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 73:sc= 0.462 USER MOD Single : A 25 SER OG : rot 90:sc= 1.22 USER MOD Single : A 26 THR OG1 : rot 68:sc= 0.6 USER MOD Single : B 121 CYS SG : rot 75:sc= 0.479 USER MOD Single : B 125 SER OG : rot 79:sc= 0.641 USER MOD Single : B 126 THR OG1 : rot 67:sc= 0.714 USER MOD ----------------------------------------------------------------- ATOM 171 N VAL A 12 -14.520 2.942 -12.199 1.00 0.00 N ATOM 172 CA VAL A 12 -14.958 1.617 -11.773 1.00 0.00 C ATOM 173 C VAL A 12 -16.128 1.713 -10.800 1.00 0.00 C ATOM 174 O VAL A 12 -17.172 1.094 -11.007 1.00 0.00 O ATOM 175 CB VAL A 12 -13.812 0.833 -11.107 1.00 0.00 C ATOM 176 CG1 VAL A 12 -14.293 -0.538 -10.660 1.00 0.00 C ATOM 177 CG2 VAL A 12 -12.629 0.710 -12.055 1.00 0.00 C ATOM 0 HA VAL A 12 -15.277 1.085 -12.669 1.00 0.00 H new ATOM 0 HB VAL A 12 -13.484 1.382 -10.224 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -13.470 -1.078 -10.192 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -15.106 -0.422 -9.943 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.649 -1.098 -11.525 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.829 0.153 -11.568 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -12.939 0.184 -12.958 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.270 1.705 -12.320 1.00 0.00 H new ATOM 187 N ALA A 13 -15.946 2.491 -9.739 1.00 0.00 N ATOM 188 CA ALA A 13 -16.987 2.670 -8.735 1.00 0.00 C ATOM 189 C ALA A 13 -18.282 3.165 -9.369 1.00 0.00 C ATOM 190 O ALA A 13 -19.374 2.759 -8.973 1.00 0.00 O ATOM 191 CB ALA A 13 -16.520 3.637 -7.657 1.00 0.00 C ATOM 0 H ALA A 13 -15.087 3.008 -9.552 1.00 0.00 H new ATOM 0 HA ALA A 13 -17.186 1.701 -8.276 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -17.308 3.761 -6.914 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -15.626 3.241 -7.176 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -16.292 4.602 -8.108 1.00 0.00 H new ATOM 197 N VAL A 14 -18.153 4.047 -10.355 1.00 0.00 N ATOM 198 CA VAL A 14 -19.314 4.598 -11.044 1.00 0.00 C ATOM 199 C VAL A 14 -20.056 3.518 -11.822 1.00 0.00 C ATOM 200 O VAL A 14 -21.245 3.289 -11.606 1.00 0.00 O ATOM 201 CB VAL A 14 -18.908 5.726 -12.013 1.00 0.00 C ATOM 202 CG1 VAL A 14 -20.126 6.257 -12.753 1.00 0.00 C ATOM 203 CG2 VAL A 14 -18.200 6.844 -11.262 1.00 0.00 C ATOM 0 H VAL A 14 -17.256 4.395 -10.695 1.00 0.00 H new ATOM 0 HA VAL A 14 -19.973 5.006 -10.277 1.00 0.00 H new ATOM 0 HB VAL A 14 -18.215 5.318 -12.749 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -19.821 7.053 -13.433 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -20.586 5.450 -13.323 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -20.846 6.650 -12.035 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -17.920 7.632 -11.961 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -18.868 7.252 -10.503 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -17.304 6.450 -10.783 1.00 0.00 H new ATOM 213 N GLY A 15 -19.345 2.854 -12.728 1.00 0.00 N ATOM 214 CA GLY A 15 -19.952 1.804 -13.524 1.00 0.00 C ATOM 215 C GLY A 15 -20.501 0.676 -12.674 1.00 0.00 C ATOM 216 O GLY A 15 -21.665 0.295 -12.809 1.00 0.00 O ATOM 0 H GLY A 15 -18.359 3.025 -12.925 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -20.757 2.227 -14.125 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -19.212 1.405 -14.218 1.00 0.00 H new ATOM 220 N LEU A 16 -19.662 0.136 -11.797 1.00 0.00 N ATOM 221 CA LEU A 16 -20.070 -0.958 -10.922 1.00 0.00 C ATOM 222 C LEU A 16 -21.335 -0.596 -10.149 1.00 0.00 C ATOM 223 O LEU A 16 -22.318 -1.335 -10.167 1.00 0.00 O ATOM 224 CB LEU A 16 -18.944 -1.302 -9.945 1.00 0.00 C ATOM 225 CG LEU A 16 -17.944 -2.357 -10.419 1.00 0.00 C ATOM 226 CD1 LEU A 16 -16.746 -2.416 -9.484 1.00 0.00 C ATOM 227 CD2 LEU A 16 -18.613 -3.721 -10.515 1.00 0.00 C ATOM 0 H LEU A 16 -18.696 0.437 -11.673 1.00 0.00 H new ATOM 0 HA LEU A 16 -20.283 -1.827 -11.544 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -18.396 -0.388 -9.716 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -19.391 -1.647 -9.013 1.00 0.00 H new ATOM 0 HG LEU A 16 -17.592 -2.075 -11.411 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -16.045 -3.172 -9.838 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -16.252 -1.445 -9.464 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -17.081 -2.673 -8.479 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -17.886 -4.460 -10.854 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -18.994 -4.009 -9.535 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -19.439 -3.672 -11.225 1.00 0.00 H new ATOM 239 N ALA A 17 -21.302 0.549 -9.474 1.00 0.00 N ATOM 240 CA ALA A 17 -22.446 1.012 -8.700 1.00 0.00 C ATOM 241 C ALA A 17 -23.718 1.003 -9.541 1.00 0.00 C ATOM 242 O ALA A 17 -24.738 0.442 -9.139 1.00 0.00 O ATOM 243 CB ALA A 17 -22.184 2.406 -8.151 1.00 0.00 C ATOM 0 H ALA A 17 -20.495 1.172 -9.448 1.00 0.00 H new ATOM 0 HA ALA A 17 -22.589 0.326 -7.865 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -23.048 2.738 -7.575 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -21.305 2.384 -7.507 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -22.011 3.096 -8.977 1.00 0.00 H new ATOM 249 N VAL A 18 -23.652 1.629 -10.712 1.00 0.00 N ATOM 250 CA VAL A 18 -24.799 1.693 -11.610 1.00 0.00 C ATOM 251 C VAL A 18 -25.393 0.308 -11.842 1.00 0.00 C ATOM 252 O VAL A 18 -26.605 0.115 -11.733 1.00 0.00 O ATOM 253 CB VAL A 18 -24.413 2.307 -12.970 1.00 0.00 C ATOM 254 CG1 VAL A 18 -25.610 2.323 -13.908 1.00 0.00 C ATOM 255 CG2 VAL A 18 -23.855 3.709 -12.781 1.00 0.00 C ATOM 0 H VAL A 18 -22.817 2.099 -11.061 1.00 0.00 H new ATOM 0 HA VAL A 18 -25.542 2.329 -11.129 1.00 0.00 H new ATOM 0 HB VAL A 18 -23.637 1.689 -13.421 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -25.318 2.760 -14.863 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -25.961 1.303 -14.068 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -26.410 2.917 -13.467 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -23.587 4.128 -13.751 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -24.608 4.340 -12.309 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -22.969 3.666 -12.148 1.00 0.00 H new ATOM 265 N PHE A 19 -24.534 -0.654 -12.161 1.00 0.00 N ATOM 266 CA PHE A 19 -24.974 -2.022 -12.408 1.00 0.00 C ATOM 267 C PHE A 19 -25.717 -2.581 -11.197 1.00 0.00 C ATOM 268 O PHE A 19 -26.843 -3.063 -11.315 1.00 0.00 O ATOM 269 CB PHE A 19 -23.777 -2.913 -12.743 1.00 0.00 C ATOM 270 CG PHE A 19 -24.078 -3.957 -13.779 1.00 0.00 C ATOM 271 CD1 PHE A 19 -24.088 -3.632 -15.126 1.00 0.00 C ATOM 272 CD2 PHE A 19 -24.352 -5.263 -13.407 1.00 0.00 C ATOM 273 CE1 PHE A 19 -24.364 -4.590 -16.083 1.00 0.00 C ATOM 274 CE2 PHE A 19 -24.628 -6.226 -14.359 1.00 0.00 C ATOM 275 CZ PHE A 19 -24.635 -5.889 -15.699 1.00 0.00 C ATOM 0 H PHE A 19 -23.528 -0.511 -12.255 1.00 0.00 H new ATOM 0 HA PHE A 19 -25.657 -2.010 -13.257 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -22.957 -2.288 -13.096 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -23.434 -3.404 -11.833 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -23.878 -2.618 -15.432 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -24.350 -5.532 -12.361 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -24.368 -4.323 -17.130 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -24.838 -7.241 -14.056 1.00 0.00 H new ATOM 0 HZ PHE A 19 -24.852 -6.640 -16.445 1.00 0.00 H new ATOM 285 N ALA A 20 -25.077 -2.512 -10.035 1.00 0.00 N ATOM 286 CA ALA A 20 -25.676 -3.009 -8.803 1.00 0.00 C ATOM 287 C ALA A 20 -26.987 -2.291 -8.500 1.00 0.00 C ATOM 288 O ALA A 20 -27.947 -2.904 -8.033 1.00 0.00 O ATOM 289 CB ALA A 20 -24.704 -2.850 -7.642 1.00 0.00 C ATOM 0 H ALA A 20 -24.144 -2.117 -9.921 1.00 0.00 H new ATOM 0 HA ALA A 20 -25.896 -4.068 -8.937 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -25.164 -3.225 -6.728 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -23.795 -3.415 -7.849 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -24.456 -1.796 -7.517 1.00 0.00 H new ATOM 295 N CYS A 21 -27.019 -0.990 -8.768 1.00 0.00 N ATOM 296 CA CYS A 21 -28.211 -0.188 -8.523 1.00 0.00 C ATOM 297 C CYS A 21 -29.405 -0.737 -9.300 1.00 0.00 C ATOM 298 O CYS A 21 -30.519 -0.806 -8.780 1.00 0.00 O ATOM 299 CB CYS A 21 -27.961 1.270 -8.912 1.00 0.00 C ATOM 300 SG CYS A 21 -26.883 2.163 -7.769 1.00 0.00 S ATOM 0 H CYS A 21 -26.232 -0.469 -9.155 1.00 0.00 H new ATOM 0 HA CYS A 21 -28.439 -0.238 -7.458 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -27.520 1.299 -9.908 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -28.918 1.788 -8.972 1.00 0.00 H new ATOM 0 HG CYS A 21 -25.658 1.754 -7.919 1.00 0.00 H new ATOM 306 N LEU A 22 -29.164 -1.122 -10.548 1.00 0.00 N ATOM 307 CA LEU A 22 -30.218 -1.663 -11.398 1.00 0.00 C ATOM 308 C LEU A 22 -30.702 -3.012 -10.876 1.00 0.00 C ATOM 309 O LEU A 22 -31.900 -3.291 -10.861 1.00 0.00 O ATOM 310 CB LEU A 22 -29.716 -1.811 -12.836 1.00 0.00 C ATOM 311 CG LEU A 22 -29.947 -0.609 -13.754 1.00 0.00 C ATOM 312 CD1 LEU A 22 -28.924 -0.594 -14.879 1.00 0.00 C ATOM 313 CD2 LEU A 22 -31.361 -0.632 -14.315 1.00 0.00 C ATOM 0 H LEU A 22 -28.248 -1.070 -10.994 1.00 0.00 H new ATOM 0 HA LEU A 22 -31.056 -0.966 -11.381 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -28.647 -2.020 -12.807 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -30.199 -2.681 -13.281 1.00 0.00 H new ATOM 0 HG LEU A 22 -29.825 0.302 -13.168 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -29.103 0.268 -15.522 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -27.921 -0.530 -14.458 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -29.014 -1.509 -15.465 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -31.508 0.230 -14.966 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -31.511 -1.548 -14.886 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -32.078 -0.594 -13.495 1.00 0.00 H new ATOM 325 N PHE A 23 -29.760 -3.845 -10.444 1.00 0.00 N ATOM 326 CA PHE A 23 -30.089 -5.165 -9.918 1.00 0.00 C ATOM 327 C PHE A 23 -31.066 -5.058 -8.751 1.00 0.00 C ATOM 328 O PHE A 23 -32.093 -5.737 -8.721 1.00 0.00 O ATOM 329 CB PHE A 23 -28.819 -5.891 -9.470 1.00 0.00 C ATOM 330 CG PHE A 23 -29.067 -7.293 -8.993 1.00 0.00 C ATOM 331 CD1 PHE A 23 -30.114 -8.039 -9.508 1.00 0.00 C ATOM 332 CD2 PHE A 23 -28.252 -7.866 -8.031 1.00 0.00 C ATOM 333 CE1 PHE A 23 -30.344 -9.331 -9.073 1.00 0.00 C ATOM 334 CE2 PHE A 23 -28.476 -9.156 -7.591 1.00 0.00 C ATOM 335 CZ PHE A 23 -29.525 -9.890 -8.112 1.00 0.00 C ATOM 0 H PHE A 23 -28.763 -3.629 -10.448 1.00 0.00 H new ATOM 0 HA PHE A 23 -30.564 -5.737 -10.715 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -28.113 -5.918 -10.300 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -28.348 -5.321 -8.669 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -30.759 -7.606 -10.259 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -27.431 -7.297 -7.620 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -31.163 -9.902 -9.484 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -27.832 -9.591 -6.841 1.00 0.00 H new ATOM 0 HZ PHE A 23 -29.704 -10.898 -7.768 1.00 0.00 H new ATOM 345 N LEU A 24 -30.738 -4.200 -7.791 1.00 0.00 N ATOM 346 CA LEU A 24 -31.584 -4.003 -6.620 1.00 0.00 C ATOM 347 C LEU A 24 -32.916 -3.371 -7.011 1.00 0.00 C ATOM 348 O LEU A 24 -33.946 -3.630 -6.387 1.00 0.00 O ATOM 349 CB LEU A 24 -30.871 -3.122 -5.592 1.00 0.00 C ATOM 350 CG LEU A 24 -29.845 -3.825 -4.703 1.00 0.00 C ATOM 351 CD1 LEU A 24 -28.626 -2.940 -4.491 1.00 0.00 C ATOM 352 CD2 LEU A 24 -30.469 -4.205 -3.367 1.00 0.00 C ATOM 0 H LEU A 24 -29.892 -3.630 -7.801 1.00 0.00 H new ATOM 0 HA LEU A 24 -31.781 -4.979 -6.177 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -30.369 -2.313 -6.122 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -31.624 -2.664 -4.951 1.00 0.00 H new ATOM 0 HG LEU A 24 -29.523 -4.738 -5.204 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -27.907 -3.457 -3.856 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -28.166 -2.718 -5.454 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -28.931 -2.010 -4.011 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -29.725 -4.704 -2.747 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -30.819 -3.306 -2.860 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -31.310 -4.877 -3.536 1.00 0.00 H new ATOM 364 N SER A 25 -32.890 -2.541 -8.048 1.00 0.00 N ATOM 365 CA SER A 25 -34.094 -1.870 -8.522 1.00 0.00 C ATOM 366 C SER A 25 -35.061 -2.869 -9.149 1.00 0.00 C ATOM 367 O SER A 25 -36.273 -2.796 -8.937 1.00 0.00 O ATOM 368 CB SER A 25 -33.733 -0.786 -9.539 1.00 0.00 C ATOM 369 OG SER A 25 -33.023 0.275 -8.924 1.00 0.00 O ATOM 0 H SER A 25 -32.047 -2.317 -8.577 1.00 0.00 H new ATOM 0 HA SER A 25 -34.582 -1.406 -7.665 1.00 0.00 H new ATOM 0 HB2 SER A 25 -33.128 -1.218 -10.336 1.00 0.00 H new ATOM 0 HB3 SER A 25 -34.641 -0.400 -10.001 1.00 0.00 H new ATOM 0 HG SER A 25 -32.062 0.084 -8.951 1.00 0.00 H new ATOM 375 N THR A 26 -34.518 -3.804 -9.923 1.00 0.00 N ATOM 376 CA THR A 26 -35.332 -4.818 -10.582 1.00 0.00 C ATOM 377 C THR A 26 -35.967 -5.759 -9.566 1.00 0.00 C ATOM 378 O THR A 26 -37.184 -5.946 -9.554 1.00 0.00 O ATOM 379 CB THR A 26 -34.498 -5.645 -11.580 1.00 0.00 C ATOM 380 OG1 THR A 26 -33.840 -4.775 -12.508 1.00 0.00 O ATOM 381 CG2 THR A 26 -35.379 -6.628 -12.335 1.00 0.00 C ATOM 0 H THR A 26 -33.518 -3.880 -10.109 1.00 0.00 H new ATOM 0 HA THR A 26 -36.117 -4.291 -11.124 1.00 0.00 H new ATOM 0 HB THR A 26 -33.751 -6.207 -11.019 1.00 0.00 H new ATOM 0 HG1 THR A 26 -33.160 -4.249 -12.038 1.00 0.00 H new ATOM 0 HG21 THR A 26 -34.769 -7.201 -13.034 1.00 0.00 H new ATOM 0 HG22 THR A 26 -35.855 -7.307 -11.628 1.00 0.00 H new ATOM 0 HG23 THR A 26 -36.145 -6.082 -12.885 1.00 0.00 H new ATOM 389 N LEU A 27 -35.137 -6.348 -8.712 1.00 0.00 N ATOM 390 CA LEU A 27 -35.619 -7.271 -7.690 1.00 0.00 C ATOM 391 C LEU A 27 -36.734 -6.636 -6.865 1.00 0.00 C ATOM 392 O LEU A 27 -37.783 -7.243 -6.648 1.00 0.00 O ATOM 393 CB LEU A 27 -34.469 -7.695 -6.774 1.00 0.00 C ATOM 394 CG LEU A 27 -33.224 -8.246 -7.472 1.00 0.00 C ATOM 395 CD1 LEU A 27 -31.974 -7.919 -6.669 1.00 0.00 C ATOM 396 CD2 LEU A 27 -33.350 -9.748 -7.679 1.00 0.00 C ATOM 0 H LEU A 27 -34.127 -6.203 -8.707 1.00 0.00 H new ATOM 0 HA LEU A 27 -36.020 -8.152 -8.191 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -34.174 -6.835 -6.173 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -34.840 -8.453 -6.085 1.00 0.00 H new ATOM 0 HG LEU A 27 -33.138 -7.771 -8.449 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -31.098 -8.319 -7.180 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -31.876 -6.838 -6.573 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -32.051 -8.366 -5.678 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -32.456 -10.123 -8.177 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -33.461 -10.240 -6.713 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -34.224 -9.958 -8.296 1.00 0.00 H new ATOM 408 N LEU A 28 -36.499 -5.410 -6.409 1.00 0.00 N ATOM 409 CA LEU A 28 -37.484 -4.691 -5.609 1.00 0.00 C ATOM 410 C LEU A 28 -38.787 -4.511 -6.382 1.00 0.00 C ATOM 411 O LEU A 28 -39.873 -4.748 -5.852 1.00 0.00 O ATOM 412 CB LEU A 28 -36.934 -3.326 -5.193 1.00 0.00 C ATOM 413 CG LEU A 28 -36.021 -3.316 -3.966 1.00 0.00 C ATOM 414 CD1 LEU A 28 -35.212 -2.029 -3.912 1.00 0.00 C ATOM 415 CD2 LEU A 28 -36.837 -3.488 -2.693 1.00 0.00 C ATOM 0 H LEU A 28 -35.636 -4.894 -6.580 1.00 0.00 H new ATOM 0 HA LEU A 28 -37.690 -5.281 -4.716 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -36.383 -2.907 -6.035 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -37.776 -2.661 -5.000 1.00 0.00 H new ATOM 0 HG LEU A 28 -35.328 -4.153 -4.046 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -34.569 -2.040 -3.032 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -34.599 -1.947 -4.809 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -35.888 -1.176 -3.856 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -36.171 -3.479 -1.830 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -37.554 -2.671 -2.607 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -37.371 -4.437 -2.729 1.00 0.00 H new ATOM 427 N LEU A 29 -38.672 -4.094 -7.638 1.00 0.00 N ATOM 428 CA LEU A 29 -39.841 -3.885 -8.485 1.00 0.00 C ATOM 429 C LEU A 29 -40.664 -5.164 -8.602 1.00 0.00 C ATOM 430 O LEU A 29 -41.886 -5.118 -8.745 1.00 0.00 O ATOM 431 CB LEU A 29 -39.410 -3.415 -9.875 1.00 0.00 C ATOM 432 CG LEU A 29 -39.179 -1.911 -10.033 1.00 0.00 C ATOM 433 CD1 LEU A 29 -38.367 -1.625 -11.287 1.00 0.00 C ATOM 434 CD2 LEU A 29 -40.507 -1.169 -10.075 1.00 0.00 C ATOM 0 H LEU A 29 -37.781 -3.894 -8.092 1.00 0.00 H new ATOM 0 HA LEU A 29 -40.461 -3.116 -8.023 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -38.490 -3.934 -10.143 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -40.170 -3.723 -10.593 1.00 0.00 H new ATOM 0 HG LEU A 29 -38.615 -1.557 -9.170 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -38.212 -0.550 -11.383 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -37.401 -2.126 -11.217 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -38.905 -1.994 -12.161 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -40.323 -0.101 -10.188 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -41.097 -1.527 -10.919 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -41.053 -1.348 -9.149 1.00 0.00 H new ATOM 446 N VAL A 30 -39.986 -6.306 -8.537 1.00 0.00 N ATOM 447 CA VAL A 30 -40.656 -7.598 -8.632 1.00 0.00 C ATOM 448 C VAL A 30 -41.358 -7.950 -7.326 1.00 0.00 C ATOM 449 O VAL A 30 -42.549 -8.263 -7.313 1.00 0.00 O ATOM 450 CB VAL A 30 -39.661 -8.720 -8.986 1.00 0.00 C ATOM 451 CG1 VAL A 30 -40.364 -10.069 -9.011 1.00 0.00 C ATOM 452 CG2 VAL A 30 -38.990 -8.435 -10.322 1.00 0.00 C ATOM 0 H VAL A 30 -38.974 -6.363 -8.419 1.00 0.00 H new ATOM 0 HA VAL A 30 -41.396 -7.514 -9.427 1.00 0.00 H new ATOM 0 HB VAL A 30 -38.889 -8.753 -8.217 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -39.646 -10.849 -9.263 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -40.793 -10.274 -8.030 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -41.158 -10.052 -9.758 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -38.291 -9.237 -10.556 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -39.747 -8.374 -11.104 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -38.451 -7.489 -10.264 1.00 0.00 H new ATOM 462 N LEU A 31 -40.614 -7.896 -6.226 1.00 0.00 N ATOM 463 CA LEU A 31 -41.165 -8.210 -4.912 1.00 0.00 C ATOM 464 C LEU A 31 -42.236 -7.199 -4.517 1.00 0.00 C ATOM 465 O LEU A 31 -43.016 -7.436 -3.596 1.00 0.00 O ATOM 466 CB LEU A 31 -40.052 -8.229 -3.863 1.00 0.00 C ATOM 467 CG LEU A 31 -38.942 -9.257 -4.080 1.00 0.00 C ATOM 468 CD1 LEU A 31 -37.592 -8.675 -3.690 1.00 0.00 C ATOM 469 CD2 LEU A 31 -39.226 -10.525 -3.289 1.00 0.00 C ATOM 0 H LEU A 31 -39.627 -7.638 -6.218 1.00 0.00 H new ATOM 0 HA LEU A 31 -41.624 -9.197 -4.962 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -39.599 -7.238 -3.825 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -40.503 -8.411 -2.887 1.00 0.00 H new ATOM 0 HG LEU A 31 -38.913 -9.513 -5.139 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -36.814 -9.421 -3.851 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -37.384 -7.796 -4.301 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -37.609 -8.390 -2.638 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -38.425 -11.245 -3.456 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -39.284 -10.286 -2.227 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -40.173 -10.954 -3.616 1.00 0.00 H new ATOM 789 N VAL B 112 -13.974 -2.976 -2.444 1.00 0.00 N ATOM 790 CA VAL B 112 -15.041 -2.398 -3.252 1.00 0.00 C ATOM 791 C VAL B 112 -15.222 -3.165 -4.556 1.00 0.00 C ATOM 792 O VAL B 112 -16.319 -3.624 -4.871 1.00 0.00 O ATOM 793 CB VAL B 112 -14.762 -0.917 -3.575 1.00 0.00 C ATOM 794 CG1 VAL B 112 -15.880 -0.336 -4.425 1.00 0.00 C ATOM 795 CG2 VAL B 112 -14.584 -0.117 -2.293 1.00 0.00 C ATOM 0 HA VAL B 112 -15.956 -2.468 -2.663 1.00 0.00 H new ATOM 0 HB VAL B 112 -13.836 -0.856 -4.146 1.00 0.00 H new ATOM 0 HG11 VAL B 112 -15.665 0.710 -4.643 1.00 0.00 H new ATOM 0 HG12 VAL B 112 -15.954 -0.893 -5.359 1.00 0.00 H new ATOM 0 HG13 VAL B 112 -16.823 -0.408 -3.884 1.00 0.00 H new ATOM 0 HG21 VAL B 112 -14.388 0.926 -2.540 1.00 0.00 H new ATOM 0 HG22 VAL B 112 -15.492 -0.184 -1.694 1.00 0.00 H new ATOM 0 HG23 VAL B 112 -13.745 -0.520 -1.726 1.00 0.00 H new ATOM 805 N ALA B 113 -14.136 -3.303 -5.311 1.00 0.00 N ATOM 806 CA ALA B 113 -14.174 -4.018 -6.580 1.00 0.00 C ATOM 807 C ALA B 113 -14.710 -5.434 -6.397 1.00 0.00 C ATOM 808 O ALA B 113 -15.459 -5.938 -7.233 1.00 0.00 O ATOM 809 CB ALA B 113 -12.788 -4.053 -7.207 1.00 0.00 C ATOM 0 H ALA B 113 -13.220 -2.929 -5.065 1.00 0.00 H new ATOM 0 HA ALA B 113 -14.850 -3.486 -7.249 1.00 0.00 H new ATOM 0 HB1 ALA B 113 -12.831 -4.590 -8.154 1.00 0.00 H new ATOM 0 HB2 ALA B 113 -12.442 -3.034 -7.383 1.00 0.00 H new ATOM 0 HB3 ALA B 113 -12.097 -4.560 -6.534 1.00 0.00 H new ATOM 815 N VAL B 114 -14.321 -6.072 -5.297 1.00 0.00 N ATOM 816 CA VAL B 114 -14.762 -7.430 -5.005 1.00 0.00 C ATOM 817 C VAL B 114 -16.265 -7.477 -4.751 1.00 0.00 C ATOM 818 O VAL B 114 -16.997 -8.200 -5.425 1.00 0.00 O ATOM 819 CB VAL B 114 -14.028 -8.007 -3.780 1.00 0.00 C ATOM 820 CG1 VAL B 114 -14.531 -9.408 -3.467 1.00 0.00 C ATOM 821 CG2 VAL B 114 -12.525 -8.011 -4.014 1.00 0.00 C ATOM 0 H VAL B 114 -13.701 -5.669 -4.594 1.00 0.00 H new ATOM 0 HA VAL B 114 -14.525 -8.035 -5.880 1.00 0.00 H new ATOM 0 HB VAL B 114 -14.237 -7.371 -2.920 1.00 0.00 H new ATOM 0 HG11 VAL B 114 -14.001 -9.799 -2.599 1.00 0.00 H new ATOM 0 HG12 VAL B 114 -15.599 -9.372 -3.254 1.00 0.00 H new ATOM 0 HG13 VAL B 114 -14.354 -10.058 -4.324 1.00 0.00 H new ATOM 0 HG21 VAL B 114 -12.022 -8.422 -3.139 1.00 0.00 H new ATOM 0 HG22 VAL B 114 -12.294 -8.623 -4.886 1.00 0.00 H new ATOM 0 HG23 VAL B 114 -12.181 -6.991 -4.185 1.00 0.00 H new ATOM 831 N GLY B 115 -16.719 -6.698 -3.773 1.00 0.00 N ATOM 832 CA GLY B 115 -18.133 -6.665 -3.448 1.00 0.00 C ATOM 833 C GLY B 115 -18.989 -6.238 -4.623 1.00 0.00 C ATOM 834 O GLY B 115 -19.950 -6.919 -4.981 1.00 0.00 O ATOM 0 H GLY B 115 -16.133 -6.090 -3.201 1.00 0.00 H new ATOM 0 HA2 GLY B 115 -18.449 -7.653 -3.113 1.00 0.00 H new ATOM 0 HA3 GLY B 115 -18.295 -5.979 -2.616 1.00 0.00 H new ATOM 838 N LEU B 116 -18.641 -5.106 -5.225 1.00 0.00 N ATOM 839 CA LEU B 116 -19.385 -4.587 -6.368 1.00 0.00 C ATOM 840 C LEU B 116 -19.489 -5.635 -7.472 1.00 0.00 C ATOM 841 O LEU B 116 -20.581 -5.938 -7.952 1.00 0.00 O ATOM 842 CB LEU B 116 -18.713 -3.324 -6.908 1.00 0.00 C ATOM 843 CG LEU B 116 -19.174 -2.002 -6.294 1.00 0.00 C ATOM 844 CD1 LEU B 116 -18.234 -0.874 -6.688 1.00 0.00 C ATOM 845 CD2 LEU B 116 -20.600 -1.684 -6.720 1.00 0.00 C ATOM 0 H LEU B 116 -17.849 -4.530 -4.941 1.00 0.00 H new ATOM 0 HA LEU B 116 -20.392 -4.339 -6.033 1.00 0.00 H new ATOM 0 HB2 LEU B 116 -17.638 -3.416 -6.757 1.00 0.00 H new ATOM 0 HB3 LEU B 116 -18.881 -3.279 -7.984 1.00 0.00 H new ATOM 0 HG LEU B 116 -19.154 -2.101 -5.209 1.00 0.00 H new ATOM 0 HD11 LEU B 116 -18.578 0.059 -6.242 1.00 0.00 H new ATOM 0 HD12 LEU B 116 -17.228 -1.097 -6.332 1.00 0.00 H new ATOM 0 HD13 LEU B 116 -18.221 -0.774 -7.773 1.00 0.00 H new ATOM 0 HD21 LEU B 116 -20.911 -0.740 -6.273 1.00 0.00 H new ATOM 0 HD22 LEU B 116 -20.646 -1.604 -7.806 1.00 0.00 H new ATOM 0 HD23 LEU B 116 -21.266 -2.480 -6.386 1.00 0.00 H new ATOM 857 N ALA B 117 -18.345 -6.184 -7.867 1.00 0.00 N ATOM 858 CA ALA B 117 -18.308 -7.201 -8.912 1.00 0.00 C ATOM 859 C ALA B 117 -19.289 -8.330 -8.613 1.00 0.00 C ATOM 860 O ALA B 117 -20.113 -8.689 -9.454 1.00 0.00 O ATOM 861 CB ALA B 117 -16.897 -7.750 -9.063 1.00 0.00 C ATOM 0 H ALA B 117 -17.433 -5.942 -7.480 1.00 0.00 H new ATOM 0 HA ALA B 117 -18.607 -6.735 -9.851 1.00 0.00 H new ATOM 0 HB1 ALA B 117 -16.883 -8.508 -9.846 1.00 0.00 H new ATOM 0 HB2 ALA B 117 -16.218 -6.940 -9.330 1.00 0.00 H new ATOM 0 HB3 ALA B 117 -16.577 -8.196 -8.121 1.00 0.00 H new ATOM 867 N VAL B 118 -19.192 -8.890 -7.411 1.00 0.00 N ATOM 868 CA VAL B 118 -20.071 -9.979 -7.002 1.00 0.00 C ATOM 869 C VAL B 118 -21.534 -9.627 -7.250 1.00 0.00 C ATOM 870 O VAL B 118 -22.283 -10.413 -7.829 1.00 0.00 O ATOM 871 CB VAL B 118 -19.882 -10.323 -5.512 1.00 0.00 C ATOM 872 CG1 VAL B 118 -20.833 -11.435 -5.097 1.00 0.00 C ATOM 873 CG2 VAL B 118 -18.438 -10.713 -5.235 1.00 0.00 C ATOM 0 H VAL B 118 -18.514 -8.607 -6.704 1.00 0.00 H new ATOM 0 HA VAL B 118 -19.802 -10.847 -7.604 1.00 0.00 H new ATOM 0 HB VAL B 118 -20.115 -9.438 -4.919 1.00 0.00 H new ATOM 0 HG11 VAL B 118 -20.686 -11.665 -4.042 1.00 0.00 H new ATOM 0 HG12 VAL B 118 -21.862 -11.113 -5.258 1.00 0.00 H new ATOM 0 HG13 VAL B 118 -20.634 -12.325 -5.694 1.00 0.00 H new ATOM 0 HG21 VAL B 118 -18.322 -10.953 -4.178 1.00 0.00 H new ATOM 0 HG22 VAL B 118 -18.175 -11.584 -5.836 1.00 0.00 H new ATOM 0 HG23 VAL B 118 -17.781 -9.882 -5.493 1.00 0.00 H new ATOM 883 N PHE B 119 -21.935 -8.440 -6.807 1.00 0.00 N ATOM 884 CA PHE B 119 -23.309 -7.984 -6.979 1.00 0.00 C ATOM 885 C PHE B 119 -23.698 -7.976 -8.454 1.00 0.00 C ATOM 886 O PHE B 119 -24.713 -8.553 -8.842 1.00 0.00 O ATOM 887 CB PHE B 119 -23.482 -6.582 -6.389 1.00 0.00 C ATOM 888 CG PHE B 119 -24.819 -6.367 -5.741 1.00 0.00 C ATOM 889 CD1 PHE B 119 -25.068 -6.835 -4.460 1.00 0.00 C ATOM 890 CD2 PHE B 119 -25.829 -5.695 -6.411 1.00 0.00 C ATOM 891 CE1 PHE B 119 -26.297 -6.637 -3.860 1.00 0.00 C ATOM 892 CE2 PHE B 119 -27.059 -5.494 -5.817 1.00 0.00 C ATOM 893 CZ PHE B 119 -27.295 -5.966 -4.541 1.00 0.00 C ATOM 0 H PHE B 119 -21.328 -7.776 -6.326 1.00 0.00 H new ATOM 0 HA PHE B 119 -23.964 -8.677 -6.451 1.00 0.00 H new ATOM 0 HB2 PHE B 119 -22.698 -6.407 -5.653 1.00 0.00 H new ATOM 0 HB3 PHE B 119 -23.347 -5.844 -7.180 1.00 0.00 H new ATOM 0 HD1 PHE B 119 -24.292 -7.361 -3.924 1.00 0.00 H new ATOM 0 HD2 PHE B 119 -25.652 -5.324 -7.410 1.00 0.00 H new ATOM 0 HE1 PHE B 119 -26.477 -7.006 -2.861 1.00 0.00 H new ATOM 0 HE2 PHE B 119 -27.837 -4.968 -6.350 1.00 0.00 H new ATOM 0 HZ PHE B 119 -28.257 -5.811 -4.076 1.00 0.00 H new ATOM 903 N ALA B 120 -22.882 -7.319 -9.273 1.00 0.00 N ATOM 904 CA ALA B 120 -23.139 -7.238 -10.705 1.00 0.00 C ATOM 905 C ALA B 120 -23.172 -8.625 -11.337 1.00 0.00 C ATOM 906 O ALA B 120 -23.988 -8.897 -12.218 1.00 0.00 O ATOM 907 CB ALA B 120 -22.087 -6.372 -11.382 1.00 0.00 C ATOM 0 H ALA B 120 -22.037 -6.835 -8.968 1.00 0.00 H new ATOM 0 HA ALA B 120 -24.118 -6.780 -10.848 1.00 0.00 H new ATOM 0 HB1 ALA B 120 -22.291 -6.320 -12.451 1.00 0.00 H new ATOM 0 HB2 ALA B 120 -22.115 -5.368 -10.958 1.00 0.00 H new ATOM 0 HB3 ALA B 120 -21.100 -6.806 -11.222 1.00 0.00 H new ATOM 913 N CYS B 121 -22.279 -9.498 -10.883 1.00 0.00 N ATOM 914 CA CYS B 121 -22.206 -10.858 -11.405 1.00 0.00 C ATOM 915 C CYS B 121 -23.540 -11.578 -11.238 1.00 0.00 C ATOM 916 O CYS B 121 -24.002 -12.268 -12.146 1.00 0.00 O ATOM 917 CB CYS B 121 -21.098 -11.638 -10.696 1.00 0.00 C ATOM 918 SG CYS B 121 -19.425 -11.142 -11.169 1.00 0.00 S ATOM 0 H CYS B 121 -21.596 -9.288 -10.155 1.00 0.00 H new ATOM 0 HA CYS B 121 -21.977 -10.801 -12.469 1.00 0.00 H new ATOM 0 HB2 CYS B 121 -21.212 -11.512 -9.619 1.00 0.00 H new ATOM 0 HB3 CYS B 121 -21.224 -12.700 -10.908 1.00 0.00 H new ATOM 0 HG CYS B 121 -19.140 -9.999 -10.620 1.00 0.00 H new ATOM 924 N LEU B 122 -24.153 -11.413 -10.071 1.00 0.00 N ATOM 925 CA LEU B 122 -25.433 -12.048 -9.783 1.00 0.00 C ATOM 926 C LEU B 122 -26.537 -11.474 -10.666 1.00 0.00 C ATOM 927 O LEU B 122 -27.391 -12.207 -11.167 1.00 0.00 O ATOM 928 CB LEU B 122 -25.798 -11.865 -8.309 1.00 0.00 C ATOM 929 CG LEU B 122 -25.417 -13.014 -7.375 1.00 0.00 C ATOM 930 CD1 LEU B 122 -25.314 -12.524 -5.939 1.00 0.00 C ATOM 931 CD2 LEU B 122 -26.430 -14.145 -7.483 1.00 0.00 C ATOM 0 H LEU B 122 -23.784 -10.844 -9.309 1.00 0.00 H new ATOM 0 HA LEU B 122 -25.337 -13.112 -9.997 1.00 0.00 H new ATOM 0 HB2 LEU B 122 -25.319 -10.955 -7.947 1.00 0.00 H new ATOM 0 HB3 LEU B 122 -26.874 -11.708 -8.239 1.00 0.00 H new ATOM 0 HG LEU B 122 -24.441 -13.395 -7.677 1.00 0.00 H new ATOM 0 HD11 LEU B 122 -25.042 -13.356 -5.289 1.00 0.00 H new ATOM 0 HD12 LEU B 122 -24.552 -11.748 -5.873 1.00 0.00 H new ATOM 0 HD13 LEU B 122 -26.275 -12.117 -5.624 1.00 0.00 H new ATOM 0 HD21 LEU B 122 -26.144 -14.955 -6.812 1.00 0.00 H new ATOM 0 HD22 LEU B 122 -27.418 -13.776 -7.207 1.00 0.00 H new ATOM 0 HD23 LEU B 122 -26.455 -14.515 -8.508 1.00 0.00 H new ATOM 943 N PHE B 123 -26.512 -10.159 -10.855 1.00 0.00 N ATOM 944 CA PHE B 123 -27.510 -9.486 -11.679 1.00 0.00 C ATOM 945 C PHE B 123 -27.541 -10.077 -13.086 1.00 0.00 C ATOM 946 O PHE B 123 -28.603 -10.431 -13.599 1.00 0.00 O ATOM 947 CB PHE B 123 -27.216 -7.987 -11.750 1.00 0.00 C ATOM 948 CG PHE B 123 -28.234 -7.213 -12.537 1.00 0.00 C ATOM 949 CD1 PHE B 123 -29.550 -7.644 -12.606 1.00 0.00 C ATOM 950 CD2 PHE B 123 -27.877 -6.054 -13.208 1.00 0.00 C ATOM 951 CE1 PHE B 123 -30.490 -6.934 -13.328 1.00 0.00 C ATOM 952 CE2 PHE B 123 -28.814 -5.339 -13.931 1.00 0.00 C ATOM 953 CZ PHE B 123 -30.121 -5.781 -13.992 1.00 0.00 C ATOM 0 H PHE B 123 -25.812 -9.538 -10.449 1.00 0.00 H new ATOM 0 HA PHE B 123 -28.487 -9.636 -11.219 1.00 0.00 H new ATOM 0 HB2 PHE B 123 -27.169 -7.586 -10.738 1.00 0.00 H new ATOM 0 HB3 PHE B 123 -26.233 -7.838 -12.197 1.00 0.00 H new ATOM 0 HD1 PHE B 123 -29.844 -8.546 -12.089 1.00 0.00 H new ATOM 0 HD2 PHE B 123 -26.856 -5.705 -13.166 1.00 0.00 H new ATOM 0 HE1 PHE B 123 -31.512 -7.280 -13.373 1.00 0.00 H new ATOM 0 HE2 PHE B 123 -28.524 -4.436 -14.447 1.00 0.00 H new ATOM 0 HZ PHE B 123 -30.854 -5.225 -14.558 1.00 0.00 H new ATOM 963 N LEU B 124 -26.370 -10.180 -13.704 1.00 0.00 N ATOM 964 CA LEU B 124 -26.261 -10.727 -15.051 1.00 0.00 C ATOM 965 C LEU B 124 -26.696 -12.189 -15.082 1.00 0.00 C ATOM 966 O LEU B 124 -27.314 -12.643 -16.045 1.00 0.00 O ATOM 967 CB LEU B 124 -24.825 -10.599 -15.561 1.00 0.00 C ATOM 968 CG LEU B 124 -24.425 -9.226 -16.103 1.00 0.00 C ATOM 969 CD1 LEU B 124 -23.006 -8.878 -15.681 1.00 0.00 C ATOM 970 CD2 LEU B 124 -24.556 -9.191 -17.619 1.00 0.00 C ATOM 0 H LEU B 124 -25.482 -9.892 -13.293 1.00 0.00 H new ATOM 0 HA LEU B 124 -26.923 -10.156 -15.702 1.00 0.00 H new ATOM 0 HB2 LEU B 124 -24.147 -10.858 -14.747 1.00 0.00 H new ATOM 0 HB3 LEU B 124 -24.673 -11.337 -16.349 1.00 0.00 H new ATOM 0 HG LEU B 124 -25.100 -8.481 -15.683 1.00 0.00 H new ATOM 0 HD11 LEU B 124 -22.739 -7.898 -16.076 1.00 0.00 H new ATOM 0 HD12 LEU B 124 -22.944 -8.860 -14.593 1.00 0.00 H new ATOM 0 HD13 LEU B 124 -22.316 -9.626 -16.071 1.00 0.00 H new ATOM 0 HD21 LEU B 124 -24.267 -8.206 -17.987 1.00 0.00 H new ATOM 0 HD22 LEU B 124 -23.905 -9.947 -18.058 1.00 0.00 H new ATOM 0 HD23 LEU B 124 -25.589 -9.394 -17.900 1.00 0.00 H new ATOM 982 N SER B 125 -26.369 -12.921 -14.022 1.00 0.00 N ATOM 983 CA SER B 125 -26.724 -14.332 -13.927 1.00 0.00 C ATOM 984 C SER B 125 -28.237 -14.508 -13.854 1.00 0.00 C ATOM 985 O SER B 125 -28.800 -15.414 -14.470 1.00 0.00 O ATOM 986 CB SER B 125 -26.065 -14.964 -12.700 1.00 0.00 C ATOM 987 OG SER B 125 -24.658 -15.024 -12.850 1.00 0.00 O ATOM 0 H SER B 125 -25.858 -12.560 -13.216 1.00 0.00 H new ATOM 0 HA SER B 125 -26.361 -14.834 -14.824 1.00 0.00 H new ATOM 0 HB2 SER B 125 -26.314 -14.385 -11.811 1.00 0.00 H new ATOM 0 HB3 SER B 125 -26.461 -15.968 -12.548 1.00 0.00 H new ATOM 0 HG SER B 125 -24.271 -14.144 -12.661 1.00 0.00 H new ATOM 993 N THR B 126 -28.893 -13.634 -13.097 1.00 0.00 N ATOM 994 CA THR B 126 -30.340 -13.692 -12.942 1.00 0.00 C ATOM 995 C THR B 126 -31.048 -13.412 -14.263 1.00 0.00 C ATOM 996 O THR B 126 -31.867 -14.209 -14.722 1.00 0.00 O ATOM 997 CB THR B 126 -30.833 -12.684 -11.886 1.00 0.00 C ATOM 998 OG1 THR B 126 -30.163 -12.912 -10.642 1.00 0.00 O ATOM 999 CG2 THR B 126 -32.336 -12.801 -11.686 1.00 0.00 C ATOM 0 H THR B 126 -28.444 -12.877 -12.581 1.00 0.00 H new ATOM 0 HA THR B 126 -30.581 -14.702 -12.611 1.00 0.00 H new ATOM 0 HB THR B 126 -30.607 -11.679 -12.242 1.00 0.00 H new ATOM 0 HG1 THR B 126 -29.212 -12.696 -10.738 1.00 0.00 H new ATOM 0 HG21 THR B 126 -32.661 -12.080 -10.936 1.00 0.00 H new ATOM 0 HG22 THR B 126 -32.845 -12.599 -12.628 1.00 0.00 H new ATOM 0 HG23 THR B 126 -32.581 -13.809 -11.350 1.00 0.00 H new ATOM 1007 N LEU B 127 -30.725 -12.276 -14.872 1.00 0.00 N ATOM 1008 CA LEU B 127 -31.330 -11.891 -16.142 1.00 0.00 C ATOM 1009 C LEU B 127 -31.207 -13.016 -17.166 1.00 0.00 C ATOM 1010 O LEU B 127 -32.194 -13.415 -17.786 1.00 0.00 O ATOM 1011 CB LEU B 127 -30.667 -10.622 -16.681 1.00 0.00 C ATOM 1012 CG LEU B 127 -30.615 -9.433 -15.721 1.00 0.00 C ATOM 1013 CD1 LEU B 127 -29.361 -8.607 -15.962 1.00 0.00 C ATOM 1014 CD2 LEU B 127 -31.860 -8.572 -15.870 1.00 0.00 C ATOM 0 H LEU B 127 -30.048 -11.606 -14.507 1.00 0.00 H new ATOM 0 HA LEU B 127 -32.388 -11.695 -15.968 1.00 0.00 H new ATOM 0 HB2 LEU B 127 -29.648 -10.867 -16.980 1.00 0.00 H new ATOM 0 HB3 LEU B 127 -31.198 -10.313 -17.582 1.00 0.00 H new ATOM 0 HG LEU B 127 -30.583 -9.816 -14.701 1.00 0.00 H new ATOM 0 HD11 LEU B 127 -29.341 -7.765 -15.270 1.00 0.00 H new ATOM 0 HD12 LEU B 127 -28.480 -9.229 -15.803 1.00 0.00 H new ATOM 0 HD13 LEU B 127 -29.362 -8.234 -16.986 1.00 0.00 H new ATOM 0 HD21 LEU B 127 -31.805 -7.731 -15.179 1.00 0.00 H new ATOM 0 HD22 LEU B 127 -31.924 -8.199 -16.892 1.00 0.00 H new ATOM 0 HD23 LEU B 127 -32.744 -9.169 -15.646 1.00 0.00 H new ATOM 1026 N LEU B 128 -29.992 -13.524 -17.337 1.00 0.00 N ATOM 1027 CA LEU B 128 -29.741 -14.606 -18.283 1.00 0.00 C ATOM 1028 C LEU B 128 -30.499 -15.867 -17.883 1.00 0.00 C ATOM 1029 O LEU B 128 -31.139 -16.510 -18.716 1.00 0.00 O ATOM 1030 CB LEU B 128 -28.243 -14.901 -18.363 1.00 0.00 C ATOM 1031 CG LEU B 128 -27.424 -13.980 -19.268 1.00 0.00 C ATOM 1032 CD1 LEU B 128 -25.943 -14.081 -18.935 1.00 0.00 C ATOM 1033 CD2 LEU B 128 -27.667 -14.315 -20.732 1.00 0.00 C ATOM 0 H LEU B 128 -29.165 -13.204 -16.833 1.00 0.00 H new ATOM 0 HA LEU B 128 -30.096 -14.288 -19.263 1.00 0.00 H new ATOM 0 HB2 LEU B 128 -27.829 -14.850 -17.356 1.00 0.00 H new ATOM 0 HB3 LEU B 128 -28.113 -15.926 -18.709 1.00 0.00 H new ATOM 0 HG LEU B 128 -27.745 -12.953 -19.093 1.00 0.00 H new ATOM 0 HD11 LEU B 128 -25.377 -13.418 -19.590 1.00 0.00 H new ATOM 0 HD12 LEU B 128 -25.783 -13.789 -17.897 1.00 0.00 H new ATOM 0 HD13 LEU B 128 -25.607 -15.108 -19.079 1.00 0.00 H new ATOM 0 HD21 LEU B 128 -27.076 -13.649 -21.361 1.00 0.00 H new ATOM 0 HD22 LEU B 128 -27.375 -15.348 -20.922 1.00 0.00 H new ATOM 0 HD23 LEU B 128 -28.725 -14.188 -20.964 1.00 0.00 H new