EXPDTA T0348AL242_4-scwrl MODEL 1 REMARK 44 REMARK 44 model 1 is called T0348AL242_4-scwrl ATOM 1 N MET A 1 -4.586 -5.356 -15.007 1.00 0.00 ATOM 2 CA MET A 1 -3.537 -5.868 -15.882 1.00 0.00 ATOM 3 O MET A 1 -1.398 -4.830 -15.520 1.00 0.00 ATOM 4 C MET A 1 -2.183 -5.718 -15.187 1.00 0.00 ATOM 5 N ASP A 2 -1.917 -6.561 -14.217 1.00 0.00 ATOM 6 CA ASP A 2 -0.647 -6.529 -13.431 1.00 0.00 ATOM 7 O ASP A 2 0.694 -6.906 -15.390 1.00 0.00 ATOM 8 C ASP A 2 0.589 -6.332 -14.306 1.00 0.00 ATOM 9 N ALA A 3 1.522 -5.518 -13.815 1.00 0.00 ATOM 10 CA ALA A 3 2.758 -5.242 -14.541 1.00 0.00 ATOM 11 O ALA A 3 4.902 -5.632 -13.529 1.00 0.00 ATOM 12 C ALA A 3 3.887 -4.934 -13.561 1.00 0.00 ATOM 13 N LYS A 4 3.699 -3.886 -12.762 1.00 0.00 ATOM 14 CA LYS A 4 4.701 -3.488 -11.779 1.00 0.00 ATOM 15 O LYS A 4 3.526 -4.949 -10.282 1.00 0.00 ATOM 16 C LYS A 4 4.558 -4.315 -10.506 1.00 0.00 ATOM 17 N PHE A 5 5.600 -4.303 -9.677 1.00 0.00 ATOM 18 CA PHE A 5 5.586 -5.053 -8.426 1.00 0.00 ATOM 19 O PHE A 5 3.699 -5.568 -7.032 1.00 0.00 ATOM 20 C PHE A 5 4.357 -4.694 -7.593 1.00 0.00 ATOM 21 N LEU A 6 4.058 -3.401 -7.515 1.00 0.00 ATOM 22 CA LEU A 6 2.907 -2.937 -6.747 1.00 0.00 ATOM 23 O LEU A 6 0.618 -3.668 -6.682 1.00 0.00 ATOM 24 C LEU A 6 1.599 -3.411 -7.381 1.00 0.00 ATOM 25 N GLU A 7 1.591 -3.508 -8.710 1.00 0.00 ATOM 26 CA GLU A 7 0.395 -3.932 -9.431 1.00 0.00 ATOM 27 O GLU A 7 -1.132 -5.644 -8.729 1.00 0.00 ATOM 28 C GLU A 7 0.016 -5.371 -9.088 1.00 0.00 ATOM 29 N ILE A 8 0.983 -6.284 -9.188 1.00 0.00 ATOM 30 CA ILE A 8 0.729 -7.691 -8.877 1.00 0.00 ATOM 31 O ILE A 8 -0.609 -8.637 -7.118 1.00 0.00 ATOM 32 C ILE A 8 0.276 -7.837 -7.427 1.00 0.00 ATOM 33 N LEU A 9 0.885 -7.047 -6.547 1.00 0.00 ATOM 34 CA LEU A 9 0.541 -7.076 -5.131 1.00 0.00 ATOM 35 O LEU A 9 -1.641 -7.243 -4.138 1.00 0.00 ATOM 36 C LEU A 9 -0.909 -6.644 -4.927 1.00 0.00 ATOM 37 N VAL A 10 -1.312 -5.594 -5.641 1.00 0.00 ATOM 38 CA VAL A 10 -2.672 -5.075 -5.532 1.00 0.00 ATOM 39 O VAL A 10 -4.630 -6.347 -4.976 1.00 0.00 ATOM 40 C VAL A 10 -3.705 -6.174 -5.772 1.00 0.00 ATOM 41 N CYS A 11 -3.545 -6.916 -6.868 1.00 0.00 ATOM 42 CA CYS A 11 -4.481 -7.996 -7.187 1.00 0.00 ATOM 43 O CYS A 11 -5.570 -9.523 -5.687 1.00 0.00 ATOM 44 C CYS A 11 -4.508 -9.023 -6.058 1.00 0.00 ATOM 45 N PRO A 12 -3.331 -9.328 -5.517 1.00 0.00 ATOM 46 CA PRO A 12 -3.225 -10.293 -4.428 1.00 0.00 ATOM 47 O PRO A 12 -4.783 -10.514 -2.611 1.00 0.00 ATOM 48 C PRO A 12 -3.976 -9.791 -3.197 1.00 0.00 ATOM 49 N LEU A 13 -3.699 -8.546 -2.815 1.00 0.00 ATOM 50 CA LEU A 13 -4.345 -7.940 -1.653 1.00 0.00 ATOM 51 O LEU A 13 -6.591 -8.074 -0.821 1.00 0.00 ATOM 52 C LEU A 13 -5.865 -7.940 -1.805 1.00 0.00 ATOM 53 N CYS A 14 -6.339 -7.788 -3.041 1.00 0.00 ATOM 54 CA CYS A 14 -7.778 -7.771 -3.302 1.00 0.00 ATOM 55 O CYS A 14 -9.594 -9.068 -2.410 1.00 0.00 ATOM 56 C CYS A 14 -8.428 -9.062 -2.808 1.00 0.00 ATOM 57 N LYS A 15 -7.664 -10.151 -2.836 1.00 0.00 ATOM 58 CA LYS A 15 -8.168 -11.442 -2.393 1.00 0.00 ATOM 59 O LYS A 15 -8.506 -12.542 -0.285 1.00 0.00 ATOM 60 C LYS A 15 -8.010 -11.586 -0.882 1.00 0.00 ATOM 61 N GLY A 16 -7.325 -10.623 -0.269 1.00 0.00 ATOM 62 CA GLY A 16 -7.115 -10.643 1.173 1.00 0.00 ATOM 63 O GLY A 16 -8.328 -8.997 2.444 1.00 0.00 ATOM 64 C GLY A 16 -8.350 -10.097 1.889 1.00 0.00 ATOM 65 N PRO A 17 -9.428 -10.876 1.867 1.00 0.00 ATOM 66 CA PRO A 17 -10.673 -10.471 2.511 1.00 0.00 ATOM 67 O PRO A 17 -11.339 -9.784 4.716 1.00 0.00 ATOM 68 C PRO A 17 -10.485 -10.339 4.022 1.00 0.00 ATOM 69 N LEU A 18 -9.364 -10.854 4.525 1.00 0.00 ATOM 70 CA LEU A 18 -9.074 -10.792 5.955 1.00 0.00 ATOM 71 O LEU A 18 -7.857 -9.356 7.444 1.00 0.00 ATOM 72 C LEU A 18 -8.166 -9.606 6.278 1.00 0.00 ATOM 73 N VAL A 19 -7.745 -8.878 5.243 1.00 0.00 ATOM 74 CA VAL A 19 -6.875 -7.718 5.434 1.00 0.00 ATOM 75 O VAL A 19 -8.644 -6.569 6.579 1.00 0.00 ATOM 76 C VAL A 19 -7.437 -6.804 6.525 1.00 0.00 ATOM 77 N PHE A 20 -6.593 -6.288 7.389 1.00 0.00 ATOM 78 CA PHE A 20 -7.027 -5.379 8.496 1.00 0.00 ATOM 79 O PHE A 20 -6.847 -2.994 8.197 1.00 0.00 ATOM 80 C PHE A 20 -7.496 -4.017 7.972 1.00 0.00 ATOM 81 N ASP A 21 -8.627 -4.019 7.269 1.00 0.00 ATOM 82 CA ASP A 21 -9.185 -2.788 6.709 1.00 0.00 ATOM 83 O ASP A 21 -9.295 -0.555 7.589 1.00 0.00 ATOM 84 C ASP A 21 -9.446 -1.758 7.807 1.00 0.00 ATOM 85 N LYS A 22 -9.844 -2.241 8.983 1.00 0.00 ATOM 86 CA LYS A 22 -10.135 -1.358 10.109 1.00 0.00 ATOM 87 O LYS A 22 -9.071 -1.243 12.265 1.00 0.00 ATOM 88 C LYS A 22 -8.926 -1.247 11.041 1.00 0.00 ATOM 89 N SER A 23 -7.733 -1.146 10.452 1.00 0.00 ATOM 90 CA SER A 23 -6.505 -1.030 11.231 1.00 0.00 ATOM 91 O SER A 23 -4.919 -1.939 9.679 1.00 0.00 ATOM 92 C SER A 23 -5.307 -0.946 10.296 1.00 0.00 ATOM 93 N LYS A 24 -4.721 0.243 10.197 1.00 0.00 ATOM 94 CA LYS A 24 -3.568 0.437 9.335 1.00 0.00 ATOM 95 O LYS A 24 -2.354 2.096 10.579 1.00 0.00 ATOM 96 C LYS A 24 -2.387 0.941 10.149 1.00 0.00 ATOM 97 N ASP A 25 -1.419 0.061 10.343 1.00 0.00 ATOM 98 CA ASP A 25 -0.220 0.395 11.091 1.00 0.00 ATOM 99 O ASP A 25 0.936 -1.532 10.255 1.00 0.00 ATOM 100 C ASP A 25 0.974 -0.321 10.470 1.00 0.00 ATOM 101 N GLU A 26 2.018 0.438 10.163 1.00 0.00 ATOM 102 CA GLU A 26 3.212 -0.124 9.540 1.00 0.00 ATOM 103 O GLU A 26 3.895 -2.420 9.629 1.00 0.00 ATOM 104 C GLU A 26 3.694 -1.385 10.259 1.00 0.00 ATOM 105 N LEU A 27 3.900 -1.285 11.568 1.00 0.00 ATOM 106 CA LEU A 27 4.391 -2.423 12.352 1.00 0.00 ATOM 107 O LEU A 27 3.792 -4.734 12.080 1.00 0.00 ATOM 108 C LEU A 27 3.408 -3.596 12.351 1.00 0.00 ATOM 109 N ILE A 28 2.150 -3.317 12.678 1.00 0.00 ATOM 110 CA ILE A 28 1.128 -4.361 12.739 1.00 0.00 ATOM 111 O ILE A 28 1.002 -6.290 11.313 1.00 0.00 ATOM 112 C ILE A 28 0.958 -5.061 11.392 1.00 0.00 ATOM 113 N CYS A 29 0.757 -4.275 10.339 1.00 0.00 ATOM 114 CA CYS A 29 0.572 -4.838 9.007 1.00 0.00 ATOM 115 O CYS A 29 1.826 -6.506 7.823 1.00 0.00 ATOM 116 C CYS A 29 1.866 -5.481 8.503 1.00 0.00 ATOM 117 N LYS A 30 3.010 -4.892 8.850 1.00 0.00 ATOM 118 CA LYS A 30 4.296 -5.451 8.431 1.00 0.00 ATOM 119 O LYS A 30 4.702 -7.788 8.043 1.00 0.00 ATOM 120 C LYS A 30 4.388 -6.915 8.853 1.00 0.00 ATOM 121 N GLY A 31 4.099 -7.170 10.129 1.00 0.00 ATOM 122 CA GLY A 31 4.136 -8.523 10.666 1.00 0.00 ATOM 123 O GLY A 31 3.282 -10.593 9.805 1.00 0.00 ATOM 124 C GLY A 31 3.083 -9.393 9.988 1.00 0.00 ATOM 125 N ASP A 32 1.963 -8.773 9.614 1.00 0.00 ATOM 126 CA ASP A 32 0.877 -9.493 8.952 1.00 0.00 ATOM 127 O ASP A 32 0.960 -11.234 7.300 1.00 0.00 ATOM 128 C ASP A 32 1.379 -10.135 7.663 1.00 0.00 ATOM 129 N ARG A 33 2.286 -9.441 6.984 1.00 0.00 ATOM 130 CA ARG A 33 2.856 -9.951 5.743 1.00 0.00 ATOM 131 O ARG A 33 3.793 -12.146 5.472 1.00 0.00 ATOM 132 C ARG A 33 3.856 -11.061 6.049 1.00 0.00 ATOM 133 N LEU A 34 4.774 -10.776 6.971 1.00 0.00 ATOM 134 CA LEU A 34 5.789 -11.749 7.369 1.00 0.00 ATOM 135 O LEU A 34 5.747 -14.034 8.116 1.00 0.00 ATOM 136 C LEU A 34 5.142 -12.965 8.032 1.00 0.00 ATOM 137 N ALA A 35 3.907 -12.787 8.496 1.00 0.00 ATOM 138 CA ALA A 35 3.165 -13.865 9.149 1.00 0.00 ATOM 139 O ALA A 35 2.423 -16.068 8.549 1.00 0.00 ATOM 140 C ALA A 35 2.860 -14.984 8.160 1.00 0.00 ATOM 141 N PHE A 36 3.080 -14.704 6.879 1.00 0.00 ATOM 142 CA PHE A 36 2.812 -15.685 5.830 1.00 0.00 ATOM 143 O PHE A 36 3.931 -14.442 4.098 1.00 0.00 ATOM 144 C PHE A 36 3.792 -15.524 4.670 1.00 0.00 ATOM 145 N PRO A 37 4.468 -16.624 4.342 1.00 0.00 ATOM 146 CA PRO A 37 5.449 -16.647 3.256 1.00 0.00 ATOM 147 O PRO A 37 5.619 -15.637 1.083 1.00 0.00 ATOM 148 C PRO A 37 4.873 -16.060 1.968 1.00 0.00 ATOM 149 N ILE A 38 3.548 -16.055 1.863 1.00 0.00 ATOM 150 CA ILE A 38 2.881 -15.541 0.670 1.00 0.00 ATOM 151 O ILE A 38 3.507 -13.728 -0.766 1.00 0.00 ATOM 152 C ILE A 38 3.289 -14.096 0.386 1.00 0.00 ATOM 153 N LYS A 39 3.390 -13.284 1.436 1.00 0.00 ATOM 154 CA LYS A 39 3.778 -11.883 1.272 1.00 0.00 ATOM 155 O LYS A 39 5.862 -10.698 1.092 1.00 0.00 ATOM 156 C LYS A 39 5.280 -11.706 1.494 1.00 0.00 ATOM 157 N ASP A 40 5.895 -12.690 2.144 1.00 0.00 ATOM 158 CA ASP A 40 7.328 -12.646 2.426 1.00 0.00 ATOM 159 O ASP A 40 9.172 -11.746 1.174 1.00 0.00 ATOM 160 C ASP A 40 8.145 -12.426 1.151 1.00 0.00 ATOM 161 N GLY A 41 7.698 -13.025 0.048 1.00 0.00 ATOM 162 CA GLY A 41 8.415 -12.910 -1.223 1.00 0.00 ATOM 163 O GLY A 41 8.606 -11.356 -3.042 1.00 0.00 ATOM 164 C GLY A 41 8.153 -11.570 -1.917 1.00 0.00 ATOM 165 N ILE A 42 7.428 -10.673 -1.251 1.00 0.00 ATOM 166 CA ILE A 42 7.130 -9.366 -1.836 1.00 0.00 ATOM 167 O ILE A 42 6.384 -7.292 -0.873 1.00 0.00 ATOM 168 C ILE A 42 7.114 -8.279 -0.764 1.00 0.00 ATOM 169 N PRO A 43 7.933 -8.460 0.265 1.00 0.00 ATOM 170 CA PRO A 43 8.016 -7.482 1.343 1.00 0.00 ATOM 171 O PRO A 43 8.004 -5.084 1.210 1.00 0.00 ATOM 172 C PRO A 43 8.483 -6.138 0.794 1.00 0.00 ATOM 173 N MET A 44 9.420 -6.195 -0.150 1.00 0.00 ATOM 174 CA MET A 44 9.962 -4.988 -0.769 1.00 0.00 ATOM 175 O MET A 44 8.951 -2.950 -1.535 1.00 0.00 ATOM 176 C MET A 44 8.860 -4.175 -1.442 1.00 0.00 ATOM 177 N MET A 45 7.821 -4.863 -1.912 1.00 0.00 ATOM 178 CA MET A 45 6.712 -4.189 -2.579 1.00 0.00 ATOM 179 O MET A 45 5.500 -2.272 -1.800 1.00 0.00 ATOM 180 C MET A 45 5.861 -3.426 -1.568 1.00 0.00 ATOM 181 N LEU A 46 5.548 -4.072 -0.447 1.00 0.00 ATOM 182 CA LEU A 46 4.742 -3.432 0.589 1.00 0.00 ATOM 183 O LEU A 46 4.808 -1.093 1.122 1.00 0.00 ATOM 184 C LEU A 46 5.425 -2.158 1.072 1.00 0.00 ATOM 185 N GLU A 47 6.706 -2.276 1.416 1.00 0.00 ATOM 186 CA GLU A 47 7.473 -1.130 1.882 1.00 0.00 ATOM 187 O GLU A 47 7.218 1.167 1.226 1.00 0.00 ATOM 188 C GLU A 47 7.395 0.003 0.864 1.00 0.00 ATOM 189 N SER A 48 7.521 -0.352 -0.413 1.00 0.00 ATOM 190 CA SER A 48 7.457 0.634 -1.485 1.00 0.00 ATOM 191 O SER A 48 5.907 2.450 -1.740 1.00 0.00 ATOM 192 C SER A 48 6.059 1.240 -1.565 1.00 0.00 ATOM 193 N GLU A 49 5.043 0.391 -1.425 1.00 0.00 ATOM 194 CA GLU A 49 3.660 0.853 -1.475 1.00 0.00 ATOM 195 O GLU A 49 2.838 2.927 -0.588 1.00 0.00 ATOM 196 C GLU A 49 3.409 1.861 -0.359 1.00 0.00 ATOM 197 N ALA A 50 3.856 1.517 0.847 1.00 0.00 ATOM 198 CA ALA A 50 3.697 2.399 1.997 1.00 0.00 ATOM 199 O ALA A 50 3.662 4.799 1.923 1.00 0.00 ATOM 200 C ALA A 50 4.298 3.769 1.697 1.00 0.00 ATOM 201 N ARG A 51 5.527 3.767 1.178 1.00 0.00 ATOM 202 CA ARG A 51 6.211 5.012 0.838 1.00 0.00 ATOM 203 O ARG A 51 5.274 7.093 0.090 1.00 0.00 ATOM 204 C ARG A 51 5.324 5.872 -0.057 1.00 0.00 ATOM 205 N GLU A 52 4.619 5.222 -0.977 1.00 0.00 ATOM 206 CA GLU A 52 3.725 5.932 -1.882 1.00 0.00 ATOM 207 O GLU A 52 2.031 7.530 -1.299 1.00 0.00 ATOM 208 C GLU A 52 2.484 6.399 -1.127 1.00 0.00 ATOM 209 N LEU A 53 1.940 5.515 -0.290 1.00 0.00 ATOM 210 CA LEU A 53 0.749 5.840 0.492 1.00 0.00 ATOM 211 O LEU A 53 0.263 8.086 1.186 1.00 0.00 ATOM 212 C LEU A 53 0.979 7.095 1.333 1.00 0.00 ATOM 213 N ALA A 54 1.984 7.049 2.208 1.00 0.00 ATOM 214 CA ALA A 54 2.295 8.195 3.060 1.00 0.00 ATOM 215 O ALA A 54 2.219 10.536 2.555 1.00 0.00 ATOM 216 C ALA A 54 2.593 9.428 2.209 1.00 0.00 ATOM 217 N PRO A 55 3.266 9.225 1.092 1.00 0.00 ATOM 218 CA PRO A 55 3.601 10.334 0.205 1.00 0.00 ATOM 219 O PRO A 55 2.361 12.280 -0.461 1.00 0.00 ATOM 220 C PRO A 55 2.337 11.067 -0.256 1.00 0.00 ATOM 221 N GLU A 56 1.240 10.328 -0.426 1.00 0.00 ATOM 222 CA GLU A 56 -0.017 10.934 -0.875 1.00 0.00 ATOM 223 O GLU A 56 -1.513 12.522 0.133 1.00 0.00 ATOM 224 C GLU A 56 -0.799 11.531 0.296 1.00 0.00 ATOM 225 N GLU A 57 -0.658 10.924 1.470 1.00 0.00 ATOM 226 CA GLU A 57 -1.352 11.398 2.668 1.00 0.00 ATOM 227 O GLU A 57 -0.746 13.415 3.832 1.00 0.00 ATOM 228 C GLU A 57 -0.426 12.271 3.508 1.00 0.00 ATOM 229 N GLU A 58 0.723 11.706 3.849 1.00 0.00 ATOM 230 CA GLU A 58 1.728 12.394 4.651 1.00 0.00 ATOM 231 O GLU A 58 3.200 14.273 4.385 1.00 0.00 ATOM 232 C GLU A 58 2.394 13.511 3.849 1.00 0.00 ATOM 233 N VAL A 59 2.047 13.605 2.567 1.00 0.00 ATOM 234 CA VAL A 59 2.610 14.636 1.701 1.00 0.00 ATOM 235 O VAL A 59 1.987 16.950 1.717 1.00 0.00 ATOM 236 C VAL A 59 1.630 15.785 1.535 1.00 0.00 ATOM 237 N LYS A 60 0.386 15.442 1.207 1.00 0.00 ATOM 238 CA LYS A 60 -0.660 16.434 1.034 1.00 0.00 ATOM 239 O LYS A 60 0.716 17.434 -0.667 1.00 0.00 ATOM 240 C LYS A 60 -0.176 17.600 0.167 1.00 0.00 ATOM 241 N LEU A 61 -0.769 18.775 0.370 1.00 0.00 ATOM 242 CA LEU A 61 -0.391 19.960 -0.396 1.00 0.00 ATOM 243 O LEU A 61 0.894 21.914 0.173 1.00 0.00 ATOM 244 C LEU A 61 0.756 20.696 0.295 1.00 0.00 ATOM 245 N GLU A 62 1.576 19.939 1.017 1.00 0.00 ATOM 246 CA GLU A 62 2.715 20.512 1.728 1.00 0.00 ATOM 247 O GLU A 62 5.060 20.127 1.368 1.00 0.00 ATOM 248 C GLU A 62 3.975 20.434 0.870 1.00 0.00 ATOM 249 N HIS A 63 3.826 20.717 -0.424 1.00 0.00 ATOM 250 CA HIS A 63 4.962 20.678 -1.342 1.00 0.00 ATOM 251 O HIS A 63 5.812 22.730 -0.427 1.00 0.00 ATOM 252 C HIS A 63 6.073 21.604 -0.853 1.00 0.00 ATOM 253 N HIS A 64 7.311 21.118 -0.911 1.00 0.00 ATOM 254 CA HIS A 64 8.456 21.905 -0.464 1.00 0.00 ATOM 255 O HIS A 64 10.129 22.643 -2.019 1.00 0.00 ATOM 256 C HIS A 64 9.646 21.697 -1.396 1.00 0.00 ATOM 257 N HIS A 65 10.112 20.454 -1.486 1.00 0.00 ATOM 258 CA HIS A 65 11.246 20.130 -2.347 1.00 0.00 ATOM 259 O HIS A 65 11.857 21.114 -4.451 1.00 0.00 ATOM 260 C HIS A 65 10.975 20.575 -3.782 1.00 0.00 ATOM 261 N HIS A 66 9.746 20.349 -4.243 1.00 0.00 ATOM 262 CA HIS A 66 9.359 20.732 -5.597 1.00 0.00 ATOM 263 O HIS A 66 7.442 22.135 -5.231 1.00 0.00 ATOM 264 C HIS A 66 8.623 22.069 -5.575 1.00 0.00 ATOM 265 N HIS A 67 9.336 23.134 -5.934 1.00 0.00 ATOM 266 CA HIS A 67 8.751 24.472 -5.946 1.00 0.00 ATOM 267 O HIS A 67 8.112 25.729 -7.895 1.00 0.00 ATOM 268 C HIS A 67 7.958 24.702 -7.232 1.00 0.00 ATOM 269 N HIS A 68 7.107 23.737 -7.573 1.00 0.00 ATOM 270 CA HIS A 68 6.287 23.834 -8.777 1.00 0.00 ATOM 271 O HIS A 68 4.016 24.420 -9.032 1.00 0.00 ATOM 272 C HIS A 68 4.807 23.717 -8.425 1.00 0.00 ENDMDL