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= 0.422 USER MOD Single : A 25 SER OG : rot 79:sc= 0.828 USER MOD Single : A 26 THR OG1 : rot 68:sc= 0.904 USER MOD Single : B 121 CYS SG : rot 75:sc= 0.446 USER MOD Single : B 125 SER OG : rot 81:sc= 0.838 USER MOD Single : B 126 THR OG1 : rot 67:sc= 1.04 USER MOD ----------------------------------------------------------------- ATOM 171 N VAL A 12 -14.458 2.998 -12.243 1.00 0.00 N ATOM 172 CA VAL A 12 -14.887 1.667 -11.834 1.00 0.00 C ATOM 173 C VAL A 12 -16.075 1.741 -10.883 1.00 0.00 C ATOM 174 O VAL A 12 -17.100 1.095 -11.100 1.00 0.00 O ATOM 175 CB VAL A 12 -13.743 0.892 -11.152 1.00 0.00 C ATOM 176 CG1 VAL A 12 -14.218 -0.485 -10.715 1.00 0.00 C ATOM 177 CG2 VAL A 12 -12.546 0.783 -12.082 1.00 0.00 C ATOM 0 HA VAL A 12 -15.183 1.138 -12.740 1.00 0.00 H new ATOM 0 HB VAL A 12 -13.433 1.442 -10.263 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -13.397 -1.018 -10.235 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -15.042 -0.379 -10.010 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.556 -1.047 -11.586 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.747 0.233 -11.584 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -12.838 0.256 -12.991 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.193 1.782 -12.339 1.00 0.00 H new ATOM 187 N ALA A 13 -15.931 2.533 -9.825 1.00 0.00 N ATOM 188 CA ALA A 13 -16.993 2.693 -8.840 1.00 0.00 C ATOM 189 C ALA A 13 -18.280 3.183 -9.495 1.00 0.00 C ATOM 190 O ALA A 13 -19.378 2.790 -9.102 1.00 0.00 O ATOM 191 CB ALA A 13 -16.557 3.657 -7.746 1.00 0.00 C ATOM 0 H ALA A 13 -15.089 3.074 -9.629 1.00 0.00 H new ATOM 0 HA ALA A 13 -17.191 1.718 -8.394 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -17.360 3.767 -7.017 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -15.668 3.267 -7.250 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -16.331 4.628 -8.186 1.00 0.00 H new ATOM 197 N VAL A 14 -18.138 4.045 -10.498 1.00 0.00 N ATOM 198 CA VAL A 14 -19.289 4.589 -11.209 1.00 0.00 C ATOM 199 C VAL A 14 -20.035 3.494 -11.964 1.00 0.00 C ATOM 200 O VAL A 14 -21.228 3.280 -11.749 1.00 0.00 O ATOM 201 CB VAL A 14 -18.868 5.687 -12.202 1.00 0.00 C ATOM 202 CG1 VAL A 14 -20.074 6.198 -12.976 1.00 0.00 C ATOM 203 CG2 VAL A 14 -18.169 6.825 -11.473 1.00 0.00 C ATOM 0 H VAL A 14 -17.236 4.381 -10.836 1.00 0.00 H new ATOM 0 HA VAL A 14 -19.949 5.024 -10.458 1.00 0.00 H new ATOM 0 HB VAL A 14 -18.165 5.258 -12.915 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -19.757 6.974 -13.673 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -20.526 5.375 -13.530 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -20.804 6.612 -12.280 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -17.878 7.592 -12.190 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -18.847 7.256 -10.736 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -17.281 6.443 -10.970 1.00 0.00 H new ATOM 213 N GLY A 15 -19.324 2.803 -12.850 1.00 0.00 N ATOM 214 CA GLY A 15 -19.935 1.739 -13.624 1.00 0.00 C ATOM 215 C GLY A 15 -20.493 0.634 -12.749 1.00 0.00 C ATOM 216 O GLY A 15 -21.666 0.275 -12.862 1.00 0.00 O ATOM 0 H GLY A 15 -18.335 2.961 -13.045 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -20.736 2.153 -14.236 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -19.196 1.320 -14.307 1.00 0.00 H new ATOM 220 N LEU A 16 -19.652 0.090 -11.877 1.00 0.00 N ATOM 221 CA LEU A 16 -20.067 -0.983 -10.980 1.00 0.00 C ATOM 222 C LEU A 16 -21.329 -0.596 -10.215 1.00 0.00 C ATOM 223 O LEU A 16 -22.315 -1.331 -10.212 1.00 0.00 O ATOM 224 CB LEU A 16 -18.944 -1.317 -9.998 1.00 0.00 C ATOM 225 CG LEU A 16 -17.944 -2.379 -10.457 1.00 0.00 C ATOM 226 CD1 LEU A 16 -16.733 -2.406 -9.535 1.00 0.00 C ATOM 227 CD2 LEU A 16 -18.606 -3.747 -10.510 1.00 0.00 C ATOM 0 H LEU A 16 -18.678 0.374 -11.772 1.00 0.00 H new ATOM 0 HA LEU A 16 -20.286 -1.863 -11.584 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -18.396 -0.401 -9.779 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -19.394 -1.650 -9.063 1.00 0.00 H new ATOM 0 HG LEU A 16 -17.605 -2.122 -11.461 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -16.032 -3.168 -9.877 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -16.245 -1.432 -9.547 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -17.054 -2.638 -8.520 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -17.880 -4.490 -10.839 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -18.973 -4.012 -9.519 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -19.440 -3.721 -11.211 1.00 0.00 H new ATOM 239 N ALA A 17 -21.290 0.564 -9.569 1.00 0.00 N ATOM 240 CA ALA A 17 -22.431 1.051 -8.804 1.00 0.00 C ATOM 241 C ALA A 17 -23.704 1.032 -9.644 1.00 0.00 C ATOM 242 O ALA A 17 -24.727 0.491 -9.226 1.00 0.00 O ATOM 243 CB ALA A 17 -22.160 2.457 -8.287 1.00 0.00 C ATOM 0 H ALA A 17 -20.480 1.184 -9.560 1.00 0.00 H new ATOM 0 HA ALA A 17 -22.577 0.385 -7.954 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -23.021 2.808 -7.718 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -21.280 2.445 -7.644 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -21.985 3.127 -9.129 1.00 0.00 H new ATOM 249 N VAL A 18 -23.634 1.627 -10.831 1.00 0.00 N ATOM 250 CA VAL A 18 -24.780 1.677 -11.730 1.00 0.00 C ATOM 251 C VAL A 18 -25.382 0.291 -11.929 1.00 0.00 C ATOM 252 O VAL A 18 -26.596 0.107 -11.820 1.00 0.00 O ATOM 253 CB VAL A 18 -24.392 2.259 -13.102 1.00 0.00 C ATOM 254 CG1 VAL A 18 -25.587 2.249 -14.044 1.00 0.00 C ATOM 255 CG2 VAL A 18 -23.837 3.666 -12.946 1.00 0.00 C ATOM 0 H VAL A 18 -22.795 2.081 -11.192 1.00 0.00 H new ATOM 0 HA VAL A 18 -25.520 2.328 -11.265 1.00 0.00 H new ATOM 0 HB VAL A 18 -23.613 1.632 -13.536 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -25.294 2.664 -15.008 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -25.934 1.225 -14.180 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -26.390 2.851 -13.619 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -23.568 4.062 -13.925 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -24.592 4.307 -12.491 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -22.952 3.640 -12.310 1.00 0.00 H new ATOM 265 N PHE A 19 -24.528 -0.683 -12.224 1.00 0.00 N ATOM 266 CA PHE A 19 -24.975 -2.054 -12.440 1.00 0.00 C ATOM 267 C PHE A 19 -25.716 -2.584 -11.215 1.00 0.00 C ATOM 268 O PHE A 19 -26.848 -3.055 -11.316 1.00 0.00 O ATOM 269 CB PHE A 19 -23.783 -2.959 -12.760 1.00 0.00 C ATOM 270 CG PHE A 19 -24.088 -4.010 -13.788 1.00 0.00 C ATOM 271 CD1 PHE A 19 -24.077 -3.699 -15.139 1.00 0.00 C ATOM 272 CD2 PHE A 19 -24.382 -5.308 -13.406 1.00 0.00 C ATOM 273 CE1 PHE A 19 -24.357 -4.664 -16.088 1.00 0.00 C ATOM 274 CE2 PHE A 19 -24.663 -6.278 -14.351 1.00 0.00 C ATOM 275 CZ PHE A 19 -24.650 -5.955 -15.693 1.00 0.00 C ATOM 0 H PHE A 19 -23.521 -0.548 -12.319 1.00 0.00 H new ATOM 0 HA PHE A 19 -25.661 -2.056 -13.287 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -22.955 -2.345 -13.115 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -23.449 -3.445 -11.843 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -23.847 -2.692 -15.453 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -24.392 -5.566 -12.357 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -24.347 -4.409 -17.137 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -24.892 -7.286 -14.040 1.00 0.00 H new ATOM 0 HZ PHE A 19 -24.869 -6.711 -16.433 1.00 0.00 H new ATOM 285 N ALA A 20 -25.066 -2.504 -10.058 1.00 0.00 N ATOM 286 CA ALA A 20 -25.662 -2.974 -8.813 1.00 0.00 C ATOM 287 C ALA A 20 -26.970 -2.245 -8.522 1.00 0.00 C ATOM 288 O ALA A 20 -27.932 -2.844 -8.039 1.00 0.00 O ATOM 289 CB ALA A 20 -24.686 -2.792 -7.660 1.00 0.00 C ATOM 0 H ALA A 20 -24.127 -2.118 -9.957 1.00 0.00 H new ATOM 0 HA ALA A 20 -25.884 -4.035 -8.922 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -25.144 -3.147 -6.737 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -23.779 -3.363 -7.858 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -24.436 -1.736 -7.558 1.00 0.00 H new ATOM 295 N CYS A 21 -26.998 -0.950 -8.816 1.00 0.00 N ATOM 296 CA CYS A 21 -28.188 -0.138 -8.582 1.00 0.00 C ATOM 297 C CYS A 21 -29.386 -0.701 -9.342 1.00 0.00 C ATOM 298 O CYS A 21 -30.495 -0.770 -8.810 1.00 0.00 O ATOM 299 CB CYS A 21 -27.934 1.309 -9.005 1.00 0.00 C ATOM 300 SG CYS A 21 -26.870 2.233 -7.873 1.00 0.00 S ATOM 0 H CYS A 21 -26.211 -0.439 -9.217 1.00 0.00 H new ATOM 0 HA CYS A 21 -28.412 -0.162 -7.516 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -27.481 1.312 -9.996 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -28.891 1.825 -9.090 1.00 0.00 H new ATOM 0 HG CYS A 21 -25.630 1.895 -8.069 1.00 0.00 H new ATOM 306 N LEU A 22 -29.155 -1.099 -10.588 1.00 0.00 N ATOM 307 CA LEU A 22 -30.216 -1.655 -11.422 1.00 0.00 C ATOM 308 C LEU A 22 -30.705 -2.987 -10.865 1.00 0.00 C ATOM 309 O LEU A 22 -31.908 -3.253 -10.829 1.00 0.00 O ATOM 310 CB LEU A 22 -29.718 -1.840 -12.856 1.00 0.00 C ATOM 311 CG LEU A 22 -29.939 -0.659 -13.802 1.00 0.00 C ATOM 312 CD1 LEU A 22 -29.361 -0.959 -15.176 1.00 0.00 C ATOM 313 CD2 LEU A 22 -31.422 -0.329 -13.906 1.00 0.00 C ATOM 0 H LEU A 22 -28.244 -1.047 -11.043 1.00 0.00 H new ATOM 0 HA LEU A 22 -31.051 -0.954 -11.421 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -28.651 -2.058 -12.823 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -30.210 -2.716 -13.280 1.00 0.00 H new ATOM 0 HG LEU A 22 -29.421 0.209 -13.395 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -29.528 -0.107 -15.835 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -28.291 -1.145 -15.088 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -29.849 -1.840 -15.592 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -31.561 0.514 -14.583 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -31.961 -1.195 -14.289 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -31.807 -0.069 -12.920 1.00 0.00 H new ATOM 325 N PHE A 23 -29.768 -3.821 -10.429 1.00 0.00 N ATOM 326 CA PHE A 23 -30.104 -5.126 -9.872 1.00 0.00 C ATOM 327 C PHE A 23 -31.046 -4.982 -8.680 1.00 0.00 C ATOM 328 O PHE A 23 -32.049 -5.690 -8.577 1.00 0.00 O ATOM 329 CB PHE A 23 -28.833 -5.865 -9.446 1.00 0.00 C ATOM 330 CG PHE A 23 -29.090 -7.259 -8.947 1.00 0.00 C ATOM 331 CD1 PHE A 23 -30.147 -8.003 -9.444 1.00 0.00 C ATOM 332 CD2 PHE A 23 -28.273 -7.823 -7.980 1.00 0.00 C ATOM 333 CE1 PHE A 23 -30.384 -9.286 -8.987 1.00 0.00 C ATOM 334 CE2 PHE A 23 -28.507 -9.105 -7.520 1.00 0.00 C ATOM 335 CZ PHE A 23 -29.564 -9.837 -8.023 1.00 0.00 C ATOM 0 H PHE A 23 -28.769 -3.617 -10.450 1.00 0.00 H new ATOM 0 HA PHE A 23 -30.610 -5.704 -10.645 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -28.148 -5.911 -10.292 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -28.335 -5.293 -8.663 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -30.793 -7.576 -10.197 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -27.445 -7.255 -7.582 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -31.210 -9.857 -9.384 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -27.863 -9.534 -6.767 1.00 0.00 H new ATOM 0 HZ PHE A 23 -29.749 -10.838 -7.663 1.00 0.00 H new ATOM 345 N LEU A 24 -30.716 -4.062 -7.780 1.00 0.00 N ATOM 346 CA LEU A 24 -31.532 -3.824 -6.595 1.00 0.00 C ATOM 347 C LEU A 24 -32.883 -3.226 -6.974 1.00 0.00 C ATOM 348 O LEU A 24 -33.889 -3.466 -6.307 1.00 0.00 O ATOM 349 CB LEU A 24 -30.800 -2.892 -5.627 1.00 0.00 C ATOM 350 CG LEU A 24 -29.901 -3.569 -4.592 1.00 0.00 C ATOM 351 CD1 LEU A 24 -28.615 -2.779 -4.405 1.00 0.00 C ATOM 352 CD2 LEU A 24 -30.634 -3.723 -3.267 1.00 0.00 C ATOM 0 H LEU A 24 -29.889 -3.469 -7.849 1.00 0.00 H new ATOM 0 HA LEU A 24 -31.706 -4.782 -6.105 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -30.192 -2.201 -6.210 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -31.543 -2.295 -5.098 1.00 0.00 H new ATOM 0 HG LEU A 24 -29.642 -4.563 -4.957 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -27.987 -3.275 -3.665 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -28.082 -2.722 -5.354 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -28.853 -1.772 -4.062 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -29.979 -4.207 -2.543 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -30.923 -2.740 -2.895 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -31.526 -4.333 -3.413 1.00 0.00 H new ATOM 364 N SER A 25 -32.897 -2.445 -8.049 1.00 0.00 N ATOM 365 CA SER A 25 -34.124 -1.810 -8.516 1.00 0.00 C ATOM 366 C SER A 25 -35.062 -2.837 -9.144 1.00 0.00 C ATOM 367 O SER A 25 -36.277 -2.783 -8.954 1.00 0.00 O ATOM 368 CB SER A 25 -33.800 -0.711 -9.531 1.00 0.00 C ATOM 369 OG SER A 25 -33.112 0.364 -8.916 1.00 0.00 O ATOM 0 H SER A 25 -32.073 -2.237 -8.613 1.00 0.00 H new ATOM 0 HA SER A 25 -34.624 -1.365 -7.656 1.00 0.00 H new ATOM 0 HB2 SER A 25 -33.192 -1.123 -10.336 1.00 0.00 H new ATOM 0 HB3 SER A 25 -34.722 -0.346 -9.983 1.00 0.00 H new ATOM 0 HG SER A 25 -32.168 0.126 -8.803 1.00 0.00 H new ATOM 375 N THR A 26 -34.489 -3.773 -9.893 1.00 0.00 N ATOM 376 CA THR A 26 -35.271 -4.812 -10.550 1.00 0.00 C ATOM 377 C THR A 26 -35.934 -5.730 -9.530 1.00 0.00 C ATOM 378 O THR A 26 -37.124 -6.029 -9.629 1.00 0.00 O ATOM 379 CB THR A 26 -34.399 -5.659 -11.496 1.00 0.00 C ATOM 380 OG1 THR A 26 -33.695 -4.808 -12.408 1.00 0.00 O ATOM 381 CG2 THR A 26 -35.251 -6.651 -12.275 1.00 0.00 C ATOM 0 H THR A 26 -33.485 -3.833 -10.060 1.00 0.00 H new ATOM 0 HA THR A 26 -36.040 -4.306 -11.133 1.00 0.00 H new ATOM 0 HB THR A 26 -33.682 -6.215 -10.892 1.00 0.00 H new ATOM 0 HG1 THR A 26 -33.030 -4.281 -11.917 1.00 0.00 H new ATOM 0 HG21 THR A 26 -34.613 -7.238 -12.936 1.00 0.00 H new ATOM 0 HG22 THR A 26 -35.762 -7.316 -11.579 1.00 0.00 H new ATOM 0 HG23 THR A 26 -35.988 -6.110 -12.868 1.00 0.00 H new ATOM 389 N LEU A 27 -35.156 -6.173 -8.548 1.00 0.00 N ATOM 390 CA LEU A 27 -35.668 -7.058 -7.507 1.00 0.00 C ATOM 391 C LEU A 27 -36.692 -6.338 -6.635 1.00 0.00 C ATOM 392 O LEU A 27 -37.675 -6.933 -6.192 1.00 0.00 O ATOM 393 CB LEU A 27 -34.520 -7.576 -6.640 1.00 0.00 C ATOM 394 CG LEU A 27 -33.324 -8.162 -7.392 1.00 0.00 C ATOM 395 CD1 LEU A 27 -32.042 -7.953 -6.600 1.00 0.00 C ATOM 396 CD2 LEU A 27 -33.543 -9.641 -7.674 1.00 0.00 C ATOM 0 H LEU A 27 -34.169 -5.934 -8.451 1.00 0.00 H new ATOM 0 HA LEU A 27 -36.159 -7.902 -7.992 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -34.165 -6.757 -6.015 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -34.913 -8.341 -5.970 1.00 0.00 H new ATOM 0 HG LEU A 27 -33.228 -7.642 -8.345 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -31.201 -8.376 -7.150 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -31.877 -6.886 -6.450 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -32.128 -8.447 -5.632 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -32.682 -10.041 -8.210 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -33.665 -10.177 -6.733 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -34.439 -9.767 -8.282 1.00 0.00 H new ATOM 408 N LEU A 28 -36.457 -5.052 -6.395 1.00 0.00 N ATOM 409 CA LEU A 28 -37.361 -4.248 -5.578 1.00 0.00 C ATOM 410 C LEU A 28 -38.747 -4.178 -6.210 1.00 0.00 C ATOM 411 O LEU A 28 -39.761 -4.311 -5.523 1.00 0.00 O ATOM 412 CB LEU A 28 -36.797 -2.838 -5.398 1.00 0.00 C ATOM 413 CG LEU A 28 -35.840 -2.643 -4.221 1.00 0.00 C ATOM 414 CD1 LEU A 28 -34.986 -1.402 -4.427 1.00 0.00 C ATOM 415 CD2 LEU A 28 -36.614 -2.550 -2.914 1.00 0.00 C ATOM 0 H LEU A 28 -35.649 -4.544 -6.754 1.00 0.00 H new ATOM 0 HA LEU A 28 -37.451 -4.724 -4.601 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -36.277 -2.557 -6.314 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -37.632 -2.147 -5.280 1.00 0.00 H new ATOM 0 HG LEU A 28 -35.179 -3.508 -4.168 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -34.311 -1.280 -3.580 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -34.403 -1.509 -5.342 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -35.630 -0.526 -4.507 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -35.917 -2.411 -2.087 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -37.299 -1.704 -2.956 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -37.181 -3.468 -2.761 1.00 0.00 H new ATOM 427 N LEU A 29 -38.784 -3.969 -7.521 1.00 0.00 N ATOM 428 CA LEU A 29 -40.048 -3.883 -8.246 1.00 0.00 C ATOM 429 C LEU A 29 -40.738 -5.242 -8.300 1.00 0.00 C ATOM 430 O LEU A 29 -41.958 -5.336 -8.168 1.00 0.00 O ATOM 431 CB LEU A 29 -39.809 -3.362 -9.665 1.00 0.00 C ATOM 432 CG LEU A 29 -39.855 -1.844 -9.839 1.00 0.00 C ATOM 433 CD1 LEU A 29 -39.357 -1.450 -11.221 1.00 0.00 C ATOM 434 CD2 LEU A 29 -41.265 -1.322 -9.609 1.00 0.00 C ATOM 0 H LEU A 29 -37.955 -3.856 -8.104 1.00 0.00 H new ATOM 0 HA LEU A 29 -40.698 -3.188 -7.715 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -38.835 -3.717 -10.002 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -40.555 -3.806 -10.324 1.00 0.00 H new ATOM 0 HG LEU A 29 -39.197 -1.393 -9.096 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -39.397 -0.366 -11.327 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -38.329 -1.789 -11.348 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -39.988 -1.912 -11.980 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -41.278 -0.240 -9.737 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -41.944 -1.781 -10.327 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -41.585 -1.571 -8.597 1.00 0.00 H new ATOM 446 N VAL A 30 -39.949 -6.294 -8.494 1.00 0.00 N ATOM 447 CA VAL A 30 -40.484 -7.648 -8.562 1.00 0.00 C ATOM 448 C VAL A 30 -41.287 -7.986 -7.311 1.00 0.00 C ATOM 449 O VAL A 30 -42.411 -8.483 -7.396 1.00 0.00 O ATOM 450 CB VAL A 30 -39.361 -8.687 -8.734 1.00 0.00 C ATOM 451 CG1 VAL A 30 -39.845 -10.071 -8.326 1.00 0.00 C ATOM 452 CG2 VAL A 30 -38.855 -8.692 -10.169 1.00 0.00 C ATOM 0 H VAL A 30 -38.937 -6.234 -8.607 1.00 0.00 H new ATOM 0 HA VAL A 30 -41.140 -7.685 -9.432 1.00 0.00 H new ATOM 0 HB VAL A 30 -38.533 -8.411 -8.081 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -39.037 -10.791 -8.455 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -40.154 -10.055 -7.281 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -40.691 -10.359 -8.950 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -38.062 -9.432 -10.272 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -39.674 -8.942 -10.843 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -38.466 -7.705 -10.421 1.00 0.00 H new ATOM 462 N LEU A 31 -40.704 -7.713 -6.149 1.00 0.00 N ATOM 463 CA LEU A 31 -41.365 -7.987 -4.878 1.00 0.00 C ATOM 464 C LEU A 31 -42.585 -7.089 -4.694 1.00 0.00 C ATOM 465 O LEU A 31 -43.665 -7.561 -4.342 1.00 0.00 O ATOM 466 CB LEU A 31 -40.388 -7.782 -3.718 1.00 0.00 C ATOM 467 CG LEU A 31 -39.440 -8.945 -3.427 1.00 0.00 C ATOM 468 CD1 LEU A 31 -38.397 -8.538 -2.396 1.00 0.00 C ATOM 469 CD2 LEU A 31 -40.218 -10.162 -2.950 1.00 0.00 C ATOM 0 H LEU A 31 -39.775 -7.302 -6.061 1.00 0.00 H new ATOM 0 HA LEU A 31 -41.698 -9.025 -4.886 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -39.790 -6.895 -3.925 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -40.964 -7.574 -2.816 1.00 0.00 H new ATOM 0 HG LEU A 31 -38.925 -9.208 -4.351 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -37.731 -9.378 -2.201 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -37.818 -7.697 -2.777 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -38.894 -8.247 -1.471 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -39.526 -10.980 -2.748 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -40.761 -9.912 -2.038 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -40.925 -10.467 -3.721 1.00 0.00 H new ATOM 789 N VAL B 112 -13.930 -2.988 -2.464 1.00 0.00 N ATOM 790 CA VAL B 112 -14.925 -2.313 -3.288 1.00 0.00 C ATOM 791 C VAL B 112 -15.165 -3.070 -4.590 1.00 0.00 C ATOM 792 O VAL B 112 -16.299 -3.423 -4.915 1.00 0.00 O ATOM 793 CB VAL B 112 -14.498 -0.871 -3.617 1.00 0.00 C ATOM 794 CG1 VAL B 112 -15.539 -0.191 -4.492 1.00 0.00 C ATOM 795 CG2 VAL B 112 -14.264 -0.080 -2.339 1.00 0.00 C ATOM 0 HA VAL B 112 -15.849 -2.287 -2.710 1.00 0.00 H new ATOM 0 HB VAL B 112 -13.561 -0.906 -4.172 1.00 0.00 H new ATOM 0 HG11 VAL B 112 -15.219 0.827 -4.714 1.00 0.00 H new ATOM 0 HG12 VAL B 112 -15.651 -0.747 -5.423 1.00 0.00 H new ATOM 0 HG13 VAL B 112 -16.494 -0.165 -3.968 1.00 0.00 H new ATOM 0 HG21 VAL B 112 -13.963 0.937 -2.591 1.00 0.00 H new ATOM 0 HG22 VAL B 112 -15.184 -0.052 -1.755 1.00 0.00 H new ATOM 0 HG23 VAL B 112 -13.477 -0.557 -1.755 1.00 0.00 H new ATOM 805 N ALA B 113 -14.090 -3.317 -5.332 1.00 0.00 N ATOM 806 CA ALA B 113 -14.184 -4.035 -6.597 1.00 0.00 C ATOM 807 C ALA B 113 -14.731 -5.443 -6.390 1.00 0.00 C ATOM 808 O ALA B 113 -15.495 -5.949 -7.212 1.00 0.00 O ATOM 809 CB ALA B 113 -12.823 -4.088 -7.274 1.00 0.00 C ATOM 0 H ALA B 113 -13.144 -3.030 -5.079 1.00 0.00 H new ATOM 0 HA ALA B 113 -14.878 -3.497 -7.243 1.00 0.00 H new ATOM 0 HB1 ALA B 113 -12.907 -4.627 -8.218 1.00 0.00 H new ATOM 0 HB2 ALA B 113 -12.472 -3.074 -7.465 1.00 0.00 H new ATOM 0 HB3 ALA B 113 -12.113 -4.601 -6.625 1.00 0.00 H new ATOM 815 N VAL B 114 -14.334 -6.071 -5.289 1.00 0.00 N ATOM 816 CA VAL B 114 -14.785 -7.422 -4.974 1.00 0.00 C ATOM 817 C VAL B 114 -16.287 -7.453 -4.716 1.00 0.00 C ATOM 818 O VAL B 114 -17.025 -8.188 -5.372 1.00 0.00 O ATOM 819 CB VAL B 114 -14.052 -7.986 -3.742 1.00 0.00 C ATOM 820 CG1 VAL B 114 -14.571 -9.374 -3.402 1.00 0.00 C ATOM 821 CG2 VAL B 114 -12.550 -8.013 -3.983 1.00 0.00 C ATOM 0 H VAL B 114 -13.701 -5.666 -4.599 1.00 0.00 H new ATOM 0 HA VAL B 114 -14.555 -8.043 -5.840 1.00 0.00 H new ATOM 0 HB VAL B 114 -14.249 -7.333 -2.892 1.00 0.00 H new ATOM 0 HG11 VAL B 114 -14.042 -9.757 -2.529 1.00 0.00 H new ATOM 0 HG12 VAL B 114 -15.638 -9.320 -3.185 1.00 0.00 H new ATOM 0 HG13 VAL B 114 -14.406 -10.041 -4.248 1.00 0.00 H new ATOM 0 HG21 VAL B 114 -12.047 -8.414 -3.103 1.00 0.00 H new ATOM 0 HG22 VAL B 114 -12.331 -8.643 -4.845 1.00 0.00 H new ATOM 0 HG23 VAL B 114 -12.194 -7.001 -4.174 1.00 0.00 H new ATOM 831 N GLY B 115 -16.734 -6.650 -3.756 1.00 0.00 N ATOM 832 CA GLY B 115 -18.147 -6.601 -3.428 1.00 0.00 C ATOM 833 C GLY B 115 -19.003 -6.194 -4.611 1.00 0.00 C ATOM 834 O GLY B 115 -19.946 -6.898 -4.976 1.00 0.00 O ATOM 0 H GLY B 115 -16.143 -6.032 -3.199 1.00 0.00 H new ATOM 0 HA2 GLY B 115 -18.468 -7.579 -3.071 1.00 0.00 H new ATOM 0 HA3 GLY B 115 -18.303 -5.896 -2.611 1.00 0.00 H new ATOM 838 N LEU B 116 -18.677 -5.055 -5.211 1.00 0.00 N ATOM 839 CA LEU B 116 -19.424 -4.553 -6.360 1.00 0.00 C ATOM 840 C LEU B 116 -19.521 -5.615 -7.451 1.00 0.00 C ATOM 841 O LEU B 116 -20.609 -5.917 -7.942 1.00 0.00 O ATOM 842 CB LEU B 116 -18.758 -3.294 -6.916 1.00 0.00 C ATOM 843 CG LEU B 116 -19.233 -1.966 -6.323 1.00 0.00 C ATOM 844 CD1 LEU B 116 -18.276 -0.844 -6.692 1.00 0.00 C ATOM 845 CD2 LEU B 116 -20.643 -1.645 -6.800 1.00 0.00 C ATOM 0 H LEU B 116 -17.900 -4.461 -4.921 1.00 0.00 H new ATOM 0 HA LEU B 116 -20.432 -4.306 -6.027 1.00 0.00 H new ATOM 0 HB2 LEU B 116 -17.683 -3.376 -6.758 1.00 0.00 H new ATOM 0 HB3 LEU B 116 -18.920 -3.267 -7.993 1.00 0.00 H new ATOM 0 HG LEU B 116 -19.249 -2.059 -5.237 1.00 0.00 H new ATOM 0 HD11 LEU B 116 -18.630 0.093 -6.262 1.00 0.00 H new ATOM 0 HD12 LEU B 116 -17.283 -1.070 -6.303 1.00 0.00 H new ATOM 0 HD13 LEU B 116 -18.227 -0.749 -7.777 1.00 0.00 H new ATOM 0 HD21 LEU B 116 -20.966 -0.697 -6.369 1.00 0.00 H new ATOM 0 HD22 LEU B 116 -20.651 -1.571 -7.887 1.00 0.00 H new ATOM 0 HD23 LEU B 116 -21.323 -2.437 -6.485 1.00 0.00 H new ATOM 857 N ALA B 117 -18.377 -6.179 -7.824 1.00 0.00 N ATOM 858 CA ALA B 117 -18.334 -7.209 -8.854 1.00 0.00 C ATOM 859 C ALA B 117 -19.315 -8.335 -8.546 1.00 0.00 C ATOM 860 O ALA B 117 -20.137 -8.703 -9.386 1.00 0.00 O ATOM 861 CB ALA B 117 -16.922 -7.760 -8.991 1.00 0.00 C ATOM 0 H ALA B 117 -17.468 -5.940 -7.428 1.00 0.00 H new ATOM 0 HA ALA B 117 -18.628 -6.754 -9.800 1.00 0.00 H new ATOM 0 HB1 ALA B 117 -16.905 -8.528 -9.764 1.00 0.00 H new ATOM 0 HB2 ALA B 117 -16.242 -6.954 -9.266 1.00 0.00 H new ATOM 0 HB3 ALA B 117 -16.607 -8.193 -8.042 1.00 0.00 H new ATOM 867 N VAL B 118 -19.224 -8.880 -7.336 1.00 0.00 N ATOM 868 CA VAL B 118 -20.104 -9.963 -6.917 1.00 0.00 C ATOM 869 C VAL B 118 -21.566 -9.613 -7.171 1.00 0.00 C ATOM 870 O VAL B 118 -22.317 -10.408 -7.737 1.00 0.00 O ATOM 871 CB VAL B 118 -19.918 -10.292 -5.424 1.00 0.00 C ATOM 872 CG1 VAL B 118 -20.872 -11.397 -4.998 1.00 0.00 C ATOM 873 CG2 VAL B 118 -18.474 -10.682 -5.140 1.00 0.00 C ATOM 0 H VAL B 118 -18.549 -8.588 -6.629 1.00 0.00 H new ATOM 0 HA VAL B 118 -19.834 -10.837 -7.510 1.00 0.00 H new ATOM 0 HB VAL B 118 -20.150 -9.401 -4.841 1.00 0.00 H new ATOM 0 HG11 VAL B 118 -20.726 -11.616 -3.940 1.00 0.00 H new ATOM 0 HG12 VAL B 118 -21.900 -11.074 -5.163 1.00 0.00 H new ATOM 0 HG13 VAL B 118 -20.675 -12.294 -5.585 1.00 0.00 H new ATOM 0 HG21 VAL B 118 -18.361 -10.911 -4.080 1.00 0.00 H new ATOM 0 HG22 VAL B 118 -18.211 -11.559 -5.731 1.00 0.00 H new ATOM 0 HG23 VAL B 118 -17.815 -9.855 -5.405 1.00 0.00 H new ATOM 883 N PHE B 119 -21.964 -8.417 -6.750 1.00 0.00 N ATOM 884 CA PHE B 119 -23.337 -7.961 -6.931 1.00 0.00 C ATOM 885 C PHE B 119 -23.722 -7.968 -8.407 1.00 0.00 C ATOM 886 O PHE B 119 -24.729 -8.560 -8.794 1.00 0.00 O ATOM 887 CB PHE B 119 -23.510 -6.555 -6.353 1.00 0.00 C ATOM 888 CG PHE B 119 -24.851 -6.330 -5.714 1.00 0.00 C ATOM 889 CD1 PHE B 119 -25.115 -6.808 -4.441 1.00 0.00 C ATOM 890 CD2 PHE B 119 -25.846 -5.640 -6.388 1.00 0.00 C ATOM 891 CE1 PHE B 119 -26.347 -6.602 -3.852 1.00 0.00 C ATOM 892 CE2 PHE B 119 -27.081 -5.431 -5.802 1.00 0.00 C ATOM 893 CZ PHE B 119 -27.332 -5.913 -4.533 1.00 0.00 C ATOM 0 H PHE B 119 -21.355 -7.746 -6.281 1.00 0.00 H new ATOM 0 HA PHE B 119 -23.995 -8.648 -6.399 1.00 0.00 H new ATOM 0 HB2 PHE B 119 -22.730 -6.376 -5.613 1.00 0.00 H new ATOM 0 HB3 PHE B 119 -23.368 -5.824 -7.149 1.00 0.00 H new ATOM 0 HD1 PHE B 119 -24.349 -7.347 -3.903 1.00 0.00 H new ATOM 0 HD2 PHE B 119 -25.655 -5.262 -7.381 1.00 0.00 H new ATOM 0 HE1 PHE B 119 -26.541 -6.980 -2.859 1.00 0.00 H new ATOM 0 HE2 PHE B 119 -27.849 -4.891 -6.337 1.00 0.00 H new ATOM 0 HZ PHE B 119 -28.296 -5.752 -4.074 1.00 0.00 H new ATOM 903 N ALA B 120 -22.913 -7.305 -9.226 1.00 0.00 N ATOM 904 CA ALA B 120 -23.167 -7.236 -10.660 1.00 0.00 C ATOM 905 C ALA B 120 -23.196 -8.628 -11.281 1.00 0.00 C ATOM 906 O ALA B 120 -24.008 -8.907 -12.165 1.00 0.00 O ATOM 907 CB ALA B 120 -22.114 -6.373 -11.342 1.00 0.00 C ATOM 0 H ALA B 120 -22.076 -6.808 -8.921 1.00 0.00 H new ATOM 0 HA ALA B 120 -24.146 -6.781 -10.808 1.00 0.00 H new ATOM 0 HB1 ALA B 120 -22.316 -6.330 -12.412 1.00 0.00 H new ATOM 0 HB2 ALA B 120 -22.144 -5.366 -10.927 1.00 0.00 H new ATOM 0 HB3 ALA B 120 -21.127 -6.804 -11.176 1.00 0.00 H new ATOM 913 N CYS B 121 -22.306 -9.497 -10.814 1.00 0.00 N ATOM 914 CA CYS B 121 -22.230 -10.861 -11.326 1.00 0.00 C ATOM 915 C CYS B 121 -23.564 -11.581 -11.158 1.00 0.00 C ATOM 916 O CYS B 121 -24.028 -12.271 -12.066 1.00 0.00 O ATOM 917 CB CYS B 121 -21.125 -11.636 -10.606 1.00 0.00 C ATOM 918 SG CYS B 121 -19.451 -11.161 -11.097 1.00 0.00 S ATOM 0 H CYS B 121 -21.628 -9.282 -10.083 1.00 0.00 H new ATOM 0 HA CYS B 121 -21.997 -10.811 -12.390 1.00 0.00 H new ATOM 0 HB2 CYS B 121 -21.233 -11.488 -9.532 1.00 0.00 H new ATOM 0 HB3 CYS B 121 -21.260 -12.701 -10.796 1.00 0.00 H new ATOM 0 HG CYS B 121 -19.149 -10.017 -10.559 1.00 0.00 H new ATOM 924 N LEU B 122 -24.176 -11.417 -9.991 1.00 0.00 N ATOM 925 CA LEU B 122 -25.457 -12.051 -9.702 1.00 0.00 C ATOM 926 C LEU B 122 -26.557 -11.489 -10.597 1.00 0.00 C ATOM 927 O LEU B 122 -27.401 -12.230 -11.102 1.00 0.00 O ATOM 928 CB LEU B 122 -25.828 -11.852 -8.232 1.00 0.00 C ATOM 929 CG LEU B 122 -25.495 -13.010 -7.291 1.00 0.00 C ATOM 930 CD1 LEU B 122 -25.900 -12.674 -5.865 1.00 0.00 C ATOM 931 CD2 LEU B 122 -26.180 -14.287 -7.756 1.00 0.00 C ATOM 0 H LEU B 122 -23.805 -10.850 -9.229 1.00 0.00 H new ATOM 0 HA LEU B 122 -25.360 -13.118 -9.904 1.00 0.00 H new ATOM 0 HB2 LEU B 122 -25.321 -10.958 -7.868 1.00 0.00 H new ATOM 0 HB3 LEU B 122 -26.899 -11.658 -8.172 1.00 0.00 H new ATOM 0 HG LEU B 122 -24.417 -13.171 -7.311 1.00 0.00 H new ATOM 0 HD11 LEU B 122 -25.655 -13.510 -5.210 1.00 0.00 H new ATOM 0 HD12 LEU B 122 -25.363 -11.785 -5.534 1.00 0.00 H new ATOM 0 HD13 LEU B 122 -26.973 -12.485 -5.826 1.00 0.00 H new ATOM 0 HD21 LEU B 122 -25.932 -15.101 -7.075 1.00 0.00 H new ATOM 0 HD22 LEU B 122 -27.260 -14.138 -7.766 1.00 0.00 H new ATOM 0 HD23 LEU B 122 -25.839 -14.538 -8.761 1.00 0.00 H new ATOM 943 N PHE B 123 -26.542 -10.175 -10.791 1.00 0.00 N ATOM 944 CA PHE B 123 -27.536 -9.513 -11.627 1.00 0.00 C ATOM 945 C PHE B 123 -27.555 -10.113 -13.030 1.00 0.00 C ATOM 946 O PHE B 123 -28.614 -10.440 -13.565 1.00 0.00 O ATOM 947 CB PHE B 123 -27.251 -8.012 -11.705 1.00 0.00 C ATOM 948 CG PHE B 123 -28.272 -7.248 -12.500 1.00 0.00 C ATOM 949 CD1 PHE B 123 -29.588 -7.676 -12.553 1.00 0.00 C ATOM 950 CD2 PHE B 123 -27.914 -6.104 -13.194 1.00 0.00 C ATOM 951 CE1 PHE B 123 -30.530 -6.975 -13.283 1.00 0.00 C ATOM 952 CE2 PHE B 123 -28.851 -5.399 -13.925 1.00 0.00 C ATOM 953 CZ PHE B 123 -30.161 -5.836 -13.970 1.00 0.00 C ATOM 0 H PHE B 123 -25.851 -9.547 -10.380 1.00 0.00 H new ATOM 0 HA PHE B 123 -28.515 -9.666 -11.173 1.00 0.00 H new ATOM 0 HB2 PHE B 123 -27.210 -7.605 -10.695 1.00 0.00 H new ATOM 0 HB3 PHE B 123 -26.268 -7.860 -12.150 1.00 0.00 H new ATOM 0 HD1 PHE B 123 -29.882 -8.567 -12.018 1.00 0.00 H new ATOM 0 HD2 PHE B 123 -26.891 -5.759 -13.163 1.00 0.00 H new ATOM 0 HE1 PHE B 123 -31.553 -7.318 -13.316 1.00 0.00 H new ATOM 0 HE2 PHE B 123 -28.560 -4.507 -14.461 1.00 0.00 H new ATOM 0 HZ PHE B 123 -30.895 -5.287 -14.542 1.00 0.00 H new ATOM 963 N LEU B 124 -26.373 -10.254 -13.621 1.00 0.00 N ATOM 964 CA LEU B 124 -26.251 -10.813 -14.963 1.00 0.00 C ATOM 965 C LEU B 124 -26.634 -12.290 -14.974 1.00 0.00 C ATOM 966 O LEU B 124 -27.155 -12.799 -15.965 1.00 0.00 O ATOM 967 CB LEU B 124 -24.821 -10.641 -15.481 1.00 0.00 C ATOM 968 CG LEU B 124 -24.537 -9.348 -16.247 1.00 0.00 C ATOM 969 CD1 LEU B 124 -23.173 -8.793 -15.868 1.00 0.00 C ATOM 970 CD2 LEU B 124 -24.618 -9.589 -17.747 1.00 0.00 C ATOM 0 H LEU B 124 -25.486 -9.989 -13.192 1.00 0.00 H new ATOM 0 HA LEU B 124 -26.935 -10.274 -15.618 1.00 0.00 H new ATOM 0 HB2 LEU B 124 -24.139 -10.694 -14.632 1.00 0.00 H new ATOM 0 HB3 LEU B 124 -24.587 -11.484 -16.131 1.00 0.00 H new ATOM 0 HG LEU B 124 -25.294 -8.613 -15.976 1.00 0.00 H new ATOM 0 HD11 LEU B 124 -22.988 -7.873 -16.423 1.00 0.00 H new ATOM 0 HD12 LEU B 124 -23.150 -8.583 -14.799 1.00 0.00 H new ATOM 0 HD13 LEU B 124 -22.402 -9.525 -16.111 1.00 0.00 H new ATOM 0 HD21 LEU B 124 -24.413 -8.659 -18.277 1.00 0.00 H new ATOM 0 HD22 LEU B 124 -23.882 -10.340 -18.035 1.00 0.00 H new ATOM 0 HD23 LEU B 124 -25.617 -9.941 -18.005 1.00 0.00 H new ATOM 982 N SER B 125 -26.371 -12.972 -13.864 1.00 0.00 N ATOM 983 CA SER B 125 -26.686 -14.391 -13.745 1.00 0.00 C ATOM 984 C SER B 125 -28.193 -14.606 -13.638 1.00 0.00 C ATOM 985 O SER B 125 -28.735 -15.574 -14.172 1.00 0.00 O ATOM 986 CB SER B 125 -25.986 -14.991 -12.524 1.00 0.00 C ATOM 987 OG SER B 125 -24.579 -14.999 -12.697 1.00 0.00 O ATOM 0 H SER B 125 -25.940 -12.565 -13.034 1.00 0.00 H new ATOM 0 HA SER B 125 -26.327 -14.893 -14.643 1.00 0.00 H new ATOM 0 HB2 SER B 125 -26.243 -14.416 -11.634 1.00 0.00 H new ATOM 0 HB3 SER B 125 -26.341 -16.008 -12.360 1.00 0.00 H new ATOM 0 HG SER B 125 -24.220 -14.109 -12.498 1.00 0.00 H new ATOM 993 N THR B 126 -28.866 -13.695 -12.942 1.00 0.00 N ATOM 994 CA THR B 126 -30.310 -13.783 -12.762 1.00 0.00 C ATOM 995 C THR B 126 -31.043 -13.543 -14.076 1.00 0.00 C ATOM 996 O THR B 126 -31.956 -14.289 -14.435 1.00 0.00 O ATOM 997 CB THR B 126 -30.809 -12.769 -11.716 1.00 0.00 C ATOM 998 OG1 THR B 126 -30.064 -12.912 -10.501 1.00 0.00 O ATOM 999 CG2 THR B 126 -32.290 -12.967 -11.434 1.00 0.00 C ATOM 0 H THR B 126 -28.434 -12.887 -12.493 1.00 0.00 H new ATOM 0 HA THR B 126 -30.523 -14.792 -12.409 1.00 0.00 H new ATOM 0 HB THR B 126 -30.662 -11.766 -12.116 1.00 0.00 H new ATOM 0 HG1 THR B 126 -29.135 -12.639 -10.653 1.00 0.00 H new ATOM 0 HG21 THR B 126 -32.620 -12.239 -10.692 1.00 0.00 H new ATOM 0 HG22 THR B 126 -32.857 -12.829 -12.354 1.00 0.00 H new ATOM 0 HG23 THR B 126 -32.456 -13.975 -11.053 1.00 0.00 H new ATOM 1007 N LEU B 127 -30.640 -12.499 -14.791 1.00 0.00 N ATOM 1008 CA LEU B 127 -31.259 -12.160 -16.069 1.00 0.00 C ATOM 1009 C LEU B 127 -30.989 -13.243 -17.108 1.00 0.00 C ATOM 1010 O LEU B 127 -31.832 -13.525 -17.960 1.00 0.00 O ATOM 1011 CB LEU B 127 -30.736 -10.813 -16.570 1.00 0.00 C ATOM 1012 CG LEU B 127 -30.767 -9.664 -15.562 1.00 0.00 C ATOM 1013 CD1 LEU B 127 -29.621 -8.698 -15.819 1.00 0.00 C ATOM 1014 CD2 LEU B 127 -32.103 -8.937 -15.622 1.00 0.00 C ATOM 0 H LEU B 127 -29.887 -11.872 -14.508 1.00 0.00 H new ATOM 0 HA LEU B 127 -32.336 -12.090 -15.916 1.00 0.00 H new ATOM 0 HB2 LEU B 127 -29.708 -10.947 -16.906 1.00 0.00 H new ATOM 0 HB3 LEU B 127 -31.321 -10.521 -17.442 1.00 0.00 H new ATOM 0 HG LEU B 127 -30.647 -10.080 -14.562 1.00 0.00 H new ATOM 0 HD11 LEU B 127 -29.659 -7.887 -15.092 1.00 0.00 H new ATOM 0 HD12 LEU B 127 -28.672 -9.226 -15.724 1.00 0.00 H new ATOM 0 HD13 LEU B 127 -29.709 -8.288 -16.825 1.00 0.00 H new ATOM 0 HD21 LEU B 127 -32.107 -8.122 -14.898 1.00 0.00 H new ATOM 0 HD22 LEU B 127 -32.253 -8.533 -16.623 1.00 0.00 H new ATOM 0 HD23 LEU B 127 -32.907 -9.634 -15.388 1.00 0.00 H new ATOM 1026 N LEU B 128 -29.808 -13.847 -17.032 1.00 0.00 N ATOM 1027 CA LEU B 128 -29.426 -14.902 -17.966 1.00 0.00 C ATOM 1028 C LEU B 128 -30.223 -16.176 -17.703 1.00 0.00 C ATOM 1029 O LEU B 128 -30.589 -16.896 -18.633 1.00 0.00 O ATOM 1030 CB LEU B 128 -27.929 -15.190 -17.855 1.00 0.00 C ATOM 1031 CG LEU B 128 -27.011 -14.309 -18.703 1.00 0.00 C ATOM 1032 CD1 LEU B 128 -25.594 -14.329 -18.152 1.00 0.00 C ATOM 1033 CD2 LEU B 128 -27.027 -14.764 -20.155 1.00 0.00 C ATOM 0 H LEU B 128 -29.098 -13.625 -16.334 1.00 0.00 H new ATOM 0 HA LEU B 128 -29.649 -14.559 -18.976 1.00 0.00 H new ATOM 0 HB2 LEU B 128 -27.636 -15.086 -16.810 1.00 0.00 H new ATOM 0 HB3 LEU B 128 -27.758 -16.230 -18.132 1.00 0.00 H new ATOM 0 HG LEU B 128 -27.381 -13.285 -18.660 1.00 0.00 H new ATOM 0 HD11 LEU B 128 -24.955 -13.697 -18.768 1.00 0.00 H new ATOM 0 HD12 LEU B 128 -25.596 -13.955 -17.128 1.00 0.00 H new ATOM 0 HD13 LEU B 128 -25.213 -15.350 -18.164 1.00 0.00 H new ATOM 0 HD21 LEU B 128 -26.368 -14.126 -20.744 1.00 0.00 H new ATOM 0 HD22 LEU B 128 -26.682 -15.796 -20.217 1.00 0.00 H new ATOM 0 HD23 LEU B 128 -28.042 -14.697 -20.546 1.00 0.00 H new