EXPDTA karypis.srv.2_TS4-scwrl MODEL 1 REMARK 44 REMARK 44 model 1 is called karypis.srv.2_TS4-scwrl ATOM 1 N MET A 1 26.840 42.931 25.743 1.00 0.00 ATOM 2 CA MET A 1 26.255 42.426 24.481 1.00 0.00 ATOM 3 CB MET A 1 24.909 43.100 24.207 1.00 0.00 ATOM 4 CG MET A 1 23.793 42.658 25.140 1.00 0.00 ATOM 5 SD MET A 1 22.203 43.398 24.721 1.00 0.00 ATOM 6 CE MET A 1 21.152 42.679 25.981 1.00 0.00 ATOM 7 O MET A 1 28.023 43.618 23.455 1.00 0.00 ATOM 8 C MET A 1 27.186 42.722 23.354 1.00 0.00 ATOM 9 N ASP A 2 27.077 41.958 22.248 1.00 0.00 ATOM 10 CA ASP A 2 27.997 42.173 21.175 1.00 0.00 ATOM 11 CB ASP A 2 27.755 41.164 20.051 1.00 0.00 ATOM 12 CG ASP A 2 28.216 39.766 20.414 1.00 0.00 ATOM 13 OD1 ASP A 2 28.932 39.621 21.427 1.00 0.00 ATOM 14 OD2 ASP A 2 27.862 38.815 19.685 1.00 0.00 ATOM 15 O ASP A 2 28.750 44.279 20.415 1.00 0.00 ATOM 16 C ASP A 2 27.791 43.553 20.662 1.00 0.00 ATOM 17 N ALA A 3 26.526 43.967 20.482 1.00 0.00 ATOM 18 CA ALA A 3 26.363 45.315 20.048 1.00 0.00 ATOM 19 CB ALA A 3 26.508 45.407 18.537 1.00 0.00 ATOM 20 O ALA A 3 24.039 45.012 20.441 1.00 0.00 ATOM 21 C ALA A 3 25.003 45.774 20.449 1.00 0.00 ATOM 22 N LYS A 4 24.919 47.053 20.848 1.00 0.00 ATOM 23 CA LYS A 4 23.674 47.686 21.153 1.00 0.00 ATOM 24 CB LYS A 4 23.911 49.074 21.751 1.00 0.00 ATOM 25 CG LYS A 4 24.502 49.054 23.151 1.00 0.00 ATOM 26 CD LYS A 4 24.716 50.463 23.681 1.00 0.00 ATOM 27 CE LYS A 4 25.307 50.443 25.081 1.00 0.00 ATOM 28 NZ LYS A 4 25.548 51.817 25.601 1.00 0.00 ATOM 29 O LYS A 4 21.752 47.658 19.732 1.00 0.00 ATOM 30 C LYS A 4 22.973 47.766 19.836 1.00 0.00 ATOM 31 N PHE A 5 23.794 47.942 18.789 1.00 0.00 ATOM 32 CA PHE A 5 23.426 48.066 17.409 1.00 0.00 ATOM 33 CB PHE A 5 24.655 48.375 16.552 1.00 0.00 ATOM 34 CG PHE A 5 24.336 48.650 15.111 1.00 0.00 ATOM 35 CD1 PHE A 5 23.754 49.847 14.731 1.00 0.00 ATOM 36 CD2 PHE A 5 24.617 47.711 14.133 1.00 0.00 ATOM 37 CE1 PHE A 5 23.460 50.099 13.405 1.00 0.00 ATOM 38 CE2 PHE A 5 24.324 47.963 12.807 1.00 0.00 ATOM 39 CZ PHE A 5 23.747 49.151 12.441 1.00 0.00 ATOM 40 O PHE A 5 21.891 46.774 16.141 1.00 0.00 ATOM 41 C PHE A 5 22.818 46.780 16.950 1.00 0.00 ATOM 42 N LEU A 6 23.321 45.649 17.477 1.00 0.00 ATOM 43 CA LEU A 6 22.888 44.348 17.049 1.00 0.00 ATOM 44 CB LEU A 6 23.559 43.258 17.887 1.00 0.00 ATOM 45 CG LEU A 6 23.202 41.813 17.530 1.00 0.00 ATOM 46 CD1 LEU A 6 23.616 41.495 16.101 1.00 0.00 ATOM 47 CD2 LEU A 6 23.912 40.839 18.458 1.00 0.00 ATOM 48 O LEU A 6 20.726 43.679 16.392 1.00 0.00 ATOM 49 C LEU A 6 21.413 44.273 17.219 1.00 0.00 ATOM 50 N GLU A 7 20.907 44.891 18.301 1.00 0.00 ATOM 51 CA GLU A 7 19.531 44.801 18.688 1.00 0.00 ATOM 52 CB GLU A 7 19.219 45.808 19.797 1.00 0.00 ATOM 53 CG GLU A 7 19.878 45.488 21.129 1.00 0.00 ATOM 54 CD GLU A 7 19.592 46.536 22.187 1.00 0.00 ATOM 55 OE1 GLU A 7 18.902 47.527 21.870 1.00 0.00 ATOM 56 OE2 GLU A 7 20.058 46.365 23.333 1.00 0.00 ATOM 57 O GLU A 7 19.067 45.590 16.486 1.00 0.00 ATOM 58 C GLU A 7 18.637 45.090 17.523 1.00 0.00 ATOM 59 N ILE A 8 17.339 44.765 17.700 1.00 0.00 ATOM 60 CA ILE A 8 16.340 44.776 16.670 1.00 0.00 ATOM 61 CB ILE A 8 15.475 43.503 16.709 1.00 0.00 ATOM 62 CG1 ILE A 8 14.757 43.387 18.056 1.00 0.00 ATOM 63 CG2 ILE A 8 16.338 42.266 16.515 1.00 0.00 ATOM 64 CD1 ILE A 8 13.707 42.298 18.096 1.00 0.00 ATOM 65 O ILE A 8 15.879 47.044 17.210 1.00 0.00 ATOM 66 C ILE A 8 15.438 45.957 16.842 1.00 0.00 ATOM 67 N LEU A 9 14.143 45.767 16.514 1.00 0.00 ATOM 68 CA LEU A 9 13.173 46.821 16.512 1.00 0.00 ATOM 69 CB LEU A 9 11.762 46.250 16.358 1.00 0.00 ATOM 70 CG LEU A 9 10.627 47.270 16.242 1.00 0.00 ATOM 71 CD1 LEU A 9 10.769 48.089 14.969 1.00 0.00 ATOM 72 CD2 LEU A 9 9.277 46.570 16.209 1.00 0.00 ATOM 73 O LEU A 9 13.144 47.021 18.878 1.00 0.00 ATOM 74 C LEU A 9 13.244 47.577 17.786 1.00 0.00 ATOM 75 N VAL A 10 13.427 48.900 17.644 1.00 0.00 ATOM 76 CA VAL A 10 13.420 49.780 18.764 1.00 0.00 ATOM 77 CB VAL A 10 14.808 50.403 19.001 1.00 0.00 ATOM 78 CG1 VAL A 10 14.763 51.375 20.170 1.00 0.00 ATOM 79 CG2 VAL A 10 15.831 49.322 19.314 1.00 0.00 ATOM 80 O VAL A 10 12.372 51.301 17.284 1.00 0.00 ATOM 81 C VAL A 10 12.418 50.834 18.422 1.00 0.00 ATOM 82 N CYS A 11 11.548 51.216 19.378 1.00 0.00 ATOM 83 CA CYS A 11 10.658 52.281 19.028 1.00 0.00 ATOM 84 CB CYS A 11 9.206 51.870 19.280 1.00 0.00 ATOM 85 SG CYS A 11 7.982 53.098 18.766 1.00 0.00 ATOM 86 O CYS A 11 11.981 53.320 20.695 1.00 0.00 ATOM 87 C CYS A 11 11.049 53.425 19.900 1.00 0.00 ATOM 88 N PRO A 12 10.388 54.531 19.767 1.00 0.00 ATOM 89 CA PRO A 12 10.732 55.683 20.551 1.00 0.00 ATOM 90 CB PRO A 12 10.032 56.840 19.835 1.00 0.00 ATOM 91 CG PRO A 12 8.801 56.230 19.254 1.00 0.00 ATOM 92 CD PRO A 12 9.190 54.847 18.812 1.00 0.00 ATOM 93 O PRO A 12 9.700 54.302 22.114 1.00 0.00 ATOM 94 C PRO A 12 10.199 55.406 21.905 1.00 0.00 ATOM 95 N LEU A 13 10.364 56.323 22.873 1.00 0.00 ATOM 96 CA LEU A 13 9.593 56.058 24.043 1.00 0.00 ATOM 97 CB LEU A 13 10.033 56.968 25.192 1.00 0.00 ATOM 98 CG LEU A 13 9.379 56.708 26.551 1.00 0.00 ATOM 99 CD1 LEU A 13 9.678 55.296 27.030 1.00 0.00 ATOM 100 CD2 LEU A 13 9.900 57.685 27.593 1.00 0.00 ATOM 101 O LEU A 13 7.769 57.503 23.548 1.00 0.00 ATOM 102 C LEU A 13 8.218 56.358 23.551 1.00 0.00 ATOM 103 N CYS A 14 7.524 55.297 23.103 1.00 0.00 ATOM 104 CA CYS A 14 6.276 55.408 22.424 1.00 0.00 ATOM 105 CB CYS A 14 5.968 54.121 21.656 1.00 0.00 ATOM 106 SG CYS A 14 7.114 53.766 20.304 1.00 0.00 ATOM 107 O CYS A 14 5.217 55.117 24.522 1.00 0.00 ATOM 108 C CYS A 14 5.200 55.650 23.415 1.00 0.00 ATOM 109 N LYS A 15 4.236 56.501 23.028 1.00 0.00 ATOM 110 CA LYS A 15 3.120 56.774 23.872 1.00 0.00 ATOM 111 CB LYS A 15 3.168 58.219 24.373 1.00 0.00 ATOM 112 CG LYS A 15 4.344 58.520 25.288 1.00 0.00 ATOM 113 CD LYS A 15 4.304 59.956 25.784 1.00 0.00 ATOM 114 CE LYS A 15 5.496 60.266 26.675 1.00 0.00 ATOM 115 NZ LYS A 15 5.475 61.673 27.161 1.00 0.00 ATOM 116 O LYS A 15 1.915 56.690 21.827 1.00 0.00 ATOM 117 C LYS A 15 1.898 56.550 23.049 1.00 0.00 ATOM 118 N GLY A 16 0.798 56.175 23.720 1.00 0.00 ATOM 119 CA GLY A 16 -0.438 55.916 23.051 1.00 0.00 ATOM 120 O GLY A 16 0.028 53.658 22.451 1.00 0.00 ATOM 121 C GLY A 16 -0.646 54.444 23.115 1.00 0.00 ATOM 122 N PRO A 17 -1.606 54.084 23.912 1.00 0.00 ATOM 123 CA PRO A 17 -1.911 52.702 24.161 1.00 0.00 ATOM 124 CB PRO A 17 -3.216 52.749 24.958 1.00 0.00 ATOM 125 CG PRO A 17 -3.148 54.035 25.711 1.00 0.00 ATOM 126 CD PRO A 17 -2.562 55.043 24.763 1.00 0.00 ATOM 127 O PRO A 17 -1.529 50.862 22.745 1.00 0.00 ATOM 128 C PRO A 17 -2.078 51.955 22.882 1.00 0.00 ATOM 129 N LEU A 18 -2.826 52.522 21.928 1.00 0.00 ATOM 130 CA LEU A 18 -3.039 51.828 20.699 1.00 0.00 ATOM 131 CB LEU A 18 -4.068 52.565 19.839 1.00 0.00 ATOM 132 CG LEU A 18 -5.509 52.560 20.353 1.00 0.00 ATOM 133 CD1 LEU A 18 -6.385 53.471 19.506 1.00 0.00 ATOM 134 CD2 LEU A 18 -6.093 51.157 20.302 1.00 0.00 ATOM 135 O LEU A 18 -1.450 50.725 19.336 1.00 0.00 ATOM 136 C LEU A 18 -1.750 51.745 19.955 1.00 0.00 ATOM 137 N VAL A 19 -0.930 52.812 20.011 1.00 0.00 ATOM 138 CA VAL A 19 0.232 52.785 19.179 1.00 0.00 ATOM 139 CB VAL A 19 0.558 54.182 18.619 1.00 0.00 ATOM 140 CG1 VAL A 19 1.815 54.133 17.764 1.00 0.00 ATOM 141 CG2 VAL A 19 -0.589 54.692 17.760 1.00 0.00 ATOM 142 O VAL A 19 1.914 52.936 20.879 1.00 0.00 ATOM 143 C VAL A 19 1.438 52.314 19.931 1.00 0.00 ATOM 144 N PHE A 20 1.940 51.137 19.530 1.00 0.00 ATOM 145 CA PHE A 20 3.192 50.620 19.993 1.00 0.00 ATOM 146 CB PHE A 20 4.318 51.618 19.719 1.00 0.00 ATOM 147 CG PHE A 20 4.633 51.792 18.260 1.00 0.00 ATOM 148 CD1 PHE A 20 4.282 50.818 17.341 1.00 0.00 ATOM 149 CD2 PHE A 20 5.279 52.929 17.807 1.00 0.00 ATOM 150 CE1 PHE A 20 4.571 50.978 15.999 1.00 0.00 ATOM 151 CE2 PHE A 20 5.568 53.088 16.465 1.00 0.00 ATOM 152 CZ PHE A 20 5.217 52.119 15.562 1.00 0.00 ATOM 153 O PHE A 20 4.143 50.009 22.060 1.00 0.00 ATOM 154 C PHE A 20 3.129 50.364 21.461 1.00 0.00 ATOM 155 N ASP A 21 1.957 50.514 22.100 1.00 0.00 ATOM 156 CA ASP A 21 1.973 50.246 23.506 1.00 0.00 ATOM 157 CB ASP A 21 0.683 50.743 24.161 1.00 0.00 ATOM 158 CG ASP A 21 0.700 50.593 25.669 1.00 0.00 ATOM 159 OD1 ASP A 21 1.567 51.215 26.319 1.00 0.00 ATOM 160 OD2 ASP A 21 -0.154 49.854 26.202 1.00 0.00 ATOM 161 O ASP A 21 2.784 48.376 24.688 1.00 0.00 ATOM 162 C ASP A 21 2.094 48.787 23.757 1.00 0.00 ATOM 163 N LYS A 22 1.436 47.952 22.934 1.00 0.00 ATOM 164 CA LYS A 22 1.576 46.552 23.186 1.00 0.00 ATOM 165 CB LYS A 22 0.712 45.744 22.215 1.00 0.00 ATOM 166 CG LYS A 22 -0.782 45.865 22.466 1.00 0.00 ATOM 167 CD LYS A 22 -1.577 45.037 21.470 1.00 0.00 ATOM 168 CE LYS A 22 -3.073 45.177 21.705 1.00 0.00 ATOM 169 NZ LYS A 22 -3.866 44.398 20.715 1.00 0.00 ATOM 170 O LYS A 22 3.591 45.467 23.780 1.00 0.00 ATOM 171 C LYS A 22 3.011 46.210 22.998 1.00 0.00 ATOM 172 N SER A 23 3.619 46.762 21.937 1.00 0.00 ATOM 173 CA SER A 23 4.987 46.460 21.652 1.00 0.00 ATOM 174 CB SER A 23 5.375 46.986 20.269 1.00 0.00 ATOM 175 OG SER A 23 5.349 48.403 20.236 1.00 0.00 ATOM 176 O SER A 23 7.001 46.767 22.862 1.00 0.00 ATOM 177 C SER A 23 5.836 47.113 22.692 1.00 0.00 ATOM 178 N LYS A 24 5.257 48.075 23.429 1.00 0.00 ATOM 179 CA LYS A 24 5.983 48.870 24.376 1.00 0.00 ATOM 180 CB LYS A 24 5.051 49.871 25.062 1.00 0.00 ATOM 181 CG LYS A 24 5.746 50.786 26.056 1.00 0.00 ATOM 182 CD LYS A 24 4.778 51.798 26.646 1.00 0.00 ATOM 183 CE LYS A 24 5.462 52.682 27.676 1.00 0.00 ATOM 184 NZ LYS A 24 4.519 53.663 28.280 1.00 0.00 ATOM 185 O LYS A 24 7.799 48.113 25.692 1.00 0.00 ATOM 186 C LYS A 24 6.602 48.004 25.430 1.00 0.00 ATOM 187 N ASP A 25 5.829 47.093 26.052 1.00 0.00 ATOM 188 CA ASP A 25 6.454 46.323 27.087 1.00 0.00 ATOM 189 CB ASP A 25 5.419 45.460 27.812 1.00 0.00 ATOM 190 CG ASP A 25 4.514 46.272 28.717 1.00 0.00 ATOM 191 OD1 ASP A 25 4.835 47.451 28.974 1.00 0.00 ATOM 192 OD2 ASP A 25 3.484 45.729 29.169 1.00 0.00 ATOM 193 O ASP A 25 8.538 45.195 27.026 1.00 0.00 ATOM 194 C ASP A 25 7.482 45.451 26.449 1.00 0.00 ATOM 195 N GLU A 26 7.200 44.981 25.221 1.00 0.00 ATOM 196 CA GLU A 26 8.083 44.059 24.566 1.00 0.00 ATOM 197 CB GLU A 26 7.525 43.662 23.198 1.00 0.00 ATOM 198 CG GLU A 26 6.296 42.769 23.264 1.00 0.00 ATOM 199 CD GLU A 26 5.690 42.510 21.899 1.00 0.00 ATOM 200 OE1 GLU A 26 6.182 43.094 20.910 1.00 0.00 ATOM 201 OE2 GLU A 26 4.724 41.722 21.818 1.00 0.00 ATOM 202 O GLU A 26 10.449 44.054 24.703 1.00 0.00 ATOM 203 C GLU A 26 9.438 44.664 24.358 1.00 0.00 ATOM 204 N LEU A 27 9.510 45.891 23.807 1.00 0.00 ATOM 205 CA LEU A 27 10.811 46.428 23.519 1.00 0.00 ATOM 206 CB LEU A 27 10.983 46.638 22.013 1.00 0.00 ATOM 207 CG LEU A 27 10.849 45.393 21.135 1.00 0.00 ATOM 208 CD1 LEU A 27 10.919 45.763 19.662 1.00 0.00 ATOM 209 CD2 LEU A 27 11.967 44.404 21.430 1.00 0.00 ATOM 210 O LEU A 27 9.967 48.462 24.401 1.00 0.00 ATOM 211 C LEU A 27 10.946 47.740 24.226 1.00 0.00 ATOM 212 N ILE A 28 12.173 48.079 24.677 1.00 0.00 ATOM 213 CA ILE A 28 12.343 49.298 25.414 1.00 0.00 ATOM 214 CB ILE A 28 12.843 49.027 26.845 1.00 0.00 ATOM 215 CG1 ILE A 28 11.827 48.180 27.614 1.00 0.00 ATOM 216 CG2 ILE A 28 13.046 50.335 27.595 1.00 0.00 ATOM 217 CD1 ILE A 28 12.344 47.657 28.936 1.00 0.00 ATOM 218 O ILE A 28 14.369 49.691 24.242 1.00 0.00 ATOM 219 C ILE A 28 13.340 50.165 24.724 1.00 0.00 ATOM 220 N CYS A 29 13.043 51.478 24.653 1.00 0.00 ATOM 221 CA CYS A 29 13.971 52.402 24.079 1.00 0.00 ATOM 222 CB CYS A 29 13.229 53.522 23.348 1.00 0.00 ATOM 223 SG CYS A 29 14.300 54.650 22.425 1.00 0.00 ATOM 224 O CYS A 29 14.547 54.065 25.672 1.00 0.00 ATOM 225 C CYS A 29 14.749 52.935 25.229 1.00 0.00 ATOM 226 N LYS A 30 15.693 52.116 25.717 1.00 0.00 ATOM 227 CA LYS A 30 16.478 52.466 26.858 1.00 0.00 ATOM 228 CB LYS A 30 17.358 51.289 27.284 1.00 0.00 ATOM 229 CG LYS A 30 16.584 50.099 27.826 1.00 0.00 ATOM 230 CD LYS A 30 17.518 48.974 28.239 1.00 0.00 ATOM 231 CE LYS A 30 16.747 47.805 28.831 1.00 0.00 ATOM 232 NZ LYS A 30 17.654 46.714 29.283 1.00 0.00 ATOM 233 O LYS A 30 17.410 53.972 25.309 1.00 0.00 ATOM 234 C LYS A 30 17.327 53.619 26.484 1.00 0.00 ATOM 235 N GLY A 31 17.935 54.262 27.503 1.00 0.00 ATOM 236 CA GLY A 31 18.766 55.396 27.244 1.00 0.00 ATOM 237 O GLY A 31 20.641 54.128 26.526 1.00 0.00 ATOM 238 C GLY A 31 19.776 54.956 26.245 1.00 0.00 ATOM 239 N ASP A 32 19.663 55.512 25.027 1.00 0.00 ATOM 240 CA ASP A 32 20.569 55.160 23.982 1.00 0.00 ATOM 241 CB ASP A 32 19.802 54.732 22.729 1.00 0.00 ATOM 242 CG ASP A 32 19.064 53.421 22.917 1.00 0.00 ATOM 243 OD1 ASP A 32 19.699 52.440 23.357 1.00 0.00 ATOM 244 OD2 ASP A 32 17.851 53.375 22.624 1.00 0.00 ATOM 245 O ASP A 32 21.218 57.051 22.681 1.00 0.00 ATOM 246 C ASP A 32 21.402 56.362 23.682 1.00 0.00 ATOM 247 N ARG A 33 22.371 56.643 24.565 1.00 0.00 ATOM 248 CA ARG A 33 23.197 57.781 24.335 1.00 0.00 ATOM 249 CB ARG A 33 24.192 57.962 25.483 1.00 0.00 ATOM 250 CG ARG A 33 23.558 58.417 26.788 1.00 0.00 ATOM 251 CD ARG A 33 24.593 58.532 27.895 1.00 0.00 ATOM 252 NE ARG A 33 23.992 58.921 29.168 1.00 0.00 ATOM 253 CZ ARG A 33 24.666 59.038 30.307 1.00 0.00 ATOM 254 NH1 ARG A 33 24.035 59.398 31.417 1.00 0.00 ATOM 255 NH2 ARG A 33 25.969 58.794 30.335 1.00 0.00 ATOM 256 O ARG A 33 23.965 58.398 22.185 1.00 0.00 ATOM 257 C ARG A 33 23.919 57.532 23.058 1.00 0.00 ATOM 258 N LEU A 34 24.475 56.318 22.895 1.00 0.00 ATOM 259 CA LEU A 34 25.115 56.034 21.651 1.00 0.00 ATOM 260 CB LEU A 34 26.187 54.958 21.833 1.00 0.00 ATOM 261 CG LEU A 34 27.340 55.303 22.779 1.00 0.00 ATOM 262 CD1 LEU A 34 28.290 54.124 22.921 1.00 0.00 ATOM 263 CD2 LEU A 34 28.131 56.490 22.251 1.00 0.00 ATOM 264 O LEU A 34 23.719 54.374 20.684 1.00 0.00 ATOM 265 C LEU A 34 24.039 55.560 20.746 1.00 0.00 ATOM 266 N ALA A 35 23.433 56.514 20.025 1.00 0.00 ATOM 267 CA ALA A 35 22.412 56.185 19.089 1.00 0.00 ATOM 268 CB ALA A 35 21.119 56.904 19.441 1.00 0.00 ATOM 269 O ALA A 35 23.751 57.583 17.742 1.00 0.00 ATOM 270 C ALA A 35 22.962 56.642 17.793 1.00 0.00 ATOM 271 N PHE A 36 22.581 55.972 16.700 1.00 0.00 ATOM 272 CA PHE A 36 23.116 56.408 15.454 1.00 0.00 ATOM 273 CB PHE A 36 23.255 55.229 14.489 1.00 0.00 ATOM 274 CG PHE A 36 24.321 54.246 14.882 1.00 0.00 ATOM 275 CD1 PHE A 36 24.000 53.104 15.595 1.00 0.00 ATOM 276 CD2 PHE A 36 25.644 54.464 14.539 1.00 0.00 ATOM 277 CE1 PHE A 36 24.981 52.200 15.957 1.00 0.00 ATOM 278 CE2 PHE A 36 26.624 53.559 14.901 1.00 0.00 ATOM 279 CZ PHE A 36 26.297 52.431 15.607 1.00 0.00 ATOM 280 O PHE A 36 21.046 57.542 15.457 1.00 0.00 ATOM 281 C PHE A 36 22.151 57.407 14.934 1.00 0.00 ATOM 282 N PRO A 37 22.547 58.148 13.946 1.00 0.00 ATOM 283 CA PRO A 37 21.679 59.174 13.468 1.00 0.00 ATOM 284 CB PRO A 37 22.471 59.831 12.336 1.00 0.00 ATOM 285 CG PRO A 37 23.899 59.552 12.668 1.00 0.00 ATOM 286 CD PRO A 37 23.926 58.171 13.261 1.00 0.00 ATOM 287 O PRO A 37 20.467 57.518 12.335 1.00 0.00 ATOM 288 C PRO A 37 20.419 58.558 12.989 1.00 0.00 ATOM 289 N ILE A 38 19.279 59.185 13.317 1.00 0.00 ATOM 290 CA ILE A 38 18.037 58.594 12.944 1.00 0.00 ATOM 291 CB ILE A 38 17.251 58.108 14.176 1.00 0.00 ATOM 292 CG1 ILE A 38 16.957 59.278 15.117 1.00 0.00 ATOM 293 CG2 ILE A 38 18.050 57.063 14.940 1.00 0.00 ATOM 294 CD1 ILE A 38 15.676 60.015 14.794 1.00 0.00 ATOM 295 O ILE A 38 17.498 60.811 12.286 1.00 0.00 ATOM 296 C ILE A 38 17.227 59.613 12.225 1.00 0.00 ATOM 297 N LYS A 39 16.207 59.116 11.504 1.00 0.00 ATOM 298 CA LYS A 39 15.292 59.908 10.741 1.00 0.00 ATOM 299 CB LYS A 39 14.375 59.012 9.905 1.00 0.00 ATOM 300 CG LYS A 39 15.089 58.256 8.797 1.00 0.00 ATOM 301 CD LYS A 39 14.120 57.395 8.003 1.00 0.00 ATOM 302 CE LYS A 39 14.824 56.680 6.861 1.00 0.00 ATOM 303 NZ LYS A 39 13.878 55.871 6.045 1.00 0.00 ATOM 304 O LYS A 39 14.575 60.506 12.915 1.00 0.00 ATOM 305 C LYS A 39 14.485 60.706 11.705 1.00 0.00 ATOM 306 N ASP A 40 13.682 61.655 11.186 1.00 0.00 ATOM 307 CA ASP A 40 12.874 62.451 12.059 1.00 0.00 ATOM 308 CB ASP A 40 12.024 63.436 11.253 1.00 0.00 ATOM 309 CG ASP A 40 12.842 64.574 10.675 1.00 0.00 ATOM 310 OD1 ASP A 40 14.024 64.708 11.055 1.00 0.00 ATOM 311 OD2 ASP A 40 12.301 65.331 9.842 1.00 0.00 ATOM 312 O ASP A 40 11.466 60.549 12.222 1.00 0.00 ATOM 313 C ASP A 40 12.011 61.489 12.800 1.00 0.00 ATOM 314 N GLY A 41 11.905 61.689 14.124 1.00 0.00 ATOM 315 CA GLY A 41 11.153 60.797 14.948 1.00 0.00 ATOM 316 O GLY A 41 12.848 59.179 14.649 1.00 0.00 ATOM 317 C GLY A 41 12.171 59.836 15.440 1.00 0.00 ATOM 318 N ILE A 42 12.320 59.714 16.765 1.00 0.00 ATOM 319 CA ILE A 42 13.385 58.867 17.183 1.00 0.00 ATOM 320 CB ILE A 42 14.622 59.682 17.604 1.00 0.00 ATOM 321 CG1 ILE A 42 15.792 58.749 17.922 1.00 0.00 ATOM 322 CG2 ILE A 42 14.317 60.512 18.841 1.00 0.00 ATOM 323 CD1 ILE A 42 17.120 59.460 18.062 1.00 0.00 ATOM 324 O ILE A 42 12.225 58.500 19.222 1.00 0.00 ATOM 325 C ILE A 42 12.955 58.047 18.341 1.00 0.00 ATOM 326 N PRO A 43 13.413 56.828 18.325 1.00 0.00 ATOM 327 CA PRO A 43 14.088 56.348 17.146 1.00 0.00 ATOM 328 CB PRO A 43 15.291 55.579 17.696 1.00 0.00 ATOM 329 CG PRO A 43 14.792 54.958 18.957 1.00 0.00 ATOM 330 CD PRO A 43 13.841 55.951 19.563 1.00 0.00 ATOM 331 O PRO A 43 12.114 55.109 17.065 1.00 0.00 ATOM 332 C PRO A 43 13.095 55.483 16.435 1.00 0.00 ATOM 333 N MET A 44 13.287 55.147 15.147 1.00 0.00 ATOM 334 CA MET A 44 12.394 54.189 14.554 1.00 0.00 ATOM 335 CB MET A 44 11.289 54.900 13.771 1.00 0.00 ATOM 336 CG MET A 44 10.331 55.702 14.637 1.00 0.00 ATOM 337 SD MET A 44 9.094 56.588 13.670 1.00 0.00 ATOM 338 CE MET A 44 8.231 55.224 12.893 1.00 0.00 ATOM 339 O MET A 44 13.675 53.837 12.601 1.00 0.00 ATOM 340 C MET A 44 13.242 53.363 13.650 1.00 0.00 ATOM 341 N MET A 45 13.512 52.097 14.018 1.00 0.00 ATOM 342 CA MET A 45 14.349 51.350 13.133 1.00 0.00 ATOM 343 CB MET A 45 15.822 51.685 13.377 1.00 0.00 ATOM 344 CG MET A 45 16.328 51.290 14.755 1.00 0.00 ATOM 345 SD MET A 45 17.991 51.902 15.087 1.00 0.00 ATOM 346 CE MET A 45 17.659 53.635 15.396 1.00 0.00 ATOM 347 O MET A 45 13.849 49.427 14.439 1.00 0.00 ATOM 348 C MET A 45 14.159 49.890 13.343 1.00 0.00 ATOM 349 N LEU A 46 14.318 49.136 12.239 1.00 0.00 ATOM 350 CA LEU A 46 14.307 47.706 12.275 1.00 0.00 ATOM 351 CB LEU A 46 13.117 47.159 11.484 1.00 0.00 ATOM 352 CG LEU A 46 13.002 45.636 11.399 1.00 0.00 ATOM 353 CD1 LEU A 46 12.826 45.033 12.784 1.00 0.00 ATOM 354 CD2 LEU A 46 11.805 45.234 10.551 1.00 0.00 ATOM 355 O LEU A 46 15.801 47.449 10.462 1.00 0.00 ATOM 356 C LEU A 46 15.592 47.282 11.662 1.00 0.00 ATOM 357 N GLU A 47 16.507 46.734 12.476 1.00 0.00 ATOM 358 CA GLU A 47 17.744 46.313 11.900 1.00 0.00 ATOM 359 CB GLU A 47 18.883 47.232 12.346 1.00 0.00 ATOM 360 CG GLU A 47 18.742 48.670 11.875 1.00 0.00 ATOM 361 CD GLU A 47 19.887 49.549 12.336 1.00 0.00 ATOM 362 OE1 GLU A 47 20.786 49.036 13.036 1.00 0.00 ATOM 363 OE2 GLU A 47 19.886 50.752 11.997 1.00 0.00 ATOM 364 O GLU A 47 17.649 44.538 13.476 1.00 0.00 ATOM 365 C GLU A 47 18.004 44.920 12.362 1.00 0.00 ATOM 366 N SER A 48 18.606 44.108 11.475 1.00 0.00 ATOM 367 CA SER A 48 18.957 42.772 11.841 1.00 0.00 ATOM 368 CB SER A 48 17.944 41.777 11.271 1.00 0.00 ATOM 369 OG SER A 48 18.284 40.446 11.621 1.00 0.00 ATOM 370 O SER A 48 20.633 43.020 10.186 1.00 0.00 ATOM 371 C SER A 48 20.312 42.531 11.268 1.00 0.00 ATOM 372 N GLU A 49 21.148 41.766 11.991 1.00 0.00 ATOM 373 CA GLU A 49 22.471 41.484 11.523 1.00 0.00 ATOM 374 CB GLU A 49 22.419 40.677 10.224 1.00 0.00 ATOM 375 CG GLU A 49 21.758 39.315 10.366 1.00 0.00 ATOM 376 CD GLU A 49 21.751 38.533 9.067 1.00 0.00 ATOM 377 OE1 GLU A 49 22.209 39.081 8.042 1.00 0.00 ATOM 378 OE2 GLU A 49 21.288 37.374 9.074 1.00 0.00 ATOM 379 O GLU A 49 23.911 42.967 10.338 1.00 0.00 ATOM 380 C GLU A 49 23.147 42.798 11.285 1.00 0.00 ATOM 381 N ALA A 50 22.882 43.774 12.174 1.00 0.00 ATOM 382 CA ALA A 50 23.513 45.057 12.081 1.00 0.00 ATOM 383 CB ALA A 50 25.022 44.916 12.211 1.00 0.00 ATOM 384 O ALA A 50 24.012 46.490 10.266 1.00 0.00 ATOM 385 C ALA A 50 23.211 45.701 10.763 1.00 0.00 ATOM 386 N ARG A 51 22.042 45.408 10.159 1.00 0.00 ATOM 387 CA ARG A 51 21.725 46.051 8.914 1.00 0.00 ATOM 388 CB ARG A 51 21.718 45.033 7.772 1.00 0.00 ATOM 389 CG ARG A 51 23.069 44.390 7.505 1.00 0.00 ATOM 390 CD ARG A 51 22.977 43.350 6.400 1.00 0.00 ATOM 391 NE ARG A 51 24.273 42.737 6.116 1.00 0.00 ATOM 392 CZ ARG A 51 24.464 41.776 5.219 1.00 0.00 ATOM 393 NH1 ARG A 51 25.678 41.279 5.028 1.00 0.00 ATOM 394 NH2 ARG A 51 23.440 41.314 4.514 1.00 0.00 ATOM 395 O ARG A 51 19.498 46.137 9.736 1.00 0.00 ATOM 396 C ARG A 51 20.369 46.670 9.049 1.00 0.00 ATOM 397 N GLU A 52 20.156 47.827 8.385 1.00 0.00 ATOM 398 CA GLU A 52 18.905 48.524 8.506 1.00 0.00 ATOM 399 CB GLU A 52 19.079 50.003 8.154 1.00 0.00 ATOM 400 CG GLU A 52 17.827 50.841 8.356 1.00 0.00 ATOM 401 CD GLU A 52 18.032 52.295 7.979 1.00 0.00 ATOM 402 OE1 GLU A 52 19.160 52.651 7.578 1.00 0.00 ATOM 403 OE2 GLU A 52 17.065 53.078 8.086 1.00 0.00 ATOM 404 O GLU A 52 18.012 48.041 6.352 1.00 0.00 ATOM 405 C GLU A 52 17.914 47.908 7.570 1.00 0.00 ATOM 406 N LEU A 53 16.939 47.169 8.128 1.00 0.00 ATOM 407 CA LEU A 53 15.925 46.569 7.314 1.00 0.00 ATOM 408 CB LEU A 53 15.070 45.610 8.144 1.00 0.00 ATOM 409 CG LEU A 53 15.754 44.324 8.613 1.00 0.00 ATOM 410 CD1 LEU A 53 14.859 43.560 9.577 1.00 0.00 ATOM 411 CD2 LEU A 53 16.063 43.418 7.431 1.00 0.00 ATOM 412 O LEU A 53 14.784 47.642 5.543 1.00 0.00 ATOM 413 C LEU A 53 15.043 47.635 6.744 1.00 0.00 ATOM 414 N ALA A 54 14.567 48.578 7.586 1.00 0.00 ATOM 415 CA ALA A 54 13.710 49.605 7.065 1.00 0.00 ATOM 416 CB ALA A 54 12.543 48.989 6.309 1.00 0.00 ATOM 417 O ALA A 54 13.446 50.136 9.378 1.00 0.00 ATOM 418 C ALA A 54 13.189 50.418 8.209 1.00 0.00 ATOM 419 N PRO A 55 12.487 51.461 7.856 1.00 0.00 ATOM 420 CA PRO A 55 11.855 52.323 8.821 1.00 0.00 ATOM 421 CB PRO A 55 11.563 53.604 8.037 1.00 0.00 ATOM 422 CG PRO A 55 11.334 53.142 6.637 1.00 0.00 ATOM 423 CD PRO A 55 12.295 52.009 6.411 1.00 0.00 ATOM 424 O PRO A 55 10.123 50.738 8.686 1.00 0.00 ATOM 425 C PRO A 55 10.602 51.672 9.328 1.00 0.00 ATOM 426 N GLU A 56 10.054 52.143 10.469 1.00 0.00 ATOM 427 CA GLU A 56 8.903 51.495 11.030 1.00 0.00 ATOM 428 CB GLU A 56 9.071 51.318 12.540 1.00 0.00 ATOM 429 CG GLU A 56 7.950 50.532 13.201 1.00 0.00 ATOM 430 CD GLU A 56 8.189 50.310 14.682 1.00 0.00 ATOM 431 OE1 GLU A 56 9.257 50.724 15.180 1.00 0.00 ATOM 432 OE2 GLU A 56 7.308 49.723 15.344 1.00 0.00 ATOM 433 O GLU A 56 7.676 53.503 10.635 1.00 0.00 ATOM 434 C GLU A 56 7.661 52.285 10.798 1.00 0.00 ATOM 435 N GLU A 57 6.538 51.546 10.772 1.00 0.00 ATOM 436 CA GLU A 57 5.209 52.069 10.712 1.00 0.00 ATOM 437 CB GLU A 57 4.600 51.828 9.329 1.00 0.00 ATOM 438 CG GLU A 57 5.311 52.559 8.202 1.00 0.00 ATOM 439 CD GLU A 57 4.665 52.318 6.852 1.00 0.00 ATOM 440 OE1 GLU A 57 3.682 51.550 6.793 1.00 0.00 ATOM 441 OE2 GLU A 57 5.141 52.897 5.853 1.00 0.00 ATOM 442 O GLU A 57 4.947 50.215 12.144 1.00 0.00 ATOM 443 C GLU A 57 4.505 51.304 11.781 1.00 0.00 ATOM 444 N GLU A 58 3.408 51.845 12.341 1.00 0.00 ATOM 445 CA GLU A 58 2.772 51.112 13.398 1.00 0.00 ATOM 446 CB GLU A 58 1.581 51.896 13.952 1.00 0.00 ATOM 447 CG GLU A 58 0.883 51.220 15.121 1.00 0.00 ATOM 448 CD GLU A 58 -0.255 52.052 15.680 1.00 0.00 ATOM 449 OE1 GLU A 58 -0.485 53.166 15.165 1.00 0.00 ATOM 450 OE2 GLU A 58 -0.916 51.589 16.634 1.00 0.00 ATOM 451 O GLU A 58 2.492 48.755 13.436 1.00 0.00 ATOM 452 C GLU A 58 2.303 49.810 12.834 1.00 0.00 ATOM 453 N VAL A 59 1.706 49.846 11.632 1.00 0.00 ATOM 454 CA VAL A 59 1.200 48.648 11.030 1.00 0.00 ATOM 455 CB VAL A 59 0.499 48.942 9.691 1.00 0.00 ATOM 456 CG1 VAL A 59 0.148 47.645 8.977 1.00 0.00 ATOM 457 CG2 VAL A 59 -0.784 49.726 9.922 1.00 0.00 ATOM 458 O VAL A 59 2.250 46.517 10.985 1.00 0.00 ATOM 459 C VAL A 59 2.350 47.728 10.789 1.00 0.00 ATOM 460 N LYS A 60 3.488 48.306 10.375 1.00 0.00 ATOM 461 CA LYS A 60 4.668 47.567 10.052 1.00 0.00 ATOM 462 CB LYS A 60 5.791 48.512 9.622 1.00 0.00 ATOM 463 CG LYS A 60 7.064 47.806 9.185 1.00 0.00 ATOM 464 CD LYS A 60 8.115 48.800 8.717 1.00 0.00 ATOM 465 CE LYS A 60 9.344 48.089 8.175 1.00 0.00 ATOM 466 NZ LYS A 60 10.065 47.337 9.239 1.00 0.00 ATOM 467 O LYS A 60 5.494 45.658 11.201 1.00 0.00 ATOM 468 C LYS A 60 5.078 46.813 11.275 1.00 0.00 ATOM 469 N LEU A 61 4.943 47.457 12.446 1.00 0.00 ATOM 470 CA LEU A 61 5.429 46.880 13.660 1.00 0.00 ATOM 471 CB LEU A 61 5.195 47.830 14.836 1.00 0.00 ATOM 472 CG LEU A 61 5.652 47.334 16.209 1.00 0.00 ATOM 473 CD1 LEU A 61 7.155 47.098 16.223 1.00 0.00 ATOM 474 CD2 LEU A 61 5.322 48.356 17.287 1.00 0.00 ATOM 475 O LEU A 61 5.369 44.593 14.269 1.00 0.00 ATOM 476 C LEU A 61 4.729 45.593 13.949 1.00 0.00 ATOM 477 N GLU A 62 3.393 45.567 13.824 1.00 0.00 ATOM 478 CA GLU A 62 2.676 44.386 14.203 1.00 0.00 ATOM 479 CB GLU A 62 1.169 44.601 14.047 1.00 0.00 ATOM 480 CG GLU A 62 0.569 45.553 15.069 1.00 0.00 ATOM 481 CD GLU A 62 -0.897 45.837 14.809 1.00 0.00 ATOM 482 OE1 GLU A 62 -1.425 45.349 13.788 1.00 0.00 ATOM 483 OE2 GLU A 62 -1.518 46.549 15.627 1.00 0.00 ATOM 484 O GLU A 62 3.339 42.140 13.843 1.00 0.00 ATOM 485 C GLU A 62 3.083 43.233 13.342 1.00 0.00 ATOM 486 N HIS A 63 3.188 43.450 12.020 1.00 0.00 ATOM 487 CA HIS A 63 3.480 42.346 11.154 1.00 0.00 ATOM 488 CB HIS A 63 3.496 42.801 9.693 1.00 0.00 ATOM 489 CG HIS A 63 3.851 41.714 8.726 1.00 0.00 ATOM 490 CD2 HIS A 63 5.020 41.375 7.928 1.00 0.00 ATOM 491 ND1 HIS A 63 2.977 40.703 8.390 1.00 0.00 ATOM 492 CE1 HIS A 63 3.575 39.884 7.506 1.00 0.00 ATOM 493 NE2 HIS A 63 4.801 40.281 7.225 1.00 0.00 ATOM 494 O HIS A 63 4.953 40.547 11.606 1.00 0.00 ATOM 495 C HIS A 63 4.815 41.763 11.481 1.00 0.00 ATOM 496 N HIS A 64 5.840 42.616 11.655 1.00 0.00 ATOM 497 CA HIS A 64 7.142 42.050 11.836 1.00 0.00 ATOM 498 CB HIS A 64 8.197 42.889 11.112 1.00 0.00 ATOM 499 CG HIS A 64 7.975 42.995 9.635 1.00 0.00 ATOM 500 CD2 HIS A 64 7.474 44.020 8.731 1.00 0.00 ATOM 501 ND1 HIS A 64 8.260 41.965 8.764 1.00 0.00 ATOM 502 CE1 HIS A 64 7.958 42.355 7.513 1.00 0.00 ATOM 503 NE2 HIS A 64 7.486 43.586 7.485 1.00 0.00 ATOM 504 O HIS A 64 7.716 43.031 13.925 1.00 0.00 ATOM 505 C HIS A 64 7.475 42.008 13.288 1.00 0.00 ATOM 506 N HIS A 65 7.493 40.781 13.838 1.00 0.00 ATOM 507 CA HIS A 65 7.825 40.553 15.210 1.00 0.00 ATOM 508 CB HIS A 65 6.651 39.903 15.945 1.00 0.00 ATOM 509 CG HIS A 65 6.890 39.704 17.409 1.00 0.00 ATOM 510 CD2 HIS A 65 7.126 38.559 18.277 1.00 0.00 ATOM 511 ND1 HIS A 65 6.928 40.750 18.306 1.00 0.00 ATOM 512 CE1 HIS A 65 7.159 40.262 19.538 1.00 0.00 ATOM 513 NE2 HIS A 65 7.279 38.949 19.527 1.00 0.00 ATOM 514 O HIS A 65 10.096 40.012 15.645 1.00 0.00 ATOM 515 C HIS A 65 9.005 39.649 15.206 1.00 0.00 ATOM 516 N HIS A 66 8.802 38.430 14.684 1.00 0.00 ATOM 517 CA HIS A 66 9.849 37.461 14.653 1.00 0.00 ATOM 518 CB HIS A 66 9.341 36.142 14.066 1.00 0.00 ATOM 519 CG HIS A 66 8.417 35.393 14.975 1.00 0.00 ATOM 520 CD2 HIS A 66 7.021 34.984 14.928 1.00 0.00 ATOM 521 ND1 HIS A 66 8.816 34.895 16.196 1.00 0.00 ATOM 522 CE1 HIS A 66 7.773 34.275 16.778 1.00 0.00 ATOM 523 NE2 HIS A 66 6.693 34.325 16.022 1.00 0.00 ATOM 524 O HIS A 66 12.136 37.797 14.150 1.00 0.00 ATOM 525 C HIS A 66 10.967 37.972 13.808 1.00 0.00 ATOM 526 N HIS A 67 10.644 38.639 12.685 1.00 0.00 ATOM 527 CA HIS A 67 11.689 39.065 11.803 1.00 0.00 ATOM 528 CB HIS A 67 12.628 40.040 12.516 1.00 0.00 ATOM 529 CG HIS A 67 11.933 41.234 13.094 1.00 0.00 ATOM 530 CD2 HIS A 67 11.613 41.700 14.436 1.00 0.00 ATOM 531 ND1 HIS A 67 11.404 42.238 12.313 1.00 0.00 ATOM 532 CE1 HIS A 67 10.848 43.167 13.111 1.00 0.00 ATOM 533 NE2 HIS A 67 10.970 42.851 14.386 1.00 0.00 ATOM 534 O HIS A 67 13.598 37.790 11.183 1.00 0.00 ATOM 535 C HIS A 67 12.395 37.810 11.424 1.00 0.00 ATOM 536 N HIS A 68 11.611 36.720 11.364 1.00 0.00 ATOM 537 CA HIS A 68 12.096 35.414 11.058 1.00 0.00 ATOM 538 CB HIS A 68 11.685 34.421 12.147 1.00 0.00 ATOM 539 CG HIS A 68 12.334 34.675 13.472 1.00 0.00 ATOM 540 CD2 HIS A 68 13.497 35.419 13.933 1.00 0.00 ATOM 541 ND1 HIS A 68 11.846 34.155 14.651 1.00 0.00 ATOM 542 CE1 HIS A 68 12.635 34.554 15.665 1.00 0.00 ATOM 543 NE2 HIS A 68 13.627 35.312 15.241 1.00 0.00 ATOM 544 O HIS A 68 10.646 35.858 9.216 1.00 0.00 ATOM 545 C HIS A 68 11.467 35.047 9.723 1.00 0.00 ENDMDL