EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:16:31 REMARK 6 MODELLER OBJECTIVE FUNCTION: 104.4478 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 56.000 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1562.23901 REMARK 6 GA341 score: 0.97508 REMARK 6 Normalized DOPE score: -0.48652 REMARK 6 TEMPLATE: 2i13A02 75:A - 99:A MODELS 1: - 25: AT 56.0% ATOM 1 N GLU 203 -13.154 43.921 55.946 1.00 30.65 N ATOM 2 CA GLU 203 -13.822 42.611 55.768 1.00 30.65 C ATOM 3 CB GLU 203 -15.071 42.786 54.885 1.00 30.65 C ATOM 4 CG GLU 203 -15.882 41.502 54.694 1.00 30.65 C ATOM 5 CD GLU 203 -17.100 41.819 53.835 1.00 30.65 C ATOM 6 OE1 GLU 203 -17.989 42.568 54.325 1.00 30.65 O ATOM 7 OE2 GLU 203 -17.166 41.314 52.683 1.00 30.65 O ATOM 8 C GLU 203 -12.902 41.596 55.153 1.00 30.65 C ATOM 9 O GLU 203 -11.981 41.939 54.412 1.00 30.65 O ATOM 10 N LYS 204 -13.114 40.302 55.472 1.00118.73 N ATOM 11 CA LYS 204 -12.256 39.277 54.943 1.00118.73 C ATOM 12 CB LYS 204 -11.597 38.437 56.055 1.00118.73 C ATOM 13 CG LYS 204 -10.490 39.195 56.800 1.00118.73 C ATOM 14 CD LYS 204 -10.967 40.475 57.483 1.00118.73 C ATOM 15 CE LYS 204 -11.606 40.279 58.859 1.00118.73 C ATOM 16 NZ LYS 204 -11.979 41.603 59.411 1.00118.73 N ATOM 17 C LYS 204 -13.095 38.365 54.096 1.00118.73 C ATOM 18 O LYS 204 -13.727 37.424 54.573 1.00118.73 O ATOM 19 N PRO 205 -13.102 38.661 52.825 1.00102.66 N ATOM 20 CA PRO 205 -13.889 37.894 51.896 1.00102.66 C ATOM 21 CD PRO 205 -12.996 40.054 52.414 1.00102.66 C ATOM 22 CB PRO 205 -14.018 38.754 50.643 1.00102.66 C ATOM 23 CG PRO 205 -13.892 40.189 51.174 1.00102.66 C ATOM 24 C PRO 205 -13.404 36.514 51.589 1.00102.66 C ATOM 25 O PRO 205 -14.207 35.700 51.139 1.00102.66 O ATOM 26 N PHE 206 -12.113 36.204 51.798 1.00 58.79 N ATOM 27 CA PHE 206 -11.680 34.911 51.355 1.00 58.79 C ATOM 28 CB PHE 206 -10.354 34.956 50.581 1.00 58.79 C ATOM 29 CG PHE 206 -10.586 35.813 49.388 1.00 58.79 C ATOM 30 CD1 PHE 206 -11.173 35.301 48.256 1.00 58.79 C ATOM 31 CD2 PHE 206 -10.211 37.137 49.405 1.00 58.79 C ATOM 32 CE1 PHE 206 -11.386 36.102 47.160 1.00 58.79 C ATOM 33 CE2 PHE 206 -10.421 37.941 48.312 1.00 58.79 C ATOM 34 CZ PHE 206 -11.006 37.422 47.183 1.00 58.79 C ATOM 35 C PHE 206 -11.498 34.025 52.545 1.00 58.79 C ATOM 36 O PHE 206 -10.740 34.343 53.462 1.00 58.79 O ATOM 37 N THR 207 -12.181 32.861 52.548 1.00101.88 N ATOM 38 CA THR 207 -12.071 31.983 53.677 1.00101.88 C ATOM 39 CB THR 207 -13.374 31.646 54.351 1.00101.88 C ATOM 40 OG1 THR 207 -13.122 31.005 55.592 1.00101.88 O ATOM 41 CG2 THR 207 -14.177 30.708 53.436 1.00101.88 C ATOM 42 C THR 207 -11.442 30.694 53.246 1.00101.88 C ATOM 43 O THR 207 -11.649 30.205 52.136 1.00101.88 O ATOM 44 N CYS 208 -10.610 30.130 54.145 1.00 50.14 N ATOM 45 CA CYS 208 -9.920 28.891 53.910 1.00 50.14 C ATOM 46 CB CYS 208 -8.772 28.666 54.909 1.00 50.14 C ATOM 47 SG CYS 208 -7.907 27.084 54.674 1.00 50.14 S ATOM 48 C CYS 208 -10.890 27.759 54.054 1.00 50.14 C ATOM 49 O CYS 208 -11.637 27.677 55.028 1.00 50.14 O ATOM 50 N THR 209 -10.875 26.838 53.074 1.00 42.14 N ATOM 51 CA THR 209 -11.778 25.730 53.072 1.00 42.14 C ATOM 52 CB THR 209 -11.589 24.873 51.854 1.00 42.14 C ATOM 53 OG1 THR 209 -11.780 25.644 50.677 1.00 42.14 O ATOM 54 CG2 THR 209 -12.604 23.724 51.904 1.00 42.14 C ATOM 55 C THR 209 -11.520 24.867 54.271 1.00 42.14 C ATOM 56 O THR 209 -12.451 24.493 54.986 1.00 42.14 O ATOM 57 N GLN 210 -10.247 24.494 54.512 1.00110.89 N ATOM 58 CA GLN 210 -10.009 23.592 55.602 1.00110.89 C ATOM 59 CB GLN 210 -8.617 22.933 55.545 1.00110.89 C ATOM 60 CG GLN 210 -8.436 21.995 54.345 1.00110.89 C ATOM 61 CD GLN 210 -7.040 21.385 54.404 1.00110.89 C ATOM 62 OE1 GLN 210 -6.243 21.717 55.279 1.00110.89 O ATOM 63 NE2 GLN 210 -6.732 20.460 53.455 1.00110.89 N ATOM 64 C GLN 210 -10.159 24.215 56.965 1.00110.89 C ATOM 65 O GLN 210 -10.926 23.727 57.793 1.00110.89 O ATOM 66 N CYS 211 -9.400 25.299 57.225 1.00103.06 N ATOM 67 CA CYS 211 -9.319 25.958 58.506 1.00103.06 C ATOM 68 CB CYS 211 -8.110 26.903 58.583 1.00103.06 C ATOM 69 SG CYS 211 -8.024 27.758 60.181 1.00103.06 S ATOM 70 C CYS 211 -10.530 26.772 58.840 1.00103.06 C ATOM 71 O CYS 211 -11.012 26.732 59.971 1.00103.06 O ATOM 72 N GLY 212 -11.049 27.549 57.869 1.00 27.01 N ATOM 73 CA GLY 212 -12.180 28.395 58.127 1.00 27.01 C ATOM 74 C GLY 212 -11.708 29.791 58.423 1.00 27.01 C ATOM 75 O GLY 212 -12.520 30.684 58.656 1.00 27.01 O ATOM 76 N LYS 213 -10.381 30.026 58.418 1.00 73.97 N ATOM 77 CA LYS 213 -9.878 31.344 58.698 1.00 73.97 C ATOM 78 CB LYS 213 -8.368 31.366 59.012 1.00 73.97 C ATOM 79 CG LYS 213 -7.885 32.640 59.711 1.00 73.97 C ATOM 80 CD LYS 213 -6.497 32.502 60.342 1.00 73.97 C ATOM 81 CE LYS 213 -6.127 33.654 61.278 1.00 73.97 C ATOM 82 NZ LYS 213 -5.907 33.143 62.647 1.00 73.97 N ATOM 83 C LYS 213 -10.132 32.210 57.495 1.00 73.97 C ATOM 84 O LYS 213 -10.122 31.728 56.361 1.00 73.97 O ATOM 85 N SER 214 -10.370 33.524 57.719 1.00 53.00 N ATOM 86 CA SER 214 -10.679 34.417 56.630 1.00 53.00 C ATOM 87 CB SER 214 -11.982 35.209 56.827 1.00 53.00 C ATOM 88 OG SER 214 -13.081 34.313 56.865 1.00 53.00 O ATOM 89 C SER 214 -9.570 35.408 56.460 1.00 53.00 C ATOM 90 O SER 214 -8.871 35.747 57.415 1.00 53.00 O ATOM 91 N PHE 215 -9.385 35.894 55.211 1.00150.68 N ATOM 92 CA PHE 215 -8.294 36.780 54.911 1.00150.68 C ATOM 93 CB PHE 215 -7.185 36.086 54.095 1.00150.68 C ATOM 94 CG PHE 215 -6.593 35.038 54.976 1.00150.68 C ATOM 95 CD1 PHE 215 -7.142 33.776 55.042 1.00150.68 C ATOM 96 CD2 PHE 215 -5.500 35.325 55.760 1.00150.68 C ATOM 97 CE1 PHE 215 -6.600 32.812 55.861 1.00150.68 C ATOM 98 CE2 PHE 215 -4.953 34.365 56.580 1.00150.68 C ATOM 99 CZ PHE 215 -5.505 33.108 56.636 1.00150.68 C ATOM 100 C PHE 215 -8.776 37.952 54.108 1.00150.68 C ATOM 101 O PHE 215 -9.765 37.877 53.380 1.00150.68 O ATOM 102 N SER 216 -8.063 39.088 54.252 1.00 80.98 N ATOM 103 CA SER 216 -8.356 40.308 53.552 1.00 80.98 C ATOM 104 CB SER 216 -7.433 41.461 53.968 1.00 80.98 C ATOM 105 OG SER 216 -7.509 41.667 55.367 1.00 80.98 O ATOM 106 C SER 216 -8.069 40.113 52.097 1.00 80.98 C ATOM 107 O SER 216 -8.782 40.635 51.241 1.00 80.98 O ATOM 108 N GLN 217 -7.003 39.354 51.770 1.00 56.84 N ATOM 109 CA GLN 217 -6.636 39.280 50.386 1.00 56.84 C ATOM 110 CB GLN 217 -5.358 40.076 50.073 1.00 56.84 C ATOM 111 CG GLN 217 -5.573 41.583 50.220 1.00 56.84 C ATOM 112 CD GLN 217 -4.226 42.280 50.102 1.00 56.84 C ATOM 113 OE1 GLN 217 -3.989 43.056 49.177 1.00 56.84 O ATOM 114 NE2 GLN 217 -3.321 42.000 51.076 1.00 56.84 N ATOM 115 C GLN 217 -6.442 37.868 49.943 1.00 56.84 C ATOM 116 O GLN 217 -6.109 36.974 50.720 1.00 56.84 O ATOM 117 N SER 218 -6.653 37.662 48.628 1.00 67.57 N ATOM 118 CA SER 218 -6.549 36.383 47.994 1.00 67.57 C ATOM 119 CB SER 218 -6.858 36.444 46.493 1.00 67.57 C ATOM 120 OG SER 218 -6.680 35.160 45.913 1.00 67.57 O ATOM 121 C SER 218 -5.147 35.895 48.113 1.00 67.57 C ATOM 122 O SER 218 -4.917 34.712 48.357 1.00 67.57 O ATOM 123 N SER 219 -4.169 36.807 47.967 1.00 31.30 N ATOM 124 CA SER 219 -2.795 36.398 47.972 1.00 31.30 C ATOM 125 CB SER 219 -1.818 37.579 47.832 1.00 31.30 C ATOM 126 OG SER 219 -1.946 38.442 48.953 1.00 31.30 O ATOM 127 C SER 219 -2.490 35.732 49.272 1.00 31.30 C ATOM 128 O SER 219 -1.885 34.661 49.300 1.00 31.30 O ATOM 129 N SER 220 -2.916 36.342 50.394 1.00 34.67 N ATOM 130 CA SER 220 -2.602 35.774 51.671 1.00 34.67 C ATOM 131 CB SER 220 -2.999 36.666 52.859 1.00 34.67 C ATOM 132 OG SER 220 -2.150 37.802 52.918 1.00 34.67 O ATOM 133 C SER 220 -3.302 34.458 51.820 1.00 34.67 C ATOM 134 O SER 220 -2.755 33.530 52.413 1.00 34.67 O ATOM 135 N LEU 221 -4.522 34.327 51.264 1.00116.07 N ATOM 136 CA LEU 221 -5.260 33.104 51.420 1.00116.07 C ATOM 137 CB LEU 221 -6.626 33.156 50.703 1.00116.07 C ATOM 138 CG LEU 221 -7.652 32.093 51.150 1.00116.07 C ATOM 139 CD1 LEU 221 -8.784 31.950 50.123 1.00116.07 C ATOM 140 CD2 LEU 221 -7.000 30.763 51.557 1.00116.07 C ATOM 141 C LEU 221 -4.441 32.008 50.785 1.00116.07 C ATOM 142 O LEU 221 -4.272 30.931 51.357 1.00116.07 O ATOM 143 N ASN 222 -3.863 32.276 49.597 1.00 47.88 N ATOM 144 CA ASN 222 -3.092 31.272 48.911 1.00 47.88 C ATOM 145 CB ASN 222 -2.441 31.747 47.595 1.00 47.88 C ATOM 146 CG ASN 222 -3.412 31.585 46.435 1.00 47.88 C ATOM 147 OD1 ASN 222 -4.468 30.967 46.564 1.00 47.88 O ATOM 148 ND2 ASN 222 -3.026 32.124 45.247 1.00 47.88 N ATOM 149 C ASN 222 -1.955 30.824 49.772 1.00 47.88 C ATOM 150 O ASN 222 -1.672 29.630 49.861 1.00 47.88 O ATOM 151 N LEU 223 -1.261 31.773 50.427 1.00 81.48 N ATOM 152 CA LEU 223 -0.134 31.417 51.244 1.00 81.48 C ATOM 153 CB LEU 223 0.519 32.623 51.930 1.00 81.48 C ATOM 154 CG LEU 223 1.576 32.212 52.969 1.00 81.48 C ATOM 155 CD1 LEU 223 2.772 31.494 52.324 1.00 81.48 C ATOM 156 CD2 LEU 223 1.985 33.406 53.838 1.00 81.48 C ATOM 157 C LEU 223 -0.600 30.533 52.352 1.00 81.48 C ATOM 158 O LEU 223 0.032 29.525 52.665 1.00 81.48 O ATOM 159 N HIS 224 -1.744 30.885 52.958 1.00 50.78 N ATOM 160 CA HIS 224 -2.230 30.158 54.088 1.00 50.78 C ATOM 161 ND1 HIS 224 -3.611 30.239 57.099 1.00 50.78 N ATOM 162 CG HIS 224 -4.079 30.032 55.824 1.00 50.78 C ATOM 163 CB HIS 224 -3.554 30.738 54.615 1.00 50.78 C ATOM 164 NE2 HIS 224 -5.244 28.736 57.250 1.00 50.78 N ATOM 165 CD2 HIS 224 -5.077 29.112 55.931 1.00 50.78 C ATOM 166 CE1 HIS 224 -4.344 29.437 57.915 1.00 50.78 C ATOM 167 C HIS 224 -2.473 28.748 53.672 1.00 50.78 C ATOM 168 O HIS 224 -2.142 27.819 54.398 1.00 50.78 O ATOM 169 N MET 225 -3.029 28.546 52.469 1.00 95.19 N ATOM 170 CA MET 225 -3.307 27.211 52.033 1.00 95.19 C ATOM 171 CB MET 225 -3.958 27.149 50.640 1.00 95.19 C ATOM 172 CG MET 225 -5.420 27.599 50.628 1.00 95.19 C ATOM 173 SD MET 225 -6.531 26.472 51.528 1.00 95.19 S ATOM 174 CE MET 225 -7.958 27.594 51.530 1.00 95.19 C ATOM 175 C MET 225 -2.031 26.434 51.953 1.00 95.19 C ATOM 176 O MET 225 -2.007 25.251 52.292 1.00 95.19 O ATOM 177 N ARG 226 -0.938 27.067 51.490 1.00 81.08 N ATOM 178 CA ARG 226 0.283 26.333 51.351 1.00 81.08 C ATOM 179 CB ARG 226 1.424 27.197 50.784 1.00 81.08 C ATOM 180 CG ARG 226 2.656 26.386 50.387 1.00 81.08 C ATOM 181 CD ARG 226 3.811 27.218 49.824 1.00 81.08 C ATOM 182 NE ARG 226 3.331 27.874 48.576 1.00 81.08 N ATOM 183 CZ ARG 226 4.197 28.593 47.804 1.00 81.08 C ATOM 184 NH1 ARG 226 5.518 28.653 48.136 1.00 81.08 N ATOM 185 NH2 ARG 226 3.743 29.236 46.689 1.00 81.08 N ATOM 186 C ARG 226 0.688 25.841 52.709 1.00 81.08 C ATOM 187 O ARG 226 1.034 24.672 52.878 1.00 81.08 O ATOM 188 N ILE 227 0.632 26.715 53.732 1.00 26.06 N ATOM 189 CA ILE 227 1.045 26.308 55.046 1.00 26.06 C ATOM 190 CB ILE 227 1.367 27.460 55.957 1.00 26.06 C ATOM 191 CG1 ILE 227 2.670 28.147 55.517 1.00 26.06 C ATOM 192 CG2 ILE 227 1.387 26.945 57.403 1.00 26.06 C ATOM 193 CD1 ILE 227 2.963 29.438 56.284 1.00 26.06 C ATOM 194 C ILE 227 -0.050 25.490 55.714 1.00 26.06 C ATOM 195 O ILE 227 0.236 24.320 56.078 1.00 26.06 O ATOM 196 OXT ILE 227 -1.175 26.025 55.893 1.00 26.06 O