USER MOD reduce.3.24.130724 H: found=0, std=0, add=198, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 199 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 135 N ALA A 10 7.496 8.903 5.078 1.00 0.00 N ATOM 136 CA ALA A 10 7.194 10.261 5.512 1.00 0.00 C ATOM 137 C ALA A 10 6.013 10.279 6.476 1.00 0.00 C ATOM 138 O ALA A 10 6.057 10.937 7.516 1.00 0.00 O ATOM 139 CB ALA A 10 6.909 11.149 4.309 1.00 0.00 C ATOM 0 HA ALA A 10 8.066 10.650 6.038 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.685 12.160 4.648 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.782 11.170 3.657 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.055 10.753 3.759 1.00 0.00 H new ATOM 145 N VAL A 11 4.956 9.553 6.125 1.00 0.00 N ATOM 146 CA VAL A 11 3.763 9.485 6.960 1.00 0.00 C ATOM 147 C VAL A 11 4.081 8.887 8.325 1.00 0.00 C ATOM 148 O VAL A 11 3.624 9.386 9.354 1.00 0.00 O ATOM 149 CB VAL A 11 2.656 8.648 6.290 1.00 0.00 C ATOM 150 CG1 VAL A 11 1.430 8.569 7.186 1.00 0.00 C ATOM 151 CG2 VAL A 11 2.297 9.230 4.931 1.00 0.00 C ATOM 0 H VAL A 11 4.902 9.003 5.267 1.00 0.00 H new ATOM 0 HA VAL A 11 3.408 10.507 7.089 1.00 0.00 H new ATOM 0 HB VAL A 11 3.031 7.636 6.139 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.659 7.974 6.696 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.701 8.103 8.133 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.050 9.574 7.372 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.514 8.627 4.472 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.941 10.253 5.056 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.179 9.228 4.290 1.00 0.00 H new ATOM 161 N ILE A 12 4.867 7.815 8.328 1.00 0.00 N ATOM 162 CA ILE A 12 5.247 7.150 9.567 1.00 0.00 C ATOM 163 C ILE A 12 6.042 8.086 10.472 1.00 0.00 C ATOM 164 O ILE A 12 5.758 8.204 11.663 1.00 0.00 O ATOM 165 CB ILE A 12 6.083 5.886 9.294 1.00 0.00 C ATOM 166 CG1 ILE A 12 5.268 4.873 8.487 1.00 0.00 C ATOM 167 CG2 ILE A 12 6.556 5.270 10.603 1.00 0.00 C ATOM 168 CD1 ILE A 12 6.115 3.976 7.612 1.00 0.00 C ATOM 0 H ILE A 12 5.253 7.389 7.485 1.00 0.00 H new ATOM 0 HA ILE A 12 4.322 6.863 10.067 1.00 0.00 H new ATOM 0 HB ILE A 12 6.959 6.168 8.710 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.689 4.255 9.173 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.555 5.409 7.861 1.00 0.00 H new ATOM 0 HG21 ILE A 12 7.145 4.378 10.393 1.00 0.00 H new ATOM 0 HG22 ILE A 12 7.169 5.991 11.144 1.00 0.00 H new ATOM 0 HG23 ILE A 12 5.693 5.000 11.211 1.00 0.00 H new ATOM 0 HD11 ILE A 12 5.471 3.284 7.069 1.00 0.00 H new ATOM 0 HD12 ILE A 12 6.674 4.584 6.901 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.811 3.413 8.234 1.00 0.00 H new ATOM 180 N ALA A 13 7.039 8.751 9.896 1.00 0.00 N ATOM 181 CA ALA A 13 7.872 9.679 10.649 1.00 0.00 C ATOM 182 C ALA A 13 7.040 10.819 11.228 1.00 0.00 C ATOM 183 O ALA A 13 7.244 11.231 12.369 1.00 0.00 O ATOM 184 CB ALA A 13 8.981 10.230 9.764 1.00 0.00 C ATOM 0 H ALA A 13 7.289 8.664 8.911 1.00 0.00 H new ATOM 0 HA ALA A 13 8.321 9.134 11.479 1.00 0.00 H new ATOM 0 HB1 ALA A 13 9.596 10.922 10.339 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.600 9.409 9.403 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.542 10.754 8.915 1.00 0.00 H new ATOM 190 N GLY A 14 6.102 11.324 10.433 1.00 0.00 N ATOM 191 CA GLY A 14 5.254 12.412 10.884 1.00 0.00 C ATOM 192 C GLY A 14 4.340 12.001 12.021 1.00 0.00 C ATOM 193 O GLY A 14 4.080 12.785 12.932 1.00 0.00 O ATOM 0 H GLY A 14 5.914 10.999 9.485 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.878 13.245 11.207 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.652 12.769 10.049 1.00 0.00 H new ATOM 197 N GLY A 15 3.848 10.766 11.966 1.00 0.00 N ATOM 198 CA GLY A 15 2.960 10.275 13.004 1.00 0.00 C ATOM 199 C GLY A 15 3.674 10.063 14.324 1.00 0.00 C ATOM 200 O GLY A 15 3.163 10.435 15.381 1.00 0.00 O ATOM 0 H GLY A 15 4.049 10.098 11.222 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.144 10.984 13.145 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.513 9.335 12.681 1.00 0.00 H new ATOM 204 N VAL A 16 4.858 9.463 14.266 1.00 0.00 N ATOM 205 CA VAL A 16 5.643 9.202 15.466 1.00 0.00 C ATOM 206 C VAL A 16 6.123 10.502 16.103 1.00 0.00 C ATOM 207 O VAL A 16 6.064 10.667 17.321 1.00 0.00 O ATOM 208 CB VAL A 16 6.863 8.313 15.158 1.00 0.00 C ATOM 209 CG1 VAL A 16 7.712 8.935 14.059 1.00 0.00 C ATOM 210 CG2 VAL A 16 7.687 8.085 16.415 1.00 0.00 C ATOM 0 H VAL A 16 5.295 9.148 13.400 1.00 0.00 H new ATOM 0 HA VAL A 16 4.989 8.679 16.163 1.00 0.00 H new ATOM 0 HB VAL A 16 6.506 7.345 14.805 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.569 8.294 13.854 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.114 9.041 13.154 1.00 0.00 H new ATOM 0 HG13 VAL A 16 8.061 9.916 14.380 1.00 0.00 H new ATOM 0 HG21 VAL A 16 8.545 7.455 16.179 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.036 9.043 16.800 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.072 7.593 17.169 1.00 0.00 H new ATOM 220 N ILE A 17 6.598 11.422 15.270 1.00 0.00 N ATOM 221 CA ILE A 17 7.087 12.708 15.751 1.00 0.00 C ATOM 222 C ILE A 17 5.960 13.527 16.372 1.00 0.00 C ATOM 223 O ILE A 17 6.118 14.105 17.446 1.00 0.00 O ATOM 224 CB ILE A 17 7.735 13.524 14.617 1.00 0.00 C ATOM 225 CG1 ILE A 17 9.027 12.851 14.149 1.00 0.00 C ATOM 226 CG2 ILE A 17 8.009 14.947 15.078 1.00 0.00 C ATOM 227 CD1 ILE A 17 10.127 12.868 15.188 1.00 0.00 C ATOM 0 H ILE A 17 6.655 11.301 14.259 1.00 0.00 H new ATOM 0 HA ILE A 17 7.840 12.496 16.510 1.00 0.00 H new ATOM 0 HB ILE A 17 7.043 13.563 13.776 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.811 11.818 13.877 1.00 0.00 H new ATOM 0 HG13 ILE A 17 9.382 13.351 13.248 1.00 0.00 H new ATOM 0 HG21 ILE A 17 8.467 15.511 14.265 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.072 15.423 15.367 1.00 0.00 H new ATOM 0 HG23 ILE A 17 8.685 14.929 15.933 1.00 0.00 H new ATOM 0 HD11 ILE A 17 11.013 12.374 14.788 1.00 0.00 H new ATOM 0 HD12 ILE A 17 10.371 13.899 15.443 1.00 0.00 H new ATOM 0 HD13 ILE A 17 9.791 12.343 16.082 1.00 0.00 H new ATOM 239 N GLY A 18 4.820 13.570 15.688 1.00 0.00 N ATOM 240 CA GLY A 18 3.683 14.319 16.188 1.00 0.00 C ATOM 241 C GLY A 18 3.149 13.761 17.492 1.00 0.00 C ATOM 242 O GLY A 18 2.826 14.513 18.412 1.00 0.00 O ATOM 0 H GLY A 18 4.664 13.099 14.797 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.973 15.360 16.333 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.889 14.311 15.441 1.00 0.00 H new ATOM 246 N PHE A 19 3.055 12.438 17.573 1.00 0.00 N ATOM 247 CA PHE A 19 2.554 11.779 18.774 1.00 0.00 C ATOM 248 C PHE A 19 3.487 12.022 19.957 1.00 0.00 C ATOM 249 O PHE A 19 3.037 12.289 21.072 1.00 0.00 O ATOM 250 CB PHE A 19 2.402 10.276 18.531 1.00 0.00 C ATOM 251 CG PHE A 19 0.981 9.847 18.301 1.00 0.00 C ATOM 252 CD1 PHE A 19 0.277 10.300 17.197 1.00 0.00 C ATOM 253 CD2 PHE A 19 0.349 8.991 19.189 1.00 0.00 C ATOM 254 CE1 PHE A 19 -1.031 9.906 16.982 1.00 0.00 C ATOM 255 CE2 PHE A 19 -0.958 8.594 18.979 1.00 0.00 C ATOM 256 CZ PHE A 19 -1.649 9.053 17.875 1.00 0.00 C ATOM 0 H PHE A 19 3.319 11.801 16.821 1.00 0.00 H new ATOM 0 HA PHE A 19 1.578 12.203 19.010 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.003 9.993 17.667 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.802 9.735 19.388 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.755 10.968 16.496 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.884 8.630 20.055 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -1.569 10.265 16.117 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.439 7.925 19.678 1.00 0.00 H new ATOM 0 HZ PHE A 19 -2.671 8.745 17.710 1.00 0.00 H new ATOM 266 N LEU A 20 4.788 11.928 19.706 1.00 0.00 N ATOM 267 CA LEU A 20 5.785 12.137 20.750 1.00 0.00 C ATOM 268 C LEU A 20 5.747 13.574 21.260 1.00 0.00 C ATOM 269 O LEU A 20 5.891 13.823 22.457 1.00 0.00 O ATOM 270 CB LEU A 20 7.182 11.809 20.220 1.00 0.00 C ATOM 271 CG LEU A 20 7.901 10.642 20.898 1.00 0.00 C ATOM 272 CD1 LEU A 20 7.242 9.322 20.527 1.00 0.00 C ATOM 273 CD2 LEU A 20 9.374 10.630 20.520 1.00 0.00 C ATOM 0 H LEU A 20 5.177 11.709 18.789 1.00 0.00 H new ATOM 0 HA LEU A 20 5.551 11.470 21.580 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.103 11.591 19.155 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.804 12.699 20.318 1.00 0.00 H new ATOM 0 HG LEU A 20 7.826 10.772 21.978 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.767 8.503 21.018 1.00 0.00 H new ATOM 0 HD12 LEU A 20 6.201 9.332 20.850 1.00 0.00 H new ATOM 0 HD13 LEU A 20 7.286 9.185 19.447 1.00 0.00 H new ATOM 0 HD21 LEU A 20 9.869 9.793 21.012 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.471 10.525 19.439 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.839 11.564 20.837 1.00 0.00 H new ATOM 285 N PHE A 21 5.549 14.517 20.344 1.00 0.00 N ATOM 286 CA PHE A 21 5.490 15.929 20.701 1.00 0.00 C ATOM 287 C PHE A 21 4.241 16.230 21.524 1.00 0.00 C ATOM 288 O PHE A 21 4.297 16.963 22.511 1.00 0.00 O ATOM 289 CB PHE A 21 5.505 16.797 19.440 1.00 0.00 C ATOM 290 CG PHE A 21 6.636 17.785 19.406 1.00 0.00 C ATOM 291 CD1 PHE A 21 6.396 19.139 19.571 1.00 0.00 C ATOM 292 CD2 PHE A 21 7.940 17.358 19.208 1.00 0.00 C ATOM 293 CE1 PHE A 21 7.434 20.051 19.540 1.00 0.00 C ATOM 294 CE2 PHE A 21 8.982 18.265 19.177 1.00 0.00 C ATOM 295 CZ PHE A 21 8.729 19.613 19.342 1.00 0.00 C ATOM 0 H PHE A 21 5.427 14.328 19.349 1.00 0.00 H new ATOM 0 HA PHE A 21 6.367 16.162 21.305 1.00 0.00 H new ATOM 0 HB2 PHE A 21 5.571 16.151 18.565 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.560 17.336 19.368 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.385 19.486 19.726 1.00 0.00 H new ATOM 0 HD2 PHE A 21 8.144 16.306 19.077 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.233 21.104 19.670 1.00 0.00 H new ATOM 0 HE2 PHE A 21 9.994 17.920 19.024 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.542 20.323 19.316 1.00 0.00 H new ATOM 305 N ALA A 22 3.115 15.660 21.109 1.00 0.00 N ATOM 306 CA ALA A 22 1.852 15.866 21.808 1.00 0.00 C ATOM 307 C ALA A 22 1.919 15.324 23.232 1.00 0.00 C ATOM 308 O ALA A 22 1.471 15.977 24.175 1.00 0.00 O ATOM 309 CB ALA A 22 0.713 15.208 21.044 1.00 0.00 C ATOM 0 H ALA A 22 3.051 15.052 20.292 1.00 0.00 H new ATOM 0 HA ALA A 22 1.666 16.939 21.863 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.224 15.370 21.577 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.643 15.644 20.048 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.902 14.138 20.959 1.00 0.00 H new ATOM 315 N ILE A 23 2.478 14.128 23.380 1.00 0.00 N ATOM 316 CA ILE A 23 2.603 13.500 24.689 1.00 0.00 C ATOM 317 C ILE A 23 3.554 14.284 25.587 1.00 0.00 C ATOM 318 O ILE A 23 3.331 14.406 26.791 1.00 0.00 O ATOM 319 CB ILE A 23 3.105 12.049 24.572 1.00 0.00 C ATOM 320 CG1 ILE A 23 2.140 11.220 23.722 1.00 0.00 C ATOM 321 CG2 ILE A 23 3.267 11.431 25.953 1.00 0.00 C ATOM 322 CD1 ILE A 23 2.780 10.001 23.096 1.00 0.00 C ATOM 0 H ILE A 23 2.852 13.574 22.609 1.00 0.00 H new ATOM 0 HA ILE A 23 1.608 13.497 25.133 1.00 0.00 H new ATOM 0 HB ILE A 23 4.079 12.055 24.082 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.303 10.902 24.343 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.730 11.851 22.933 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.622 10.405 25.853 1.00 0.00 H new ATOM 0 HG22 ILE A 23 3.989 12.011 26.529 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.306 11.434 26.468 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.037 9.462 22.508 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.599 10.312 22.448 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.165 9.349 23.880 1.00 0.00 H new ATOM 334 N PHE A 24 4.617 14.817 24.991 1.00 0.00 N ATOM 335 CA PHE A 24 5.603 15.591 25.737 1.00 0.00 C ATOM 336 C PHE A 24 5.003 16.904 26.230 1.00 0.00 C ATOM 337 O PHE A 24 5.268 17.338 27.352 1.00 0.00 O ATOM 338 CB PHE A 24 6.827 15.872 24.863 1.00 0.00 C ATOM 339 CG PHE A 24 8.121 15.867 25.626 1.00 0.00 C ATOM 340 CD1 PHE A 24 8.787 14.678 25.879 1.00 0.00 C ATOM 341 CD2 PHE A 24 8.672 17.050 26.090 1.00 0.00 C ATOM 342 CE1 PHE A 24 9.978 14.669 26.580 1.00 0.00 C ATOM 343 CE2 PHE A 24 9.863 17.048 26.791 1.00 0.00 C ATOM 344 CZ PHE A 24 10.516 15.856 27.037 1.00 0.00 C ATOM 0 H PHE A 24 4.817 14.727 23.995 1.00 0.00 H new ATOM 0 HA PHE A 24 5.910 15.005 26.603 1.00 0.00 H new ATOM 0 HB2 PHE A 24 6.878 15.124 24.072 1.00 0.00 H new ATOM 0 HB3 PHE A 24 6.703 16.841 24.379 1.00 0.00 H new ATOM 0 HD1 PHE A 24 8.370 13.747 25.524 1.00 0.00 H new ATOM 0 HD2 PHE A 24 8.165 17.985 25.902 1.00 0.00 H new ATOM 0 HE1 PHE A 24 10.487 13.736 26.770 1.00 0.00 H new ATOM 0 HE2 PHE A 24 10.283 17.978 27.146 1.00 0.00 H new ATOM 0 HZ PHE A 24 11.446 15.852 27.586 1.00 0.00 H new ATOM 354 N LEU A 25 4.195 17.533 25.384 1.00 0.00 N ATOM 355 CA LEU A 25 3.558 18.798 25.732 1.00 0.00 C ATOM 356 C LEU A 25 2.542 18.605 26.853 1.00 0.00 C ATOM 357 O LEU A 25 2.476 19.403 27.789 1.00 0.00 O ATOM 358 CB LEU A 25 2.872 19.401 24.505 1.00 0.00 C ATOM 359 CG LEU A 25 3.446 20.724 23.998 1.00 0.00 C ATOM 360 CD1 LEU A 25 3.965 20.571 22.576 1.00 0.00 C ATOM 361 CD2 LEU A 25 2.396 21.824 24.069 1.00 0.00 C ATOM 0 H LEU A 25 3.965 17.188 24.452 1.00 0.00 H new ATOM 0 HA LEU A 25 4.331 19.482 26.081 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.917 18.674 23.694 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.818 19.551 24.740 1.00 0.00 H new ATOM 0 HG LEU A 25 4.281 21.005 24.640 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.370 21.523 22.232 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.749 19.814 22.554 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.148 20.266 21.921 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.823 22.758 23.704 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.540 21.550 23.452 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.072 21.952 25.102 1.00 0.00 H new ATOM 373 N ILE A 26 1.753 17.541 26.753 1.00 0.00 N ATOM 374 CA ILE A 26 0.743 17.241 27.761 1.00 0.00 C ATOM 375 C ILE A 26 1.386 16.922 29.106 1.00 0.00 C ATOM 376 O ILE A 26 0.952 17.417 30.147 1.00 0.00 O ATOM 377 CB ILE A 26 -0.144 16.056 27.334 1.00 0.00 C ATOM 378 CG1 ILE A 26 -0.976 16.430 26.106 1.00 0.00 C ATOM 379 CG2 ILE A 26 -1.046 15.630 28.482 1.00 0.00 C ATOM 380 CD1 ILE A 26 -2.005 17.506 26.378 1.00 0.00 C ATOM 0 H ILE A 26 1.793 16.872 25.984 1.00 0.00 H new ATOM 0 HA ILE A 26 0.122 18.131 27.860 1.00 0.00 H new ATOM 0 HB ILE A 26 0.499 15.216 27.071 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.308 16.769 25.314 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.483 15.539 25.736 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.667 14.792 28.165 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.435 15.328 29.332 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.684 16.465 28.772 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.558 17.721 25.463 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.696 17.162 27.147 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.503 18.411 26.719 1.00 0.00 H new ATOM 392 N LEU A 27 2.424 16.093 29.078 1.00 0.00 N ATOM 393 CA LEU A 27 3.130 15.709 30.295 1.00 0.00 C ATOM 394 C LEU A 27 3.768 16.924 30.961 1.00 0.00 C ATOM 395 O LEU A 27 3.734 17.063 32.185 1.00 0.00 O ATOM 396 CB LEU A 27 4.202 14.665 29.979 1.00 0.00 C ATOM 397 CG LEU A 27 3.899 13.235 30.428 1.00 0.00 C ATOM 398 CD1 LEU A 27 2.608 12.738 29.796 1.00 0.00 C ATOM 399 CD2 LEU A 27 5.056 12.310 30.079 1.00 0.00 C ATOM 0 H LEU A 27 2.795 15.674 28.225 1.00 0.00 H new ATOM 0 HA LEU A 27 2.405 15.278 30.985 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.368 14.659 28.902 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.136 14.980 30.444 1.00 0.00 H new ATOM 0 HG LEU A 27 3.773 13.234 31.511 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.409 11.719 30.128 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.783 13.384 30.096 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.705 12.754 28.710 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.823 11.297 30.406 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.214 12.316 29.001 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.961 12.654 30.580 1.00 0.00 H new ATOM 411 N LEU A 28 4.347 17.801 30.149 1.00 0.00 N ATOM 412 CA LEU A 28 4.991 19.006 30.660 1.00 0.00 C ATOM 413 C LEU A 28 3.970 19.940 31.301 1.00 0.00 C ATOM 414 O LEU A 28 4.227 20.534 32.349 1.00 0.00 O ATOM 415 CB LEU A 28 5.725 19.733 29.531 1.00 0.00 C ATOM 416 CG LEU A 28 6.849 20.677 29.960 1.00 0.00 C ATOM 417 CD1 LEU A 28 8.112 20.402 29.158 1.00 0.00 C ATOM 418 CD2 LEU A 28 6.418 22.127 29.800 1.00 0.00 C ATOM 0 H LEU A 28 4.384 17.701 29.135 1.00 0.00 H new ATOM 0 HA LEU A 28 5.711 18.708 31.422 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.143 18.986 28.856 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.995 20.306 28.960 1.00 0.00 H new ATOM 0 HG LEU A 28 7.066 20.498 31.013 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.901 21.083 29.477 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.432 19.373 29.324 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.910 20.552 28.098 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.230 22.784 30.110 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.173 22.321 28.756 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.541 22.316 30.420 1.00 0.00 H new ATOM 430 N LEU A 29 2.809 20.063 30.667 1.00 0.00 N ATOM 431 CA LEU A 29 1.746 20.923 31.177 1.00 0.00 C ATOM 432 C LEU A 29 1.218 20.404 32.510 1.00 0.00 C ATOM 433 O LEU A 29 1.096 21.157 33.477 1.00 0.00 O ATOM 434 CB LEU A 29 0.604 21.011 30.163 1.00 0.00 C ATOM 435 CG LEU A 29 0.421 22.363 29.473 1.00 0.00 C ATOM 436 CD1 LEU A 29 -0.415 22.211 28.212 1.00 0.00 C ATOM 437 CD2 LEU A 29 -0.221 23.364 30.423 1.00 0.00 C ATOM 0 H LEU A 29 2.580 19.578 29.799 1.00 0.00 H new ATOM 0 HA LEU A 29 2.162 21.918 31.335 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.767 20.254 29.396 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.326 20.756 30.671 1.00 0.00 H new ATOM 0 HG LEU A 29 1.404 22.740 29.189 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.534 23.184 27.735 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.084 21.528 27.524 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.395 21.812 28.471 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.344 24.321 29.915 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.196 22.993 30.738 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.416 23.496 31.297 1.00 0.00 H new ATOM 449 N VAL A 30 0.909 19.112 32.556 1.00 0.00 N ATOM 450 CA VAL A 30 0.397 18.491 33.772 1.00 0.00 C ATOM 451 C VAL A 30 1.446 18.504 34.879 1.00 0.00 C ATOM 452 O VAL A 30 1.116 18.612 36.060 1.00 0.00 O ATOM 453 CB VAL A 30 -0.046 17.038 33.517 1.00 0.00 C ATOM 454 CG1 VAL A 30 1.137 16.187 33.084 1.00 0.00 C ATOM 455 CG2 VAL A 30 -0.705 16.457 34.758 1.00 0.00 C ATOM 0 H VAL A 30 1.004 18.475 31.765 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.467 19.076 34.087 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.778 17.036 32.710 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.804 15.164 32.909 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.561 16.593 32.166 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.895 16.193 33.867 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.012 15.430 34.560 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.003 16.471 35.586 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.580 17.053 35.018 1.00 0.00 H new ATOM 465 N TYR A 31 2.711 18.394 34.488 1.00 0.00 N ATOM 466 CA TYR A 31 3.809 18.390 35.447 1.00 0.00 C ATOM 467 C TYR A 31 4.020 19.781 36.039 1.00 0.00 C ATOM 468 O TYR A 31 4.200 19.933 37.247 1.00 0.00 O ATOM 469 CB TYR A 31 5.098 17.908 34.777 1.00 0.00 C ATOM 470 CG TYR A 31 6.287 17.870 35.710 1.00 0.00 C ATOM 471 CD1 TYR A 31 6.187 17.294 36.971 1.00 0.00 C ATOM 472 CD2 TYR A 31 7.510 18.409 35.331 1.00 0.00 C ATOM 473 CE1 TYR A 31 7.271 17.257 37.827 1.00 0.00 C ATOM 474 CE2 TYR A 31 8.599 18.375 36.180 1.00 0.00 C ATOM 475 CZ TYR A 31 8.475 17.798 37.426 1.00 0.00 C ATOM 476 OH TYR A 31 9.557 17.763 38.275 1.00 0.00 O ATOM 0 H TYR A 31 3.001 18.306 33.514 1.00 0.00 H new ATOM 0 HA TYR A 31 3.550 17.706 36.255 1.00 0.00 H new ATOM 0 HB2 TYR A 31 4.935 16.910 34.369 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.327 18.563 33.936 1.00 0.00 H new ATOM 0 HD1 TYR A 31 5.246 16.868 37.287 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.611 18.862 34.356 1.00 0.00 H new ATOM 0 HE1 TYR A 31 7.176 16.807 38.804 1.00 0.00 H new ATOM 0 HE2 TYR A 31 9.543 18.798 35.869 1.00 0.00 H new ATOM 0 HH TYR A 31 10.328 18.185 37.840 1.00 0.00 H new ATOM 486 N ARG A 32 3.996 20.793 35.178 1.00 0.00 N ATOM 487 CA ARG A 32 4.184 22.171 35.613 1.00 0.00 C ATOM 488 C ARG A 32 3.066 22.601 36.559 1.00 0.00 C ATOM 489 O ARG A 32 3.309 23.282 37.554 1.00 0.00 O ATOM 490 CB ARG A 32 4.233 23.108 34.405 1.00 0.00 C ATOM 491 CG ARG A 32 5.033 24.377 34.650 1.00 0.00 C ATOM 492 CD ARG A 32 4.521 25.531 33.802 1.00 0.00 C ATOM 493 NE ARG A 32 5.178 25.586 32.499 1.00 0.00 N ATOM 494 CZ ARG A 32 4.738 26.323 31.485 1.00 0.00 C ATOM 495 NH1 ARG A 32 3.648 27.064 31.624 1.00 0.00 N ATOM 496 NH2 ARG A 32 5.391 26.320 30.330 1.00 0.00 N ATOM 0 H ARG A 32 3.848 20.684 34.175 1.00 0.00 H new ATOM 0 HA ARG A 32 5.132 22.230 36.148 1.00 0.00 H new ATOM 0 HB2 ARG A 32 4.665 22.574 33.559 1.00 0.00 H new ATOM 0 HB3 ARG A 32 3.215 23.379 34.125 1.00 0.00 H new ATOM 0 HG2 ARG A 32 4.976 24.646 35.705 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.084 24.196 34.423 1.00 0.00 H new ATOM 0 HD2 ARG A 32 3.445 25.428 33.661 1.00 0.00 H new ATOM 0 HD3 ARG A 32 4.685 26.470 34.331 1.00 0.00 H new ATOM 0 HE ARG A 32 6.021 25.028 32.360 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.145 27.069 32.511 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.312 27.629 30.844 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.231 25.752 30.220 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.053 26.886 29.552 1.00 0.00 H new