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 7.272 9.191 5.071 1.00 0.00 N ATOM 136 CA ALA A 10 6.878 10.549 5.423 1.00 0.00 C ATOM 137 C ALA A 10 5.722 10.546 6.418 1.00 0.00 C ATOM 138 O ALA A 10 5.774 11.218 7.448 1.00 0.00 O ATOM 139 CB ALA A 10 6.500 11.330 4.174 1.00 0.00 C ATOM 0 HA ALA A 10 7.730 11.036 5.898 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.208 12.343 4.453 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.354 11.372 3.498 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.666 10.836 3.675 1.00 0.00 H new ATOM 145 N VAL A 11 4.679 9.785 6.102 1.00 0.00 N ATOM 146 CA VAL A 11 3.509 9.694 6.968 1.00 0.00 C ATOM 147 C VAL A 11 3.855 9.015 8.289 1.00 0.00 C ATOM 148 O VAL A 11 3.411 9.444 9.354 1.00 0.00 O ATOM 149 CB VAL A 11 2.366 8.917 6.288 1.00 0.00 C ATOM 150 CG1 VAL A 11 2.835 7.530 5.875 1.00 0.00 C ATOM 151 CG2 VAL A 11 1.160 8.828 7.211 1.00 0.00 C ATOM 0 H VAL A 11 4.620 9.223 5.253 1.00 0.00 H new ATOM 0 HA VAL A 11 3.179 10.714 7.162 1.00 0.00 H new ATOM 0 HB VAL A 11 2.068 9.456 5.389 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.014 6.996 5.396 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.666 7.620 5.175 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.161 6.979 6.757 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.362 8.276 6.715 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.442 8.312 8.129 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.811 9.832 7.452 1.00 0.00 H new ATOM 161 N ILE A 12 4.651 7.954 8.212 1.00 0.00 N ATOM 162 CA ILE A 12 5.058 7.216 9.401 1.00 0.00 C ATOM 163 C ILE A 12 5.893 8.090 10.331 1.00 0.00 C ATOM 164 O ILE A 12 5.639 8.155 11.533 1.00 0.00 O ATOM 165 CB ILE A 12 5.866 5.958 9.034 1.00 0.00 C ATOM 166 CG1 ILE A 12 4.959 4.917 8.374 1.00 0.00 C ATOM 167 CG2 ILE A 12 6.533 5.377 10.272 1.00 0.00 C ATOM 168 CD1 ILE A 12 5.711 3.901 7.543 1.00 0.00 C ATOM 0 H ILE A 12 5.027 7.586 7.338 1.00 0.00 H new ATOM 0 HA ILE A 12 4.144 6.914 9.913 1.00 0.00 H new ATOM 0 HB ILE A 12 6.643 6.238 8.323 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.395 4.396 9.147 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.234 5.428 7.740 1.00 0.00 H new ATOM 0 HG21 ILE A 12 7.100 4.488 9.996 1.00 0.00 H new ATOM 0 HG22 ILE A 12 7.206 6.118 10.704 1.00 0.00 H new ATOM 0 HG23 ILE A 12 5.771 5.108 11.004 1.00 0.00 H new ATOM 0 HD11 ILE A 12 5.005 3.195 7.106 1.00 0.00 H new ATOM 0 HD12 ILE A 12 6.254 4.412 6.747 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.417 3.364 8.176 1.00 0.00 H new ATOM 180 N ALA A 13 6.890 8.762 9.764 1.00 0.00 N ATOM 181 CA ALA A 13 7.761 9.636 10.541 1.00 0.00 C ATOM 182 C ALA A 13 6.970 10.772 11.180 1.00 0.00 C ATOM 183 O ALA A 13 7.190 11.119 12.340 1.00 0.00 O ATOM 184 CB ALA A 13 8.871 10.192 9.662 1.00 0.00 C ATOM 0 H ALA A 13 7.114 8.718 8.770 1.00 0.00 H new ATOM 0 HA ALA A 13 8.208 9.045 11.341 1.00 0.00 H new ATOM 0 HB1 ALA A 13 9.513 10.843 10.255 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.461 9.370 9.258 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.435 10.763 8.842 1.00 0.00 H new ATOM 190 N GLY A 14 6.048 11.349 10.415 1.00 0.00 N ATOM 191 CA GLY A 14 5.238 12.440 10.924 1.00 0.00 C ATOM 192 C GLY A 14 4.304 12.001 12.034 1.00 0.00 C ATOM 193 O GLY A 14 4.025 12.764 12.959 1.00 0.00 O ATOM 0 H GLY A 14 5.848 11.080 9.452 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.891 13.231 11.294 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.653 12.865 10.108 1.00 0.00 H new ATOM 197 N GLY A 15 3.817 10.767 11.943 1.00 0.00 N ATOM 198 CA GLY A 15 2.912 10.250 12.953 1.00 0.00 C ATOM 199 C GLY A 15 3.612 9.965 14.267 1.00 0.00 C ATOM 200 O GLY A 15 3.096 10.290 15.336 1.00 0.00 O ATOM 0 H GLY A 15 4.033 10.116 11.188 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.110 10.969 13.120 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.448 9.335 12.586 1.00 0.00 H new ATOM 204 N VAL A 16 4.791 9.356 14.188 1.00 0.00 N ATOM 205 CA VAL A 16 5.562 9.027 15.381 1.00 0.00 C ATOM 206 C VAL A 16 6.048 10.289 16.086 1.00 0.00 C ATOM 207 O VAL A 16 5.933 10.413 17.306 1.00 0.00 O ATOM 208 CB VAL A 16 6.777 8.144 15.038 1.00 0.00 C ATOM 209 CG1 VAL A 16 6.324 6.751 14.627 1.00 0.00 C ATOM 210 CG2 VAL A 16 7.611 8.788 13.941 1.00 0.00 C ATOM 0 H VAL A 16 5.233 9.081 13.311 1.00 0.00 H new ATOM 0 HA VAL A 16 4.897 8.475 16.046 1.00 0.00 H new ATOM 0 HB VAL A 16 7.400 8.050 15.928 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.195 6.141 14.388 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.772 6.291 15.447 1.00 0.00 H new ATOM 0 HG13 VAL A 16 5.679 6.822 13.751 1.00 0.00 H new ATOM 0 HG21 VAL A 16 8.465 8.151 13.712 1.00 0.00 H new ATOM 0 HG22 VAL A 16 7.001 8.913 13.046 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.966 9.762 14.278 1.00 0.00 H new ATOM 220 N ILE A 17 6.592 11.221 15.311 1.00 0.00 N ATOM 221 CA ILE A 17 7.094 12.474 15.861 1.00 0.00 C ATOM 222 C ILE A 17 5.959 13.319 16.430 1.00 0.00 C ATOM 223 O ILE A 17 6.105 13.950 17.475 1.00 0.00 O ATOM 224 CB ILE A 17 7.847 13.295 14.798 1.00 0.00 C ATOM 225 CG1 ILE A 17 6.922 13.615 13.621 1.00 0.00 C ATOM 226 CG2 ILE A 17 9.079 12.540 14.320 1.00 0.00 C ATOM 227 CD1 ILE A 17 6.282 14.982 13.710 1.00 0.00 C ATOM 0 H ILE A 17 6.696 11.132 14.300 1.00 0.00 H new ATOM 0 HA ILE A 17 7.785 12.212 16.662 1.00 0.00 H new ATOM 0 HB ILE A 17 8.172 14.234 15.247 1.00 0.00 H new ATOM 0 HG12 ILE A 17 7.491 13.549 12.694 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.139 12.859 13.569 1.00 0.00 H new ATOM 0 HG21 ILE A 17 9.601 13.133 13.569 1.00 0.00 H new ATOM 0 HG22 ILE A 17 9.744 12.357 15.164 1.00 0.00 H new ATOM 0 HG23 ILE A 17 8.776 11.588 13.884 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.640 15.140 12.843 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.685 15.046 14.620 1.00 0.00 H new ATOM 0 HD13 ILE A 17 7.059 15.747 13.731 1.00 0.00 H new ATOM 239 N GLY A 18 4.826 13.323 15.734 1.00 0.00 N ATOM 240 CA GLY A 18 3.681 14.093 16.186 1.00 0.00 C ATOM 241 C GLY A 18 3.112 13.573 17.491 1.00 0.00 C ATOM 242 O GLY A 18 2.792 14.351 18.390 1.00 0.00 O ATOM 0 H GLY A 18 4.680 12.807 14.866 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.974 15.135 16.311 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.906 14.069 15.420 1.00 0.00 H new ATOM 246 N PHE A 19 2.984 12.255 17.595 1.00 0.00 N ATOM 247 CA PHE A 19 2.447 11.632 18.800 1.00 0.00 C ATOM 248 C PHE A 19 3.375 11.857 19.989 1.00 0.00 C ATOM 249 O PHE A 19 2.925 12.160 21.095 1.00 0.00 O ATOM 250 CB PHE A 19 2.241 10.132 18.576 1.00 0.00 C ATOM 251 CG PHE A 19 0.906 9.793 17.977 1.00 0.00 C ATOM 252 CD1 PHE A 19 0.135 8.769 18.504 1.00 0.00 C ATOM 253 CD2 PHE A 19 0.422 10.497 16.886 1.00 0.00 C ATOM 254 CE1 PHE A 19 -1.094 8.455 17.956 1.00 0.00 C ATOM 255 CE2 PHE A 19 -0.807 10.188 16.334 1.00 0.00 C ATOM 256 CZ PHE A 19 -1.565 9.164 16.869 1.00 0.00 C ATOM 0 H PHE A 19 3.244 11.597 16.860 1.00 0.00 H new ATOM 0 HA PHE A 19 1.485 12.095 19.020 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.029 9.759 17.922 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.345 9.613 19.529 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.499 8.210 19.353 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.012 11.296 16.462 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -1.686 7.656 18.378 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.174 10.746 15.486 1.00 0.00 H new ATOM 0 HZ PHE A 19 -2.524 8.919 16.438 1.00 0.00 H new ATOM 266 N LEU A 20 4.674 11.706 19.755 1.00 0.00 N ATOM 267 CA LEU A 20 5.668 11.893 20.806 1.00 0.00 C ATOM 268 C LEU A 20 5.679 13.337 21.295 1.00 0.00 C ATOM 269 O LEU A 20 5.828 13.599 22.489 1.00 0.00 O ATOM 270 CB LEU A 20 7.057 11.504 20.296 1.00 0.00 C ATOM 271 CG LEU A 20 7.742 10.350 21.030 1.00 0.00 C ATOM 272 CD1 LEU A 20 7.057 9.031 20.707 1.00 0.00 C ATOM 273 CD2 LEU A 20 9.219 10.289 20.666 1.00 0.00 C ATOM 0 H LEU A 20 5.064 11.455 18.846 1.00 0.00 H new ATOM 0 HA LEU A 20 5.401 11.248 21.643 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.974 11.240 19.242 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.703 12.380 20.355 1.00 0.00 H new ATOM 0 HG LEU A 20 7.659 10.526 22.102 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.558 8.221 21.238 1.00 0.00 H new ATOM 0 HD12 LEU A 20 6.013 9.078 21.017 1.00 0.00 H new ATOM 0 HD13 LEU A 20 7.108 8.848 19.634 1.00 0.00 H new ATOM 0 HD21 LEU A 20 9.691 9.462 21.197 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.323 10.137 19.592 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.702 11.224 20.948 1.00 0.00 H new ATOM 285 N PHE A 21 5.519 14.273 20.365 1.00 0.00 N ATOM 286 CA PHE A 21 5.509 15.692 20.701 1.00 0.00 C ATOM 287 C PHE A 21 4.263 16.052 21.505 1.00 0.00 C ATOM 288 O PHE A 21 4.334 16.800 22.479 1.00 0.00 O ATOM 289 CB PHE A 21 5.571 16.540 19.429 1.00 0.00 C ATOM 290 CG PHE A 21 6.836 17.341 19.304 1.00 0.00 C ATOM 291 CD1 PHE A 21 7.622 17.246 18.167 1.00 0.00 C ATOM 292 CD2 PHE A 21 7.238 18.188 20.324 1.00 0.00 C ATOM 293 CE1 PHE A 21 8.786 17.982 18.049 1.00 0.00 C ATOM 294 CE2 PHE A 21 8.400 18.927 20.211 1.00 0.00 C ATOM 295 CZ PHE A 21 9.176 18.823 19.073 1.00 0.00 C ATOM 0 H PHE A 21 5.394 14.074 19.372 1.00 0.00 H new ATOM 0 HA PHE A 21 6.387 15.901 21.312 1.00 0.00 H new ATOM 0 HB2 PHE A 21 5.477 15.887 18.561 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.718 17.218 19.412 1.00 0.00 H new ATOM 0 HD1 PHE A 21 7.322 16.589 17.364 1.00 0.00 H new ATOM 0 HD2 PHE A 21 6.637 18.272 21.217 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.390 17.900 17.157 1.00 0.00 H new ATOM 0 HE2 PHE A 21 8.701 19.586 21.012 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.086 19.398 18.984 1.00 0.00 H new ATOM 305 N ALA A 22 3.121 15.513 21.088 1.00 0.00 N ATOM 306 CA ALA A 22 1.859 15.776 21.769 1.00 0.00 C ATOM 307 C ALA A 22 1.893 15.263 23.204 1.00 0.00 C ATOM 308 O ALA A 22 1.467 15.953 24.130 1.00 0.00 O ATOM 309 CB ALA A 22 0.706 15.141 21.006 1.00 0.00 C ATOM 0 H ALA A 22 3.044 14.892 20.282 1.00 0.00 H new ATOM 0 HA ALA A 22 1.709 16.855 21.800 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.230 15.345 21.525 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.661 15.559 20.000 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.860 14.064 20.945 1.00 0.00 H new ATOM 315 N ILE A 23 2.401 14.048 23.382 1.00 0.00 N ATOM 316 CA ILE A 23 2.490 13.443 24.705 1.00 0.00 C ATOM 317 C ILE A 23 3.474 14.200 25.590 1.00 0.00 C ATOM 318 O ILE A 23 3.255 14.352 26.792 1.00 0.00 O ATOM 319 CB ILE A 23 2.923 11.967 24.621 1.00 0.00 C ATOM 320 CG1 ILE A 23 1.865 11.144 23.884 1.00 0.00 C ATOM 321 CG2 ILE A 23 3.162 11.406 26.015 1.00 0.00 C ATOM 322 CD1 ILE A 23 0.548 11.053 24.622 1.00 0.00 C ATOM 0 H ILE A 23 2.757 13.463 22.626 1.00 0.00 H new ATOM 0 HA ILE A 23 1.494 13.497 25.144 1.00 0.00 H new ATOM 0 HB ILE A 23 3.857 11.908 24.061 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.692 11.585 22.902 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.250 10.138 23.718 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.467 10.362 25.940 1.00 0.00 H new ATOM 0 HG22 ILE A 23 3.947 11.979 26.508 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.243 11.474 26.597 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.154 10.455 24.041 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.707 10.584 25.593 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.141 12.054 24.764 1.00 0.00 H new ATOM 334 N PHE A 24 4.559 14.676 24.988 1.00 0.00 N ATOM 335 CA PHE A 24 5.577 15.419 25.721 1.00 0.00 C ATOM 336 C PHE A 24 5.034 16.765 26.192 1.00 0.00 C ATOM 337 O PHE A 24 5.315 17.205 27.307 1.00 0.00 O ATOM 338 CB PHE A 24 6.813 15.633 24.845 1.00 0.00 C ATOM 339 CG PHE A 24 7.983 14.779 25.241 1.00 0.00 C ATOM 340 CD1 PHE A 24 8.484 13.821 24.374 1.00 0.00 C ATOM 341 CD2 PHE A 24 8.583 14.933 26.481 1.00 0.00 C ATOM 342 CE1 PHE A 24 9.561 13.033 24.734 1.00 0.00 C ATOM 343 CE2 PHE A 24 9.660 14.148 26.847 1.00 0.00 C ATOM 344 CZ PHE A 24 10.149 13.197 25.973 1.00 0.00 C ATOM 0 H PHE A 24 4.756 14.560 23.994 1.00 0.00 H new ATOM 0 HA PHE A 24 5.858 14.834 26.597 1.00 0.00 H new ATOM 0 HB2 PHE A 24 6.554 15.422 23.807 1.00 0.00 H new ATOM 0 HB3 PHE A 24 7.106 16.682 24.894 1.00 0.00 H new ATOM 0 HD1 PHE A 24 8.027 13.688 23.404 1.00 0.00 H new ATOM 0 HD2 PHE A 24 8.205 15.675 27.169 1.00 0.00 H new ATOM 0 HE1 PHE A 24 9.942 12.291 24.048 1.00 0.00 H new ATOM 0 HE2 PHE A 24 10.119 14.278 27.816 1.00 0.00 H new ATOM 0 HZ PHE A 24 10.990 12.582 26.258 1.00 0.00 H new ATOM 354 N LEU A 25 4.256 17.415 25.334 1.00 0.00 N ATOM 355 CA LEU A 25 3.673 18.712 25.660 1.00 0.00 C ATOM 356 C LEU A 25 2.643 18.581 26.776 1.00 0.00 C ATOM 357 O LEU A 25 2.606 19.395 27.700 1.00 0.00 O ATOM 358 CB LEU A 25 3.023 19.328 24.420 1.00 0.00 C ATOM 359 CG LEU A 25 3.290 20.815 24.189 1.00 0.00 C ATOM 360 CD1 LEU A 25 2.851 21.630 25.396 1.00 0.00 C ATOM 361 CD2 LEU A 25 4.764 21.052 23.892 1.00 0.00 C ATOM 0 H LEU A 25 4.014 17.065 24.407 1.00 0.00 H new ATOM 0 HA LEU A 25 4.474 19.366 26.005 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.366 18.778 23.544 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.945 19.180 24.488 1.00 0.00 H new ATOM 0 HG LEU A 25 2.708 21.139 23.326 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.049 22.686 25.213 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.784 21.485 25.565 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.405 21.304 26.276 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.936 22.116 23.730 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.364 20.712 24.736 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.048 20.498 22.997 1.00 0.00 H new ATOM 373 N ILE A 26 1.809 17.550 26.687 1.00 0.00 N ATOM 374 CA ILE A 26 0.780 17.311 27.691 1.00 0.00 C ATOM 375 C ILE A 26 1.400 16.986 29.046 1.00 0.00 C ATOM 376 O ILE A 26 0.979 17.513 30.076 1.00 0.00 O ATOM 377 CB ILE A 26 -0.154 16.159 27.277 1.00 0.00 C ATOM 378 CG1 ILE A 26 -0.964 16.550 26.039 1.00 0.00 C ATOM 379 CG2 ILE A 26 -1.079 15.788 28.426 1.00 0.00 C ATOM 380 CD1 ILE A 26 -1.947 17.671 26.289 1.00 0.00 C ATOM 0 H ILE A 26 1.826 16.867 25.930 1.00 0.00 H new ATOM 0 HA ILE A 26 0.197 18.229 27.771 1.00 0.00 H new ATOM 0 HB ILE A 26 0.454 15.289 27.030 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.279 16.849 25.246 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.506 15.676 25.679 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.733 14.972 28.118 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.485 15.473 29.284 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.683 16.653 28.701 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.485 17.895 25.368 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.656 17.368 27.059 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.409 18.559 26.620 1.00 0.00 H new ATOM 392 N LEU A 27 2.404 16.116 29.037 1.00 0.00 N ATOM 393 CA LEU A 27 3.084 15.721 30.266 1.00 0.00 C ATOM 394 C LEU A 27 3.769 16.918 30.918 1.00 0.00 C ATOM 395 O LEU A 27 3.716 17.089 32.136 1.00 0.00 O ATOM 396 CB LEU A 27 4.113 14.627 29.973 1.00 0.00 C ATOM 397 CG LEU A 27 3.744 13.217 30.438 1.00 0.00 C ATOM 398 CD1 LEU A 27 3.609 13.173 31.952 1.00 0.00 C ATOM 399 CD2 LEU A 27 2.456 12.756 29.772 1.00 0.00 C ATOM 0 H LEU A 27 2.765 15.671 28.193 1.00 0.00 H new ATOM 0 HA LEU A 27 2.336 15.333 30.958 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.288 14.599 28.898 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.056 14.908 30.442 1.00 0.00 H new ATOM 0 HG LEU A 27 4.544 12.537 30.145 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.346 12.162 32.265 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.555 13.460 32.410 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.828 13.865 32.268 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.209 11.751 30.114 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.647 13.438 30.034 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.588 12.748 28.690 1.00 0.00 H new ATOM 411 N LEU A 28 4.410 17.744 30.099 1.00 0.00 N ATOM 412 CA LEU A 28 5.104 18.928 30.595 1.00 0.00 C ATOM 413 C LEU A 28 4.122 19.909 31.228 1.00 0.00 C ATOM 414 O LEU A 28 4.393 20.477 32.287 1.00 0.00 O ATOM 415 CB LEU A 28 5.864 19.612 29.457 1.00 0.00 C ATOM 416 CG LEU A 28 7.315 19.172 29.260 1.00 0.00 C ATOM 417 CD1 LEU A 28 7.784 19.494 27.850 1.00 0.00 C ATOM 418 CD2 LEU A 28 8.218 19.837 30.289 1.00 0.00 C ATOM 0 H LEU A 28 4.464 17.616 29.088 1.00 0.00 H new ATOM 0 HA LEU A 28 5.814 18.610 31.358 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.322 19.436 28.528 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.852 20.688 29.634 1.00 0.00 H new ATOM 0 HG LEU A 28 7.369 18.093 29.401 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.819 19.174 27.729 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.155 18.971 27.129 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.715 20.568 27.680 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.247 19.512 30.134 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.159 20.920 30.179 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.896 19.556 31.292 1.00 0.00 H new ATOM 430 N LEU A 29 2.982 20.101 30.575 1.00 0.00 N ATOM 431 CA LEU A 29 1.958 21.012 31.075 1.00 0.00 C ATOM 432 C LEU A 29 1.386 20.515 32.399 1.00 0.00 C ATOM 433 O LEU A 29 1.206 21.289 33.339 1.00 0.00 O ATOM 434 CB LEU A 29 0.836 21.164 30.046 1.00 0.00 C ATOM 435 CG LEU A 29 -0.328 22.069 30.452 1.00 0.00 C ATOM 436 CD1 LEU A 29 -0.689 23.015 29.318 1.00 0.00 C ATOM 437 CD2 LEU A 29 -1.535 21.235 30.858 1.00 0.00 C ATOM 0 H LEU A 29 2.743 19.638 29.698 1.00 0.00 H new ATOM 0 HA LEU A 29 2.422 21.984 31.243 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.267 21.552 29.123 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.439 20.174 29.822 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.018 22.665 31.310 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.519 23.651 29.625 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.173 23.636 29.074 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.980 22.437 28.441 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.354 21.895 31.144 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.846 20.613 30.019 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.270 20.599 31.703 1.00 0.00 H new ATOM 449 N VAL A 30 1.105 19.217 32.465 1.00 0.00 N ATOM 450 CA VAL A 30 0.556 18.615 33.675 1.00 0.00 C ATOM 451 C VAL A 30 1.526 18.749 34.843 1.00 0.00 C ATOM 452 O VAL A 30 1.131 19.103 35.954 1.00 0.00 O ATOM 453 CB VAL A 30 0.229 17.125 33.461 1.00 0.00 C ATOM 454 CG1 VAL A 30 -0.306 16.507 34.744 1.00 0.00 C ATOM 455 CG2 VAL A 30 -0.766 16.957 32.323 1.00 0.00 C ATOM 0 H VAL A 30 1.248 18.563 31.696 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.364 19.151 33.907 1.00 0.00 H new ATOM 0 HB VAL A 30 1.147 16.604 33.190 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.532 15.454 34.574 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.444 16.595 35.530 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.214 17.028 35.048 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.986 15.898 32.185 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.686 17.491 32.562 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.340 17.362 31.405 1.00 0.00 H new ATOM 465 N TYR A 31 2.798 18.463 34.585 1.00 0.00 N ATOM 466 CA TYR A 31 3.825 18.549 35.616 1.00 0.00 C ATOM 467 C TYR A 31 3.997 19.988 36.095 1.00 0.00 C ATOM 468 O TYR A 31 4.082 20.248 37.295 1.00 0.00 O ATOM 469 CB TYR A 31 5.156 18.014 35.085 1.00 0.00 C ATOM 470 CG TYR A 31 5.335 16.526 35.290 1.00 0.00 C ATOM 471 CD1 TYR A 31 6.526 16.012 35.786 1.00 0.00 C ATOM 472 CD2 TYR A 31 4.313 15.635 34.985 1.00 0.00 C ATOM 473 CE1 TYR A 31 6.695 14.654 35.974 1.00 0.00 C ATOM 474 CE2 TYR A 31 4.472 14.276 35.171 1.00 0.00 C ATOM 475 CZ TYR A 31 5.665 13.790 35.665 1.00 0.00 C ATOM 476 OH TYR A 31 5.828 12.436 35.851 1.00 0.00 O ATOM 0 H TYR A 31 3.142 18.170 33.671 1.00 0.00 H new ATOM 0 HA TYR A 31 3.507 17.939 36.462 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.229 18.237 34.021 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.973 18.541 35.578 1.00 0.00 H new ATOM 0 HD1 TYR A 31 7.334 16.686 36.029 1.00 0.00 H new ATOM 0 HD2 TYR A 31 3.379 16.012 34.596 1.00 0.00 H new ATOM 0 HE1 TYR A 31 7.628 14.271 36.361 1.00 0.00 H new ATOM 0 HE2 TYR A 31 3.667 13.597 34.931 1.00 0.00 H new ATOM 0 HH TYR A 31 5.008 11.968 35.586 1.00 0.00 H new ATOM 486 N ARG A 32 4.048 20.918 35.147 1.00 0.00 N ATOM 487 CA ARG A 32 4.210 22.330 35.470 1.00 0.00 C ATOM 488 C ARG A 32 3.047 22.830 36.323 1.00 0.00 C ATOM 489 O ARG A 32 3.238 23.614 37.251 1.00 0.00 O ATOM 490 CB ARG A 32 4.311 23.160 34.189 1.00 0.00 C ATOM 491 CG ARG A 32 5.741 23.455 33.765 1.00 0.00 C ATOM 492 CD ARG A 32 5.836 24.764 32.999 1.00 0.00 C ATOM 493 NE ARG A 32 6.650 24.635 31.793 1.00 0.00 N ATOM 494 CZ ARG A 32 7.977 24.588 31.804 1.00 0.00 C ATOM 495 NH1 ARG A 32 8.637 24.660 32.952 1.00 0.00 N ATOM 496 NH2 ARG A 32 8.648 24.470 30.666 1.00 0.00 N ATOM 0 H ARG A 32 3.979 20.719 34.149 1.00 0.00 H new ATOM 0 HA ARG A 32 5.131 22.443 36.041 1.00 0.00 H new ATOM 0 HB2 ARG A 32 3.804 22.631 33.382 1.00 0.00 H new ATOM 0 HB3 ARG A 32 3.782 24.102 34.334 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.381 23.501 34.646 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.113 22.641 33.143 1.00 0.00 H new ATOM 0 HD2 ARG A 32 4.835 25.098 32.727 1.00 0.00 H new ATOM 0 HD3 ARG A 32 6.263 25.531 33.644 1.00 0.00 H new ATOM 0 HE ARG A 32 6.173 24.578 30.893 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.125 24.752 33.830 1.00 0.00 H new ATOM 0 HH12 ARG A 32 9.656 24.624 32.957 1.00 0.00 H new ATOM 0 HH21 ARG A 32 8.145 24.415 29.781 1.00 0.00 H new ATOM 0 HH22 ARG A 32 9.667 24.434 30.676 1.00 0.00 H new