EXPDTA forecast-s_AL1-scwrl MODEL 1 REMARK 44 REMARK 44 model 1 is called forecast-s_AL1-scwrl ATOM 1 N MET A 1 6.375 20.118 9.179 1.00 0.00 ATOM 2 CA MET A 1 6.950 21.457 9.494 1.00 0.00 ATOM 3 CB MET A 1 5.950 22.295 10.292 1.00 0.00 ATOM 4 CG MET A 1 4.700 22.677 9.515 1.00 0.00 ATOM 5 SD MET A 1 5.061 23.711 8.082 1.00 0.00 ATOM 6 CE MET A 1 5.554 25.237 8.881 1.00 0.00 ATOM 7 O MET A 1 8.379 20.184 10.939 1.00 0.00 ATOM 8 C MET A 1 8.214 21.238 10.317 1.00 0.00 ATOM 9 N ASP A 2 9.160 39.687 11.379 1.00 0.00 ATOM 10 CA ASP A 2 7.841 39.753 12.044 1.00 0.00 ATOM 11 CB ASP A 2 6.977 40.847 11.413 1.00 0.00 ATOM 12 CG ASP A 2 7.442 42.242 11.783 1.00 0.00 ATOM 13 OD1 ASP A 2 8.274 42.366 12.706 1.00 0.00 ATOM 14 OD2 ASP A 2 6.973 43.211 11.150 1.00 0.00 ATOM 15 O ASP A 2 6.390 38.076 12.960 1.00 0.00 ATOM 16 C ASP A 2 7.008 38.468 11.975 1.00 0.00 ATOM 17 N ALA A 3 6.933 37.827 10.803 1.00 0.00 ATOM 18 CA ALA A 3 6.159 36.586 10.726 1.00 0.00 ATOM 19 CB ALA A 3 6.280 35.971 9.340 1.00 0.00 ATOM 20 O ALA A 3 5.846 34.864 12.380 1.00 0.00 ATOM 21 C ALA A 3 6.652 35.545 11.752 1.00 0.00 ATOM 22 N LYS A 4 7.970 35.443 11.931 1.00 0.00 ATOM 23 CA LYS A 4 8.556 34.498 12.892 1.00 0.00 ATOM 24 CB LYS A 4 10.081 34.489 12.772 1.00 0.00 ATOM 25 CG LYS A 4 10.600 33.855 11.492 1.00 0.00 ATOM 26 CD LYS A 4 12.119 33.875 11.442 1.00 0.00 ATOM 27 CE LYS A 4 12.636 33.272 10.146 1.00 0.00 ATOM 28 NZ LYS A 4 14.123 33.307 10.072 1.00 0.00 ATOM 29 O LYS A 4 7.843 34.008 15.130 1.00 0.00 ATOM 30 C LYS A 4 8.200 34.869 14.331 1.00 0.00 ATOM 31 N PHE A 5 8.255 36.163 14.639 1.00 0.00 ATOM 32 CA PHE A 5 7.932 36.665 15.970 1.00 0.00 ATOM 33 CB PHE A 5 8.120 38.182 16.031 1.00 0.00 ATOM 34 CG PHE A 5 9.555 38.619 15.953 1.00 0.00 ATOM 35 CD1 PHE A 5 10.581 37.706 16.120 1.00 0.00 ATOM 36 CD2 PHE A 5 9.878 39.943 15.712 1.00 0.00 ATOM 37 CE1 PHE A 5 11.902 38.108 16.049 1.00 0.00 ATOM 38 CE2 PHE A 5 11.199 40.345 15.640 1.00 0.00 ATOM 39 CZ PHE A 5 12.208 39.434 15.807 1.00 0.00 ATOM 40 O PHE A 5 6.161 35.781 17.359 1.00 0.00 ATOM 41 C PHE A 5 6.474 36.321 16.282 1.00 0.00 ATOM 42 N LEU A 6 5.592 36.626 15.334 1.00 0.00 ATOM 43 CA LEU A 6 4.172 36.354 15.477 1.00 0.00 ATOM 44 CB LEU A 6 3.412 36.801 14.227 1.00 0.00 ATOM 45 CG LEU A 6 3.362 38.308 13.967 1.00 0.00 ATOM 46 CD1 LEU A 6 2.697 38.601 12.630 1.00 0.00 ATOM 47 CD2 LEU A 6 2.570 39.015 15.056 1.00 0.00 ATOM 48 O LEU A 6 2.828 34.537 16.262 1.00 0.00 ATOM 49 C LEU A 6 3.855 34.868 15.684 1.00 0.00 ATOM 50 N GLU A 7 4.723 33.973 15.227 1.00 0.00 ATOM 51 CA GLU A 7 4.473 32.548 15.384 1.00 0.00 ATOM 52 CB GLU A 7 4.900 31.787 14.127 1.00 0.00 ATOM 53 CG GLU A 7 4.046 32.080 12.904 1.00 0.00 ATOM 54 CD GLU A 7 4.646 31.524 11.628 1.00 0.00 ATOM 55 OE1 GLU A 7 5.748 30.941 11.694 1.00 0.00 ATOM 56 OE2 GLU A 7 4.014 31.672 10.561 1.00 0.00 ATOM 57 O GLU A 7 5.220 30.733 16.764 1.00 0.00 ATOM 58 C GLU A 7 5.235 31.951 16.559 1.00 0.00 ATOM 59 N ILE A 8 11.597 35.740 22.186 1.00 0.00 ATOM 60 CA ILE A 8 12.395 35.814 20.959 1.00 0.00 ATOM 61 CB ILE A 8 11.576 36.387 19.787 1.00 0.00 ATOM 62 CG1 ILE A 8 10.396 35.469 19.462 1.00 0.00 ATOM 63 CG2 ILE A 8 12.444 36.516 18.544 1.00 0.00 ATOM 64 CD1 ILE A 8 10.807 34.097 18.973 1.00 0.00 ATOM 65 O ILE A 8 13.452 37.818 21.736 1.00 0.00 ATOM 66 C ILE A 8 13.602 36.722 21.205 1.00 0.00 ATOM 67 N LEU A 9 14.797 36.265 20.842 1.00 0.00 ATOM 68 CA LEU A 9 15.995 37.077 21.015 1.00 0.00 ATOM 69 CB LEU A 9 17.066 36.296 21.780 1.00 0.00 ATOM 70 CG LEU A 9 18.385 37.028 22.036 1.00 0.00 ATOM 71 CD1 LEU A 9 18.176 38.195 22.988 1.00 0.00 ATOM 72 CD2 LEU A 9 19.409 36.088 22.653 1.00 0.00 ATOM 73 O LEU A 9 16.553 36.590 18.722 1.00 0.00 ATOM 74 C LEU A 9 16.510 37.441 19.621 1.00 0.00 ATOM 75 N VAL A 10 16.875 38.703 19.433 1.00 0.00 ATOM 76 CA VAL A 10 17.375 39.141 18.143 1.00 0.00 ATOM 77 CB VAL A 10 16.422 40.155 17.483 1.00 0.00 ATOM 78 CG1 VAL A 10 16.791 40.359 16.022 1.00 0.00 ATOM 79 CG2 VAL A 10 14.986 39.659 17.551 1.00 0.00 ATOM 80 O VAL A 10 18.879 40.755 19.084 1.00 0.00 ATOM 81 C VAL A 10 18.727 39.805 18.292 1.00 0.00 ATOM 82 N CYS A 11 32.208 43.537 12.072 1.00 0.00 ATOM 83 CA CYS A 11 32.048 44.015 13.436 1.00 0.00 ATOM 84 CB CYS A 11 30.574 43.984 13.845 1.00 0.00 ATOM 85 SG CYS A 11 30.251 44.586 15.519 1.00 0.00 ATOM 86 O CYS A 11 32.510 41.987 14.638 1.00 0.00 ATOM 87 C CYS A 11 32.825 43.160 14.438 1.00 0.00 ATOM 88 N PRO A 12 33.845 43.751 15.060 1.00 0.00 ATOM 89 CA PRO A 12 34.670 43.020 16.013 1.00 0.00 ATOM 90 CB PRO A 12 35.643 44.074 16.545 1.00 0.00 ATOM 91 CG PRO A 12 35.783 45.052 15.427 1.00 0.00 ATOM 92 CD PRO A 12 34.425 45.155 14.791 1.00 0.00 ATOM 93 O PRO A 12 33.940 41.170 17.319 1.00 0.00 ATOM 94 C PRO A 12 33.904 42.397 17.164 1.00 0.00 ATOM 95 N LEU A 13 33.207 43.205 17.994 1.00 0.00 ATOM 96 CA LEU A 13 32.439 42.671 19.128 1.00 0.00 ATOM 97 CB LEU A 13 31.776 43.808 19.909 1.00 0.00 ATOM 98 CG LEU A 13 32.715 44.738 20.680 1.00 0.00 ATOM 99 CD1 LEU A 13 31.946 45.911 21.269 1.00 0.00 ATOM 100 CD2 LEU A 13 33.392 43.993 21.821 1.00 0.00 ATOM 101 O LEU A 13 30.944 40.820 19.472 1.00 0.00 ATOM 102 C LEU A 13 31.323 41.709 18.703 1.00 0.00 ATOM 103 N CYS A 14 30.809 41.880 17.480 1.00 0.00 ATOM 104 CA CYS A 14 29.749 41.004 16.972 1.00 0.00 ATOM 105 CB CYS A 14 29.205 41.536 15.645 1.00 0.00 ATOM 106 SG CYS A 14 28.239 43.057 15.789 1.00 0.00 ATOM 107 O CYS A 14 29.704 38.609 17.157 1.00 0.00 ATOM 108 C CYS A 14 30.314 39.598 16.752 1.00 0.00 ATOM 109 N LYS A 15 31.478 39.520 16.113 1.00 0.00 ATOM 110 CA LYS A 15 32.119 38.239 15.829 1.00 0.00 ATOM 111 CB LYS A 15 33.374 38.445 14.978 1.00 0.00 ATOM 112 CG LYS A 15 33.095 38.955 13.574 1.00 0.00 ATOM 113 CD LYS A 15 34.375 39.066 12.762 1.00 0.00 ATOM 114 CE LYS A 15 34.099 39.597 11.365 1.00 0.00 ATOM 115 NZ LYS A 15 35.348 39.739 10.568 1.00 0.00 ATOM 116 O LYS A 15 32.525 36.300 17.188 1.00 0.00 ATOM 117 C LYS A 15 32.534 37.525 17.115 1.00 0.00 ATOM 118 N GLY A 16 29.308 35.983 18.502 1.00 0.00 ATOM 119 CA GLY A 16 28.703 34.970 17.654 1.00 0.00 ATOM 120 O GLY A 16 27.716 32.861 18.256 1.00 0.00 ATOM 121 C GLY A 16 28.755 33.518 18.161 1.00 0.00 ATOM 122 N PRO 17 29.947 33.071 18.484 1.00 0.00 ATOM 123 CA PRO 17 30.095 31.711 18.972 1.00 0.00 ATOM 124 C VAL 19 16.012 -6.097 7.788 1.00 0.00 ATOM 125 N PHE A 20 26.655 33.092 21.220 1.00 0.00 ATOM 126 CA PHE A 20 25.233 33.236 20.924 1.00 0.00 ATOM 127 CB PHE A 20 25.017 34.277 19.824 1.00 0.00 ATOM 128 CG PHE A 20 23.576 34.480 19.455 1.00 0.00 ATOM 129 CD1 PHE A 20 22.746 35.255 20.247 1.00 0.00 ATOM 130 CD2 PHE A 20 23.049 33.895 18.317 1.00 0.00 ATOM 131 CE1 PHE A 20 21.419 35.441 19.907 1.00 0.00 ATOM 132 CE2 PHE A 20 21.722 34.082 17.977 1.00 0.00 ATOM 133 CZ PHE A 20 20.908 34.851 18.767 1.00 0.00 ATOM 134 O PHE A 20 23.539 31.513 20.822 1.00 0.00 ATOM 135 C PHE A 20 24.654 31.891 20.449 1.00 0.00 ATOM 136 N ASP A 21 25.430 31.188 19.627 1.00 0.00 ATOM 137 CA ASP A 21 25.032 29.886 19.095 1.00 0.00 ATOM 138 CB ASP A 21 26.058 29.387 18.075 1.00 0.00 ATOM 139 CG ASP A 21 25.995 30.148 16.766 1.00 0.00 ATOM 140 OD1 ASP A 21 25.009 30.885 16.554 1.00 0.00 ATOM 141 OD2 ASP A 21 26.931 30.007 15.951 1.00 0.00 ATOM 142 O ASP A 21 24.026 28.040 20.247 1.00 0.00 ATOM 143 C ASP A 21 24.933 28.865 20.229 1.00 0.00 ATOM 144 N LYS A 22 25.866 28.923 21.176 1.00 0.00 ATOM 145 CA LYS A 22 25.824 28.006 22.312 1.00 0.00 ATOM 146 CB LYS A 22 27.070 28.175 23.183 1.00 0.00 ATOM 147 CG LYS A 22 28.351 27.672 22.538 1.00 0.00 ATOM 148 CD LYS A 22 29.546 27.865 23.458 1.00 0.00 ATOM 149 CE LYS A 22 30.832 27.394 22.799 1.00 0.00 ATOM 150 NZ LYS A 22 32.015 27.600 23.680 1.00 0.00 ATOM 151 O LYS A 22 23.976 27.360 23.711 1.00 0.00 ATOM 152 C LYS A 22 24.585 28.290 23.166 1.00 0.00 ATOM 153 N SER A 23 24.209 29.564 23.281 1.00 0.00 ATOM 154 CA SER A 23 23.011 29.933 24.036 1.00 0.00 ATOM 155 CB SER A 23 22.836 31.453 24.053 1.00 0.00 ATOM 156 OG SER A 23 23.882 32.079 24.775 1.00 0.00 ATOM 157 O SER A 23 20.881 28.838 24.083 1.00 0.00 ATOM 158 C SER A 23 21.783 29.301 23.387 1.00 0.00 ATOM 159 N LYS A 24 21.741 29.300 22.052 1.00 0.00 ATOM 160 CA LYS A 24 20.619 28.724 21.325 1.00 0.00 ATOM 161 CB LYS A 24 20.793 28.931 19.819 1.00 0.00 ATOM 162 CG LYS A 24 19.641 28.399 18.982 1.00 0.00 ATOM 163 CD LYS A 24 19.842 28.707 17.507 1.00 0.00 ATOM 164 CE LYS A 24 18.705 28.150 16.667 1.00 0.00 ATOM 165 NZ LYS A 24 18.896 28.431 15.217 1.00 0.00 ATOM 166 O LYS A 24 19.400 26.670 21.669 1.00 0.00 ATOM 167 C LYS A 24 20.511 27.220 21.593 1.00 0.00 ATOM 168 N ASP A 25 21.656 26.566 21.742 1.00 0.00 ATOM 169 CA ASP A 25 21.695 25.131 22.028 1.00 0.00 ATOM 170 CB ASP A 25 23.119 24.593 21.877 1.00 0.00 ATOM 171 CG ASP A 25 23.555 24.497 20.428 1.00 0.00 ATOM 172 OD1 ASP A 25 22.687 24.610 19.538 1.00 0.00 ATOM 173 OD2 ASP A 25 24.765 24.308 20.183 1.00 0.00 ATOM 174 O ASP A 25 20.619 23.777 23.697 1.00 0.00 ATOM 175 C ASP A 25 21.227 24.814 23.459 1.00 0.00 ATOM 176 N GLU A 26 21.512 25.700 24.410 1.00 0.00 ATOM 177 CA GLU A 26 21.097 25.478 25.798 1.00 0.00 ATOM 178 CB GLU A 26 21.997 26.258 26.758 1.00 0.00 ATOM 179 CG GLU A 26 23.436 25.768 26.796 1.00 0.00 ATOM 180 CD GLU A 26 24.313 26.608 27.704 1.00 0.00 ATOM 181 OE1 GLU A 26 23.799 27.582 28.292 1.00 0.00 ATOM 182 OE2 GLU A 26 25.515 26.292 27.826 1.00 0.00 ATOM 183 O GLU A 26 19.013 25.283 26.957 1.00 0.00 ATOM 184 C GLU A 26 19.670 25.904 26.118 1.00 0.00 ATOM 185 N LEU A 27 19.185 26.968 25.488 1.00 0.00 ATOM 186 CA LEU A 27 17.831 27.414 25.781 1.00 0.00 ATOM 187 CB LEU A 27 17.798 28.931 25.979 1.00 0.00 ATOM 188 CG LEU A 27 18.738 29.496 27.046 1.00 0.00 ATOM 189 CD1 LEU A 27 18.679 31.016 27.064 1.00 0.00 ATOM 190 CD2 LEU A 27 18.350 28.989 28.427 1.00 0.00 ATOM 191 O LEU A 27 16.549 27.931 23.833 1.00 0.00 ATOM 192 C LEU A 27 16.845 27.088 24.676 1.00 0.00 ATOM 193 N ILE A 28 19.857 46.839 2.792 1.00 0.00 ATOM 194 CA ILE A 28 18.580 46.190 2.512 1.00 0.00 ATOM 195 CB ILE A 28 18.774 44.724 2.083 1.00 0.00 ATOM 196 CG1 ILE A 28 19.464 44.654 0.719 1.00 0.00 ATOM 197 CG2 ILE A 28 17.431 44.016 1.981 1.00 0.00 ATOM 198 CD1 ILE A 28 19.932 43.265 0.342 1.00 0.00 ATOM 199 O ILE A 28 16.402 46.334 3.564 1.00 0.00 ATOM 200 C ILE A 28 17.616 46.156 3.711 1.00 0.00 ATOM 201 N CYS A 29 18.152 45.936 4.905 1.00 0.00 ATOM 202 CA CYS A 29 17.322 45.828 6.113 1.00 0.00 ATOM 203 CB CYS A 29 17.893 44.773 7.063 1.00 0.00 ATOM 204 SG CYS A 29 17.895 43.092 6.398 1.00 0.00 ATOM 205 O CYS A 29 16.678 47.062 8.040 1.00 0.00 ATOM 206 C CYS A 29 17.199 47.095 6.927 1.00 0.00 ATOM 207 N LYS A 30 17.662 48.201 6.356 1.00 0.00 ATOM 208 CA LYS A 30 17.659 49.510 6.997 1.00 0.00 ATOM 209 CB LYS A 30 17.899 50.613 5.964 1.00 0.00 ATOM 210 CG LYS A 30 17.988 52.010 6.557 1.00 0.00 ATOM 211 CD LYS A 30 18.277 53.047 5.484 1.00 0.00 ATOM 212 CE LYS A 30 18.333 54.448 6.072 1.00 0.00 ATOM 213 NZ LYS A 30 18.625 55.475 5.034 1.00 0.00 ATOM 214 O LYS A 30 16.372 50.234 8.900 1.00 0.00 ATOM 215 C LYS A 30 16.360 49.883 7.715 1.00 0.00 ATOM 216 N GLY A 31 15.242 49.807 7.001 1.00 0.00 ATOM 217 CA GLY A 31 13.937 50.153 7.568 1.00 0.00 ATOM 218 O GLY A 31 13.036 50.008 9.810 1.00 0.00 ATOM 219 C GLY A 31 13.581 49.408 8.871 1.00 0.00 ATOM 220 N ASP A 32 13.891 48.111 8.930 1.00 0.00 ATOM 221 CA ASP A 32 13.584 47.316 10.119 1.00 0.00 ATOM 222 CB ASP A 32 13.692 45.822 9.807 1.00 0.00 ATOM 223 CG ASP A 32 12.545 45.322 8.951 1.00 0.00 ATOM 224 OD1 ASP A 32 11.548 46.059 8.804 1.00 0.00 ATOM 225 OD2 ASP A 32 12.644 44.192 8.426 1.00 0.00 ATOM 226 O ASP A 32 14.127 47.686 12.418 1.00 0.00 ATOM 227 C ASP A 32 14.545 47.624 11.269 1.00 0.00 ATOM 228 N ARG A 33 15.831 47.798 10.960 1.00 0.00 ATOM 229 CA ARG A 33 16.816 48.128 11.986 1.00 0.00 ATOM 230 CB ARG A 33 18.203 48.298 11.362 1.00 0.00 ATOM 231 CG ARG A 33 18.827 47.001 10.875 1.00 0.00 ATOM 232 CD ARG A 33 20.180 47.249 10.227 1.00 0.00 ATOM 233 NE ARG A 33 20.772 46.018 9.709 1.00 0.00 ATOM 234 CZ ARG A 33 21.924 45.964 9.047 1.00 0.00 ATOM 235 NH1 ARG A 33 22.385 44.799 8.613 1.00 0.00 ATOM 236 NH2 ARG A 33 22.611 47.075 8.821 1.00 0.00 ATOM 237 O ARG A 33 16.383 49.575 13.889 1.00 0.00 ATOM 238 C ARG A 33 16.386 49.453 12.664 1.00 0.00 ATOM 239 N LEU A 34 15.996 50.437 11.858 1.00 0.00 ATOM 240 CA LEU A 34 15.549 51.724 12.391 1.00 0.00 ATOM 241 CB LEU A 34 15.257 52.703 11.252 1.00 0.00 ATOM 242 CG LEU A 34 14.762 54.092 11.662 1.00 0.00 ATOM 243 CD1 LEU A 34 15.808 54.808 12.503 1.00 0.00 ATOM 244 CD2 LEU A 34 14.473 54.943 10.436 1.00 0.00 ATOM 245 O LEU A 34 14.172 52.062 14.325 1.00 0.00 ATOM 246 C LEU A 34 14.275 51.548 13.215 1.00 0.00 ATOM 247 N ALA A 35 13.307 50.817 12.667 1.00 0.00 ATOM 248 CA ALA A 35 12.042 50.552 13.359 1.00 0.00 ATOM 249 CB ALA A 35 11.183 49.596 12.546 1.00 0.00 ATOM 250 O ALA A 35 11.584 50.197 15.698 1.00 0.00 ATOM 251 C ALA A 35 12.288 49.921 14.736 1.00 0.00 ATOM 252 N PHE A 36 13.292 49.060 14.819 1.00 0.00 ATOM 253 CA PHE A 36 13.592 48.393 16.073 1.00 0.00 ATOM 254 CB PHE A 36 14.421 47.132 15.824 1.00 0.00 ATOM 255 CG PHE A 36 13.700 46.079 15.031 1.00 0.00 ATOM 256 CD1 PHE A 36 12.318 46.075 14.954 1.00 0.00 ATOM 257 CD2 PHE A 36 14.404 45.092 14.363 1.00 0.00 ATOM 258 CE1 PHE A 36 11.655 45.107 14.225 1.00 0.00 ATOM 259 CE2 PHE A 36 13.740 44.124 13.634 1.00 0.00 ATOM 260 CZ PHE A 36 12.372 44.128 13.563 1.00 0.00 ATOM 261 O PHE A 36 14.382 49.123 18.204 1.00 0.00 ATOM 262 C PHE A 36 14.379 49.307 16.991 1.00 0.00 ATOM 263 N PRO A 37 15.031 50.303 16.405 1.00 0.00 ATOM 264 CA PRO A 37 15.807 51.232 17.194 1.00 0.00 ATOM 265 CB PRO A 37 15.048 51.315 18.520 1.00 0.00 ATOM 266 CG PRO A 37 14.356 49.999 18.638 1.00 0.00 ATOM 267 CD PRO A 37 14.002 49.587 17.236 1.00 0.00 ATOM 268 O PRO A 37 17.496 49.946 18.315 1.00 0.00 ATOM 269 C PRO A 37 17.221 50.728 17.396 1.00 0.00 ATOM 270 N ILE A 38 18.131 51.165 16.538 1.00 0.00 ATOM 271 CA ILE A 38 19.516 50.737 16.655 1.00 0.00 ATOM 272 CB ILE A 38 19.936 49.854 15.465 1.00 0.00 ATOM 273 CG1 ILE A 38 19.601 50.546 14.143 1.00 0.00 ATOM 274 CG2 ILE A 38 19.208 48.519 15.509 1.00 0.00 ATOM 275 CD1 ILE A 38 20.221 49.884 12.932 1.00 0.00 ATOM 276 O ILE A 38 20.129 52.968 16.035 1.00 0.00 ATOM 277 C ILE A 38 20.409 51.965 16.691 1.00 0.00 ATOM 278 N LYS 39 21.480 51.878 17.467 1.00 0.00 ATOM 279 CA LYS 39 22.424 52.976 17.593 1.00 0.00 ATOM 280 C GLY 41 15.313 32.634 4.818 1.00 0.00 ATOM 281 N ILE A 42 26.194 48.434 17.186 1.00 0.00 ATOM 282 CA ILE A 42 26.136 46.969 17.132 1.00 0.00 ATOM 283 CB ILE A 42 26.274 46.452 15.688 1.00 0.00 ATOM 284 CG1 ILE A 42 27.617 46.880 15.094 1.00 0.00 ATOM 285 CG2 ILE A 42 25.161 47.008 14.814 1.00 0.00 ATOM 286 CD1 ILE A 42 27.916 46.259 13.747 1.00 0.00 ATOM 287 O ILE A 42 28.336 46.973 18.118 1.00 0.00 ATOM 288 C ILE A 42 27.276 46.369 17.968 1.00 0.00 ATOM 289 N PRO A 43 27.054 45.178 18.550 1.00 0.00 ATOM 290 CA PRO A 43 25.780 44.449 18.419 1.00 0.00 ATOM 291 CB PRO A 43 26.154 42.995 18.713 1.00 0.00 ATOM 292 CG PRO A 43 27.239 43.087 19.733 1.00 0.00 ATOM 293 CD PRO A 43 28.075 44.274 19.346 1.00 0.00 ATOM 294 O PRO A 43 25.084 45.494 20.459 1.00 0.00 ATOM 295 C PRO A 43 24.735 44.960 19.405 1.00 0.00 ATOM 296 N MET A 44 21.059 43.565 21.232 1.00 0.00 ATOM 297 CA MET A 44 20.171 42.404 21.381 1.00 0.00 ATOM 298 CB MET A 44 20.726 41.436 22.428 1.00 0.00 ATOM 299 CG MET A 44 22.042 40.785 22.036 1.00 0.00 ATOM 300 SD MET A 44 21.913 39.806 20.528 1.00 0.00 ATOM 301 CE MET A 44 21.103 38.334 21.149 1.00 0.00 ATOM 302 O MET A 44 18.656 43.544 22.824 1.00 0.00 ATOM 303 C MET A 44 18.793 42.852 21.821 1.00 0.00 ATOM 304 N MET A 45 17.773 42.487 21.062 1.00 0.00 ATOM 305 CA MET A 45 16.410 42.840 21.434 1.00 0.00 ATOM 306 CB MET A 45 15.643 43.370 20.220 1.00 0.00 ATOM 307 CG MET A 45 14.246 43.873 20.541 1.00 0.00 ATOM 308 SD MET A 45 13.383 44.504 19.088 1.00 0.00 ATOM 309 CE MET A 45 14.264 46.038 18.811 1.00 0.00 ATOM 310 O MET A 45 16.057 40.473 21.427 1.00 0.00 ATOM 311 C MET A 45 15.781 41.556 21.955 1.00 0.00 ATOM 312 N LEU A 46 14.956 41.683 22.993 1.00 0.00 ATOM 313 CA LEU A 46 14.245 40.547 23.568 1.00 0.00 ATOM 314 CB LEU A 46 14.593 40.391 25.050 1.00 0.00 ATOM 315 CG LEU A 46 13.869 39.274 25.802 1.00 0.00 ATOM 316 CD1 LEU A 46 14.292 37.910 25.278 1.00 0.00 ATOM 317 CD2 LEU A 46 14.188 39.332 27.288 1.00 0.00 ATOM 318 O LEU A 46 12.327 41.973 23.751 1.00 0.00 ATOM 319 C LEU A 46 12.774 40.882 23.374 1.00 0.00 ATOM 320 N GLU A 47 12.034 39.959 22.761 1.00 0.00 ATOM 321 CA GLU A 47 10.620 40.153 22.504 1.00 0.00 ATOM 322 CB GLU A 47 10.341 40.130 21.000 1.00 0.00 ATOM 323 CG GLU A 47 11.000 41.262 20.229 1.00 0.00 ATOM 324 CD GLU A 47 10.654 41.240 18.753 1.00 0.00 ATOM 325 OE1 GLU A 47 9.920 40.323 18.328 1.00 0.00 ATOM 326 OE2 GLU A 47 11.117 42.139 18.021 1.00 0.00 ATOM 327 O GLU A 47 10.312 37.971 23.440 1.00 0.00 ATOM 328 C GLU A 47 9.799 39.055 23.159 1.00 0.00 ATOM 329 N SER A 48 8.533 39.371 23.418 1.00 0.00 ATOM 330 CA SER A 48 7.560 38.462 24.019 1.00 0.00 ATOM 331 CB SER A 48 7.721 38.434 25.540 1.00 0.00 ATOM 332 OG SER A 48 6.743 37.603 26.142 1.00 0.00 ATOM 333 O SER A 48 5.916 40.190 23.738 1.00 0.00 ATOM 334 C SER A 48 6.179 38.990 23.639 1.00 0.00 ATOM 335 N GLU A 49 5.313 38.097 23.173 1.00 0.00 ATOM 336 CA GLU A 49 3.969 38.470 22.760 1.00 0.00 ATOM 337 CB GLU A 49 3.144 38.924 23.966 1.00 0.00 ATOM 338 CG GLU A 49 2.930 37.843 25.014 1.00 0.00 ATOM 339 CD GLU A 49 2.088 38.321 26.180 1.00 0.00 ATOM 340 OE1 GLU A 49 1.723 39.515 26.199 1.00 0.00 ATOM 341 OE2 GLU A 49 1.792 37.501 27.074 1.00 0.00 ATOM 342 O GLU A 49 3.272 40.576 21.868 1.00 0.00 ATOM 343 C GLU A 49 4.020 39.607 21.758 1.00 0.00 ATOM 344 N ALA A 50 4.926 39.493 20.796 1.00 0.00 ATOM 345 CA ALA A 50 5.063 40.491 19.746 1.00 0.00 ATOM 346 CB ALA A 50 3.743 40.673 19.012 1.00 0.00 ATOM 347 O ALA A 50 5.186 42.878 19.543 1.00 0.00 ATOM 348 C ALA A 50 5.474 41.879 20.215 1.00 0.00 ATOM 349 N ARG A 51 6.158 41.947 21.351 1.00 0.00 ATOM 350 CA ARG A 51 6.583 43.232 21.894 1.00 0.00 ATOM 351 CB ARG A 51 5.716 43.620 23.093 1.00 0.00 ATOM 352 CG ARG A 51 4.263 43.897 22.745 1.00 0.00 ATOM 353 CD ARG A 51 3.462 44.281 23.978 1.00 0.00 ATOM 354 NE ARG A 51 2.052 44.503 23.669 1.00 0.00 ATOM 355 CZ ARG A 51 1.120 44.768 24.578 1.00 0.00 ATOM 356 NH1 ARG A 51 -0.138 44.955 24.204 1.00 0.00 ATOM 357 NH2 ARG A 51 1.448 44.844 25.861 1.00 0.00 ATOM 358 O ARG A 51 8.486 42.237 22.915 1.00 0.00 ATOM 359 C ARG A 51 8.021 43.225 22.366 1.00 0.00 ATOM 360 N GLU A 52 8.729 44.327 22.149 1.00 0.00 ATOM 361 CA GLU A 52 10.091 44.421 22.642 1.00 0.00 ATOM 362 CB GLU A 52 10.821 45.591 21.979 1.00 0.00 ATOM 363 CG GLU A 52 12.295 45.687 22.339 1.00 0.00 ATOM 364 CD GLU A 52 12.990 46.841 21.644 1.00 0.00 ATOM 365 OE1 GLU A 52 12.334 47.529 20.834 1.00 0.00 ATOM 366 OE2 GLU A 52 14.192 47.057 21.910 1.00 0.00 ATOM 367 O GLU A 52 9.240 45.556 24.578 1.00 0.00 ATOM 368 C GLU A 52 9.926 44.638 24.153 1.00 0.00 ATOM 369 N LEU A 53 10.531 43.781 24.964 1.00 0.00 ATOM 370 CA LEU A 53 10.403 43.907 26.415 1.00 0.00 ATOM 371 CB LEU A 53 9.758 42.652 27.007 1.00 0.00 ATOM 372 CG LEU A 53 8.335 42.338 26.542 1.00 0.00 ATOM 373 CD1 LEU A 53 7.884 40.984 27.070 1.00 0.00 ATOM 374 CD2 LEU A 53 7.360 43.392 27.044 1.00 0.00 ATOM 375 O LEU A 53 11.836 44.168 28.304 1.00 0.00 ATOM 376 C LEU A 53 11.748 44.094 27.083 1.00 0.00 ATOM 377 N ALA A 54 12.799 44.167 26.275 1.00 0.00 ATOM 378 CA ALA A 54 14.128 44.349 26.820 1.00 0.00 ATOM 379 CB ALA A 54 14.542 43.128 27.627 1.00 0.00 ATOM 380 O ALA A 54 14.890 44.226 24.555 1.00 0.00 ATOM 381 C ALA A 54 15.142 44.553 25.720 1.00 0.00 ATOM 382 N PRO A 55 27.665 40.100 27.621 1.00 0.00 ATOM 383 CA PRO A 55 27.212 38.734 27.809 1.00 0.00 ATOM 384 CB PRO A 55 28.506 37.919 27.865 1.00 0.00 ATOM 385 CG PRO A 55 29.470 38.691 27.027 1.00 0.00 ATOM 386 CD PRO A 55 29.212 40.141 27.325 1.00 0.00 ATOM 387 O PRO A 55 25.337 37.842 29.032 1.00 0.00 ATOM 388 C PRO A 55 26.393 38.481 29.078 1.00 0.00 ATOM 389 N GLU A 56 26.876 38.984 30.208 1.00 0.00 ATOM 390 CA GLU A 56 26.193 38.773 31.477 1.00 0.00 ATOM 391 CB GLU A 56 27.006 39.368 32.628 1.00 0.00 ATOM 392 CG GLU A 56 28.284 38.608 32.944 1.00 0.00 ATOM 393 CD GLU A 56 29.123 39.294 34.004 1.00 0.00 ATOM 394 OE1 GLU A 56 28.742 40.401 34.439 1.00 0.00 ATOM 395 OE2 GLU A 56 30.162 38.724 34.400 1.00 0.00 ATOM 396 O GLU A 56 23.860 38.810 31.957 1.00 0.00 ATOM 397 C GLU A 56 24.831 39.415 31.504 1.00 0.00 ATOM 398 N GLU A 57 24.760 40.650 31.018 1.00 0.00 ATOM 399 CA GLU A 57 23.501 41.372 30.976 1.00 0.00 ATOM 400 CB GLU A 57 23.724 42.810 30.503 1.00 0.00 ATOM 401 CG GLU A 57 24.455 43.687 31.507 1.00 0.00 ATOM 402 CD GLU A 57 24.738 45.076 30.969 1.00 0.00 ATOM 403 OE1 GLU A 57 24.418 45.333 29.789 1.00 0.00 ATOM 404 OE2 GLU A 57 25.280 45.907 31.727 1.00 0.00 ATOM 405 O GLU A 57 21.368 40.701 30.227 1.00 0.00 ATOM 406 C GLU A 57 22.570 40.672 30.019 1.00 0.00 ATOM 407 N GLU A 58 23.118 40.052 28.968 1.00 0.00 ATOM 408 CA GLU A 58 22.289 39.327 27.989 1.00 0.00 ATOM 409 CB GLU A 58 23.143 38.849 26.813 1.00 0.00 ATOM 410 CG GLU A 58 23.638 39.968 25.911 1.00 0.00 ATOM 411 CD GLU A 58 24.580 39.472 24.831 1.00 0.00 ATOM 412 OE1 GLU A 58 24.902 38.265 24.832 1.00 0.00 ATOM 413 OE2 GLU A 58 24.996 40.290 23.984 1.00 0.00 ATOM 414 O GLU A 58 20.452 37.863 28.472 1.00 0.00 ATOM 415 C GLU A 58 21.641 38.110 28.647 1.00 0.00 ATOM 416 N VAL A 59 22.421 37.363 29.419 1.00 0.00 ATOM 417 CA VAL A 59 21.898 36.194 30.129 1.00 0.00 ATOM 418 CB VAL A 59 22.987 35.519 30.984 1.00 0.00 ATOM 419 CG1 VAL A 59 22.379 34.436 31.862 1.00 0.00 ATOM 420 CG2 VAL A 59 24.043 34.882 30.095 1.00 0.00 ATOM 421 O VAL A 59 19.716 35.907 31.086 1.00 0.00 ATOM 422 C VAL A 59 20.751 36.574 31.067 1.00 0.00 ATOM 423 N LYS A 60 20.925 37.647 31.833 1.00 0.00 ATOM 424 CA LYS A 60 19.893 38.085 32.768 1.00 0.00 ATOM 425 CB LYS A 60 20.375 39.296 33.569 1.00 0.00 ATOM 426 CG LYS A 60 21.466 38.978 34.578 1.00 0.00 ATOM 427 CD LYS A 60 21.895 40.223 35.338 1.00 0.00 ATOM 428 CE LYS A 60 23.004 39.909 36.330 1.00 0.00 ATOM 429 NZ LYS A 60 23.457 41.126 37.059 1.00 0.00 ATOM 430 O LYS A 60 17.501 38.246 32.542 1.00 0.00 ATOM 431 C LYS A 60 18.619 38.481 32.041 1.00 0.00 ATOM 432 N LEU A 61 18.784 39.104 30.870 1.00 0.00 ATOM 433 CA LEU A 61 17.637 39.567 30.089 1.00 0.00 ATOM 434 CB LEU A 61 18.104 40.388 28.885 1.00 0.00 ATOM 435 CG LEU A 61 18.752 41.739 29.196 1.00 0.00 ATOM 436 CD1 LEU A 61 19.305 42.374 27.930 1.00 0.00 ATOM 437 CD2 LEU A 61 17.736 42.695 29.803 1.00 0.00 ATOM 438 O LEU A 61 15.605 38.450 29.493 1.00 0.00 ATOM 439 C LEU A 61 16.830 38.381 29.581 1.00 0.00 ATOM 440 N GLU A 62 17.526 37.295 29.263 1.00 0.00 ATOM 441 CA GLU A 62 16.881 36.087 28.769 1.00 0.00 ATOM 442 CB GLU A 62 17.919 35.122 28.193 1.00 0.00 ATOM 443 CG GLU A 62 18.550 35.594 26.892 1.00 0.00 ATOM 444 CD GLU A 62 19.672 34.687 26.427 1.00 0.00 ATOM 445 OE1 GLU A 62 20.003 33.729 27.157 1.00 0.00 ATOM 446 OE2 GLU A 62 20.220 34.934 25.332 1.00 0.00 ATOM 447 O GLU A 62 14.948 35.036 29.735 1.00 0.00 ATOM 448 C GLU A 62 16.133 35.370 29.899 1.00 0.00 ATOM 449 N HIS A 63 16.811 35.140 31.031 1.00 0.00 ATOM 450 CA HIS A 63 16.190 34.485 32.195 1.00 0.00 ATOM 451 CB HIS A 63 17.134 34.524 33.398 1.00 0.00 ATOM 452 CG HIS A 63 16.545 33.946 34.647 1.00 0.00 ATOM 453 CD2 HIS A 63 15.986 34.486 35.878 1.00 0.00 ATOM 454 ND1 HIS A 63 16.422 32.589 34.854 1.00 0.00 ATOM 455 CE1 HIS A 63 15.861 32.378 36.058 1.00 0.00 ATOM 456 NE2 HIS A 63 15.597 33.512 36.678 1.00 0.00 ATOM 457 O HIS A 63 13.876 34.568 32.807 1.00 0.00 ATOM 458 C HIS A 63 14.900 35.201 32.562 1.00 0.00 ATOM 459 N HIS A 64 14.964 36.531 32.599 1.00 0.00 ATOM 460 CA HIS A 64 13.814 37.371 32.919 1.00 0.00 ATOM 461 CB HIS A 64 14.190 38.851 32.828 1.00 0.00 ATOM 462 CG HIS A 64 15.156 39.295 33.882 1.00 0.00 ATOM 463 CD2 HIS A 64 15.688 38.722 35.111 1.00 0.00 ATOM 464 ND1 HIS A 64 15.795 40.515 33.841 1.00 0.00 ATOM 465 CE1 HIS A 64 16.595 40.627 34.916 1.00 0.00 ATOM 466 NE2 HIS A 64 16.536 39.555 35.682 1.00 0.00 ATOM 467 O HIS A 64 11.487 37.069 32.415 1.00 0.00 ATOM 468 C HIS A 64 12.640 37.146 31.978 1.00 0.00 ATOM 469 N HIS 65 12.923 37.058 30.679 1.00 0.00 ATOM 470 CA HIS 65 11.869 36.862 29.693 1.00 0.00 ATOM 471 C HIS 67 4.453 27.963 7.291 1.00 0.00 ATOM 472 N HIS A 68 10.976 33.262 32.827 1.00 0.00 ATOM 473 CA HIS A 68 10.154 33.205 34.024 1.00 0.00 ATOM 474 CB HIS A 68 11.008 32.853 35.244 1.00 0.00 ATOM 475 CG HIS A 68 11.646 31.501 35.165 1.00 0.00 ATOM 476 CD2 HIS A 68 13.006 31.002 35.027 1.00 0.00 ATOM 477 ND1 HIS A 68 10.920 30.331 35.220 1.00 0.00 ATOM 478 CE1 HIS A 68 11.764 29.288 35.125 1.00 0.00 ATOM 479 NE2 HIS A 68 13.017 29.683 35.010 1.00 0.00 ATOM 480 O HIS A 68 8.278 34.680 33.917 1.00 0.00 ATOM 481 C HIS A 68 9.477 34.542 34.292 1.00 0.00 ENDMDL