EXPDTA POMYSL_TS4-scwrl MODEL 1 REMARK 44 REMARK 44 model 1 is called POMYSL_TS4-scwrl ATOM 1 N MET A 1 14.842 61.189 9.975 1.00 0.00 ATOM 2 CA MET A 1 13.532 61.816 10.264 1.00 0.00 ATOM 3 CB MET A 1 13.670 63.338 10.330 1.00 0.00 ATOM 4 CG MET A 1 14.515 63.835 11.491 1.00 0.00 ATOM 5 SD MET A 1 13.824 63.390 13.096 1.00 0.00 ATOM 6 CE MET A 1 12.366 64.429 13.137 1.00 0.00 ATOM 7 O MET A 1 12.795 60.644 8.340 1.00 0.00 ATOM 8 C MET A 1 12.540 61.483 9.204 1.00 0.00 ATOM 9 N ASP A 2 11.363 62.131 9.252 1.00 0.00 ATOM 10 CA ASP A 2 10.358 61.800 8.291 1.00 0.00 ATOM 11 CB ASP A 2 8.968 61.856 8.928 1.00 0.00 ATOM 12 CG ASP A 2 7.891 61.283 8.028 1.00 0.00 ATOM 13 OD1 ASP A 2 8.237 60.745 6.956 1.00 0.00 ATOM 14 OD2 ASP A 2 6.701 61.372 8.395 1.00 0.00 ATOM 15 O ASP A 2 9.556 63.634 7.012 1.00 0.00 ATOM 16 C ASP A 2 10.426 62.780 7.169 1.00 0.00 ATOM 17 N ALA A 3 11.481 62.642 6.343 1.00 0.00 ATOM 18 CA ALA A 3 11.704 63.483 5.204 1.00 0.00 ATOM 19 CB ALA A 3 12.556 64.683 5.589 1.00 0.00 ATOM 20 O ALA A 3 12.801 61.501 4.517 1.00 0.00 ATOM 21 C ALA A 3 12.409 62.625 4.205 1.00 0.00 ATOM 22 N LYS A 4 12.574 63.107 2.960 1.00 0.00 ATOM 23 CA LYS A 4 13.264 62.260 2.033 1.00 0.00 ATOM 24 CB LYS A 4 13.231 62.865 0.628 1.00 0.00 ATOM 25 CG LYS A 4 11.854 62.864 -0.016 1.00 0.00 ATOM 26 CD LYS A 4 11.896 63.470 -1.409 1.00 0.00 ATOM 27 CE LYS A 4 10.519 63.470 -2.053 1.00 0.00 ATOM 28 NZ LYS A 4 10.544 64.064 -3.418 1.00 0.00 ATOM 29 O LYS A 4 15.341 63.118 2.803 1.00 0.00 ATOM 30 C LYS A 4 14.677 62.131 2.493 1.00 0.00 ATOM 31 N PHE A 5 15.165 60.878 2.564 1.00 0.00 ATOM 32 CA PHE A 5 16.506 60.618 2.993 1.00 0.00 ATOM 33 CB PHE A 5 16.749 59.112 3.110 1.00 0.00 ATOM 34 CG PHE A 5 18.145 58.754 3.531 1.00 0.00 ATOM 35 CD1 PHE A 5 18.530 58.851 4.857 1.00 0.00 ATOM 36 CD2 PHE A 5 19.074 58.320 2.602 1.00 0.00 ATOM 37 CE1 PHE A 5 19.815 58.522 5.245 1.00 0.00 ATOM 38 CE2 PHE A 5 20.359 57.990 2.989 1.00 0.00 ATOM 39 CZ PHE A 5 20.731 58.090 4.305 1.00 0.00 ATOM 40 O PHE A 5 18.425 61.877 2.403 1.00 0.00 ATOM 41 C PHE A 5 17.488 61.182 2.012 1.00 0.00 ATOM 42 N LEU A 6 17.304 60.931 0.703 1.00 0.00 ATOM 43 CA LEU A 6 18.219 61.506 -0.245 1.00 0.00 ATOM 44 CB LEU A 6 18.544 60.502 -1.353 1.00 0.00 ATOM 45 CG LEU A 6 19.190 59.188 -0.909 1.00 0.00 ATOM 46 CD1 LEU A 6 19.428 58.276 -2.102 1.00 0.00 ATOM 47 CD2 LEU A 6 20.529 59.448 -0.235 1.00 0.00 ATOM 48 O LEU A 6 16.738 62.590 -1.740 1.00 0.00 ATOM 49 C LEU A 6 17.526 62.705 -0.802 1.00 0.00 ATOM 50 N GLU A 7 17.800 63.895 -0.225 1.00 0.00 ATOM 51 CA GLU A 7 17.102 65.096 -0.598 1.00 0.00 ATOM 52 CB GLU A 7 17.472 66.245 0.343 1.00 0.00 ATOM 53 CG GLU A 7 16.927 66.092 1.753 1.00 0.00 ATOM 54 CD GLU A 7 17.429 67.171 2.692 1.00 0.00 ATOM 55 OE1 GLU A 7 18.259 67.997 2.258 1.00 0.00 ATOM 56 OE2 GLU A 7 16.994 67.190 3.863 1.00 0.00 ATOM 57 O GLU A 7 16.506 65.788 -2.781 1.00 0.00 ATOM 58 C GLU A 7 17.419 65.546 -1.991 1.00 0.00 ATOM 59 N ILE A 8 18.713 65.649 -2.360 1.00 0.00 ATOM 60 CA ILE A 8 18.931 66.183 -3.672 1.00 0.00 ATOM 61 CB ILE A 8 19.585 67.576 -3.613 1.00 0.00 ATOM 62 CG1 ILE A 8 18.682 68.558 -2.864 1.00 0.00 ATOM 63 CG2 ILE A 8 19.822 68.113 -5.016 1.00 0.00 ATOM 64 CD1 ILE A 8 19.336 69.892 -2.578 1.00 0.00 ATOM 65 O ILE A 8 20.853 64.817 -3.950 1.00 0.00 ATOM 66 C ILE A 8 19.825 65.283 -4.442 1.00 0.00 ATOM 67 N LEU A 9 19.425 64.996 -5.691 1.00 0.00 ATOM 68 CA LEU A 9 20.276 64.225 -6.540 1.00 0.00 ATOM 69 CB LEU A 9 20.370 62.783 -6.038 1.00 0.00 ATOM 70 CG LEU A 9 21.269 61.842 -6.842 1.00 0.00 ATOM 71 CD1 LEU A 9 22.729 62.243 -6.700 1.00 0.00 ATOM 72 CD2 LEU A 9 21.120 60.409 -6.355 1.00 0.00 ATOM 73 O LEU A 9 18.414 64.280 -7.993 1.00 0.00 ATOM 74 C LEU A 9 19.639 64.286 -7.886 1.00 0.00 ATOM 75 N VAL A 10 20.433 64.376 -8.965 1.00 0.00 ATOM 76 CA VAL A 10 19.766 64.432 -10.229 1.00 0.00 ATOM 77 CB VAL A 10 20.000 65.782 -10.931 1.00 0.00 ATOM 78 CG1 VAL A 10 19.329 65.796 -12.296 1.00 0.00 ATOM 79 CG2 VAL A 10 19.426 66.921 -10.102 1.00 0.00 ATOM 80 O VAL A 10 21.489 63.103 -11.154 1.00 0.00 ATOM 81 C VAL A 10 20.285 63.348 -11.099 1.00 0.00 ATOM 82 N CYS A 11 19.366 62.654 -11.795 1.00 0.00 ATOM 83 CA CYS A 11 19.780 61.659 -12.733 1.00 0.00 ATOM 84 CB CYS A 11 19.480 60.258 -12.195 1.00 0.00 ATOM 85 SG CYS A 11 20.379 59.829 -10.687 1.00 0.00 ATOM 86 O CYS A 11 17.849 62.314 -13.961 1.00 0.00 ATOM 87 C CYS A 11 19.012 61.912 -13.985 1.00 0.00 ATOM 88 N PRO A 12 19.684 61.723 -15.084 1.00 0.00 ATOM 89 CA PRO A 12 19.120 61.941 -16.383 1.00 0.00 ATOM 90 CB PRO A 12 20.303 61.758 -17.336 1.00 0.00 ATOM 91 CG PRO A 12 21.270 60.915 -16.573 1.00 0.00 ATOM 92 CD PRO A 12 21.118 61.308 -15.131 1.00 0.00 ATOM 93 O PRO A 12 17.167 61.320 -17.503 1.00 0.00 ATOM 94 C PRO A 12 18.031 60.976 -16.699 1.00 0.00 ATOM 95 N LEU A 13 18.047 59.766 -16.112 1.00 0.00 ATOM 96 CA LEU A 13 16.998 58.846 -16.435 1.00 0.00 ATOM 97 CB LEU A 13 17.543 57.682 -17.266 1.00 0.00 ATOM 98 CG LEU A 13 18.164 58.046 -18.616 1.00 0.00 ATOM 99 CD1 LEU A 13 18.816 56.828 -19.253 1.00 0.00 ATOM 100 CD2 LEU A 13 17.103 58.571 -19.572 1.00 0.00 ATOM 101 O LEU A 13 16.992 58.484 -14.092 1.00 0.00 ATOM 102 C LEU A 13 16.418 58.319 -15.166 1.00 0.00 ATOM 103 N CYS A 14 15.224 57.700 -15.269 1.00 0.00 ATOM 104 CA CYS A 14 14.541 57.135 -14.141 1.00 0.00 ATOM 105 CB CYS A 14 15.312 55.931 -13.596 1.00 0.00 ATOM 106 SG CYS A 14 15.461 54.553 -14.757 1.00 0.00 ATOM 107 O CYS A 14 14.699 57.880 -11.901 1.00 0.00 ATOM 108 C CYS A 14 14.422 58.156 -13.067 1.00 0.00 ATOM 109 N LYS A 15 13.995 59.377 -13.424 1.00 0.00 ATOM 110 CA LYS A 15 13.867 60.330 -12.371 1.00 0.00 ATOM 111 CB LYS A 15 13.955 61.754 -12.923 1.00 0.00 ATOM 112 CG LYS A 15 13.893 62.838 -11.859 1.00 0.00 ATOM 113 CD LYS A 15 14.084 64.218 -12.466 1.00 0.00 ATOM 114 CE LYS A 15 14.073 65.298 -11.395 1.00 0.00 ATOM 115 NZ LYS A 15 14.285 66.654 -11.972 1.00 0.00 ATOM 116 O LYS A 15 11.509 60.558 -12.256 1.00 0.00 ATOM 117 C LYS A 15 12.528 60.075 -11.763 1.00 0.00 ATOM 118 N GLY A 16 12.491 59.293 -10.667 1.00 0.00 ATOM 119 CA GLY A 16 11.216 59.025 -10.080 1.00 0.00 ATOM 120 O GLY A 16 11.998 58.056 -8.045 1.00 0.00 ATOM 121 C GLY A 16 11.398 58.975 -8.604 1.00 0.00 ATOM 122 N PRO A 17 10.867 59.980 -7.974 1.00 0.00 ATOM 123 CA PRO A 17 10.932 60.088 -6.548 1.00 0.00 ATOM 124 CB PRO A 17 10.105 61.336 -6.233 1.00 0.00 ATOM 125 CG PRO A 17 10.222 62.181 -7.458 1.00 0.00 ATOM 126 CD PRO A 17 10.197 61.231 -8.623 1.00 0.00 ATOM 127 O PRO A 17 10.897 58.356 -4.964 1.00 0.00 ATOM 128 C PRO A 17 10.349 58.850 -5.948 1.00 0.00 ATOM 129 N LEU A 18 9.228 58.340 -6.503 1.00 0.00 ATOM 130 CA LEU A 18 8.655 57.147 -5.953 1.00 0.00 ATOM 131 CB LEU A 18 7.363 57.471 -5.200 1.00 0.00 ATOM 132 CG LEU A 18 7.501 58.385 -3.980 1.00 0.00 ATOM 133 CD1 LEU A 18 6.132 58.771 -3.441 1.00 0.00 ATOM 134 CD2 LEU A 18 8.270 57.687 -2.869 1.00 0.00 ATOM 135 O LEU A 18 7.919 56.636 -8.151 1.00 0.00 ATOM 136 C LEU A 18 8.362 56.220 -7.082 1.00 0.00 ATOM 137 N VAL A 19 8.628 54.922 -6.868 1.00 0.00 ATOM 138 CA VAL A 19 8.291 53.965 -7.868 1.00 0.00 ATOM 139 CB VAL A 19 9.548 53.396 -8.551 1.00 0.00 ATOM 140 CG1 VAL A 19 9.165 52.342 -9.579 1.00 0.00 ATOM 141 CG2 VAL A 19 10.317 54.501 -9.259 1.00 0.00 ATOM 142 O VAL A 19 7.849 52.596 -5.987 1.00 0.00 ATOM 143 C VAL A 19 7.551 52.890 -7.144 1.00 0.00 ATOM 144 N PHE A 20 6.541 52.285 -7.796 1.00 0.00 ATOM 145 CA PHE A 20 5.784 51.288 -7.104 1.00 0.00 ATOM 146 CB PHE A 20 4.342 51.260 -7.614 1.00 0.00 ATOM 147 CG PHE A 20 3.544 52.477 -7.244 1.00 0.00 ATOM 148 CD1 PHE A 20 3.376 53.513 -8.146 1.00 0.00 ATOM 149 CD2 PHE A 20 2.961 52.586 -5.993 1.00 0.00 ATOM 150 CE1 PHE A 20 2.642 54.633 -7.805 1.00 0.00 ATOM 151 CE2 PHE A 20 2.227 53.707 -5.652 1.00 0.00 ATOM 152 CZ PHE A 20 2.066 54.727 -6.552 1.00 0.00 ATOM 153 O PHE A 20 6.851 49.675 -8.475 1.00 0.00 ATOM 154 C PHE A 20 6.438 49.969 -7.355 1.00 0.00 ATOM 155 N ASP A 21 6.587 49.156 -6.290 1.00 0.00 ATOM 156 CA ASP A 21 7.123 47.832 -6.426 1.00 0.00 ATOM 157 CB ASP A 21 8.232 47.595 -5.399 1.00 0.00 ATOM 158 CG ASP A 21 9.427 48.504 -5.611 1.00 0.00 ATOM 159 OD1 ASP A 21 9.899 48.606 -6.763 1.00 0.00 ATOM 160 OD2 ASP A 21 9.891 49.115 -4.626 1.00 0.00 ATOM 161 O ASP A 21 4.901 47.303 -5.789 1.00 0.00 ATOM 162 C ASP A 21 5.986 46.892 -6.195 1.00 0.00 ATOM 163 N LYS A 22 6.181 45.593 -6.487 1.00 0.00 ATOM 164 CA LYS A 22 5.078 44.717 -6.247 1.00 0.00 ATOM 165 CB LYS A 22 4.388 44.352 -7.563 1.00 0.00 ATOM 166 CG LYS A 22 3.689 45.519 -8.242 1.00 0.00 ATOM 167 CD LYS A 22 2.951 45.068 -9.492 1.00 0.00 ATOM 168 CE LYS A 22 2.251 46.234 -10.170 1.00 0.00 ATOM 169 NZ LYS A 22 1.546 45.813 -11.412 1.00 0.00 ATOM 170 O LYS A 22 6.672 42.983 -5.987 1.00 0.00 ATOM 171 C LYS A 22 5.620 43.486 -5.594 1.00 0.00 ATOM 172 N SER A 23 4.914 42.985 -4.556 1.00 0.00 ATOM 173 CA SER A 23 5.398 41.860 -3.806 1.00 0.00 ATOM 174 CB SER A 23 5.455 42.195 -2.314 1.00 0.00 ATOM 175 OG SER A 23 6.373 43.245 -2.062 1.00 0.00 ATOM 176 O SER A 23 3.271 40.866 -4.175 1.00 0.00 ATOM 177 C SER A 23 4.478 40.700 -4.012 1.00 0.00 ATOM 178 N LYS A 24 5.052 39.479 -4.025 1.00 0.00 ATOM 179 CA LYS A 24 4.259 38.306 -4.227 1.00 0.00 ATOM 180 CB LYS A 24 3.985 38.095 -5.717 1.00 0.00 ATOM 181 CG LYS A 24 3.028 36.952 -6.016 1.00 0.00 ATOM 182 CD LYS A 24 2.773 36.822 -7.509 1.00 0.00 ATOM 183 CE LYS A 24 1.740 35.745 -7.801 1.00 0.00 ATOM 184 NZ LYS A 24 1.511 35.577 -9.263 1.00 0.00 ATOM 185 O LYS A 24 6.222 37.016 -3.873 1.00 0.00 ATOM 186 C LYS A 24 5.012 37.130 -3.684 1.00 0.00 ATOM 187 N ASP A 25 4.313 36.219 -2.974 1.00 0.00 ATOM 188 CA ASP A 25 4.982 35.042 -2.499 1.00 0.00 ATOM 189 CB ASP A 25 5.164 35.105 -0.981 1.00 0.00 ATOM 190 CG ASP A 25 5.977 33.944 -0.443 1.00 0.00 ATOM 191 OD1 ASP A 25 6.313 33.037 -1.234 1.00 0.00 ATOM 192 OD2 ASP A 25 6.279 33.941 0.769 1.00 0.00 ATOM 193 O ASP A 25 2.928 33.859 -2.615 1.00 0.00 ATOM 194 C ASP A 25 4.133 33.867 -2.864 1.00 0.00 ATOM 195 N GLU A 26 4.747 32.837 -3.477 1.00 0.00 ATOM 196 CA GLU A 26 4.000 31.677 -3.857 1.00 0.00 ATOM 197 CB GLU A 26 4.896 30.681 -4.595 1.00 0.00 ATOM 198 CG GLU A 26 5.313 31.132 -5.985 1.00 0.00 ATOM 199 CD GLU A 26 6.297 30.181 -6.637 1.00 0.00 ATOM 200 OE1 GLU A 26 6.710 29.207 -5.972 1.00 0.00 ATOM 201 OE2 GLU A 26 6.655 30.408 -7.811 1.00 0.00 ATOM 202 O GLU A 26 2.366 30.582 -2.507 1.00 0.00 ATOM 203 C GLU A 26 3.487 31.086 -2.587 1.00 0.00 ATOM 204 N LEU A 27 4.320 31.163 -1.538 1.00 0.00 ATOM 205 CA LEU A 27 3.955 30.577 -0.290 1.00 0.00 ATOM 206 CB LEU A 27 5.073 30.765 0.738 1.00 0.00 ATOM 207 CG LEU A 27 4.812 30.198 2.135 1.00 0.00 ATOM 208 CD1 LEU A 27 4.618 28.691 2.076 1.00 0.00 ATOM 209 CD2 LEU A 27 5.982 30.491 3.061 1.00 0.00 ATOM 210 O LEU A 27 1.767 30.574 0.608 1.00 0.00 ATOM 211 C LEU A 27 2.709 31.248 0.196 1.00 0.00 ATOM 212 N ILE A 28 2.643 32.593 0.163 1.00 0.00 ATOM 213 CA ILE A 28 1.427 33.165 0.656 1.00 0.00 ATOM 214 CB ILE A 28 1.703 34.334 1.619 1.00 0.00 ATOM 215 CG1 ILE A 28 2.590 33.873 2.778 1.00 0.00 ATOM 216 CG2 ILE A 28 0.401 34.870 2.194 1.00 0.00 ATOM 217 CD1 ILE A 28 3.058 34.998 3.674 1.00 0.00 ATOM 218 O ILE A 28 0.642 34.850 -0.833 1.00 0.00 ATOM 219 C ILE A 28 0.666 33.657 -0.531 1.00 0.00 ATOM 220 N CYS A 29 0.015 32.709 -1.221 1.00 0.00 ATOM 221 CA CYS A 29 -0.805 32.901 -2.381 1.00 0.00 ATOM 222 CB CYS A 29 0.045 33.355 -3.569 1.00 0.00 ATOM 223 SG CYS A 29 -0.893 33.671 -5.082 1.00 0.00 ATOM 224 O CYS A 29 -2.574 31.325 -2.628 1.00 0.00 ATOM 225 C CYS A 29 -1.367 31.539 -2.549 1.00 0.00 ATOM 226 N LYS A 30 -0.440 30.574 -2.641 1.00 0.00 ATOM 227 CA LYS A 30 -0.764 29.188 -2.572 1.00 0.00 ATOM 228 CB LYS A 30 0.256 28.360 -3.356 1.00 0.00 ATOM 229 CG LYS A 30 -0.038 26.868 -3.374 1.00 0.00 ATOM 230 CD LYS A 30 0.977 26.116 -4.218 1.00 0.00 ATOM 231 CE LYS A 30 0.625 24.641 -4.321 1.00 0.00 ATOM 232 NZ LYS A 30 1.594 23.896 -5.172 1.00 0.00 ATOM 233 O LYS A 30 0.378 28.782 -0.543 1.00 0.00 ATOM 234 C LYS A 30 -0.701 28.961 -1.106 1.00 0.00 ATOM 235 N GLY A 31 -1.861 28.958 -0.439 1.00 0.00 ATOM 236 CA GLY A 31 -1.778 28.890 0.980 1.00 0.00 ATOM 237 O GLY A 31 -3.874 28.899 2.037 1.00 0.00 ATOM 238 C GLY A 31 -3.004 29.562 1.482 1.00 0.00 ATOM 239 N ASP A 32 -3.110 30.896 1.276 1.00 0.00 ATOM 240 CA ASP A 32 -4.238 31.619 1.787 1.00 0.00 ATOM 241 CB ASP A 32 -4.179 33.084 1.349 1.00 0.00 ATOM 242 CG ASP A 32 -3.103 33.866 2.076 1.00 0.00 ATOM 243 OD1 ASP A 32 -2.568 33.349 3.079 1.00 0.00 ATOM 244 OD2 ASP A 32 -2.796 34.997 1.644 1.00 0.00 ATOM 245 O ASP A 32 -6.361 30.637 2.013 1.00 0.00 ATOM 246 C ASP A 32 -5.462 30.982 1.249 1.00 0.00 ATOM 247 N ARG A 33 -5.527 30.767 -0.075 1.00 0.00 ATOM 248 CA ARG A 33 -6.660 30.039 -0.532 1.00 0.00 ATOM 249 CB ARG A 33 -6.934 30.345 -2.006 1.00 0.00 ATOM 250 CG ARG A 33 -7.388 31.771 -2.270 1.00 0.00 ATOM 251 CD ARG A 33 -7.701 31.988 -3.742 1.00 0.00 ATOM 252 NE ARG A 33 -8.183 33.341 -4.005 1.00 0.00 ATOM 253 CZ ARG A 33 -8.536 33.788 -5.206 1.00 0.00 ATOM 254 NH1 ARG A 33 -8.963 35.035 -5.351 1.00 0.00 ATOM 255 NH2 ARG A 33 -8.461 32.986 -6.260 1.00 0.00 ATOM 256 O ARG A 33 -5.153 28.212 -0.474 1.00 0.00 ATOM 257 C ARG A 33 -6.309 28.604 -0.339 1.00 0.00 ATOM 258 N LEU A 34 -7.319 27.784 -0.010 1.00 0.00 ATOM 259 CA LEU A 34 -7.155 26.372 0.158 1.00 0.00 ATOM 260 CB LEU A 34 -6.197 25.815 -0.896 1.00 0.00 ATOM 261 CG LEU A 34 -6.631 25.967 -2.356 1.00 0.00 ATOM 262 CD1 LEU A 34 -5.548 25.460 -3.295 1.00 0.00 ATOM 263 CD2 LEU A 34 -7.902 25.176 -2.624 1.00 0.00 ATOM 264 O LEU A 34 -6.669 24.794 1.824 1.00 0.00 ATOM 265 C LEU A 34 -6.601 25.976 1.487 1.00 0.00 ATOM 266 N ALA A 35 -6.104 26.908 2.325 1.00 0.00 ATOM 267 CA ALA A 35 -5.570 26.379 3.547 1.00 0.00 ATOM 268 CB ALA A 35 -4.540 25.300 3.252 1.00 0.00 ATOM 269 O ALA A 35 -5.147 28.640 4.201 1.00 0.00 ATOM 270 C ALA A 35 -4.908 27.444 4.351 1.00 0.00 ATOM 271 N PHE A 36 -4.098 26.960 5.312 1.00 0.00 ATOM 272 CA PHE A 36 -3.289 27.767 6.171 1.00 0.00 ATOM 273 CB PHE A 36 -4.165 28.559 7.144 1.00 0.00 ATOM 274 CG PHE A 36 -5.031 27.697 8.018 1.00 0.00 ATOM 275 CD1 PHE A 36 -4.563 27.230 9.235 1.00 0.00 ATOM 276 CD2 PHE A 36 -6.312 27.354 7.625 1.00 0.00 ATOM 277 CE1 PHE A 36 -5.360 26.438 10.039 1.00 0.00 ATOM 278 CE2 PHE A 36 -7.109 26.561 8.430 1.00 0.00 ATOM 279 CZ PHE A 36 -6.638 26.104 9.632 1.00 0.00 ATOM 280 O PHE A 36 -2.646 25.611 6.818 1.00 0.00 ATOM 281 C PHE A 36 -2.404 26.815 6.907 1.00 0.00 ATOM 282 N PRO A 37 -1.374 27.221 7.615 1.00 0.00 ATOM 283 CA PRO A 37 -0.855 28.574 7.633 1.00 0.00 ATOM 284 CB PRO A 37 -0.613 28.858 9.117 1.00 0.00 ATOM 285 CG PRO A 37 -0.120 27.563 9.669 1.00 0.00 ATOM 286 CD PRO A 37 -0.894 26.486 8.961 1.00 0.00 ATOM 287 O PRO A 37 0.841 27.578 6.328 1.00 0.00 ATOM 288 C PRO A 37 0.419 28.621 6.824 1.00 0.00 ATOM 289 N ILE A 38 1.043 29.818 6.707 1.00 0.00 ATOM 290 CA ILE A 38 2.303 30.094 6.047 1.00 0.00 ATOM 291 CB ILE A 38 2.579 31.607 5.967 1.00 0.00 ATOM 292 CG1 ILE A 38 1.511 32.300 5.118 1.00 0.00 ATOM 293 CG2 ILE A 38 3.939 31.868 5.338 1.00 0.00 ATOM 294 CD1 ILE A 38 1.446 31.800 3.692 1.00 0.00 ATOM 295 O ILE A 38 4.371 28.928 6.203 1.00 0.00 ATOM 296 C ILE A 38 3.433 29.455 6.798 1.00 0.00 ATOM 297 N LYS A 39 3.362 29.492 8.141 1.00 0.00 ATOM 298 CA LYS A 39 4.417 29.022 8.990 1.00 0.00 ATOM 299 CB LYS A 39 4.105 29.334 10.455 1.00 0.00 ATOM 300 CG LYS A 39 4.177 30.812 10.804 1.00 0.00 ATOM 301 CD LYS A 39 3.852 31.050 12.269 1.00 0.00 ATOM 302 CE LYS A 39 3.924 32.528 12.618 1.00 0.00 ATOM 303 NZ LYS A 39 3.580 32.779 14.045 1.00 0.00 ATOM 304 O LYS A 39 5.634 26.982 9.059 1.00 0.00 ATOM 305 C LYS A 39 4.565 27.538 8.829 1.00 0.00 ATOM 306 N ASP A 40 3.487 26.817 8.494 1.00 0.00 ATOM 307 CA ASP A 40 3.684 25.409 8.306 1.00 0.00 ATOM 308 CB ASP A 40 2.343 24.704 8.096 1.00 0.00 ATOM 309 CG ASP A 40 2.462 23.194 8.163 1.00 0.00 ATOM 310 OD1 ASP A 40 2.892 22.678 9.216 1.00 0.00 ATOM 311 OD2 ASP A 40 2.125 22.527 7.162 1.00 0.00 ATOM 312 O ASP A 40 5.329 24.221 7.108 1.00 0.00 ATOM 313 C ASP A 40 4.544 25.167 7.107 1.00 0.00 ATOM 314 N GLY A 41 4.421 25.997 6.049 1.00 0.00 ATOM 315 CA GLY A 41 5.213 25.726 4.883 1.00 0.00 ATOM 316 O GLY A 41 7.419 24.867 5.012 1.00 0.00 ATOM 317 C GLY A 41 6.648 25.782 5.295 1.00 0.00 ATOM 318 N ILE A 42 7.039 26.868 5.988 1.00 0.00 ATOM 319 CA ILE A 42 8.351 26.956 6.560 1.00 0.00 ATOM 320 CB ILE A 42 9.247 27.928 5.770 1.00 0.00 ATOM 321 CG1 ILE A 42 9.401 27.454 4.323 1.00 0.00 ATOM 322 CG2 ILE A 42 10.629 28.009 6.400 1.00 0.00 ATOM 323 CD1 ILE A 42 10.120 28.442 3.430 1.00 0.00 ATOM 324 O ILE A 42 7.421 28.487 8.092 1.00 0.00 ATOM 325 C ILE A 42 8.082 27.456 7.957 1.00 0.00 ATOM 326 N PRO A 43 8.472 26.823 9.043 1.00 0.00 ATOM 327 CA PRO A 43 9.197 25.578 9.112 1.00 0.00 ATOM 328 CB PRO A 43 9.642 25.489 10.573 1.00 0.00 ATOM 329 CG PRO A 43 8.627 26.285 11.322 1.00 0.00 ATOM 330 CD PRO A 43 8.234 27.419 10.416 1.00 0.00 ATOM 331 O PRO A 43 7.207 24.320 8.936 1.00 0.00 ATOM 332 C PRO A 43 8.424 24.353 8.757 1.00 0.00 ATOM 333 N MET A 44 9.149 23.337 8.251 1.00 0.00 ATOM 334 CA MET A 44 8.618 22.076 7.823 1.00 0.00 ATOM 335 CB MET A 44 7.193 22.247 7.293 1.00 0.00 ATOM 336 CG MET A 44 6.531 20.948 6.863 1.00 0.00 ATOM 337 SD MET A 44 4.847 21.190 6.265 1.00 0.00 ATOM 338 CE MET A 44 5.158 21.987 4.691 1.00 0.00 ATOM 339 O MET A 44 10.293 20.678 6.871 1.00 0.00 ATOM 340 C MET A 44 9.575 21.671 6.759 1.00 0.00 ATOM 341 N MET A 45 9.591 22.479 5.680 1.00 0.00 ATOM 342 CA MET A 45 10.481 22.266 4.585 1.00 0.00 ATOM 343 CB MET A 45 10.234 23.300 3.485 1.00 0.00 ATOM 344 CG MET A 45 8.912 23.128 2.756 1.00 0.00 ATOM 345 SD MET A 45 8.785 21.541 1.911 1.00 0.00 ATOM 346 CE MET A 45 9.998 21.752 0.610 1.00 0.00 ATOM 347 O MET A 45 12.760 21.648 4.749 1.00 0.00 ATOM 348 C MET A 45 11.863 22.402 5.124 1.00 0.00 ATOM 349 N LEU A 46 12.073 23.370 6.037 1.00 0.00 ATOM 350 CA LEU A 46 13.380 23.500 6.604 1.00 0.00 ATOM 351 CB LEU A 46 13.423 24.671 7.587 1.00 0.00 ATOM 352 CG LEU A 46 13.313 26.071 6.980 1.00 0.00 ATOM 353 CD1 LEU A 46 13.187 27.123 8.071 1.00 0.00 ATOM 354 CD2 LEU A 46 14.544 26.395 6.148 1.00 0.00 ATOM 355 O LEU A 46 14.797 21.719 7.227 1.00 0.00 ATOM 356 C LEU A 46 13.686 22.231 7.312 1.00 0.00 ATOM 357 N GLU A 47 12.693 21.666 8.015 1.00 0.00 ATOM 358 CA GLU A 47 12.926 20.467 8.763 1.00 0.00 ATOM 359 CB GLU A 47 11.654 20.038 9.498 1.00 0.00 ATOM 360 CG GLU A 47 11.272 20.943 10.657 1.00 0.00 ATOM 361 CD GLU A 47 9.945 20.561 11.282 1.00 0.00 ATOM 362 OE1 GLU A 47 9.289 19.635 10.762 1.00 0.00 ATOM 363 OE2 GLU A 47 9.562 21.188 12.292 1.00 0.00 ATOM 364 O GLU A 47 14.257 18.634 8.053 1.00 0.00 ATOM 365 C GLU A 47 13.338 19.408 7.790 1.00 0.00 ATOM 366 N SER A 48 12.680 19.356 6.616 1.00 0.00 ATOM 367 CA SER A 48 13.044 18.369 5.642 1.00 0.00 ATOM 368 CB SER A 48 12.183 18.513 4.386 1.00 0.00 ATOM 369 OG SER A 48 10.827 18.202 4.658 1.00 0.00 ATOM 370 O SER A 48 15.289 17.655 5.393 1.00 0.00 ATOM 371 C SER A 48 14.486 18.581 5.298 1.00 0.00 ATOM 372 N GLU A 49 14.863 19.811 4.887 1.00 0.00 ATOM 373 CA GLU A 49 16.251 20.045 4.594 1.00 0.00 ATOM 374 CB GLU A 49 16.396 21.096 3.491 1.00 0.00 ATOM 375 CG GLU A 49 15.748 20.705 2.173 1.00 0.00 ATOM 376 CD GLU A 49 15.823 21.810 1.137 1.00 0.00 ATOM 377 OE1 GLU A 49 16.325 22.904 1.471 1.00 0.00 ATOM 378 OE2 GLU A 49 15.380 21.582 -0.008 1.00 0.00 ATOM 379 O GLU A 49 17.047 21.722 6.082 1.00 0.00 ATOM 380 C GLU A 49 16.863 20.526 5.864 1.00 0.00 ATOM 381 N ALA A 50 17.225 19.556 6.716 1.00 0.00 ATOM 382 CA ALA A 50 17.707 19.757 8.047 1.00 0.00 ATOM 383 CB ALA A 50 16.643 20.430 8.900 1.00 0.00 ATOM 384 O ALA A 50 19.143 17.925 8.448 1.00 0.00 ATOM 385 C ALA A 50 17.994 18.366 8.475 1.00 0.00 ATOM 386 N ARG A 51 16.936 17.665 8.938 1.00 0.00 ATOM 387 CA ARG A 51 17.072 16.267 9.207 1.00 0.00 ATOM 388 CB ARG A 51 15.875 15.757 10.013 1.00 0.00 ATOM 389 CG ARG A 51 15.995 14.307 10.452 1.00 0.00 ATOM 390 CD ARG A 51 14.757 13.856 11.209 1.00 0.00 ATOM 391 NE ARG A 51 14.939 12.543 11.823 1.00 0.00 ATOM 392 CZ ARG A 51 14.020 11.928 12.560 1.00 0.00 ATOM 393 NH1 ARG A 51 14.274 10.735 13.078 1.00 0.00 ATOM 394 NH2 ARG A 51 12.848 12.509 12.778 1.00 0.00 ATOM 395 O ARG A 51 16.176 15.024 7.377 1.00 0.00 ATOM 396 C ARG A 51 17.133 15.626 7.862 1.00 0.00 ATOM 397 N GLU A 52 18.321 15.765 7.259 1.00 0.00 ATOM 398 CA GLU A 52 18.756 15.399 5.950 1.00 0.00 ATOM 399 CB GLU A 52 17.801 15.957 4.893 1.00 0.00 ATOM 400 CG GLU A 52 17.758 17.475 4.834 1.00 0.00 ATOM 401 CD GLU A 52 16.774 17.990 3.802 1.00 0.00 ATOM 402 OE1 GLU A 52 15.574 17.662 3.910 1.00 0.00 ATOM 403 OE2 GLU A 52 17.203 18.723 2.886 1.00 0.00 ATOM 404 O GLU A 52 20.633 16.262 7.067 1.00 0.00 ATOM 405 C GLU A 52 20.094 16.056 5.982 1.00 0.00 ATOM 406 N LEU A 53 20.708 16.402 4.841 1.00 0.00 ATOM 407 CA LEU A 53 21.932 17.087 5.098 1.00 0.00 ATOM 408 CB LEU A 53 23.104 16.354 4.443 1.00 0.00 ATOM 409 CG LEU A 53 23.375 14.931 4.937 1.00 0.00 ATOM 410 CD1 LEU A 53 24.471 14.275 4.112 1.00 0.00 ATOM 411 CD2 LEU A 53 23.818 14.943 6.392 1.00 0.00 ATOM 412 O LEU A 53 21.984 18.671 3.330 1.00 0.00 ATOM 413 C LEU A 53 21.832 18.470 4.533 1.00 0.00 ATOM 414 N ALA A 54 21.563 19.456 5.414 1.00 0.00 ATOM 415 CA ALA A 54 21.561 20.851 5.060 1.00 0.00 ATOM 416 CB ALA A 54 20.223 21.242 4.452 1.00 0.00 ATOM 417 O ALA A 54 21.097 21.305 7.337 1.00 0.00 ATOM 418 C ALA A 54 21.807 21.547 6.361 1.00 0.00 ATOM 419 N PRO A 55 22.799 22.386 6.431 1.00 0.00 ATOM 420 CA PRO A 55 23.047 23.027 7.692 1.00 0.00 ATOM 421 CB PRO A 55 24.322 23.838 7.451 1.00 0.00 ATOM 422 CG PRO A 55 25.057 23.074 6.401 1.00 0.00 ATOM 423 CD PRO A 55 24.015 22.579 5.438 1.00 0.00 ATOM 424 O PRO A 55 21.734 23.751 9.489 1.00 0.00 ATOM 425 C PRO A 55 22.078 23.963 8.327 1.00 0.00 ATOM 426 N GLU A 56 21.599 24.990 7.606 1.00 0.00 ATOM 427 CA GLU A 56 20.768 25.969 8.245 1.00 0.00 ATOM 428 CB GLU A 56 21.480 26.564 9.462 1.00 0.00 ATOM 429 CG GLU A 56 20.646 27.571 10.238 1.00 0.00 ATOM 430 CD GLU A 56 21.352 28.078 11.479 1.00 0.00 ATOM 431 OE1 GLU A 56 22.491 27.635 11.738 1.00 0.00 ATOM 432 OE2 GLU A 56 20.767 28.919 12.194 1.00 0.00 ATOM 433 O GLU A 56 19.441 27.112 6.644 1.00 0.00 ATOM 434 C GLU A 56 20.530 26.996 7.202 1.00 0.00 ATOM 435 N GLU A 57 21.584 27.771 6.907 1.00 0.00 ATOM 436 CA GLU A 57 21.493 28.785 5.909 1.00 0.00 ATOM 437 CB GLU A 57 22.817 29.543 5.794 1.00 0.00 ATOM 438 CG GLU A 57 23.124 30.440 6.982 1.00 0.00 ATOM 439 CD GLU A 57 24.496 31.078 6.891 1.00 0.00 ATOM 440 OE1 GLU A 57 25.236 30.762 5.935 1.00 0.00 ATOM 441 OE2 GLU A 57 24.832 31.894 7.774 1.00 0.00 ATOM 442 O GLU A 57 20.352 28.593 3.836 1.00 0.00 ATOM 443 C GLU A 57 21.176 28.114 4.614 1.00 0.00 ATOM 444 N GLU A 58 21.801 26.952 4.370 1.00 0.00 ATOM 445 CA GLU A 58 21.611 26.280 3.122 1.00 0.00 ATOM 446 CB GLU A 58 22.448 25.001 3.069 1.00 0.00 ATOM 447 CG GLU A 58 22.356 24.252 1.750 1.00 0.00 ATOM 448 CD GLU A 58 23.242 23.023 1.714 1.00 0.00 ATOM 449 OE1 GLU A 58 23.944 22.767 2.715 1.00 0.00 ATOM 450 OE2 GLU A 58 23.235 22.315 0.685 1.00 0.00 ATOM 451 O GLU A 58 19.597 26.106 1.894 1.00 0.00 ATOM 452 C GLU A 58 20.168 25.925 2.967 1.00 0.00 ATOM 453 N VAL A 59 19.525 25.409 4.033 1.00 0.00 ATOM 454 CA VAL A 59 18.146 25.046 3.879 1.00 0.00 ATOM 455 CB VAL A 59 17.607 24.333 5.133 1.00 0.00 ATOM 456 CG1 VAL A 59 16.103 24.128 5.024 1.00 0.00 ATOM 457 CG2 VAL A 59 18.267 22.972 5.297 1.00 0.00 ATOM 458 O VAL A 59 16.417 26.283 2.827 1.00 0.00 ATOM 459 C VAL A 59 17.335 26.282 3.647 1.00 0.00 ATOM 460 N LYS A 60 17.666 27.378 4.358 1.00 0.00 ATOM 461 CA LYS A 60 16.902 28.585 4.227 1.00 0.00 ATOM 462 CB LYS A 60 17.434 29.661 5.175 1.00 0.00 ATOM 463 CG LYS A 60 17.159 29.385 6.645 1.00 0.00 ATOM 464 CD LYS A 60 17.711 30.492 7.527 1.00 0.00 ATOM 465 CE LYS A 60 17.458 30.204 8.998 1.00 0.00 ATOM 466 NZ LYS A 60 18.023 31.264 9.877 1.00 0.00 ATOM 467 O LYS A 60 16.079 29.542 2.217 1.00 0.00 ATOM 468 C LYS A 60 17.032 29.039 2.812 1.00 0.00 ATOM 469 N LEU A 61 18.223 28.835 2.225 1.00 0.00 ATOM 470 CA LEU A 61 18.473 29.268 0.884 1.00 0.00 ATOM 471 CB LEU A 61 19.895 28.897 0.457 1.00 0.00 ATOM 472 CG LEU A 61 21.029 29.659 1.144 1.00 0.00 ATOM 473 CD1 LEU A 61 22.380 29.070 0.765 1.00 0.00 ATOM 474 CD2 LEU A 61 21.018 31.124 0.735 1.00 0.00 ATOM 475 O LEU A 61 16.891 29.202 -0.879 1.00 0.00 ATOM 476 C LEU A 61 17.472 28.578 0.007 1.00 0.00 ATOM 477 N GLU A 62 17.236 27.269 0.241 1.00 0.00 ATOM 478 CA GLU A 62 16.285 26.560 -0.567 1.00 0.00 ATOM 479 CB GLU A 62 16.260 25.078 -0.189 1.00 0.00 ATOM 480 CG GLU A 62 17.483 24.300 -0.648 1.00 0.00 ATOM 481 CD GLU A 62 17.652 24.316 -2.155 1.00 0.00 ATOM 482 OE1 GLU A 62 16.686 23.965 -2.865 1.00 0.00 ATOM 483 OE2 GLU A 62 18.750 24.681 -2.625 1.00 0.00 ATOM 484 O GLU A 62 14.234 27.480 -1.315 1.00 0.00 ATOM 485 C GLU A 62 14.924 27.137 -0.356 1.00 0.00 ATOM 486 N HIS A 63 14.508 27.294 0.916 1.00 0.00 ATOM 487 CA HIS A 63 13.180 27.782 1.123 1.00 0.00 ATOM 488 CB HIS A 63 12.617 27.260 2.447 1.00 0.00 ATOM 489 CG HIS A 63 12.511 25.768 2.511 1.00 0.00 ATOM 490 CD2 HIS A 63 13.199 24.708 3.233 1.00 0.00 ATOM 491 ND1 HIS A 63 11.591 25.055 1.772 1.00 0.00 ATOM 492 CE1 HIS A 63 11.736 23.745 2.040 1.00 0.00 ATOM 493 NE2 HIS A 63 12.699 23.529 2.916 1.00 0.00 ATOM 494 O HIS A 63 13.043 29.911 2.162 1.00 0.00 ATOM 495 C HIS A 63 13.278 29.259 1.147 1.00 0.00 ATOM 496 N HIS A 64 13.636 29.868 -0.001 1.00 0.00 ATOM 497 CA HIS A 64 13.628 31.292 -0.154 1.00 0.00 ATOM 498 CB HIS A 64 14.798 31.743 -1.030 1.00 0.00 ATOM 499 CG HIS A 64 14.997 33.227 -1.055 1.00 0.00 ATOM 500 CD2 HIS A 64 15.742 34.188 -0.255 1.00 0.00 ATOM 501 ND1 HIS A 64 14.407 34.041 -1.997 1.00 0.00 ATOM 502 CE1 HIS A 64 14.770 35.315 -1.764 1.00 0.00 ATOM 503 NE2 HIS A 64 15.571 35.411 -0.720 1.00 0.00 ATOM 504 O HIS A 64 11.825 30.690 -1.563 1.00 0.00 ATOM 505 C HIS A 64 12.297 31.536 -0.802 1.00 0.00 ATOM 506 N HIS A 65 11.628 32.668 -0.477 1.00 0.00 ATOM 507 CA HIS A 65 10.359 32.979 -1.073 1.00 0.00 ATOM 508 CB HIS A 65 9.664 34.101 -0.299 1.00 0.00 ATOM 509 CG HIS A 65 9.265 33.717 1.092 1.00 0.00 ATOM 510 CD2 HIS A 65 9.231 32.480 1.859 1.00 0.00 ATOM 511 ND1 HIS A 65 8.792 34.630 2.010 1.00 0.00 ATOM 512 CE1 HIS A 65 8.520 33.992 3.162 1.00 0.00 ATOM 513 NE2 HIS A 65 8.781 32.702 3.079 1.00 0.00 ATOM 514 O HIS A 65 11.635 34.112 -2.716 1.00 0.00 ATOM 515 C HIS A 65 10.643 33.415 -2.489 1.00 0.00 ATOM 516 N HIS A 66 9.789 32.960 -3.447 1.00 0.00 ATOM 517 CA HIS A 66 9.764 33.183 -4.885 1.00 0.00 ATOM 518 CB HIS A 66 9.165 34.554 -5.204 1.00 0.00 ATOM 519 CG HIS A 66 9.979 35.703 -4.695 1.00 0.00 ATOM 520 CD2 HIS A 66 10.977 36.599 -5.261 1.00 0.00 ATOM 521 ND1 HIS A 66 9.893 36.160 -3.398 1.00 0.00 ATOM 522 CE1 HIS A 66 10.739 37.193 -3.241 1.00 0.00 ATOM 523 NE2 HIS A 66 11.392 37.463 -4.355 1.00 0.00 ATOM 524 O HIS A 66 12.147 33.566 -5.120 1.00 0.00 ATOM 525 C HIS A 66 11.094 33.160 -5.609 1.00 0.00 ATOM 526 N HIS A 67 11.094 32.686 -6.873 1.00 0.00 ATOM 527 CA HIS A 67 12.342 32.640 -7.595 1.00 0.00 ATOM 528 CB HIS A 67 12.131 32.055 -8.993 1.00 0.00 ATOM 529 CG HIS A 67 13.384 31.971 -9.808 1.00 0.00 ATOM 530 CD2 HIS A 67 13.894 32.635 -10.999 1.00 0.00 ATOM 531 ND1 HIS A 67 14.414 31.109 -9.503 1.00 0.00 ATOM 532 CE1 HIS A 67 15.396 31.261 -10.409 1.00 0.00 ATOM 533 NE2 HIS A 67 15.091 32.175 -11.310 1.00 0.00 ATOM 534 O HIS A 67 12.292 34.906 -8.359 1.00 0.00 ATOM 535 C HIS A 67 12.890 34.040 -7.721 1.00 0.00 ATOM 536 N HIS A 68 14.054 34.289 -7.076 1.00 0.00 ATOM 537 CA HIS A 68 14.675 35.584 -7.136 1.00 0.00 ATOM 538 CB HIS A 68 15.233 35.975 -5.766 1.00 0.00 ATOM 539 CG HIS A 68 15.647 37.410 -5.669 1.00 0.00 ATOM 540 CD2 HIS A 68 15.795 38.514 -6.607 1.00 0.00 ATOM 541 ND1 HIS A 68 16.010 38.002 -4.479 1.00 0.00 ATOM 542 CE1 HIS A 68 16.328 39.288 -4.708 1.00 0.00 ATOM 543 NE2 HIS A 68 16.201 39.602 -5.983 1.00 0.00 ATOM 544 O HIS A 68 16.958 35.134 -7.787 1.00 0.00 ATOM 545 C HIS A 68 15.812 35.516 -8.155 1.00 0.00 ENDMDL