00 63.44 O ATOM 10 N LYS 204 -10.880 15.423 49.198 1.00 95.24 N ATOM 11 CA LYS 204 -10.568 15.878 50.514 1.00 95.24 C ATOM 12 CB LYS 204 -9.224 16.625 50.562 1.00 95.24 C ATOM 13 CG LYS 204 -8.047 15.688 50.259 1.00 95.24 C ATOM 14 CD LYS 204 -6.733 16.390 49.903 1.00 95.24 C ATOM 15 CE LYS 204 -6.375 16.321 48.415 1.00 95.24 C ATOM 16 NZ LYS 204 -6.929 17.490 47.696 1.00 95.24 N ATOM 17 C LYS 204 -11.676 16.814 50.872 1.00 95.24 C ATOM 18 O LYS 204 -11.712 17.966 50.444 1.00 95.24 O ATOM 19 N PRO 205 -12.596 16.300 51.640 1.00121.75 N ATOM 20 CA PRO 205 -13.776 17.030 52.015 1.00121.75 C ATOM 21 CD PRO 205 -12.793 14.865 51.723 1.00121.75 C ATOM 22 CB PRO 205 -14.773 15.989 52.532 1.00121.75 C ATOM 23 CG PRO 205 -13.945 14.707 52.725 1.00121.75 C ATOM 24 C PRO 205 -13.577 18.176 52.952 1.00121.75 C ATOM 25 O PRO 205 -14.432 19.060 52.968 1.00121.75 O ATOM 26 N PHE 206 -12.493 18.201 53.750 1.00 63.51 N ATOM 27 CA PHE 206 -12.367 19.284 54.680 1.00 63.51 C ATOM 28 CB PHE 206 -11.956 18.847 56.096 1.00 63.51 C ATOM 29 CG PHE 206 -13.184 18.305 56.748 1.00 63.51 C ATOM 30 CD1 PHE 206 -14.016 19.148 57.448 1.00 63.51 C ATOM 31 CD2 PHE 206 -13.515 16.973 56.659 1.00 63.51 C ATOM 32 CE1 PHE 206 -15.154 18.675 58.055 1.00 63.51 C ATOM 33 CE2 PHE 206 -14.654 16.492 57.263 1.00 63.51 C ATOM 34 CZ PHE 206 -15.475 17.342 57.965 1.00 63.51 C ATOM 35 C PHE 206 -11.385 20.286 54.179 1.00 63.51 C ATOM 36 O PHE 206 -10.247 19.963 53.843 1.00 63.51 O ATOM 37 N THR 207 -11.826 21.558 54.146 1.00 35.90 N ATOM 38 CA THR 207 -11.020 22.627 53.642 1.00 35.90 C ATOM 39 CB THR 207 -11.705 23.426 52.571 1.00 35.90 C ATOM 40 OG1 THR 207 -12.005 22.604 51.454 1.00 35.90 O ATOM 41 CG2 THR 207 -10.789 24.592 52.162 1.00 35.90 C ATOM 42 C THR 207 -10.730 23.583 54.754 1.00 35.90 C ATOM 43 O THR 207 -11.592 23.880 55.581 1.00 35.90 O ATOM 44 N CYS 208 -9.475 24.078 54.803 1.00 43.52 N ATOM 45 CA CYS 208 -9.108 25.060 55.779 1.00 43.52 C ATOM 46 CB CYS 208 -7.593 25.272 55.931 1.00 43.52 C ATOM 47 SG CYS 208 -7.184 26.551 57.163 1.00 43.52 S ATOM 48 C CYS 208 -9.679 26.358 55.326 1.00 43.52 C ATOM 49 O CYS 208 -9.544 26.747 54.169 1.00 43.52 O ATOM 50 N THR 209 -10.323 27.083 56.251 1.00 41.66 N ATOM 51 CA THR 209 -10.956 28.319 55.909 1.00 41.66 C ATOM 52 CB THR 209 -11.681 28.905 57.081 1.00 41.66 C ATOM 53 OG1 THR 209 -12.622 27.970 57.592 1.00 41.66 O ATOM 54 CG2 THR 209 -12.408 30.177 56.617 1.00 41.66 C ATOM 55 C THR 209 -9.930 29.324 55.465 1.00 41.66 C ATOM 56 O THR 209 -10.127 30.022 54.470 1.00 41.66 O ATOM 57 N GLN 210 -8.812 29.452 56.210 1.00 64.69 N ATOM 58 CA GLN 210 -7.871 30.485 55.867 1.00 64.69 C ATOM 59 CB GLN 210 -6.831 30.723 56.979 1.00 64.69 C ATOM 60 CG GLN 210 -5.821 31.830 56.662 1.00 64.69 C ATOM 61 CD GLN 210 -4.865 31.927 57.839 1.00 64.69 C ATOM 62 OE1 GLN 210 -5.004 31.207 58.827 1.00 64.69 O ATOM 63 NE2 GLN 210 -3.865 32.842 57.732 1.00 64.69 N ATOM 64 C GLN 210 -7.106 30.222 54.598 1.00 64.69 C ATOM 65 O GLN 210 -7.157 31.027 53.666 1.00 64.69 O ATOM 66 N CYS 211 -6.365 29.089 54.545 1.00 59.32 N ATOM 67 CA CYS 211 -5.512 28.764 53.424 1.00 59.32 C ATOM 68 CB CYS 211 -4.410 27.750 53.776 1.00 59.32 C ATOM 69 SG CYS 211 -5.072 26.156 54.336 1.00 59.32 S ATOM 70 C CYS 211 -6.282 28.248 52.245 1.00 59.32 C ATOM 71 O CYS 211 -5.991 28.601 51.105 1.00 59.32 O ATOM 72 N GLY 212 -7.294 27.391 52.485 1.00 28.72 N ATOM 73 CA GLY 212 -8.036 26.837 51.390 1.00 28.72 C ATOM 74 C GLY 212 -7.510 25.465 51.064 1.00 28.72 C ATOM 75 O GLY 212 -7.976 24.836 50.116 1.00 28.72 O ATOM 76 N LYS 213 -6.522 24.956 51.831 1.00 66.69 N ATOM 77 CA LYS 213 -6.003 23.642 51.556 1.00 66.69 C ATOM 78 CB LYS 213 -4.654 23.354 52.240 1.00 66.69 C ATOM 79 CG LYS 213 -4.034 22.031 51.791 1.00 66.69 C ATOM 80 CD LYS 213 -2.533 21.904 52.072 1.00 66.69 C ATOM 81 CE LYS 213 -1.947 20.595 51.531 1.00 66.69 C ATOM 82 NZ LYS 213 -0.469 20.625 51.595 1.00 66.69 N ATOM 83 C LYS 213 -7.006 22.622 52.013 1.00 66.69 C ATOM 84 O LYS 213 -7.743 22.853 52.971 1.00 66.69 O ATOM 85 N SER 214 -7.065 21.456 51.328 1.00 53.11 N ATOM 86 CA SER 214 -8.058 20.471 51.673 1.00 53.11 C ATOM 87 CB SER 214 -8.947 20.047 50.489 1.00 53.11 C ATOM 88 OG SER 214 -9.719 21.149 50.036 1.00 53.11 O ATOM 89 C SER 214 -7.395 19.223 52.184 1.00 53.11 C ATOM 90 O SER 214 -6.261 18.914 51.820 1.00 53.11 O ATOM 91 N PHE 215 -8.114 18.468 53.051 1.00148.16 N ATOM 92 CA PHE 215 -7.570 17.280 53.662 1.00148.16 C ATOM 93 CB PHE 215 -7.230 17.472 55.155 1.00148.16 C ATOM 94 CG PHE 215 -6.120 18.464 55.277 1.00148.16 C ATOM 95 CD1 PHE 215 -6.383 19.817 55.284 1.00148.16 C ATOM 96 CD2 PHE 215 -4.813 18.044 55.378 1.00148.16 C ATOM 97 CE1 PHE 215 -5.364 20.733 55.391 1.00148.16 C ATOM 98 CE2 PHE 215 -3.786 18.954 55.488 1.00148.16 C ATOM 99 CZ PHE 215 -4.062 20.301 55.492 1.00148.16 C ATOM 100 C PHE 215 -8.577 16.160 53.598 1.00148.16 C ATOM 101 O PHE 215 -9.786 16.371 53.525 1.00148.16 O ATOM 102 N ASN 216 -8.072 14.910 53.606 1.00 41.17 N ATOM 103 CA ASN 216 -8.895 13.732 53.578 1.00 41.17 C ATOM 104 CB ASN 216 -8.088 12.442 53.344 1.00 41.17 C ATOM 105 CG ASN 216 -7.031 12.325 54.428 1.00 41.17 C ATOM 106 OD1 ASN 216 -6.315 13.283 54.710 1.00 41.17 O ATOM 107 ND2 ASN 216 -6.924 11.118 55.045 1.00 41.17 N ATOM 108 C ASN 216 -9.660 13.592 54.863 1.00 41.17 C ATOM 109 O ASN 216 -10.807 13.147 54.852 1.00 41.17 O ATOM 110 N PHE 217 -9.052 13.946 56.015 1.00103.41 N ATOM 111 CA PHE 217 -9.789 13.768 57.237 1.00103.41 C ATOM 112 CB PHE 217 -9.337 12.588 58.123 1.00103.41 C ATOM 113 CG PHE 217 -9.882 11.329 57.529 1.00103.41 C ATOM 114 CD1 PHE 217 -11.213 11.024 57.701 1.00103.41 C ATOM 115 CD2 PHE 217 -9.096 10.470 56.794 1.00103.41 C ATOM 116 CE1 PHE 217 -11.751 9.877 57.165 1.00103.41 C ATOM 117 CE2 PHE 217 -9.628 9.320 56.256 1.00103.41 C ATOM 118 CZ PHE 217 -10.957 9.018 56.443 1.00103.41 C ATOM 119 C PHE 217 -9.777 15.007 58.077 1.00103.41 C ATOM 120 O PHE 217 -8.885 15.850 57.989 1.00103.41 O ATOM 121 N SER 218 -10.817 15.114 58.932 1.00 29.21 N ATOM 122 CA SER 218 -11.073 16.232 59.797 1.00 29.21 C ATOM 123 CB SER 218 -12.362 16.064 60.620 1.00 29.21 C ATOM 124 OG SER 218 -13.494 15.986 59.766 1.00 29.21 O ATOM 125 C SER 218 -9.968 16.377 60.790 1.00 29.21 C ATOM 126 O SER 218 -9.521 17.488 61.074 1.00 29.21 O ATOM 127 N SER 219 -9.486 15.254 61.345 1.00 60.35 N ATOM 128 CA SER 219 -8.472 15.322 62.354 1.00 60.35 C ATOM 129 CB SER 219 -8.069 13.934 62.879 1.00 60.35 C ATOM 130 OG SER 219 -7.054 14.062 63.863 1.00 60.35 O ATOM 131 C SER 219 -7.257 15.963 61.766 1.00 60.35 C ATOM 132 O SER 219 -6.601 16.773 62.419 1.00 60.35 O ATOM 133 N ASN 220 -6.941 15.624 60.506 1.00 45.20 N ATOM 134 CA ASN 220 -5.769 16.134 59.866 1.00 45.20 C ATOM 135 CB ASN 220 -5.582 15.558 58.452 1.00 45.20 C ATOM 136 CG ASN 220 -5.281 14.075 58.586 1.00 45.20 C ATOM 137 OD1 ASN 220 -5.969 13.346 59.299 1.00 45.20 O ATOM 138 ND2 ASN 220 -4.207 13.616 57.892 1.00 45.20 N ATOM 139 C ASN 220 -5.879 17.618 59.714 1.00 45.20 C ATOM 140 O ASN 220 -4.920 18.342 59.977 1.00 45.20 O ATOM 141 N LEU 221 -7.058 18.122 59.299 1.00101.98 N ATOM 142 CA LEU 221 -7.190 19.529 59.032 1.00101.98 C ATOM 143 CB LEU 221 -8.598 19.909 58.522 1.00101.98 C ATOM 144 CG LEU 221 -8.746 21.321 57.903 1.00101.98 C ATOM 145 CD1 LEU 221 -10.195 21.583 57.475 1.00101.98 C ATOM 146 CD2 LEU 221 -8.206 22.449 58.794 1.00101.98 C ATOM 147 C LEU 221 -6.944 20.267 60.311 1.00101.98 C ATOM 148 O LEU 221 -6.205 21.250 60.340 1.00101.98 O ATOM 149 N TYR 222 -7.524 19.788 61.427 1.00 99.38 N ATOM 150 CA TYR 222 -7.328 20.499 62.657 1.00 99.38 C ATOM 151 CB TYR 222 -8.147 19.952 63.837 1.00 99.38 C ATOM 152 CG TYR 222 -9.494 20.577 63.720 1.00 99.38 C ATOM 153 CD1 TYR 222 -10.345 20.271 62.681 1.00 99.38 C ATOM 154 CD2 TYR 222 -9.904 21.468 64.685 1.00 99.38 C ATOM 155 CE1 TYR 222 -11.583 20.863 62.600 1.00 99.38 C ATOM 156 CE2 TYR 222 -11.140 22.061 64.606 1.00 99.38 C ATOM 157 CZ TYR 222 -11.982 21.756 63.566 1.00 99.38 C ATOM 158 OH TYR 222 -13.249 22.367 63.493 1.00 99.38 O ATOM 159 C TYR 222 -5.875 20.529 63.002 1.00 99.38 C ATOM 160 O TYR 222 -5.362 21.553 63.449 1.00 99.38 O ATOM 161 N ARG 223 -5.156 19.418 62.787 1.00 63.11 N ATOM 162 CA ARG 223 -3.768 19.411 63.136 1.00 63.11 C ATOM 163 CB ARG 223 -3.077 18.078 62.804 1.00 63.11 C ATOM 164 CG ARG 223 -1.663 17.975 63.382 1.00 63.11 C ATOM 165 CD ARG 223 -0.833 16.826 62.810 1.00 63.11 C ATOM 166 NE ARG 223 0.467 16.795 63.540 1.00 63.11 N ATOM 167 CZ ARG 223 1.463 17.678 63.238 1.00 63.11 C ATOM 168 NH1 ARG 223 1.261 18.661 62.316 1.00 63.11 N ATOM 169 NH2 ARG 223 2.670 17.587 63.872 1.00 63.11 N ATOM 170 C ARG 223 -3.097 20.478 62.329 1.00 63.11 C ATOM 171 O ARG 223 -2.225 21.188 62.827 1.00 63.11 O ATOM 172 N HIS 224 -3.508 20.608 61.052 1.00 42.63 N ATOM 173 CA HIS 224 -2.971 21.565 60.124 1.00 42.63 C ATOM 174 ND1 HIS 224 -2.153 22.457 57.134 1.00 42.63 N ATOM 175 CG HIS 224 -3.290 22.691 57.870 1.00 42.63 C ATOM 176 CB HIS 224 -3.856 21.732 58.872 1.00 42.63 C ATOM 177 NE2 HIS 224 -2.886 24.468 56.540 1.00 42.63 N ATOM 178 CD2 HIS 224 -3.727 23.925 57.493 1.00 42.63 C ATOM 179 CE1 HIS 224 -1.955 23.551 56.355 1.00 42.63 C ATOM 180 C HIS 224 -2.807 22.932 60.788 1.00 42.63 C ATOM 181 O HIS 224 -3.838 23.588 61.093 1.00 42.63 O ATOM 182 OXT HIS 224 -1.631 23.340 60.991 1.00 42.63 O