USER MOD reduce.3.24.130724 H: found=0, std=0, add=299, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 301 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 21 CYS SG : rot 78:sc= 0.411 USER MOD Single : A 25 SER OG : rot 83:sc= 1.2 USER MOD Single : A 26 THR OG1 : rot 68:sc= 0.621 USER MOD Single : B 121 CYS SG : rot 77:sc= 0.42 USER MOD Single : B 125 SER OG : rot 78:sc= 0.826 USER MOD Single : B 126 THR OG1 : rot 66:sc= 0.59 USER MOD ----------------------------------------------------------------- ATOM 171 N VAL A 12 -14.565 2.938 -12.447 1.00 0.00 N ATOM 172 CA VAL A 12 -14.871 1.614 -11.918 1.00 0.00 C ATOM 173 C VAL A 12 -16.032 1.669 -10.934 1.00 0.00 C ATOM 174 O VAL A 12 -17.022 0.954 -11.085 1.00 0.00 O ATOM 175 CB VAL A 12 -13.648 0.993 -11.218 1.00 0.00 C ATOM 176 CG1 VAL A 12 -13.992 -0.377 -10.654 1.00 0.00 C ATOM 177 CG2 VAL A 12 -12.472 0.903 -12.178 1.00 0.00 C ATOM 0 HA VAL A 12 -15.149 0.991 -12.768 1.00 0.00 H new ATOM 0 HB VAL A 12 -13.361 1.639 -10.388 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -13.115 -0.799 -10.163 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -14.801 -0.280 -9.930 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.307 -1.035 -11.464 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.617 0.462 -11.666 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -12.745 0.281 -13.030 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.210 1.902 -12.527 1.00 0.00 H new ATOM 187 N ALA A 13 -15.906 2.525 -9.924 1.00 0.00 N ATOM 188 CA ALA A 13 -16.947 2.676 -8.915 1.00 0.00 C ATOM 189 C ALA A 13 -18.251 3.157 -9.541 1.00 0.00 C ATOM 190 O ALA A 13 -19.337 2.747 -9.129 1.00 0.00 O ATOM 191 CB ALA A 13 -16.493 3.641 -7.829 1.00 0.00 C ATOM 0 H ALA A 13 -15.093 3.124 -9.783 1.00 0.00 H new ATOM 0 HA ALA A 13 -17.128 1.700 -8.466 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -17.280 3.744 -7.082 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -15.590 3.256 -7.354 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -16.283 4.615 -8.272 1.00 0.00 H new ATOM 197 N VAL A 14 -18.138 4.028 -10.538 1.00 0.00 N ATOM 198 CA VAL A 14 -19.310 4.565 -11.220 1.00 0.00 C ATOM 199 C VAL A 14 -20.062 3.468 -11.966 1.00 0.00 C ATOM 200 O VAL A 14 -21.248 3.245 -11.732 1.00 0.00 O ATOM 201 CB VAL A 14 -18.920 5.673 -12.217 1.00 0.00 C ATOM 202 CG1 VAL A 14 -20.151 6.195 -12.943 1.00 0.00 C ATOM 203 CG2 VAL A 14 -18.196 6.802 -11.500 1.00 0.00 C ATOM 0 H VAL A 14 -17.247 4.377 -10.892 1.00 0.00 H new ATOM 0 HA VAL A 14 -19.957 4.988 -10.452 1.00 0.00 H new ATOM 0 HB VAL A 14 -18.242 5.250 -12.958 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -19.856 6.977 -13.643 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -20.625 5.379 -13.489 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -20.855 6.604 -12.218 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -17.928 7.576 -12.219 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -18.849 7.226 -10.737 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -17.292 6.414 -11.030 1.00 0.00 H new ATOM 213 N GLY A 15 -19.361 2.784 -12.866 1.00 0.00 N ATOM 214 CA GLY A 15 -19.979 1.719 -13.633 1.00 0.00 C ATOM 215 C GLY A 15 -20.529 0.615 -12.753 1.00 0.00 C ATOM 216 O GLY A 15 -21.703 0.256 -12.854 1.00 0.00 O ATOM 0 H GLY A 15 -18.377 2.949 -13.077 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -20.785 2.132 -14.239 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -19.246 1.299 -14.322 1.00 0.00 H new ATOM 220 N LEU A 16 -19.680 0.072 -11.887 1.00 0.00 N ATOM 221 CA LEU A 16 -20.087 -0.999 -10.985 1.00 0.00 C ATOM 222 C LEU A 16 -21.345 -0.614 -10.214 1.00 0.00 C ATOM 223 O LEU A 16 -22.330 -1.351 -10.204 1.00 0.00 O ATOM 224 CB LEU A 16 -18.958 -1.327 -10.007 1.00 0.00 C ATOM 225 CG LEU A 16 -17.957 -2.389 -10.468 1.00 0.00 C ATOM 226 CD1 LEU A 16 -16.736 -2.400 -9.563 1.00 0.00 C ATOM 227 CD2 LEU A 16 -18.614 -3.762 -10.499 1.00 0.00 C ATOM 0 H LEU A 16 -18.705 0.356 -11.791 1.00 0.00 H new ATOM 0 HA LEU A 16 -20.307 -1.881 -11.586 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -18.411 -0.409 -9.794 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -19.402 -1.658 -9.068 1.00 0.00 H new ATOM 0 HG LEU A 16 -17.632 -2.141 -11.478 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -16.036 -3.161 -9.906 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -16.253 -1.423 -9.592 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -17.043 -2.623 -8.541 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -17.888 -4.505 -10.829 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -18.968 -4.019 -9.500 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -19.457 -3.746 -11.190 1.00 0.00 H new ATOM 239 N ALA A 17 -21.306 0.549 -9.570 1.00 0.00 N ATOM 240 CA ALA A 17 -22.444 1.034 -8.802 1.00 0.00 C ATOM 241 C ALA A 17 -23.721 1.011 -9.634 1.00 0.00 C ATOM 242 O ALA A 17 -24.743 0.469 -9.209 1.00 0.00 O ATOM 243 CB ALA A 17 -22.173 2.442 -8.288 1.00 0.00 C ATOM 0 H ALA A 17 -20.498 1.172 -9.566 1.00 0.00 H new ATOM 0 HA ALA A 17 -22.585 0.368 -7.951 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -23.032 2.792 -7.716 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -21.290 2.432 -7.648 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -22.002 3.111 -9.132 1.00 0.00 H new ATOM 249 N VAL A 18 -23.658 1.600 -10.824 1.00 0.00 N ATOM 250 CA VAL A 18 -24.809 1.645 -11.718 1.00 0.00 C ATOM 251 C VAL A 18 -25.410 0.258 -11.911 1.00 0.00 C ATOM 252 O VAL A 18 -26.621 0.073 -11.800 1.00 0.00 O ATOM 253 CB VAL A 18 -24.429 2.225 -13.093 1.00 0.00 C ATOM 254 CG1 VAL A 18 -25.635 2.233 -14.021 1.00 0.00 C ATOM 255 CG2 VAL A 18 -23.853 3.624 -12.941 1.00 0.00 C ATOM 0 H VAL A 18 -22.821 2.053 -11.191 1.00 0.00 H new ATOM 0 HA VAL A 18 -25.548 2.295 -11.250 1.00 0.00 H new ATOM 0 HB VAL A 18 -23.663 1.589 -13.537 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -25.347 2.646 -14.988 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -25.998 1.214 -14.155 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -26.425 2.845 -13.586 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -23.590 4.018 -13.923 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -24.594 4.274 -12.476 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -22.961 3.584 -12.315 1.00 0.00 H new ATOM 265 N PHE A 19 -24.553 -0.717 -12.200 1.00 0.00 N ATOM 266 CA PHE A 19 -24.999 -2.089 -12.409 1.00 0.00 C ATOM 267 C PHE A 19 -25.726 -2.619 -11.177 1.00 0.00 C ATOM 268 O PHE A 19 -26.859 -3.092 -11.267 1.00 0.00 O ATOM 269 CB PHE A 19 -23.807 -2.990 -12.739 1.00 0.00 C ATOM 270 CG PHE A 19 -24.121 -4.050 -13.756 1.00 0.00 C ATOM 271 CD1 PHE A 19 -24.148 -3.745 -15.108 1.00 0.00 C ATOM 272 CD2 PHE A 19 -24.388 -5.351 -13.362 1.00 0.00 C ATOM 273 CE1 PHE A 19 -24.436 -4.718 -16.047 1.00 0.00 C ATOM 274 CE2 PHE A 19 -24.675 -6.328 -14.296 1.00 0.00 C ATOM 275 CZ PHE A 19 -24.700 -6.010 -15.640 1.00 0.00 C ATOM 0 H PHE A 19 -23.546 -0.582 -12.295 1.00 0.00 H new ATOM 0 HA PHE A 19 -25.694 -2.095 -13.249 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -22.987 -2.374 -13.109 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -23.458 -3.468 -11.823 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -23.942 -2.735 -15.432 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -24.372 -5.605 -12.312 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -24.454 -4.467 -17.097 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -24.880 -7.339 -13.976 1.00 0.00 H new ATOM 0 HZ PHE A 19 -24.926 -6.772 -16.372 1.00 0.00 H new ATOM 285 N ALA A 20 -25.065 -2.536 -10.026 1.00 0.00 N ATOM 286 CA ALA A 20 -25.648 -3.005 -8.776 1.00 0.00 C ATOM 287 C ALA A 20 -26.955 -2.281 -8.472 1.00 0.00 C ATOM 288 O ALA A 20 -27.908 -2.882 -7.973 1.00 0.00 O ATOM 289 CB ALA A 20 -24.662 -2.820 -7.631 1.00 0.00 C ATOM 0 H ALA A 20 -24.126 -2.148 -9.934 1.00 0.00 H new ATOM 0 HA ALA A 20 -25.869 -4.067 -8.884 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -25.111 -3.175 -6.703 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -23.755 -3.389 -7.836 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -24.413 -1.763 -7.533 1.00 0.00 H new ATOM 295 N CYS A 21 -26.994 -0.989 -8.778 1.00 0.00 N ATOM 296 CA CYS A 21 -28.185 -0.182 -8.538 1.00 0.00 C ATOM 297 C CYS A 21 -29.387 -0.749 -9.287 1.00 0.00 C ATOM 298 O CYS A 21 -30.493 -0.818 -8.749 1.00 0.00 O ATOM 299 CB CYS A 21 -27.941 1.266 -8.963 1.00 0.00 C ATOM 300 SG CYS A 21 -26.879 2.198 -7.834 1.00 0.00 S ATOM 0 H CYS A 21 -26.215 -0.478 -9.193 1.00 0.00 H new ATOM 0 HA CYS A 21 -28.400 -0.207 -7.470 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -27.491 1.271 -9.956 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -28.901 1.776 -9.046 1.00 0.00 H new ATOM 0 HG CYS A 21 -25.637 1.870 -8.036 1.00 0.00 H new ATOM 306 N LEU A 22 -29.164 -1.151 -10.534 1.00 0.00 N ATOM 307 CA LEU A 22 -30.228 -1.711 -11.359 1.00 0.00 C ATOM 308 C LEU A 22 -30.709 -3.045 -10.798 1.00 0.00 C ATOM 309 O LEU A 22 -31.909 -3.319 -10.760 1.00 0.00 O ATOM 310 CB LEU A 22 -29.742 -1.895 -12.798 1.00 0.00 C ATOM 311 CG LEU A 22 -29.977 -0.716 -13.742 1.00 0.00 C ATOM 312 CD1 LEU A 22 -29.410 -1.015 -15.121 1.00 0.00 C ATOM 313 CD2 LEU A 22 -31.461 -0.391 -13.832 1.00 0.00 C ATOM 0 H LEU A 22 -28.256 -1.099 -10.995 1.00 0.00 H new ATOM 0 HA LEU A 22 -31.065 -1.013 -11.351 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -28.673 -2.108 -12.775 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -30.233 -2.773 -13.217 1.00 0.00 H new ATOM 0 HG LEU A 22 -29.459 0.155 -13.340 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -29.587 -0.164 -15.779 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -28.338 -1.196 -15.042 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -29.898 -1.899 -15.531 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -31.609 0.451 -14.508 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -32.001 -1.259 -14.210 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -31.837 -0.132 -12.842 1.00 0.00 H new ATOM 325 N PHE A 23 -29.765 -3.871 -10.360 1.00 0.00 N ATOM 326 CA PHE A 23 -30.091 -5.177 -9.798 1.00 0.00 C ATOM 327 C PHE A 23 -31.051 -5.038 -8.621 1.00 0.00 C ATOM 328 O PHE A 23 -32.071 -5.726 -8.551 1.00 0.00 O ATOM 329 CB PHE A 23 -28.817 -5.896 -9.351 1.00 0.00 C ATOM 330 CG PHE A 23 -29.064 -7.282 -8.828 1.00 0.00 C ATOM 331 CD1 PHE A 23 -30.127 -8.036 -9.300 1.00 0.00 C ATOM 332 CD2 PHE A 23 -28.232 -7.833 -7.866 1.00 0.00 C ATOM 333 CE1 PHE A 23 -30.357 -9.312 -8.820 1.00 0.00 C ATOM 334 CE2 PHE A 23 -28.456 -9.108 -7.383 1.00 0.00 C ATOM 335 CZ PHE A 23 -29.519 -9.849 -7.862 1.00 0.00 C ATOM 0 H PHE A 23 -28.767 -3.659 -10.383 1.00 0.00 H new ATOM 0 HA PHE A 23 -30.579 -5.767 -10.574 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -28.126 -5.951 -10.192 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -28.329 -5.305 -8.576 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -30.783 -7.622 -10.051 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -27.398 -7.259 -7.489 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -31.191 -9.888 -9.193 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -27.801 -9.525 -6.632 1.00 0.00 H new ATOM 0 HZ PHE A 23 -29.695 -10.847 -7.488 1.00 0.00 H new ATOM 345 N LEU A 24 -30.718 -4.143 -7.697 1.00 0.00 N ATOM 346 CA LEU A 24 -31.550 -3.914 -6.520 1.00 0.00 C ATOM 347 C LEU A 24 -32.875 -3.266 -6.909 1.00 0.00 C ATOM 348 O LEU A 24 -33.891 -3.460 -6.241 1.00 0.00 O ATOM 349 CB LEU A 24 -30.812 -3.028 -5.516 1.00 0.00 C ATOM 350 CG LEU A 24 -29.769 -3.727 -4.643 1.00 0.00 C ATOM 351 CD1 LEU A 24 -28.542 -2.846 -4.469 1.00 0.00 C ATOM 352 CD2 LEU A 24 -30.362 -4.091 -3.290 1.00 0.00 C ATOM 0 H LEU A 24 -29.879 -3.565 -7.740 1.00 0.00 H new ATOM 0 HA LEU A 24 -31.760 -4.879 -6.059 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -30.319 -2.225 -6.064 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -31.549 -2.561 -4.863 1.00 0.00 H new ATOM 0 HG LEU A 24 -29.464 -4.647 -5.142 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -27.811 -3.360 -3.845 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -28.103 -2.636 -5.445 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -28.831 -1.909 -3.993 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -29.605 -4.587 -2.683 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -30.697 -3.185 -2.784 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -31.210 -4.761 -3.433 1.00 0.00 H new ATOM 364 N SER A 25 -32.859 -2.499 -7.994 1.00 0.00 N ATOM 365 CA SER A 25 -34.058 -1.822 -8.471 1.00 0.00 C ATOM 366 C SER A 25 -35.031 -2.817 -9.097 1.00 0.00 C ATOM 367 O SER A 25 -36.246 -2.706 -8.929 1.00 0.00 O ATOM 368 CB SER A 25 -33.689 -0.742 -9.490 1.00 0.00 C ATOM 369 OG SER A 25 -32.990 0.325 -8.872 1.00 0.00 O ATOM 0 H SER A 25 -32.027 -2.331 -8.560 1.00 0.00 H new ATOM 0 HA SER A 25 -34.545 -1.353 -7.616 1.00 0.00 H new ATOM 0 HB2 SER A 25 -33.073 -1.176 -10.278 1.00 0.00 H new ATOM 0 HB3 SER A 25 -34.593 -0.362 -9.965 1.00 0.00 H new ATOM 0 HG SER A 25 -32.041 0.092 -8.792 1.00 0.00 H new ATOM 375 N THR A 26 -34.487 -3.790 -9.823 1.00 0.00 N ATOM 376 CA THR A 26 -35.304 -4.804 -10.476 1.00 0.00 C ATOM 377 C THR A 26 -35.960 -5.725 -9.453 1.00 0.00 C ATOM 378 O THR A 26 -37.165 -5.974 -9.509 1.00 0.00 O ATOM 379 CB THR A 26 -34.471 -5.654 -11.453 1.00 0.00 C ATOM 380 OG1 THR A 26 -33.825 -4.806 -12.411 1.00 0.00 O ATOM 381 CG2 THR A 26 -35.348 -6.666 -12.175 1.00 0.00 C ATOM 0 H THR A 26 -33.484 -3.896 -9.973 1.00 0.00 H new ATOM 0 HA THR A 26 -36.077 -4.275 -11.034 1.00 0.00 H new ATOM 0 HB THR A 26 -33.718 -6.194 -10.879 1.00 0.00 H new ATOM 0 HG1 THR A 26 -33.143 -4.265 -11.961 1.00 0.00 H new ATOM 0 HG21 THR A 26 -34.737 -7.254 -12.859 1.00 0.00 H new ATOM 0 HG22 THR A 26 -35.816 -7.328 -11.446 1.00 0.00 H new ATOM 0 HG23 THR A 26 -36.121 -6.142 -12.738 1.00 0.00 H new ATOM 389 N LEU A 27 -35.161 -6.226 -8.517 1.00 0.00 N ATOM 390 CA LEU A 27 -35.665 -7.119 -7.479 1.00 0.00 C ATOM 391 C LEU A 27 -36.756 -6.440 -6.658 1.00 0.00 C ATOM 392 O LEU A 27 -37.842 -6.992 -6.472 1.00 0.00 O ATOM 393 CB LEU A 27 -34.523 -7.562 -6.563 1.00 0.00 C ATOM 394 CG LEU A 27 -33.318 -8.201 -7.252 1.00 0.00 C ATOM 395 CD1 LEU A 27 -32.057 -7.992 -6.428 1.00 0.00 C ATOM 396 CD2 LEU A 27 -33.563 -9.685 -7.488 1.00 0.00 C ATOM 0 H LEU A 27 -34.162 -6.029 -8.455 1.00 0.00 H new ATOM 0 HA LEU A 27 -36.095 -7.995 -7.965 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -34.177 -6.694 -6.002 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -34.920 -8.272 -5.838 1.00 0.00 H new ATOM 0 HG LEU A 27 -33.179 -7.717 -8.219 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -31.210 -8.454 -6.935 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -31.871 -6.924 -6.311 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -32.184 -8.448 -5.446 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -32.695 -10.124 -7.979 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -33.729 -10.183 -6.533 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -34.441 -9.813 -8.121 1.00 0.00 H new ATOM 408 N LEU A 28 -36.464 -5.239 -6.173 1.00 0.00 N ATOM 409 CA LEU A 28 -37.422 -4.482 -5.375 1.00 0.00 C ATOM 410 C LEU A 28 -38.748 -4.333 -6.112 1.00 0.00 C ATOM 411 O LEU A 28 -39.814 -4.610 -5.559 1.00 0.00 O ATOM 412 CB LEU A 28 -36.856 -3.102 -5.035 1.00 0.00 C ATOM 413 CG LEU A 28 -36.050 -3.008 -3.739 1.00 0.00 C ATOM 414 CD1 LEU A 28 -35.361 -1.655 -3.636 1.00 0.00 C ATOM 415 CD2 LEU A 28 -36.948 -3.245 -2.534 1.00 0.00 C ATOM 0 H LEU A 28 -35.571 -4.768 -6.318 1.00 0.00 H new ATOM 0 HA LEU A 28 -37.601 -5.032 -4.451 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -36.220 -2.779 -5.859 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -37.684 -2.396 -4.976 1.00 0.00 H new ATOM 0 HG LEU A 28 -35.283 -3.783 -3.753 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -34.792 -1.606 -2.707 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -34.686 -1.525 -4.482 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -36.110 -0.864 -3.644 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -36.357 -3.174 -1.621 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -37.737 -2.493 -2.515 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -37.394 -4.237 -2.602 1.00 0.00 H new ATOM 427 N LEU A 29 -38.676 -3.893 -7.364 1.00 0.00 N ATOM 428 CA LEU A 29 -39.872 -3.710 -8.180 1.00 0.00 C ATOM 429 C LEU A 29 -40.655 -5.013 -8.300 1.00 0.00 C ATOM 430 O LEU A 29 -41.879 -5.029 -8.154 1.00 0.00 O ATOM 431 CB LEU A 29 -39.490 -3.202 -9.572 1.00 0.00 C ATOM 432 CG LEU A 29 -39.303 -1.690 -9.706 1.00 0.00 C ATOM 433 CD1 LEU A 29 -38.529 -1.358 -10.971 1.00 0.00 C ATOM 434 CD2 LEU A 29 -40.651 -0.983 -9.703 1.00 0.00 C ATOM 0 H LEU A 29 -37.803 -3.657 -7.836 1.00 0.00 H new ATOM 0 HA LEU A 29 -40.506 -2.971 -7.690 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -38.564 -3.691 -9.874 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -40.260 -3.517 -10.276 1.00 0.00 H new ATOM 0 HG LEU A 29 -38.728 -1.338 -8.850 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -38.406 -0.278 -11.049 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -37.549 -1.833 -10.933 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -39.077 -1.725 -11.839 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -40.498 0.092 -9.799 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -41.251 -1.341 -10.540 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -41.170 -1.193 -8.768 1.00 0.00 H new ATOM 446 N VAL A 30 -39.944 -6.104 -8.563 1.00 0.00 N ATOM 447 CA VAL A 30 -40.573 -7.412 -8.698 1.00 0.00 C ATOM 448 C VAL A 30 -41.297 -7.810 -7.417 1.00 0.00 C ATOM 449 O VAL A 30 -42.473 -8.172 -7.443 1.00 0.00 O ATOM 450 CB VAL A 30 -39.537 -8.499 -9.048 1.00 0.00 C ATOM 451 CG1 VAL A 30 -40.198 -9.867 -9.105 1.00 0.00 C ATOM 452 CG2 VAL A 30 -38.850 -8.174 -10.365 1.00 0.00 C ATOM 0 H VAL A 30 -38.932 -6.108 -8.687 1.00 0.00 H new ATOM 0 HA VAL A 30 -41.296 -7.333 -9.510 1.00 0.00 H new ATOM 0 HB VAL A 30 -38.779 -8.521 -8.265 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -39.452 -10.622 -9.353 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -40.640 -10.098 -8.136 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -40.977 -9.863 -9.867 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -38.122 -8.951 -10.597 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -39.593 -8.124 -11.161 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -38.341 -7.213 -10.283 1.00 0.00 H new ATOM 462 N LEU A 31 -40.586 -7.739 -6.296 1.00 0.00 N ATOM 463 CA LEU A 31 -41.162 -8.090 -5.003 1.00 0.00 C ATOM 464 C LEU A 31 -42.432 -7.289 -4.736 1.00 0.00 C ATOM 465 O LEU A 31 -43.384 -7.796 -4.143 1.00 0.00 O ATOM 466 CB LEU A 31 -40.146 -7.843 -3.886 1.00 0.00 C ATOM 467 CG LEU A 31 -39.196 -9.001 -3.575 1.00 0.00 C ATOM 468 CD1 LEU A 31 -37.873 -8.476 -3.039 1.00 0.00 C ATOM 469 CD2 LEU A 31 -39.833 -9.961 -2.581 1.00 0.00 C ATOM 0 H LEU A 31 -39.611 -7.442 -6.257 1.00 0.00 H new ATOM 0 HA LEU A 31 -41.420 -9.149 -5.024 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -39.549 -6.971 -4.152 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -40.690 -7.591 -2.976 1.00 0.00 H new ATOM 0 HG LEU A 31 -39.000 -9.544 -4.500 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -37.210 -9.314 -2.823 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -37.410 -7.829 -3.784 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -38.050 -7.909 -2.125 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -39.143 -10.778 -2.371 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -40.059 -9.430 -1.656 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -40.754 -10.363 -3.003 1.00 0.00 H new ATOM 789 N VAL B 112 -13.852 -2.802 -2.553 1.00 0.00 N ATOM 790 CA VAL B 112 -14.945 -2.236 -3.335 1.00 0.00 C ATOM 791 C VAL B 112 -15.176 -3.031 -4.615 1.00 0.00 C ATOM 792 O VAL B 112 -16.295 -3.455 -4.900 1.00 0.00 O ATOM 793 CB VAL B 112 -14.669 -0.765 -3.701 1.00 0.00 C ATOM 794 CG1 VAL B 112 -15.811 -0.197 -4.530 1.00 0.00 C ATOM 795 CG2 VAL B 112 -14.447 0.064 -2.445 1.00 0.00 C ATOM 0 HA VAL B 112 -15.839 -2.288 -2.713 1.00 0.00 H new ATOM 0 HB VAL B 112 -13.760 -0.723 -4.302 1.00 0.00 H new ATOM 0 HG11 VAL B 112 -15.598 0.843 -4.779 1.00 0.00 H new ATOM 0 HG12 VAL B 112 -15.917 -0.775 -5.448 1.00 0.00 H new ATOM 0 HG13 VAL B 112 -16.737 -0.251 -3.958 1.00 0.00 H new ATOM 0 HG21 VAL B 112 -14.253 1.100 -2.722 1.00 0.00 H new ATOM 0 HG22 VAL B 112 -15.336 0.017 -1.816 1.00 0.00 H new ATOM 0 HG23 VAL B 112 -13.592 -0.330 -1.895 1.00 0.00 H new ATOM 805 N ALA B 113 -14.109 -3.231 -5.381 1.00 0.00 N ATOM 806 CA ALA B 113 -14.196 -3.978 -6.630 1.00 0.00 C ATOM 807 C ALA B 113 -14.717 -5.391 -6.389 1.00 0.00 C ATOM 808 O ALA B 113 -15.475 -5.930 -7.195 1.00 0.00 O ATOM 809 CB ALA B 113 -12.836 -4.025 -7.312 1.00 0.00 C ATOM 0 H ALA B 113 -13.175 -2.887 -5.159 1.00 0.00 H new ATOM 0 HA ALA B 113 -14.901 -3.465 -7.284 1.00 0.00 H new ATOM 0 HB1 ALA B 113 -12.915 -4.586 -8.243 1.00 0.00 H new ATOM 0 HB2 ALA B 113 -12.501 -3.010 -7.527 1.00 0.00 H new ATOM 0 HB3 ALA B 113 -12.116 -4.513 -6.655 1.00 0.00 H new ATOM 815 N VAL B 114 -14.305 -5.987 -5.275 1.00 0.00 N ATOM 816 CA VAL B 114 -14.731 -7.338 -4.928 1.00 0.00 C ATOM 817 C VAL B 114 -16.232 -7.390 -4.666 1.00 0.00 C ATOM 818 O VAL B 114 -16.959 -8.147 -5.309 1.00 0.00 O ATOM 819 CB VAL B 114 -13.985 -7.860 -3.685 1.00 0.00 C ATOM 820 CG1 VAL B 114 -14.478 -9.249 -3.310 1.00 0.00 C ATOM 821 CG2 VAL B 114 -12.484 -7.864 -3.928 1.00 0.00 C ATOM 0 H VAL B 114 -13.677 -5.556 -4.597 1.00 0.00 H new ATOM 0 HA VAL B 114 -14.491 -7.974 -5.780 1.00 0.00 H new ATOM 0 HB VAL B 114 -14.192 -7.191 -2.850 1.00 0.00 H new ATOM 0 HG11 VAL B 114 -13.940 -9.601 -2.430 1.00 0.00 H new ATOM 0 HG12 VAL B 114 -15.545 -9.209 -3.091 1.00 0.00 H new ATOM 0 HG13 VAL B 114 -14.303 -9.934 -4.140 1.00 0.00 H new ATOM 0 HG21 VAL B 114 -11.973 -8.236 -3.040 1.00 0.00 H new ATOM 0 HG22 VAL B 114 -12.254 -8.510 -4.776 1.00 0.00 H new ATOM 0 HG23 VAL B 114 -12.147 -6.850 -4.143 1.00 0.00 H new ATOM 831 N GLY B 115 -16.690 -6.581 -3.716 1.00 0.00 N ATOM 832 CA GLY B 115 -18.103 -6.549 -3.386 1.00 0.00 C ATOM 833 C GLY B 115 -18.966 -6.159 -4.569 1.00 0.00 C ATOM 834 O GLY B 115 -19.906 -6.873 -4.924 1.00 0.00 O ATOM 0 H GLY B 115 -16.108 -5.947 -3.169 1.00 0.00 H new ATOM 0 HA2 GLY B 115 -18.411 -7.530 -3.024 1.00 0.00 H new ATOM 0 HA3 GLY B 115 -18.267 -5.843 -2.572 1.00 0.00 H new ATOM 838 N LEU B 116 -18.651 -5.023 -5.181 1.00 0.00 N ATOM 839 CA LEU B 116 -19.406 -4.538 -6.330 1.00 0.00 C ATOM 840 C LEU B 116 -19.502 -5.610 -7.411 1.00 0.00 C ATOM 841 O LEU B 116 -20.591 -5.929 -7.888 1.00 0.00 O ATOM 842 CB LEU B 116 -18.750 -3.279 -6.901 1.00 0.00 C ATOM 843 CG LEU B 116 -19.236 -1.949 -6.326 1.00 0.00 C ATOM 844 CD1 LEU B 116 -18.289 -0.823 -6.711 1.00 0.00 C ATOM 845 CD2 LEU B 116 -20.650 -1.646 -6.802 1.00 0.00 C ATOM 0 H LEU B 116 -17.877 -4.420 -4.900 1.00 0.00 H new ATOM 0 HA LEU B 116 -20.414 -4.295 -5.995 1.00 0.00 H new ATOM 0 HB2 LEU B 116 -17.674 -3.350 -6.741 1.00 0.00 H new ATOM 0 HB3 LEU B 116 -18.912 -3.266 -7.979 1.00 0.00 H new ATOM 0 HG LEU B 116 -19.250 -2.029 -5.239 1.00 0.00 H new ATOM 0 HD11 LEU B 116 -18.651 0.116 -6.293 1.00 0.00 H new ATOM 0 HD12 LEU B 116 -17.294 -1.035 -6.320 1.00 0.00 H new ATOM 0 HD13 LEU B 116 -18.242 -0.742 -7.797 1.00 0.00 H new ATOM 0 HD21 LEU B 116 -20.979 -0.695 -6.383 1.00 0.00 H new ATOM 0 HD22 LEU B 116 -20.663 -1.586 -7.890 1.00 0.00 H new ATOM 0 HD23 LEU B 116 -21.322 -2.439 -6.474 1.00 0.00 H new ATOM 857 N ALA B 117 -18.356 -6.164 -7.791 1.00 0.00 N ATOM 858 CA ALA B 117 -18.311 -7.203 -8.812 1.00 0.00 C ATOM 859 C ALA B 117 -19.286 -8.330 -8.491 1.00 0.00 C ATOM 860 O ALA B 117 -20.111 -8.707 -9.323 1.00 0.00 O ATOM 861 CB ALA B 117 -16.897 -7.749 -8.949 1.00 0.00 C ATOM 0 H ALA B 117 -17.446 -5.911 -7.407 1.00 0.00 H new ATOM 0 HA ALA B 117 -18.610 -6.758 -9.761 1.00 0.00 H new ATOM 0 HB1 ALA B 117 -16.879 -8.524 -9.715 1.00 0.00 H new ATOM 0 HB2 ALA B 117 -16.221 -6.942 -9.233 1.00 0.00 H new ATOM 0 HB3 ALA B 117 -16.577 -8.172 -7.997 1.00 0.00 H new ATOM 867 N VAL B 118 -19.185 -8.867 -7.279 1.00 0.00 N ATOM 868 CA VAL B 118 -20.058 -9.951 -6.847 1.00 0.00 C ATOM 869 C VAL B 118 -21.523 -9.608 -7.093 1.00 0.00 C ATOM 870 O VAL B 118 -22.278 -10.412 -7.642 1.00 0.00 O ATOM 871 CB VAL B 118 -19.861 -10.271 -5.353 1.00 0.00 C ATOM 872 CG1 VAL B 118 -20.806 -11.379 -4.915 1.00 0.00 C ATOM 873 CG2 VAL B 118 -18.415 -10.649 -5.077 1.00 0.00 C ATOM 0 H VAL B 118 -18.506 -8.568 -6.579 1.00 0.00 H new ATOM 0 HA VAL B 118 -19.789 -10.827 -7.437 1.00 0.00 H new ATOM 0 HB VAL B 118 -20.095 -9.378 -4.773 1.00 0.00 H new ATOM 0 HG11 VAL B 118 -20.652 -11.591 -3.857 1.00 0.00 H new ATOM 0 HG12 VAL B 118 -21.837 -11.063 -5.076 1.00 0.00 H new ATOM 0 HG13 VAL B 118 -20.607 -12.278 -5.498 1.00 0.00 H new ATOM 0 HG21 VAL B 118 -18.293 -10.872 -4.017 1.00 0.00 H new ATOM 0 HG22 VAL B 118 -18.150 -11.527 -5.665 1.00 0.00 H new ATOM 0 HG23 VAL B 118 -17.763 -9.819 -5.350 1.00 0.00 H new ATOM 883 N PHE B 119 -21.921 -8.408 -6.684 1.00 0.00 N ATOM 884 CA PHE B 119 -23.297 -7.957 -6.859 1.00 0.00 C ATOM 885 C PHE B 119 -23.689 -7.968 -8.334 1.00 0.00 C ATOM 886 O PHE B 119 -24.694 -8.567 -8.715 1.00 0.00 O ATOM 887 CB PHE B 119 -23.473 -6.551 -6.283 1.00 0.00 C ATOM 888 CG PHE B 119 -24.812 -6.329 -5.642 1.00 0.00 C ATOM 889 CD1 PHE B 119 -25.078 -6.818 -4.373 1.00 0.00 C ATOM 890 CD2 PHE B 119 -25.807 -5.630 -6.308 1.00 0.00 C ATOM 891 CE1 PHE B 119 -26.310 -6.615 -3.780 1.00 0.00 C ATOM 892 CE2 PHE B 119 -27.040 -5.424 -5.719 1.00 0.00 C ATOM 893 CZ PHE B 119 -27.293 -5.918 -4.454 1.00 0.00 C ATOM 0 H PHE B 119 -21.310 -7.730 -6.229 1.00 0.00 H new ATOM 0 HA PHE B 119 -23.950 -8.645 -6.322 1.00 0.00 H new ATOM 0 HB2 PHE B 119 -22.691 -6.369 -5.545 1.00 0.00 H new ATOM 0 HB3 PHE B 119 -23.335 -5.821 -7.080 1.00 0.00 H new ATOM 0 HD1 PHE B 119 -24.313 -7.364 -3.841 1.00 0.00 H new ATOM 0 HD2 PHE B 119 -25.616 -5.242 -7.298 1.00 0.00 H new ATOM 0 HE1 PHE B 119 -26.504 -7.001 -2.790 1.00 0.00 H new ATOM 0 HE2 PHE B 119 -27.806 -4.877 -6.248 1.00 0.00 H new ATOM 0 HZ PHE B 119 -28.257 -5.759 -3.994 1.00 0.00 H new ATOM 903 N ALA B 120 -22.888 -7.300 -9.157 1.00 0.00 N ATOM 904 CA ALA B 120 -23.150 -7.233 -10.590 1.00 0.00 C ATOM 905 C ALA B 120 -23.177 -8.628 -11.208 1.00 0.00 C ATOM 906 O ALA B 120 -23.985 -8.908 -12.094 1.00 0.00 O ATOM 907 CB ALA B 120 -22.103 -6.369 -11.278 1.00 0.00 C ATOM 0 H ALA B 120 -22.053 -6.798 -8.857 1.00 0.00 H new ATOM 0 HA ALA B 120 -24.131 -6.780 -10.735 1.00 0.00 H new ATOM 0 HB1 ALA B 120 -22.311 -6.328 -12.347 1.00 0.00 H new ATOM 0 HB2 ALA B 120 -22.133 -5.361 -10.863 1.00 0.00 H new ATOM 0 HB3 ALA B 120 -21.114 -6.798 -11.117 1.00 0.00 H new ATOM 913 N CYS B 121 -22.290 -9.496 -10.737 1.00 0.00 N ATOM 914 CA CYS B 121 -22.212 -10.861 -11.245 1.00 0.00 C ATOM 915 C CYS B 121 -23.543 -11.585 -11.068 1.00 0.00 C ATOM 916 O CYS B 121 -24.020 -12.260 -11.981 1.00 0.00 O ATOM 917 CB CYS B 121 -21.100 -11.631 -10.530 1.00 0.00 C ATOM 918 SG CYS B 121 -19.430 -11.164 -11.043 1.00 0.00 S ATOM 0 H CYS B 121 -21.614 -9.279 -10.004 1.00 0.00 H new ATOM 0 HA CYS B 121 -21.984 -10.813 -12.310 1.00 0.00 H new ATOM 0 HB2 CYS B 121 -21.196 -11.473 -9.456 1.00 0.00 H new ATOM 0 HB3 CYS B 121 -21.238 -12.697 -10.709 1.00 0.00 H new ATOM 0 HG CYS B 121 -19.109 -10.030 -10.495 1.00 0.00 H new ATOM 924 N LEU B 122 -24.136 -11.440 -9.889 1.00 0.00 N ATOM 925 CA LEU B 122 -25.412 -12.081 -9.590 1.00 0.00 C ATOM 926 C LEU B 122 -26.521 -11.526 -10.479 1.00 0.00 C ATOM 927 O LEU B 122 -27.368 -12.272 -10.972 1.00 0.00 O ATOM 928 CB LEU B 122 -25.775 -11.880 -8.118 1.00 0.00 C ATOM 929 CG LEU B 122 -25.438 -13.039 -7.180 1.00 0.00 C ATOM 930 CD1 LEU B 122 -25.835 -12.701 -5.751 1.00 0.00 C ATOM 931 CD2 LEU B 122 -26.130 -14.315 -7.639 1.00 0.00 C ATOM 0 H LEU B 122 -23.754 -10.884 -9.124 1.00 0.00 H new ATOM 0 HA LEU B 122 -25.310 -13.148 -9.790 1.00 0.00 H new ATOM 0 HB2 LEU B 122 -25.265 -10.987 -7.757 1.00 0.00 H new ATOM 0 HB3 LEU B 122 -26.845 -11.685 -8.052 1.00 0.00 H new ATOM 0 HG LEU B 122 -24.361 -13.203 -7.208 1.00 0.00 H new ATOM 0 HD11 LEU B 122 -25.588 -13.537 -5.097 1.00 0.00 H new ATOM 0 HD12 LEU B 122 -25.295 -11.813 -5.424 1.00 0.00 H new ATOM 0 HD13 LEU B 122 -26.907 -12.510 -5.707 1.00 0.00 H new ATOM 0 HD21 LEU B 122 -25.879 -15.130 -6.960 1.00 0.00 H new ATOM 0 HD22 LEU B 122 -27.209 -14.163 -7.640 1.00 0.00 H new ATOM 0 HD23 LEU B 122 -25.798 -14.567 -8.646 1.00 0.00 H new ATOM 943 N PHE B 123 -26.508 -10.213 -10.682 1.00 0.00 N ATOM 944 CA PHE B 123 -27.511 -9.558 -11.513 1.00 0.00 C ATOM 945 C PHE B 123 -27.533 -10.159 -12.915 1.00 0.00 C ATOM 946 O PHE B 123 -28.596 -10.477 -13.452 1.00 0.00 O ATOM 947 CB PHE B 123 -27.236 -8.055 -11.595 1.00 0.00 C ATOM 948 CG PHE B 123 -28.265 -7.298 -12.383 1.00 0.00 C ATOM 949 CD1 PHE B 123 -29.582 -7.727 -12.420 1.00 0.00 C ATOM 950 CD2 PHE B 123 -27.916 -6.158 -13.089 1.00 0.00 C ATOM 951 CE1 PHE B 123 -30.531 -7.033 -13.146 1.00 0.00 C ATOM 952 CE2 PHE B 123 -28.861 -5.460 -13.817 1.00 0.00 C ATOM 953 CZ PHE B 123 -30.170 -5.897 -13.845 1.00 0.00 C ATOM 0 H PHE B 123 -25.814 -9.582 -10.282 1.00 0.00 H new ATOM 0 HA PHE B 123 -28.486 -9.717 -11.053 1.00 0.00 H new ATOM 0 HB2 PHE B 123 -27.191 -7.647 -10.585 1.00 0.00 H new ATOM 0 HB3 PHE B 123 -26.256 -7.897 -12.046 1.00 0.00 H new ATOM 0 HD1 PHE B 123 -29.870 -8.614 -11.875 1.00 0.00 H new ATOM 0 HD2 PHE B 123 -26.894 -5.811 -13.070 1.00 0.00 H new ATOM 0 HE1 PHE B 123 -31.554 -7.378 -13.167 1.00 0.00 H new ATOM 0 HE2 PHE B 123 -28.575 -4.573 -14.364 1.00 0.00 H new ATOM 0 HZ PHE B 123 -30.910 -5.352 -14.412 1.00 0.00 H new ATOM 963 N LEU B 124 -26.353 -10.312 -13.505 1.00 0.00 N ATOM 964 CA LEU B 124 -26.233 -10.874 -14.847 1.00 0.00 C ATOM 965 C LEU B 124 -26.589 -12.357 -14.848 1.00 0.00 C ATOM 966 O LEU B 124 -27.065 -12.891 -15.850 1.00 0.00 O ATOM 967 CB LEU B 124 -24.813 -10.678 -15.379 1.00 0.00 C ATOM 968 CG LEU B 124 -24.498 -9.297 -15.957 1.00 0.00 C ATOM 969 CD1 LEU B 124 -23.101 -8.855 -15.549 1.00 0.00 C ATOM 970 CD2 LEU B 124 -24.636 -9.308 -17.472 1.00 0.00 C ATOM 0 H LEU B 124 -25.464 -10.055 -13.075 1.00 0.00 H new ATOM 0 HA LEU B 124 -26.933 -10.350 -15.498 1.00 0.00 H new ATOM 0 HB2 LEU B 124 -24.112 -10.880 -14.569 1.00 0.00 H new ATOM 0 HB3 LEU B 124 -24.630 -11.424 -16.152 1.00 0.00 H new ATOM 0 HG LEU B 124 -25.215 -8.582 -15.553 1.00 0.00 H new ATOM 0 HD11 LEU B 124 -22.894 -7.871 -15.969 1.00 0.00 H new ATOM 0 HD12 LEU B 124 -23.038 -8.806 -14.462 1.00 0.00 H new ATOM 0 HD13 LEU B 124 -22.369 -9.571 -15.923 1.00 0.00 H new ATOM 0 HD21 LEU B 124 -24.408 -8.317 -17.865 1.00 0.00 H new ATOM 0 HD22 LEU B 124 -23.943 -10.035 -17.895 1.00 0.00 H new ATOM 0 HD23 LEU B 124 -25.656 -9.580 -17.742 1.00 0.00 H new ATOM 982 N SER B 125 -26.356 -13.018 -13.718 1.00 0.00 N ATOM 983 CA SER B 125 -26.650 -14.441 -13.590 1.00 0.00 C ATOM 984 C SER B 125 -28.154 -14.679 -13.499 1.00 0.00 C ATOM 985 O SER B 125 -28.677 -15.646 -14.055 1.00 0.00 O ATOM 986 CB SER B 125 -25.956 -15.017 -12.353 1.00 0.00 C ATOM 987 OG SER B 125 -24.548 -15.019 -12.515 1.00 0.00 O ATOM 0 H SER B 125 -25.965 -12.591 -12.878 1.00 0.00 H new ATOM 0 HA SER B 125 -26.273 -14.946 -14.479 1.00 0.00 H new ATOM 0 HB2 SER B 125 -26.224 -14.429 -11.475 1.00 0.00 H new ATOM 0 HB3 SER B 125 -26.307 -16.034 -12.175 1.00 0.00 H new ATOM 0 HG SER B 125 -24.200 -14.116 -12.362 1.00 0.00 H new ATOM 993 N THR B 126 -28.847 -13.788 -12.796 1.00 0.00 N ATOM 994 CA THR B 126 -30.291 -13.900 -12.631 1.00 0.00 C ATOM 995 C THR B 126 -31.016 -13.640 -13.946 1.00 0.00 C ATOM 996 O THR B 126 -31.891 -14.408 -14.346 1.00 0.00 O ATOM 997 CB THR B 126 -30.812 -12.916 -11.567 1.00 0.00 C ATOM 998 OG1 THR B 126 -30.120 -13.120 -10.330 1.00 0.00 O ATOM 999 CG2 THR B 126 -32.308 -13.093 -11.353 1.00 0.00 C ATOM 0 H THR B 126 -28.431 -12.981 -12.332 1.00 0.00 H new ATOM 0 HA THR B 126 -30.494 -14.919 -12.303 1.00 0.00 H new ATOM 0 HB THR B 126 -30.629 -11.902 -11.921 1.00 0.00 H new ATOM 0 HG1 THR B 126 -29.176 -12.881 -10.440 1.00 0.00 H new ATOM 0 HG21 THR B 126 -32.653 -12.388 -10.597 1.00 0.00 H new ATOM 0 HG22 THR B 126 -32.834 -12.908 -12.290 1.00 0.00 H new ATOM 0 HG23 THR B 126 -32.510 -14.111 -11.019 1.00 0.00 H new ATOM 1007 N LEU B 127 -30.647 -12.553 -14.614 1.00 0.00 N ATOM 1008 CA LEU B 127 -31.263 -12.192 -15.887 1.00 0.00 C ATOM 1009 C LEU B 127 -31.056 -13.291 -16.924 1.00 0.00 C ATOM 1010 O LEU B 127 -32.010 -13.760 -17.546 1.00 0.00 O ATOM 1011 CB LEU B 127 -30.681 -10.874 -16.402 1.00 0.00 C ATOM 1012 CG LEU B 127 -30.757 -9.686 -15.442 1.00 0.00 C ATOM 1013 CD1 LEU B 127 -29.644 -8.692 -15.734 1.00 0.00 C ATOM 1014 CD2 LEU B 127 -32.117 -9.010 -15.538 1.00 0.00 C ATOM 0 H LEU B 127 -29.925 -11.906 -14.296 1.00 0.00 H new ATOM 0 HA LEU B 127 -32.334 -12.070 -15.722 1.00 0.00 H new ATOM 0 HB2 LEU B 127 -29.635 -11.039 -16.662 1.00 0.00 H new ATOM 0 HB3 LEU B 127 -31.200 -10.606 -17.322 1.00 0.00 H new ATOM 0 HG LEU B 127 -30.628 -10.056 -14.425 1.00 0.00 H new ATOM 0 HD11 LEU B 127 -29.714 -7.853 -15.041 1.00 0.00 H new ATOM 0 HD12 LEU B 127 -28.678 -9.182 -15.614 1.00 0.00 H new ATOM 0 HD13 LEU B 127 -29.741 -8.327 -16.756 1.00 0.00 H new ATOM 0 HD21 LEU B 127 -32.154 -8.167 -14.848 1.00 0.00 H new ATOM 0 HD22 LEU B 127 -32.275 -8.653 -16.556 1.00 0.00 H new ATOM 0 HD23 LEU B 127 -32.898 -9.725 -15.279 1.00 0.00 H new ATOM 1026 N LEU B 128 -29.805 -13.700 -17.104 1.00 0.00 N ATOM 1027 CA LEU B 128 -29.472 -14.747 -18.064 1.00 0.00 C ATOM 1028 C LEU B 128 -30.307 -15.999 -17.814 1.00 0.00 C ATOM 1029 O LEU B 128 -30.883 -16.569 -18.742 1.00 0.00 O ATOM 1030 CB LEU B 128 -27.983 -15.088 -17.982 1.00 0.00 C ATOM 1031 CG LEU B 128 -27.058 -14.273 -18.886 1.00 0.00 C ATOM 1032 CD1 LEU B 128 -25.602 -14.556 -18.552 1.00 0.00 C ATOM 1033 CD2 LEU B 128 -27.340 -14.575 -20.350 1.00 0.00 C ATOM 0 H LEU B 128 -29.004 -13.322 -16.598 1.00 0.00 H new ATOM 0 HA LEU B 128 -29.698 -14.375 -19.063 1.00 0.00 H new ATOM 0 HB2 LEU B 128 -27.657 -14.958 -16.950 1.00 0.00 H new ATOM 0 HB3 LEU B 128 -27.858 -16.143 -18.225 1.00 0.00 H new ATOM 0 HG LEU B 128 -27.251 -13.214 -18.711 1.00 0.00 H new ATOM 0 HD11 LEU B 128 -24.958 -13.967 -19.205 1.00 0.00 H new ATOM 0 HD12 LEU B 128 -25.408 -14.288 -17.513 1.00 0.00 H new ATOM 0 HD13 LEU B 128 -25.395 -15.616 -18.698 1.00 0.00 H new ATOM 0 HD21 LEU B 128 -26.672 -13.986 -20.978 1.00 0.00 H new ATOM 0 HD22 LEU B 128 -27.176 -15.636 -20.541 1.00 0.00 H new ATOM 0 HD23 LEU B 128 -28.374 -14.320 -20.581 1.00 0.00 H new