EXPDTA T0348AL242_2-scwrl MODEL 1 REMARK 44 REMARK 44 model 1 is called T0348AL242_2-scwrl ATOM 1 N MET A 1 41.317 -21.579 -2.069 1.00 0.00 ATOM 2 CA MET A 1 40.986 -23.022 -2.216 1.00 0.00 ATOM 3 O MET A 1 41.373 -24.008 -4.355 1.00 0.00 ATOM 4 C MET A 1 40.594 -23.362 -3.658 1.00 0.00 ATOM 5 N ASP A 2 39.408 -22.946 -4.128 1.00 0.00 ATOM 6 CA ASP A 2 38.864 -23.291 -5.463 1.00 0.00 ATOM 7 O ASP A 2 39.427 -23.119 -7.799 1.00 0.00 ATOM 8 C ASP A 2 39.622 -22.686 -6.660 1.00 0.00 ATOM 9 N ALA A 3 63.496 -15.752 5.053 1.00 0.00 ATOM 10 CA ALA A 3 62.816 -14.514 5.485 1.00 0.00 ATOM 11 O ALA A 3 62.786 -13.102 7.430 1.00 0.00 ATOM 12 C ALA A 3 62.868 -14.255 6.998 1.00 0.00 ATOM 13 N LYS A 4 63.069 -15.297 7.814 1.00 0.00 ATOM 14 CA LYS A 4 63.355 -15.197 9.252 1.00 0.00 ATOM 15 O LYS A 4 64.446 -13.545 10.615 1.00 0.00 ATOM 16 C LYS A 4 64.505 -14.241 9.601 1.00 0.00 ATOM 17 N PHE A 5 65.506 -14.146 8.719 1.00 0.00 ATOM 18 CA PHE A 5 66.672 -13.252 8.821 1.00 0.00 ATOM 19 O PHE A 5 67.074 -11.003 9.582 1.00 0.00 ATOM 20 C PHE A 5 66.315 -11.759 8.970 1.00 0.00 ATOM 21 N LEU A 6 65.144 -11.342 8.467 1.00 0.00 ATOM 22 CA LEU A 6 64.626 -9.968 8.577 1.00 0.00 ATOM 23 O LEU A 6 62.950 -8.834 9.861 1.00 0.00 ATOM 24 C LEU A 6 63.260 -9.873 9.279 1.00 0.00 ATOM 25 N GLU A 7 62.484 -10.960 9.340 1.00 0.00 ATOM 26 CA GLU A 7 61.264 -11.036 10.169 1.00 0.00 ATOM 27 O GLU A 7 60.897 -10.360 12.444 1.00 0.00 ATOM 28 C GLU A 7 61.609 -10.990 11.663 1.00 0.00 ATOM 29 N ILE A 8 62.749 -11.581 12.044 1.00 0.00 ATOM 30 CA ILE A 8 63.306 -11.598 13.404 1.00 0.00 ATOM 31 O ILE A 8 63.428 -10.091 15.265 1.00 0.00 ATOM 32 C ILE A 8 63.520 -10.222 14.042 1.00 0.00 ATOM 33 N LEU A 9 63.747 -9.199 13.213 1.00 0.00 ATOM 34 CA LEU A 9 63.889 -7.789 13.619 1.00 0.00 ATOM 35 O LEU A 9 62.245 -6.083 14.005 1.00 0.00 ATOM 36 C LEU A 9 62.673 -6.935 13.226 1.00 0.00 ATOM 37 N VAL A 10 62.047 -7.209 12.077 1.00 0.00 ATOM 38 CA VAL A 10 60.844 -6.514 11.599 1.00 0.00 ATOM 39 O VAL A 10 58.980 -5.597 12.810 1.00 0.00 ATOM 40 C VAL A 10 59.661 -6.597 12.570 1.00 0.00 ATOM 41 N CYS A 11 59.468 -7.763 13.205 1.00 0.00 ATOM 42 CA CYS A 11 58.451 -8.003 14.249 1.00 0.00 ATOM 43 O CYS A 11 57.505 -6.797 16.090 1.00 0.00 ATOM 44 C CYS A 11 58.522 -7.041 15.444 1.00 0.00 ATOM 45 N PRO A 12 59.696 -6.476 15.740 1.00 0.00 ATOM 46 CA PRO A 12 59.889 -5.575 16.877 1.00 0.00 ATOM 47 O PRO A 12 59.365 -3.325 17.553 1.00 0.00 ATOM 48 C PRO A 12 59.459 -4.117 16.614 1.00 0.00 ATOM 49 N LEU A 13 59.131 -3.780 15.363 1.00 0.00 ATOM 50 CA LEU A 13 58.492 -2.515 14.973 1.00 0.00 ATOM 51 O LEU A 13 56.345 -1.959 13.957 1.00 0.00 ATOM 52 C LEU A 13 56.994 -2.747 14.648 1.00 0.00 ATOM 53 N CYS A 14 56.449 -3.862 15.149 1.00 0.00 ATOM 54 CA CYS A 14 55.136 -4.434 14.827 1.00 0.00 ATOM 55 O CYS A 14 53.568 -5.901 15.933 1.00 0.00 ATOM 56 C CYS A 14 54.472 -5.081 16.063 1.00 0.00 ATOM 57 N LYS A 15 54.928 -4.742 17.275 1.00 0.00 ATOM 58 CA LYS A 15 54.590 -5.400 18.550 1.00 0.00 ATOM 59 O LYS A 15 52.730 -6.539 19.564 1.00 0.00 ATOM 60 C LYS A 15 53.090 -5.580 18.877 1.00 0.00 ATOM 61 N GLY A 16 52.205 -4.729 18.346 1.00 0.00 ATOM 62 CA GLY A 16 50.743 -4.857 18.499 1.00 0.00 ATOM 63 O GLY A 16 48.875 -6.088 17.629 1.00 0.00 ATOM 64 C GLY A 16 50.075 -5.832 17.517 1.00 0.00 ATOM 65 N PRO A 17 50.847 -6.407 16.588 1.00 0.00 ATOM 66 CA PRO A 17 50.429 -7.472 15.652 1.00 0.00 ATOM 67 O PRO A 17 51.015 -9.751 15.212 1.00 0.00 ATOM 68 C PRO A 17 51.390 -8.666 15.657 1.00 0.00 ATOM 69 N LEU A 18 52.586 -8.524 16.244 1.00 0.00 ATOM 70 CA LEU A 18 53.565 -9.599 16.487 1.00 0.00 ATOM 71 O LEU A 18 53.312 -11.982 16.642 1.00 0.00 ATOM 72 C LEU A 18 52.927 -10.884 17.031 1.00 0.00 ATOM 73 N VAL A 19 51.896 -10.737 17.858 1.00 0.00 ATOM 74 CA VAL A 19 51.022 -11.796 18.369 1.00 0.00 ATOM 75 O VAL A 19 50.494 -13.929 17.361 1.00 0.00 ATOM 76 C VAL A 19 50.391 -12.701 17.297 1.00 0.00 ATOM 77 N PHE A 20 49.730 -12.104 16.310 1.00 0.00 ATOM 78 CA PHE A 20 49.099 -12.797 15.186 1.00 0.00 ATOM 79 O PHE A 20 50.041 -14.210 13.474 1.00 0.00 ATOM 80 C PHE A 20 50.137 -13.170 14.116 1.00 0.00 ATOM 81 N ASP A 21 51.182 -12.355 13.971 1.00 0.00 ATOM 82 CA ASP A 21 52.309 -12.647 13.080 1.00 0.00 ATOM 83 O ASP A 21 53.414 -14.740 12.646 1.00 0.00 ATOM 84 C ASP A 21 53.053 -13.930 13.497 1.00 0.00 ATOM 85 N LYS A 22 53.216 -14.155 14.807 1.00 0.00 ATOM 86 CA LYS A 22 53.753 -15.398 15.390 1.00 0.00 ATOM 87 O LYS A 22 53.335 -17.643 14.687 1.00 0.00 ATOM 88 C LYS A 22 52.847 -16.596 15.102 1.00 0.00 ATOM 89 N SER A 23 51.532 -16.424 15.249 1.00 0.00 ATOM 90 CA SER A 23 50.538 -17.453 14.888 1.00 0.00 ATOM 91 O SER A 23 50.522 -18.996 13.033 1.00 0.00 ATOM 92 C SER A 23 50.600 -17.823 13.398 1.00 0.00 ATOM 93 N LYS A 24 50.795 -16.831 12.531 1.00 0.00 ATOM 94 CA LYS A 24 50.920 -17.028 11.086 1.00 0.00 ATOM 95 O LYS A 24 52.277 -18.534 9.820 1.00 0.00 ATOM 96 C LYS A 24 52.257 -17.656 10.680 1.00 0.00 ATOM 97 N ASP A 25 53.363 -17.273 11.320 1.00 0.00 ATOM 98 CA ASP A 25 54.666 -17.918 11.125 1.00 0.00 ATOM 99 O ASP A 25 55.239 -20.242 10.998 1.00 0.00 ATOM 100 C ASP A 25 54.655 -19.370 11.632 1.00 0.00 ATOM 101 N GLU A 26 53.920 -19.664 12.706 1.00 0.00 ATOM 102 CA GLU A 26 53.660 -21.038 13.154 1.00 0.00 ATOM 103 O GLU A 26 53.141 -22.989 11.849 1.00 0.00 ATOM 104 C GLU A 26 52.831 -21.828 12.130 1.00 0.00 ATOM 105 N LEU A 27 51.847 -21.192 11.481 1.00 0.00 ATOM 106 CA LEU A 27 51.153 -21.798 10.341 1.00 0.00 ATOM 107 O LEU A 27 52.144 -23.220 8.684 1.00 0.00 ATOM 108 C LEU A 27 52.127 -22.107 9.202 1.00 0.00 ATOM 109 N ILE A 28 52.979 -21.138 8.869 1.00 0.00 ATOM 110 CA ILE A 28 53.996 -21.219 7.825 1.00 0.00 ATOM 111 O ILE A 28 55.701 -22.761 7.219 1.00 0.00 ATOM 112 C ILE A 28 55.080 -22.257 8.142 1.00 0.00 ATOM 113 N CYS A 29 55.328 -22.593 9.410 1.00 0.00 ATOM 114 CA CYS A 29 56.177 -23.716 9.827 1.00 0.00 ATOM 115 O CYS A 29 56.131 -26.051 9.351 1.00 0.00 ATOM 116 C CYS A 29 55.492 -25.086 9.776 1.00 0.00 ATOM 117 N LYS A 30 54.203 -25.198 10.122 1.00 0.00 ATOM 118 CA LYS A 30 53.462 -26.435 9.853 1.00 0.00 ATOM 119 O LYS A 30 53.488 -27.775 7.843 1.00 0.00 ATOM 120 C LYS A 30 53.398 -26.647 8.330 1.00 0.00 ATOM 121 N GLY A 31 53.338 -25.542 7.579 1.00 0.00 ATOM 122 CA GLY A 31 53.492 -25.516 6.145 1.00 0.00 ATOM 123 O GLY A 31 55.132 -26.549 4.790 1.00 0.00 ATOM 124 C GLY A 31 54.928 -25.801 5.720 1.00 0.00 ATOM 125 N ASP A 32 55.949 -25.320 6.415 1.00 0.00 ATOM 126 CA ASP A 32 57.348 -25.586 6.042 1.00 0.00 ATOM 127 O ASP A 32 58.381 -27.613 5.247 1.00 0.00 ATOM 128 C ASP A 32 57.659 -27.082 6.095 1.00 0.00 ATOM 129 N ARG A 33 57.087 -27.771 7.085 1.00 0.00 ATOM 130 CA ARG A 33 57.176 -29.230 7.219 1.00 0.00 ATOM 131 O ARG A 33 57.074 -31.056 5.675 1.00 0.00 ATOM 132 C ARG A 33 56.566 -29.991 6.034 1.00 0.00 ATOM 133 N LEU A 34 55.532 -29.439 5.398 1.00 0.00 ATOM 134 CA LEU A 34 54.934 -29.933 4.169 1.00 0.00 ATOM 135 O LEU A 34 53.080 -28.548 3.545 1.00 0.00 ATOM 136 C LEU A 34 54.273 -28.793 3.360 1.00 0.00 ATOM 137 N ALA A 35 55.026 -28.078 2.492 1.00 0.00 ATOM 138 CA ALA A 35 54.595 -26.836 1.834 1.00 0.00 ATOM 139 O ALA A 35 52.628 -25.676 1.187 1.00 0.00 ATOM 140 C ALA A 35 53.200 -26.764 1.218 1.00 0.00 ATOM 141 N PHE A 36 52.616 -27.881 0.780 1.00 0.00 ATOM 142 CA PHE A 36 51.241 -27.943 0.319 1.00 0.00 ATOM 143 O PHE A 36 49.432 -29.541 0.376 1.00 0.00 ATOM 144 C PHE A 36 50.376 -29.020 0.972 1.00 0.00 ATOM 145 N PRO A 37 50.702 -29.347 2.228 1.00 0.00 ATOM 146 CA PRO A 37 49.831 -30.160 3.089 1.00 0.00 ATOM 147 O PRO A 37 48.579 -28.181 3.609 1.00 0.00 ATOM 148 C PRO A 37 48.532 -29.351 3.229 1.00 0.00 ATOM 149 N ILE A 38 47.369 -29.917 2.889 1.00 0.00 ATOM 150 CA ILE A 38 46.152 -29.138 2.769 1.00 0.00 ATOM 151 O ILE A 38 44.919 -27.582 4.043 1.00 0.00 ATOM 152 C ILE A 38 45.573 -28.615 4.075 1.00 0.00 ATOM 153 N LYS A 39 45.815 -29.258 5.217 1.00 0.00 ATOM 154 CA LYS A 39 45.452 -28.701 6.533 1.00 0.00 ATOM 155 O LYS A 39 46.019 -26.604 7.455 1.00 0.00 ATOM 156 C LYS A 39 46.445 -27.637 6.960 1.00 0.00 ATOM 157 N ASP A 40 47.744 -27.827 6.743 1.00 0.00 ATOM 158 CA ASP A 40 48.746 -26.782 6.933 1.00 0.00 ATOM 159 O ASP A 40 48.539 -24.418 6.591 1.00 0.00 ATOM 160 C ASP A 40 48.436 -25.542 6.101 1.00 0.00 ATOM 161 N GLY A 41 48.014 -25.744 4.860 1.00 0.00 ATOM 162 CA GLY A 41 47.723 -24.676 3.919 1.00 0.00 ATOM 163 O GLY A 41 46.200 -22.851 4.121 1.00 0.00 ATOM 164 C GLY A 41 46.347 -24.065 4.194 1.00 0.00 ATOM 165 N ILE A 42 45.369 -24.868 4.619 1.00 0.00 ATOM 166 CA ILE A 42 44.090 -24.389 5.134 1.00 0.00 ATOM 167 O ILE A 42 43.674 -22.493 6.556 1.00 0.00 ATOM 168 C ILE A 42 44.288 -23.547 6.401 1.00 0.00 ATOM 169 N PRO A 43 45.183 -23.992 7.283 1.00 0.00 ATOM 170 CA PRO A 43 45.540 -23.335 8.530 1.00 0.00 ATOM 171 O PRO A 43 45.750 -20.956 8.729 1.00 0.00 ATOM 172 C PRO A 43 46.215 -21.992 8.263 1.00 0.00 ATOM 173 N MET A 44 47.268 -22.004 7.446 1.00 0.00 ATOM 174 CA MET A 44 47.914 -20.784 6.950 1.00 0.00 ATOM 175 O MET A 44 46.905 -18.682 6.602 1.00 0.00 ATOM 176 C MET A 44 46.939 -19.849 6.246 1.00 0.00 ATOM 177 N MET A 45 46.063 -20.326 5.365 1.00 0.00 ATOM 178 CA MET A 45 45.071 -19.466 4.703 1.00 0.00 ATOM 179 O MET A 45 43.652 -17.723 5.556 1.00 0.00 ATOM 180 C MET A 45 44.030 -18.888 5.683 1.00 0.00 ATOM 181 N LEU A 46 43.597 -19.655 6.689 1.00 0.00 ATOM 182 CA LEU A 46 42.666 -19.208 7.734 1.00 0.00 ATOM 183 O LEU A 46 42.711 -17.100 8.886 1.00 0.00 ATOM 184 C LEU A 46 43.292 -18.163 8.660 1.00 0.00 ATOM 185 N GLU A 47 44.495 -18.430 9.166 1.00 0.00 ATOM 186 CA GLU A 47 45.237 -17.504 10.008 1.00 0.00 ATOM 187 O GLU A 47 45.596 -15.166 9.719 1.00 0.00 ATOM 188 C GLU A 47 45.633 -16.271 9.194 1.00 0.00 ATOM 189 N SER A 48 45.939 -16.422 7.903 1.00 0.00 ATOM 190 CA SER A 48 46.238 -15.303 7.009 1.00 0.00 ATOM 191 O SER A 48 45.143 -13.206 6.635 1.00 0.00 ATOM 192 C SER A 48 45.018 -14.426 6.722 1.00 0.00 ATOM 193 N GLU A 49 43.831 -15.029 6.630 1.00 0.00 ATOM 194 CA GLU A 49 42.557 -14.307 6.547 1.00 0.00 ATOM 195 O GLU A 49 41.968 -12.266 7.664 1.00 0.00 ATOM 196 C GLU A 49 42.332 -13.436 7.790 1.00 0.00 ATOM 197 N ALA A 50 42.627 -13.957 8.986 1.00 0.00 ATOM 198 CA ALA A 50 42.589 -13.181 10.237 1.00 0.00 ATOM 199 O ALA A 50 43.455 -10.995 10.722 1.00 0.00 ATOM 200 C ALA A 50 43.711 -12.136 10.338 1.00 0.00 ATOM 201 N ARG A 51 44.933 -12.496 9.941 1.00 0.00 ATOM 202 CA ARG A 51 46.105 -11.618 9.889 1.00 0.00 ATOM 203 O ARG A 51 45.995 -9.253 9.485 1.00 0.00 ATOM 204 C ARG A 51 45.837 -10.387 9.031 1.00 0.00 ATOM 205 N GLU A 52 45.376 -10.606 7.803 1.00 0.00 ATOM 206 CA GLU A 52 45.183 -9.534 6.837 1.00 0.00 ATOM 207 O GLU A 52 44.133 -7.386 7.145 1.00 0.00 ATOM 208 C GLU A 52 44.021 -8.609 7.248 1.00 0.00 ATOM 209 N LEU A 53 42.931 -9.185 7.772 1.00 0.00 ATOM 210 CA LEU A 53 41.777 -8.441 8.290 1.00 0.00 ATOM 211 O LEU A 53 41.796 -6.406 9.558 1.00 0.00 ATOM 212 C LEU A 53 42.137 -7.587 9.512 1.00 0.00 ATOM 213 N ALA A 54 42.856 -8.153 10.483 1.00 0.00 ATOM 214 CA ALA A 54 43.292 -7.407 11.667 1.00 0.00 ATOM 215 O ALA A 54 44.164 -5.181 11.833 1.00 0.00 ATOM 216 C ALA A 54 44.283 -6.291 11.314 1.00 0.00 ATOM 217 N PRO A 55 45.201 -6.525 10.368 1.00 0.00 ATOM 218 CA PRO A 55 46.085 -5.472 9.835 1.00 0.00 ATOM 219 O PRO A 55 45.590 -3.189 9.360 1.00 0.00 ATOM 220 C PRO A 55 45.309 -4.361 9.121 1.00 0.00 ATOM 221 N GLU A 56 44.282 -4.690 8.334 1.00 0.00 ATOM 222 CA GLU A 56 43.367 -3.697 7.753 1.00 0.00 ATOM 223 O GLU A 56 42.449 -1.681 8.683 1.00 0.00 ATOM 224 C GLU A 56 42.589 -2.900 8.810 1.00 0.00 ATOM 225 N GLU A 57 42.150 -3.551 9.886 1.00 0.00 ATOM 226 CA GLU A 57 41.491 -2.871 10.995 1.00 0.00 ATOM 227 O GLU A 57 42.071 -0.872 12.209 1.00 0.00 ATOM 228 C GLU A 57 42.452 -1.969 11.800 1.00 0.00 ATOM 229 N GLU A 58 43.712 -2.382 11.971 1.00 0.00 ATOM 230 CA GLU A 58 44.773 -1.571 12.574 1.00 0.00 ATOM 231 O GLU A 58 45.198 0.771 12.234 1.00 0.00 ATOM 232 C GLU A 58 45.109 -0.340 11.711 1.00 0.00 ATOM 233 N VAL A 59 45.207 -0.490 10.385 1.00 0.00 ATOM 234 CA VAL A 59 45.336 0.643 9.453 1.00 0.00 ATOM 235 O VAL A 59 44.300 2.806 9.486 1.00 0.00 ATOM 236 C VAL A 59 44.127 1.587 9.505 1.00 0.00 ATOM 237 N LYS A 60 42.908 1.052 9.646 1.00 0.00 ATOM 238 CA LYS A 60 41.686 1.850 9.845 1.00 0.00 ATOM 239 O LYS A 60 41.290 3.789 11.206 1.00 0.00 ATOM 240 C LYS A 60 41.706 2.628 11.169 1.00 0.00 ATOM 241 N LEU A 61 42.247 2.036 12.241 1.00 0.00 ATOM 242 CA LEU A 61 42.460 2.721 13.516 1.00 0.00 ATOM 243 O LEU A 61 43.221 4.977 13.849 1.00 0.00 ATOM 244 C LEU A 61 43.482 3.863 13.400 1.00 0.00 ATOM 245 N GLU A 62 44.612 3.630 12.728 1.00 0.00 ATOM 246 CA GLU A 62 45.650 4.629 12.450 1.00 0.00 ATOM 247 O GLU A 62 45.361 6.951 11.916 1.00 0.00 ATOM 248 C GLU A 62 45.110 5.788 11.596 1.00 0.00 ATOM 249 N HIS A 63 39.041 -1.747 17.964 1.00 0.00 ATOM 250 CA HIS A 63 38.694 -2.174 16.599 1.00 0.00 ATOM 251 O HIS A 63 38.255 -4.195 15.354 1.00 0.00 ATOM 252 C HIS A 63 38.626 -3.709 16.427 1.00 0.00 ATOM 253 N HIS A 64 38.953 -4.485 17.468 1.00 0.00 ATOM 254 CA HIS A 64 38.798 -5.946 17.493 1.00 0.00 ATOM 255 O HIS A 64 36.442 -5.862 18.015 1.00 0.00 ATOM 256 C HIS A 64 37.323 -6.356 17.304 1.00 0.00 ATOM 257 N HIS A 65 37.049 -7.260 16.359 1.00 0.00 ATOM 258 CA HIS A 65 35.695 -7.720 16.017 1.00 0.00 ATOM 259 O HIS A 65 36.741 -9.669 15.020 1.00 0.00 ATOM 260 C HIS A 65 35.689 -9.108 15.343 1.00 0.00 ATOM 261 N HIS A 66 34.487 -9.637 15.092 1.00 0.00 ATOM 262 CA HIS A 66 34.236 -10.839 14.282 1.00 0.00 ATOM 263 O HIS A 66 33.157 -10.803 12.127 1.00 0.00 ATOM 264 C HIS A 66 33.041 -10.606 13.339 1.00 0.00 ATOM 265 N HIS A 67 31.915 -10.120 13.876 1.00 0.00 ATOM 266 CA HIS A 67 30.779 -9.631 13.086 1.00 0.00 ATOM 267 O HIS A 67 31.837 -7.463 13.020 1.00 0.00 ATOM 268 C HIS A 67 31.154 -8.294 12.410 1.00 0.00 ATOM 269 N HIS A 68 30.714 -8.077 11.164 1.00 0.00 ATOM 270 CA HIS A 68 31.076 -6.914 10.337 1.00 0.00 ATOM 271 O HIS A 68 29.419 -7.315 8.627 1.00 0.00 ATOM 272 C HIS A 68 29.912 -6.481 9.422 1.00 0.00 ENDMDL