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 72:sc= 0.57 USER MOD Single : A 25 SER OG : rot 81:sc= 1.18 USER MOD Single : A 26 THR OG1 : rot 67:sc= 1.04 USER MOD Single : B 121 CYS SG : rot 75:sc= 0.402 USER MOD Single : B 125 SER OG : rot 79:sc= 0.681 USER MOD Single : B 126 THR OG1 : rot 68:sc= 1.16 USER MOD ----------------------------------------------------------------- ATOM 171 N VAL A 12 -14.461 3.488 -12.336 1.00 0.00 N ATOM 172 CA VAL A 12 -14.650 2.139 -11.816 1.00 0.00 C ATOM 173 C VAL A 12 -15.847 2.074 -10.874 1.00 0.00 C ATOM 174 O VAL A 12 -16.737 1.241 -11.041 1.00 0.00 O ATOM 175 CB VAL A 12 -13.396 1.644 -11.071 1.00 0.00 C ATOM 176 CG1 VAL A 12 -13.621 0.244 -10.518 1.00 0.00 C ATOM 177 CG2 VAL A 12 -12.183 1.675 -11.988 1.00 0.00 C ATOM 0 HA VAL A 12 -14.833 1.492 -12.674 1.00 0.00 H new ATOM 0 HB VAL A 12 -13.205 2.314 -10.233 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -12.725 -0.089 -9.995 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -14.462 0.258 -9.824 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -13.838 -0.441 -11.338 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.307 1.322 -11.444 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -12.361 1.030 -12.848 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.011 2.696 -12.330 1.00 0.00 H new ATOM 187 N ALA A 13 -15.861 2.961 -9.884 1.00 0.00 N ATOM 188 CA ALA A 13 -16.950 3.008 -8.916 1.00 0.00 C ATOM 189 C ALA A 13 -18.269 3.369 -9.591 1.00 0.00 C ATOM 190 O ALA A 13 -19.335 2.911 -9.178 1.00 0.00 O ATOM 191 CB ALA A 13 -16.631 4.002 -7.810 1.00 0.00 C ATOM 0 H ALA A 13 -15.131 3.656 -9.731 1.00 0.00 H new ATOM 0 HA ALA A 13 -17.056 2.016 -8.477 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -17.453 4.026 -7.095 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -15.716 3.699 -7.301 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -16.495 4.994 -8.241 1.00 0.00 H new ATOM 197 N VAL A 14 -18.191 4.194 -10.630 1.00 0.00 N ATOM 198 CA VAL A 14 -19.378 4.616 -11.362 1.00 0.00 C ATOM 199 C VAL A 14 -20.051 3.432 -12.048 1.00 0.00 C ATOM 200 O VAL A 14 -21.226 3.151 -11.815 1.00 0.00 O ATOM 201 CB VAL A 14 -19.036 5.682 -12.420 1.00 0.00 C ATOM 202 CG1 VAL A 14 -20.278 6.068 -13.210 1.00 0.00 C ATOM 203 CG2 VAL A 14 -18.410 6.902 -11.763 1.00 0.00 C ATOM 0 H VAL A 14 -17.317 4.583 -10.984 1.00 0.00 H new ATOM 0 HA VAL A 14 -20.063 5.047 -10.632 1.00 0.00 H new ATOM 0 HB VAL A 14 -18.310 5.260 -13.115 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -20.017 6.822 -13.953 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -20.678 5.187 -13.712 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -21.030 6.472 -12.532 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -18.175 7.645 -12.525 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -19.110 7.328 -11.045 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -17.495 6.609 -11.248 1.00 0.00 H new ATOM 213 N GLY A 15 -19.296 2.739 -12.896 1.00 0.00 N ATOM 214 CA GLY A 15 -19.837 1.593 -13.603 1.00 0.00 C ATOM 215 C GLY A 15 -20.349 0.521 -12.663 1.00 0.00 C ATOM 216 O GLY A 15 -21.504 0.104 -12.755 1.00 0.00 O ATOM 0 H GLY A 15 -18.320 2.951 -13.105 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -20.649 1.921 -14.252 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -19.066 1.170 -14.246 1.00 0.00 H new ATOM 220 N LEU A 16 -19.489 0.071 -11.756 1.00 0.00 N ATOM 221 CA LEU A 16 -19.860 -0.962 -10.795 1.00 0.00 C ATOM 222 C LEU A 16 -21.138 -0.581 -10.053 1.00 0.00 C ATOM 223 O LEU A 16 -22.068 -1.381 -9.949 1.00 0.00 O ATOM 224 CB LEU A 16 -18.724 -1.188 -9.796 1.00 0.00 C ATOM 225 CG LEU A 16 -17.610 -2.133 -10.247 1.00 0.00 C ATOM 226 CD1 LEU A 16 -16.352 -1.905 -9.425 1.00 0.00 C ATOM 227 CD2 LEU A 16 -18.064 -3.582 -10.140 1.00 0.00 C ATOM 0 H LEU A 16 -18.530 0.405 -11.666 1.00 0.00 H new ATOM 0 HA LEU A 16 -20.042 -1.886 -11.343 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -18.279 -0.222 -9.558 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -19.152 -1.578 -8.872 1.00 0.00 H new ATOM 0 HG LEU A 16 -17.380 -1.921 -11.291 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -15.570 -2.586 -9.760 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -16.016 -0.876 -9.552 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -16.567 -2.089 -8.372 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -17.259 -4.241 -10.465 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -18.321 -3.807 -9.105 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -18.938 -3.737 -10.773 1.00 0.00 H new ATOM 239 N ALA A 17 -21.176 0.645 -9.543 1.00 0.00 N ATOM 240 CA ALA A 17 -22.341 1.132 -8.815 1.00 0.00 C ATOM 241 C ALA A 17 -23.606 1.012 -9.659 1.00 0.00 C ATOM 242 O ALA A 17 -24.610 0.457 -9.213 1.00 0.00 O ATOM 243 CB ALA A 17 -22.127 2.575 -8.383 1.00 0.00 C ATOM 0 H ALA A 17 -20.414 1.319 -9.620 1.00 0.00 H new ATOM 0 HA ALA A 17 -22.469 0.513 -7.927 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -23.005 2.926 -7.840 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -21.252 2.635 -7.736 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -21.971 3.199 -9.263 1.00 0.00 H new ATOM 249 N VAL A 18 -23.549 1.535 -10.879 1.00 0.00 N ATOM 250 CA VAL A 18 -24.690 1.486 -11.786 1.00 0.00 C ATOM 251 C VAL A 18 -25.243 0.070 -11.896 1.00 0.00 C ATOM 252 O VAL A 18 -26.451 -0.147 -11.784 1.00 0.00 O ATOM 253 CB VAL A 18 -24.312 1.989 -13.192 1.00 0.00 C ATOM 254 CG1 VAL A 18 -25.502 1.888 -14.133 1.00 0.00 C ATOM 255 CG2 VAL A 18 -23.794 3.418 -13.124 1.00 0.00 C ATOM 0 H VAL A 18 -22.725 1.998 -11.263 1.00 0.00 H new ATOM 0 HA VAL A 18 -25.455 2.141 -11.368 1.00 0.00 H new ATOM 0 HB VAL A 18 -23.516 1.356 -13.584 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -25.216 2.248 -15.121 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -25.823 0.849 -14.204 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -26.322 2.495 -13.749 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -23.531 3.758 -14.126 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -24.567 4.066 -12.712 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -22.911 3.455 -12.485 1.00 0.00 H new ATOM 265 N PHE A 19 -24.353 -0.892 -12.116 1.00 0.00 N ATOM 266 CA PHE A 19 -24.752 -2.289 -12.243 1.00 0.00 C ATOM 267 C PHE A 19 -25.526 -2.747 -11.009 1.00 0.00 C ATOM 268 O PHE A 19 -26.610 -3.318 -11.121 1.00 0.00 O ATOM 269 CB PHE A 19 -23.522 -3.176 -12.446 1.00 0.00 C ATOM 270 CG PHE A 19 -23.748 -4.300 -13.417 1.00 0.00 C ATOM 271 CD1 PHE A 19 -24.900 -5.067 -13.352 1.00 0.00 C ATOM 272 CD2 PHE A 19 -22.808 -4.589 -14.393 1.00 0.00 C ATOM 273 CE1 PHE A 19 -25.111 -6.103 -14.244 1.00 0.00 C ATOM 274 CE2 PHE A 19 -23.015 -5.623 -15.288 1.00 0.00 C ATOM 275 CZ PHE A 19 -24.166 -6.381 -15.213 1.00 0.00 C ATOM 0 H PHE A 19 -23.350 -0.730 -12.210 1.00 0.00 H new ATOM 0 HA PHE A 19 -25.403 -2.378 -13.113 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -22.695 -2.561 -12.800 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -23.221 -3.592 -11.484 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -25.642 -4.854 -12.596 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -21.904 -4.001 -14.456 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -26.013 -6.694 -14.183 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -22.276 -5.837 -16.046 1.00 0.00 H new ATOM 0 HZ PHE A 19 -24.328 -7.190 -15.910 1.00 0.00 H new ATOM 285 N ALA A 20 -24.958 -2.494 -9.835 1.00 0.00 N ATOM 286 CA ALA A 20 -25.593 -2.878 -8.581 1.00 0.00 C ATOM 287 C ALA A 20 -26.922 -2.153 -8.393 1.00 0.00 C ATOM 288 O ALA A 20 -27.903 -2.743 -7.941 1.00 0.00 O ATOM 289 CB ALA A 20 -24.665 -2.594 -7.410 1.00 0.00 C ATOM 0 H ALA A 20 -24.059 -2.025 -9.726 1.00 0.00 H new ATOM 0 HA ALA A 20 -25.795 -3.948 -8.619 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -25.153 -2.886 -6.480 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -23.743 -3.163 -7.530 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -24.433 -1.529 -7.379 1.00 0.00 H new ATOM 295 N CYS A 21 -26.945 -0.872 -8.742 1.00 0.00 N ATOM 296 CA CYS A 21 -28.153 -0.065 -8.612 1.00 0.00 C ATOM 297 C CYS A 21 -29.311 -0.690 -9.384 1.00 0.00 C ATOM 298 O CYS A 21 -30.452 -0.688 -8.921 1.00 0.00 O ATOM 299 CB CYS A 21 -27.900 1.357 -9.113 1.00 0.00 C ATOM 300 SG CYS A 21 -26.779 2.318 -8.069 1.00 0.00 S ATOM 0 H CYS A 21 -26.141 -0.369 -9.117 1.00 0.00 H new ATOM 0 HA CYS A 21 -28.421 -0.028 -7.556 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -27.488 1.308 -10.121 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -28.853 1.881 -9.183 1.00 0.00 H new ATOM 0 HG CYS A 21 -25.567 1.867 -8.204 1.00 0.00 H new ATOM 306 N LEU A 22 -29.009 -1.223 -10.562 1.00 0.00 N ATOM 307 CA LEU A 22 -30.025 -1.851 -11.401 1.00 0.00 C ATOM 308 C LEU A 22 -30.530 -3.145 -10.769 1.00 0.00 C ATOM 309 O LEU A 22 -31.734 -3.388 -10.707 1.00 0.00 O ATOM 310 CB LEU A 22 -29.459 -2.138 -12.793 1.00 0.00 C ATOM 311 CG LEU A 22 -29.651 -1.035 -13.835 1.00 0.00 C ATOM 312 CD1 LEU A 22 -28.854 -1.346 -15.093 1.00 0.00 C ATOM 313 CD2 LEU A 22 -31.126 -0.863 -14.164 1.00 0.00 C ATOM 0 H LEU A 22 -28.069 -1.233 -10.959 1.00 0.00 H new ATOM 0 HA LEU A 22 -30.864 -1.161 -11.491 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -28.392 -2.337 -12.696 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -29.920 -3.051 -13.170 1.00 0.00 H new ATOM 0 HG LEU A 22 -29.282 -0.098 -13.418 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -29.002 -0.551 -15.824 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -27.795 -1.418 -14.844 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -29.193 -2.293 -15.514 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -31.243 -0.074 -14.907 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -31.522 -1.798 -14.562 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -31.672 -0.594 -13.260 1.00 0.00 H new ATOM 325 N PHE A 23 -29.600 -3.970 -10.298 1.00 0.00 N ATOM 326 CA PHE A 23 -29.951 -5.237 -9.669 1.00 0.00 C ATOM 327 C PHE A 23 -30.871 -5.015 -8.473 1.00 0.00 C ATOM 328 O PHE A 23 -31.843 -5.746 -8.278 1.00 0.00 O ATOM 329 CB PHE A 23 -28.687 -5.977 -9.224 1.00 0.00 C ATOM 330 CG PHE A 23 -28.959 -7.342 -8.660 1.00 0.00 C ATOM 331 CD1 PHE A 23 -30.151 -7.994 -8.932 1.00 0.00 C ATOM 332 CD2 PHE A 23 -28.022 -7.974 -7.858 1.00 0.00 C ATOM 333 CE1 PHE A 23 -30.404 -9.250 -8.414 1.00 0.00 C ATOM 334 CE2 PHE A 23 -28.269 -9.230 -7.338 1.00 0.00 C ATOM 335 CZ PHE A 23 -29.462 -9.869 -7.616 1.00 0.00 C ATOM 0 H PHE A 23 -28.598 -3.783 -10.340 1.00 0.00 H new ATOM 0 HA PHE A 23 -30.480 -5.844 -10.404 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -28.013 -6.072 -10.075 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -28.171 -5.379 -8.473 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -30.891 -7.515 -9.556 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -27.088 -7.479 -7.637 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -31.337 -9.747 -8.633 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -27.530 -9.712 -6.715 1.00 0.00 H new ATOM 0 HZ PHE A 23 -29.658 -10.851 -7.210 1.00 0.00 H new ATOM 345 N LEU A 24 -30.558 -4.001 -7.673 1.00 0.00 N ATOM 346 CA LEU A 24 -31.356 -3.681 -6.495 1.00 0.00 C ATOM 347 C LEU A 24 -32.713 -3.111 -6.894 1.00 0.00 C ATOM 348 O LEU A 24 -33.709 -3.307 -6.198 1.00 0.00 O ATOM 349 CB LEU A 24 -30.612 -2.682 -5.607 1.00 0.00 C ATOM 350 CG LEU A 24 -29.713 -3.285 -4.526 1.00 0.00 C ATOM 351 CD1 LEU A 24 -28.881 -2.200 -3.860 1.00 0.00 C ATOM 352 CD2 LEU A 24 -30.546 -4.029 -3.494 1.00 0.00 C ATOM 0 H LEU A 24 -29.757 -3.387 -7.819 1.00 0.00 H new ATOM 0 HA LEU A 24 -31.520 -4.603 -5.937 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -30.001 -2.044 -6.245 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -31.347 -2.039 -5.123 1.00 0.00 H new ATOM 0 HG LEU A 24 -29.036 -3.997 -4.998 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -28.247 -2.646 -3.094 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -28.257 -1.710 -4.607 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -29.542 -1.465 -3.401 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -29.890 -4.451 -2.733 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -31.247 -3.338 -3.026 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -31.099 -4.832 -3.983 1.00 0.00 H new ATOM 364 N SER A 25 -32.745 -2.407 -8.022 1.00 0.00 N ATOM 365 CA SER A 25 -33.980 -1.807 -8.514 1.00 0.00 C ATOM 366 C SER A 25 -34.908 -2.871 -9.090 1.00 0.00 C ATOM 367 O SER A 25 -36.131 -2.762 -8.998 1.00 0.00 O ATOM 368 CB SER A 25 -33.670 -0.752 -9.578 1.00 0.00 C ATOM 369 OG SER A 25 -32.998 0.360 -9.014 1.00 0.00 O ATOM 0 H SER A 25 -31.930 -2.238 -8.612 1.00 0.00 H new ATOM 0 HA SER A 25 -34.483 -1.328 -7.674 1.00 0.00 H new ATOM 0 HB2 SER A 25 -33.055 -1.193 -10.363 1.00 0.00 H new ATOM 0 HB3 SER A 25 -34.597 -0.421 -10.047 1.00 0.00 H new ATOM 0 HG SER A 25 -32.044 0.154 -8.922 1.00 0.00 H new ATOM 375 N THR A 26 -34.318 -3.902 -9.689 1.00 0.00 N ATOM 376 CA THR A 26 -35.090 -4.986 -10.282 1.00 0.00 C ATOM 377 C THR A 26 -35.746 -5.846 -9.208 1.00 0.00 C ATOM 378 O THR A 26 -36.930 -6.171 -9.295 1.00 0.00 O ATOM 379 CB THR A 26 -34.209 -5.880 -11.174 1.00 0.00 C ATOM 380 OG1 THR A 26 -33.488 -5.076 -12.115 1.00 0.00 O ATOM 381 CG2 THR A 26 -35.054 -6.904 -11.917 1.00 0.00 C ATOM 0 H THR A 26 -33.307 -4.008 -9.776 1.00 0.00 H new ATOM 0 HA THR A 26 -35.864 -4.524 -10.895 1.00 0.00 H new ATOM 0 HB THR A 26 -33.503 -6.410 -10.534 1.00 0.00 H new ATOM 0 HG1 THR A 26 -32.840 -4.516 -11.638 1.00 0.00 H new ATOM 0 HG21 THR A 26 -34.410 -7.524 -12.541 1.00 0.00 H new ATOM 0 HG22 THR A 26 -35.578 -7.534 -11.198 1.00 0.00 H new ATOM 0 HG23 THR A 26 -35.781 -6.389 -12.546 1.00 0.00 H new ATOM 389 N LEU A 27 -34.968 -6.213 -8.194 1.00 0.00 N ATOM 390 CA LEU A 27 -35.474 -7.036 -7.101 1.00 0.00 C ATOM 391 C LEU A 27 -36.575 -6.310 -6.337 1.00 0.00 C ATOM 392 O LEU A 27 -37.656 -6.857 -6.112 1.00 0.00 O ATOM 393 CB LEU A 27 -34.336 -7.409 -6.150 1.00 0.00 C ATOM 394 CG LEU A 27 -33.112 -8.064 -6.790 1.00 0.00 C ATOM 395 CD1 LEU A 27 -31.854 -7.731 -6.002 1.00 0.00 C ATOM 396 CD2 LEU A 27 -33.301 -9.571 -6.884 1.00 0.00 C ATOM 0 H LEU A 27 -33.985 -5.954 -8.107 1.00 0.00 H new ATOM 0 HA LEU A 27 -35.895 -7.946 -7.528 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -34.011 -6.506 -5.633 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -34.730 -8.086 -5.392 1.00 0.00 H new ATOM 0 HG LEU A 27 -32.999 -7.668 -7.799 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -30.993 -8.206 -6.473 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -31.709 -6.651 -5.987 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -31.957 -8.097 -4.981 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -32.420 -10.020 -7.342 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -33.441 -9.983 -5.885 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -34.178 -9.790 -7.493 1.00 0.00 H new ATOM 408 N LEU A 28 -36.295 -5.073 -5.940 1.00 0.00 N ATOM 409 CA LEU A 28 -37.263 -4.269 -5.201 1.00 0.00 C ATOM 410 C LEU A 28 -38.554 -4.105 -5.997 1.00 0.00 C ATOM 411 O LEU A 28 -39.651 -4.168 -5.441 1.00 0.00 O ATOM 412 CB LEU A 28 -36.673 -2.896 -4.876 1.00 0.00 C ATOM 413 CG LEU A 28 -35.684 -2.850 -3.710 1.00 0.00 C ATOM 414 CD1 LEU A 28 -34.997 -1.495 -3.647 1.00 0.00 C ATOM 415 CD2 LEU A 28 -36.394 -3.151 -2.398 1.00 0.00 C ATOM 0 H LEU A 28 -35.406 -4.605 -6.117 1.00 0.00 H new ATOM 0 HA LEU A 28 -37.494 -4.787 -4.270 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -36.172 -2.518 -5.767 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -37.493 -2.212 -4.658 1.00 0.00 H new ATOM 0 HG LEU A 28 -34.923 -3.613 -3.873 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -34.297 -1.480 -2.812 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -34.456 -1.318 -4.577 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -35.745 -0.714 -3.508 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -35.676 -3.114 -1.579 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -37.176 -2.410 -2.229 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -36.840 -4.145 -2.445 1.00 0.00 H new ATOM 427 N LEU A 29 -38.416 -3.895 -7.302 1.00 0.00 N ATOM 428 CA LEU A 29 -39.572 -3.724 -8.176 1.00 0.00 C ATOM 429 C LEU A 29 -40.411 -4.998 -8.225 1.00 0.00 C ATOM 430 O LEU A 29 -41.623 -4.964 -8.012 1.00 0.00 O ATOM 431 CB LEU A 29 -39.118 -3.344 -9.586 1.00 0.00 C ATOM 432 CG LEU A 29 -38.927 -1.850 -9.849 1.00 0.00 C ATOM 433 CD1 LEU A 29 -38.147 -1.630 -11.136 1.00 0.00 C ATOM 434 CD2 LEU A 29 -40.272 -1.142 -9.911 1.00 0.00 C ATOM 0 H LEU A 29 -37.516 -3.839 -7.778 1.00 0.00 H new ATOM 0 HA LEU A 29 -40.188 -2.921 -7.771 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -38.176 -3.852 -9.792 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -39.849 -3.727 -10.297 1.00 0.00 H new ATOM 0 HG LEU A 29 -38.354 -1.426 -9.024 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -38.021 -0.561 -11.307 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -37.168 -2.102 -11.053 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -38.692 -2.069 -11.971 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -40.116 -0.080 -10.099 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -40.871 -1.569 -10.716 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -40.794 -1.270 -8.963 1.00 0.00 H new ATOM 446 N VAL A 30 -39.757 -6.120 -8.507 1.00 0.00 N ATOM 447 CA VAL A 30 -40.440 -7.405 -8.581 1.00 0.00 C ATOM 448 C VAL A 30 -41.197 -7.700 -7.290 1.00 0.00 C ATOM 449 O VAL A 30 -42.410 -7.913 -7.304 1.00 0.00 O ATOM 450 CB VAL A 30 -39.451 -8.553 -8.857 1.00 0.00 C ATOM 451 CG1 VAL A 30 -40.180 -9.887 -8.902 1.00 0.00 C ATOM 452 CG2 VAL A 30 -38.696 -8.304 -10.153 1.00 0.00 C ATOM 0 H VAL A 30 -38.754 -6.165 -8.688 1.00 0.00 H new ATOM 0 HA VAL A 30 -41.148 -7.340 -9.408 1.00 0.00 H new ATOM 0 HB VAL A 30 -38.727 -8.590 -8.043 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -39.465 -10.686 -9.098 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -40.671 -10.066 -7.945 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -40.928 -9.867 -9.695 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -38.001 -9.125 -10.333 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -39.404 -8.240 -10.980 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -38.141 -7.369 -10.077 1.00 0.00 H new ATOM 462 N LEU A 31 -40.473 -7.713 -6.176 1.00 0.00 N ATOM 463 CA LEU A 31 -41.076 -7.981 -4.875 1.00 0.00 C ATOM 464 C LEU A 31 -42.277 -7.073 -4.633 1.00 0.00 C ATOM 465 O LEU A 31 -43.277 -7.491 -4.050 1.00 0.00 O ATOM 466 CB LEU A 31 -40.043 -7.788 -3.763 1.00 0.00 C ATOM 467 CG LEU A 31 -38.868 -8.767 -3.760 1.00 0.00 C ATOM 468 CD1 LEU A 31 -37.823 -8.343 -2.740 1.00 0.00 C ATOM 469 CD2 LEU A 31 -39.353 -10.181 -3.475 1.00 0.00 C ATOM 0 H LEU A 31 -39.468 -7.541 -6.148 1.00 0.00 H new ATOM 0 HA LEU A 31 -41.420 -9.015 -4.868 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -39.646 -6.775 -3.835 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -40.554 -7.862 -2.803 1.00 0.00 H new ATOM 0 HG LEU A 31 -38.407 -8.755 -4.748 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -36.995 -9.051 -2.752 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -37.454 -7.348 -2.989 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -38.271 -8.325 -1.746 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -38.504 -10.864 -3.477 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -39.839 -10.209 -2.500 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -40.064 -10.484 -4.244 1.00 0.00 H new ATOM 789 N VAL B 112 -14.329 -2.681 -2.543 1.00 0.00 N ATOM 790 CA VAL B 112 -15.366 -2.036 -3.339 1.00 0.00 C ATOM 791 C VAL B 112 -15.608 -2.791 -4.642 1.00 0.00 C ATOM 792 O VAL B 112 -16.740 -3.148 -4.963 1.00 0.00 O ATOM 793 CB VAL B 112 -14.997 -0.576 -3.664 1.00 0.00 C ATOM 794 CG1 VAL B 112 -16.082 0.073 -4.510 1.00 0.00 C ATOM 795 CG2 VAL B 112 -14.765 0.212 -2.384 1.00 0.00 C ATOM 0 HA VAL B 112 -16.278 -2.048 -2.742 1.00 0.00 H new ATOM 0 HB VAL B 112 -14.071 -0.573 -4.239 1.00 0.00 H new ATOM 0 HG11 VAL B 112 -15.804 1.104 -4.730 1.00 0.00 H new ATOM 0 HG12 VAL B 112 -16.195 -0.479 -5.443 1.00 0.00 H new ATOM 0 HG13 VAL B 112 -17.025 0.060 -3.964 1.00 0.00 H new ATOM 0 HG21 VAL B 112 -14.505 1.241 -2.632 1.00 0.00 H new ATOM 0 HG22 VAL B 112 -15.673 0.202 -1.781 1.00 0.00 H new ATOM 0 HG23 VAL B 112 -13.950 -0.242 -1.820 1.00 0.00 H new ATOM 805 N ALA B 113 -14.535 -3.028 -5.389 1.00 0.00 N ATOM 806 CA ALA B 113 -14.629 -3.742 -6.657 1.00 0.00 C ATOM 807 C ALA B 113 -15.074 -5.185 -6.442 1.00 0.00 C ATOM 808 O ALA B 113 -15.802 -5.749 -7.259 1.00 0.00 O ATOM 809 CB ALA B 113 -13.294 -3.703 -7.385 1.00 0.00 C ATOM 0 H ALA B 113 -13.590 -2.736 -5.138 1.00 0.00 H new ATOM 0 HA ALA B 113 -15.380 -3.245 -7.271 1.00 0.00 H new ATOM 0 HB1 ALA B 113 -13.379 -4.240 -8.330 1.00 0.00 H new ATOM 0 HB2 ALA B 113 -13.016 -2.667 -7.580 1.00 0.00 H new ATOM 0 HB3 ALA B 113 -12.529 -4.174 -6.768 1.00 0.00 H new ATOM 815 N VAL B 114 -14.631 -5.778 -5.337 1.00 0.00 N ATOM 816 CA VAL B 114 -14.985 -7.156 -5.016 1.00 0.00 C ATOM 817 C VAL B 114 -16.480 -7.291 -4.749 1.00 0.00 C ATOM 818 O VAL B 114 -17.172 -8.066 -5.408 1.00 0.00 O ATOM 819 CB VAL B 114 -14.207 -7.662 -3.786 1.00 0.00 C ATOM 820 CG1 VAL B 114 -14.629 -9.080 -3.435 1.00 0.00 C ATOM 821 CG2 VAL B 114 -12.709 -7.589 -4.038 1.00 0.00 C ATOM 0 H VAL B 114 -14.027 -5.326 -4.650 1.00 0.00 H new ATOM 0 HA VAL B 114 -14.717 -7.762 -5.881 1.00 0.00 H new ATOM 0 HB VAL B 114 -14.441 -7.019 -2.938 1.00 0.00 H new ATOM 0 HG11 VAL B 114 -14.069 -9.421 -2.564 1.00 0.00 H new ATOM 0 HG12 VAL B 114 -15.696 -9.097 -3.211 1.00 0.00 H new ATOM 0 HG13 VAL B 114 -14.425 -9.740 -4.278 1.00 0.00 H new ATOM 0 HG21 VAL B 114 -12.174 -7.950 -3.159 1.00 0.00 H new ATOM 0 HG22 VAL B 114 -12.454 -8.208 -4.898 1.00 0.00 H new ATOM 0 HG23 VAL B 114 -12.424 -6.556 -4.237 1.00 0.00 H new ATOM 831 N GLY B 115 -16.974 -6.531 -3.775 1.00 0.00 N ATOM 832 CA GLY B 115 -18.384 -6.580 -3.438 1.00 0.00 C ATOM 833 C GLY B 115 -19.275 -6.260 -4.622 1.00 0.00 C ATOM 834 O GLY B 115 -20.158 -7.042 -4.974 1.00 0.00 O ATOM 0 H GLY B 115 -16.422 -5.882 -3.214 1.00 0.00 H new ATOM 0 HA2 GLY B 115 -18.630 -7.572 -3.060 1.00 0.00 H new ATOM 0 HA3 GLY B 115 -18.587 -5.873 -2.633 1.00 0.00 H new ATOM 838 N LEU B 116 -19.045 -5.105 -5.237 1.00 0.00 N ATOM 839 CA LEU B 116 -19.835 -4.680 -6.388 1.00 0.00 C ATOM 840 C LEU B 116 -19.833 -5.751 -7.475 1.00 0.00 C ATOM 841 O LEU B 116 -20.879 -6.090 -8.027 1.00 0.00 O ATOM 842 CB LEU B 116 -19.289 -3.366 -6.950 1.00 0.00 C ATOM 843 CG LEU B 116 -19.830 -2.087 -6.311 1.00 0.00 C ATOM 844 CD1 LEU B 116 -18.800 -0.971 -6.394 1.00 0.00 C ATOM 845 CD2 LEU B 116 -21.131 -1.666 -6.979 1.00 0.00 C ATOM 0 H LEU B 116 -18.318 -4.446 -4.958 1.00 0.00 H new ATOM 0 HA LEU B 116 -20.862 -4.527 -6.056 1.00 0.00 H new ATOM 0 HB2 LEU B 116 -18.204 -3.371 -6.843 1.00 0.00 H new ATOM 0 HB3 LEU B 116 -19.504 -3.334 -8.018 1.00 0.00 H new ATOM 0 HG LEU B 116 -20.033 -2.287 -5.259 1.00 0.00 H new ATOM 0 HD11 LEU B 116 -19.203 -0.069 -5.934 1.00 0.00 H new ATOM 0 HD12 LEU B 116 -17.894 -1.272 -5.868 1.00 0.00 H new ATOM 0 HD13 LEU B 116 -18.564 -0.771 -7.439 1.00 0.00 H new ATOM 0 HD21 LEU B 116 -21.502 -0.754 -6.511 1.00 0.00 H new ATOM 0 HD22 LEU B 116 -20.954 -1.484 -8.039 1.00 0.00 H new ATOM 0 HD23 LEU B 116 -21.871 -2.458 -6.866 1.00 0.00 H new ATOM 857 N ALA B 117 -18.651 -6.281 -7.774 1.00 0.00 N ATOM 858 CA ALA B 117 -18.515 -7.316 -8.791 1.00 0.00 C ATOM 859 C ALA B 117 -19.448 -8.488 -8.510 1.00 0.00 C ATOM 860 O ALA B 117 -20.266 -8.859 -9.352 1.00 0.00 O ATOM 861 CB ALA B 117 -17.072 -7.794 -8.865 1.00 0.00 C ATOM 0 H ALA B 117 -17.775 -6.011 -7.327 1.00 0.00 H new ATOM 0 HA ALA B 117 -18.795 -6.886 -9.753 1.00 0.00 H new ATOM 0 HB1 ALA B 117 -16.983 -8.567 -9.628 1.00 0.00 H new ATOM 0 HB2 ALA B 117 -16.424 -6.956 -9.121 1.00 0.00 H new ATOM 0 HB3 ALA B 117 -16.774 -8.202 -7.899 1.00 0.00 H new ATOM 867 N VAL B 118 -19.321 -9.070 -7.322 1.00 0.00 N ATOM 868 CA VAL B 118 -20.153 -10.201 -6.930 1.00 0.00 C ATOM 869 C VAL B 118 -21.630 -9.903 -7.164 1.00 0.00 C ATOM 870 O VAL B 118 -22.334 -10.674 -7.817 1.00 0.00 O ATOM 871 CB VAL B 118 -19.943 -10.566 -5.449 1.00 0.00 C ATOM 872 CG1 VAL B 118 -20.844 -11.725 -5.051 1.00 0.00 C ATOM 873 CG2 VAL B 118 -18.483 -10.899 -5.184 1.00 0.00 C ATOM 0 H VAL B 118 -18.649 -8.776 -6.613 1.00 0.00 H new ATOM 0 HA VAL B 118 -19.852 -11.045 -7.550 1.00 0.00 H new ATOM 0 HB VAL B 118 -20.211 -9.703 -4.839 1.00 0.00 H new ATOM 0 HG11 VAL B 118 -20.681 -11.968 -4.001 1.00 0.00 H new ATOM 0 HG12 VAL B 118 -21.886 -11.444 -5.201 1.00 0.00 H new ATOM 0 HG13 VAL B 118 -20.611 -12.595 -5.665 1.00 0.00 H new ATOM 0 HG21 VAL B 118 -18.353 -11.155 -4.132 1.00 0.00 H new ATOM 0 HG22 VAL B 118 -18.185 -11.745 -5.803 1.00 0.00 H new ATOM 0 HG23 VAL B 118 -17.863 -10.036 -5.427 1.00 0.00 H new ATOM 883 N PHE B 119 -22.093 -8.779 -6.629 1.00 0.00 N ATOM 884 CA PHE B 119 -23.487 -8.378 -6.779 1.00 0.00 C ATOM 885 C PHE B 119 -23.878 -8.311 -8.253 1.00 0.00 C ATOM 886 O PHE B 119 -24.841 -8.948 -8.680 1.00 0.00 O ATOM 887 CB PHE B 119 -23.724 -7.019 -6.115 1.00 0.00 C ATOM 888 CG PHE B 119 -25.164 -6.761 -5.777 1.00 0.00 C ATOM 889 CD1 PHE B 119 -25.842 -7.588 -4.896 1.00 0.00 C ATOM 890 CD2 PHE B 119 -25.841 -5.691 -6.341 1.00 0.00 C ATOM 891 CE1 PHE B 119 -27.167 -7.353 -4.582 1.00 0.00 C ATOM 892 CE2 PHE B 119 -27.166 -5.450 -6.029 1.00 0.00 C ATOM 893 CZ PHE B 119 -27.830 -6.283 -5.151 1.00 0.00 C ATOM 0 H PHE B 119 -21.523 -8.129 -6.087 1.00 0.00 H new ATOM 0 HA PHE B 119 -24.109 -9.127 -6.289 1.00 0.00 H new ATOM 0 HB2 PHE B 119 -23.129 -6.960 -5.204 1.00 0.00 H new ATOM 0 HB3 PHE B 119 -23.368 -6.232 -6.780 1.00 0.00 H new ATOM 0 HD1 PHE B 119 -25.329 -8.427 -4.449 1.00 0.00 H new ATOM 0 HD2 PHE B 119 -25.328 -5.038 -7.032 1.00 0.00 H new ATOM 0 HE1 PHE B 119 -27.683 -8.005 -3.893 1.00 0.00 H new ATOM 0 HE2 PHE B 119 -27.681 -4.611 -6.472 1.00 0.00 H new ATOM 0 HZ PHE B 119 -28.866 -6.098 -4.909 1.00 0.00 H new ATOM 903 N ALA B 120 -23.124 -7.536 -9.025 1.00 0.00 N ATOM 904 CA ALA B 120 -23.389 -7.387 -10.450 1.00 0.00 C ATOM 905 C ALA B 120 -23.399 -8.741 -11.151 1.00 0.00 C ATOM 906 O ALA B 120 -24.229 -8.993 -12.026 1.00 0.00 O ATOM 907 CB ALA B 120 -22.357 -6.468 -11.086 1.00 0.00 C ATOM 0 H ALA B 120 -22.324 -7.001 -8.687 1.00 0.00 H new ATOM 0 HA ALA B 120 -24.377 -6.940 -10.566 1.00 0.00 H new ATOM 0 HB1 ALA B 120 -22.568 -6.366 -12.151 1.00 0.00 H new ATOM 0 HB2 ALA B 120 -22.401 -5.488 -10.612 1.00 0.00 H new ATOM 0 HB3 ALA B 120 -21.361 -6.891 -10.952 1.00 0.00 H new ATOM 913 N CYS B 121 -22.472 -9.609 -10.763 1.00 0.00 N ATOM 914 CA CYS B 121 -22.373 -10.939 -11.355 1.00 0.00 C ATOM 915 C CYS B 121 -23.684 -11.702 -11.203 1.00 0.00 C ATOM 916 O CYS B 121 -24.157 -12.342 -12.143 1.00 0.00 O ATOM 917 CB CYS B 121 -21.233 -11.725 -10.707 1.00 0.00 C ATOM 918 SG CYS B 121 -19.584 -11.200 -11.229 1.00 0.00 S ATOM 0 H CYS B 121 -21.778 -9.416 -10.041 1.00 0.00 H new ATOM 0 HA CYS B 121 -22.165 -10.821 -12.418 1.00 0.00 H new ATOM 0 HB2 CYS B 121 -21.308 -11.627 -9.624 1.00 0.00 H new ATOM 0 HB3 CYS B 121 -21.357 -12.783 -10.940 1.00 0.00 H new ATOM 0 HG CYS B 121 -19.286 -10.072 -10.656 1.00 0.00 H new ATOM 924 N LEU B 122 -24.269 -11.630 -10.011 1.00 0.00 N ATOM 925 CA LEU B 122 -25.526 -12.315 -9.734 1.00 0.00 C ATOM 926 C LEU B 122 -26.656 -11.747 -10.587 1.00 0.00 C ATOM 927 O LEU B 122 -27.501 -12.488 -11.091 1.00 0.00 O ATOM 928 CB LEU B 122 -25.881 -12.192 -8.251 1.00 0.00 C ATOM 929 CG LEU B 122 -25.541 -13.400 -7.377 1.00 0.00 C ATOM 930 CD1 LEU B 122 -25.793 -13.085 -5.910 1.00 0.00 C ATOM 931 CD2 LEU B 122 -26.348 -14.616 -7.810 1.00 0.00 C ATOM 0 H LEU B 122 -23.892 -11.104 -9.222 1.00 0.00 H new ATOM 0 HA LEU B 122 -25.400 -13.368 -9.985 1.00 0.00 H new ATOM 0 HB2 LEU B 122 -25.368 -11.320 -7.846 1.00 0.00 H new ATOM 0 HB3 LEU B 122 -26.951 -11.999 -8.169 1.00 0.00 H new ATOM 0 HG LEU B 122 -24.483 -13.628 -7.502 1.00 0.00 H new ATOM 0 HD11 LEU B 122 -25.546 -13.956 -5.303 1.00 0.00 H new ATOM 0 HD12 LEU B 122 -25.171 -12.243 -5.607 1.00 0.00 H new ATOM 0 HD13 LEU B 122 -26.843 -12.830 -5.768 1.00 0.00 H new ATOM 0 HD21 LEU B 122 -26.093 -15.466 -7.177 1.00 0.00 H new ATOM 0 HD22 LEU B 122 -27.412 -14.399 -7.715 1.00 0.00 H new ATOM 0 HD23 LEU B 122 -26.118 -14.855 -8.848 1.00 0.00 H new ATOM 943 N PHE B 123 -26.664 -10.428 -10.748 1.00 0.00 N ATOM 944 CA PHE B 123 -27.689 -9.760 -11.541 1.00 0.00 C ATOM 945 C PHE B 123 -27.695 -10.286 -12.975 1.00 0.00 C ATOM 946 O PHE B 123 -28.753 -10.566 -13.541 1.00 0.00 O ATOM 947 CB PHE B 123 -27.458 -8.248 -11.542 1.00 0.00 C ATOM 948 CG PHE B 123 -28.573 -7.472 -12.185 1.00 0.00 C ATOM 949 CD1 PHE B 123 -29.880 -7.928 -12.119 1.00 0.00 C ATOM 950 CD2 PHE B 123 -28.313 -6.287 -12.854 1.00 0.00 C ATOM 951 CE1 PHE B 123 -30.906 -7.216 -12.711 1.00 0.00 C ATOM 952 CE2 PHE B 123 -29.335 -5.571 -13.447 1.00 0.00 C ATOM 953 CZ PHE B 123 -30.634 -6.036 -13.374 1.00 0.00 C ATOM 0 H PHE B 123 -25.972 -9.800 -10.339 1.00 0.00 H new ATOM 0 HA PHE B 123 -28.658 -9.972 -11.090 1.00 0.00 H new ATOM 0 HB2 PHE B 123 -27.334 -7.907 -10.514 1.00 0.00 H new ATOM 0 HB3 PHE B 123 -26.526 -8.031 -12.065 1.00 0.00 H new ATOM 0 HD1 PHE B 123 -30.099 -8.849 -11.600 1.00 0.00 H new ATOM 0 HD2 PHE B 123 -27.299 -5.919 -12.913 1.00 0.00 H new ATOM 0 HE1 PHE B 123 -31.920 -7.583 -12.655 1.00 0.00 H new ATOM 0 HE2 PHE B 123 -29.119 -4.649 -13.967 1.00 0.00 H new ATOM 0 HZ PHE B 123 -31.435 -5.477 -13.835 1.00 0.00 H new ATOM 963 N LEU B 124 -26.507 -10.416 -13.555 1.00 0.00 N ATOM 964 CA LEU B 124 -26.374 -10.907 -14.923 1.00 0.00 C ATOM 965 C LEU B 124 -26.690 -12.398 -14.999 1.00 0.00 C ATOM 966 O LEU B 124 -27.129 -12.897 -16.035 1.00 0.00 O ATOM 967 CB LEU B 124 -24.960 -10.647 -15.444 1.00 0.00 C ATOM 968 CG LEU B 124 -24.851 -9.719 -16.655 1.00 0.00 C ATOM 969 CD1 LEU B 124 -23.396 -9.381 -16.939 1.00 0.00 C ATOM 970 CD2 LEU B 124 -25.500 -10.357 -17.874 1.00 0.00 C ATOM 0 H LEU B 124 -25.623 -10.189 -13.100 1.00 0.00 H new ATOM 0 HA LEU B 124 -27.089 -10.370 -15.547 1.00 0.00 H new ATOM 0 HB2 LEU B 124 -24.367 -10.224 -14.633 1.00 0.00 H new ATOM 0 HB3 LEU B 124 -24.508 -11.604 -15.703 1.00 0.00 H new ATOM 0 HG LEU B 124 -25.380 -8.793 -16.429 1.00 0.00 H new ATOM 0 HD11 LEU B 124 -23.338 -8.720 -17.804 1.00 0.00 H new ATOM 0 HD12 LEU B 124 -22.962 -8.883 -16.072 1.00 0.00 H new ATOM 0 HD13 LEU B 124 -22.843 -10.297 -17.145 1.00 0.00 H new ATOM 0 HD21 LEU B 124 -25.414 -9.683 -18.727 1.00 0.00 H new ATOM 0 HD22 LEU B 124 -24.999 -11.298 -18.102 1.00 0.00 H new ATOM 0 HD23 LEU B 124 -26.553 -10.548 -17.668 1.00 0.00 H new ATOM 982 N SER B 125 -26.466 -13.102 -13.895 1.00 0.00 N ATOM 983 CA SER B 125 -26.724 -14.537 -13.837 1.00 0.00 C ATOM 984 C SER B 125 -28.220 -14.814 -13.715 1.00 0.00 C ATOM 985 O SER B 125 -28.728 -15.797 -14.255 1.00 0.00 O ATOM 986 CB SER B 125 -25.980 -15.163 -12.656 1.00 0.00 C ATOM 987 OG SER B 125 -24.578 -15.119 -12.856 1.00 0.00 O ATOM 0 H SER B 125 -26.106 -12.703 -13.028 1.00 0.00 H new ATOM 0 HA SER B 125 -26.363 -14.985 -14.763 1.00 0.00 H new ATOM 0 HB2 SER B 125 -26.236 -14.633 -11.738 1.00 0.00 H new ATOM 0 HB3 SER B 125 -26.300 -16.197 -12.527 1.00 0.00 H new ATOM 0 HG SER B 125 -24.247 -14.218 -12.656 1.00 0.00 H new ATOM 993 N THR B 126 -28.922 -13.940 -12.999 1.00 0.00 N ATOM 994 CA THR B 126 -30.358 -14.090 -12.804 1.00 0.00 C ATOM 995 C THR B 126 -31.121 -13.789 -14.089 1.00 0.00 C ATOM 996 O THR B 126 -32.002 -14.550 -14.493 1.00 0.00 O ATOM 997 CB THR B 126 -30.872 -13.164 -11.686 1.00 0.00 C ATOM 998 OG1 THR B 126 -30.084 -13.339 -10.503 1.00 0.00 O ATOM 999 CG2 THR B 126 -32.334 -13.451 -11.376 1.00 0.00 C ATOM 0 H THR B 126 -28.518 -13.121 -12.545 1.00 0.00 H new ATOM 0 HA THR B 126 -30.532 -15.127 -12.516 1.00 0.00 H new ATOM 0 HB THR B 126 -30.785 -12.133 -12.029 1.00 0.00 H new ATOM 0 HG1 THR B 126 -29.177 -13.005 -10.662 1.00 0.00 H new ATOM 0 HG21 THR B 126 -32.675 -12.785 -10.583 1.00 0.00 H new ATOM 0 HG22 THR B 126 -32.935 -13.288 -12.271 1.00 0.00 H new ATOM 0 HG23 THR B 126 -32.441 -14.486 -11.051 1.00 0.00 H new ATOM 1007 N LEU B 127 -30.780 -12.676 -14.728 1.00 0.00 N ATOM 1008 CA LEU B 127 -31.433 -12.276 -15.970 1.00 0.00 C ATOM 1009 C LEU B 127 -31.162 -13.287 -17.079 1.00 0.00 C ATOM 1010 O LEU B 127 -32.083 -13.746 -17.754 1.00 0.00 O ATOM 1011 CB LEU B 127 -30.950 -10.889 -16.398 1.00 0.00 C ATOM 1012 CG LEU B 127 -31.059 -9.785 -15.346 1.00 0.00 C ATOM 1013 CD1 LEU B 127 -29.983 -8.733 -15.561 1.00 0.00 C ATOM 1014 CD2 LEU B 127 -32.443 -9.151 -15.379 1.00 0.00 C ATOM 0 H LEU B 127 -30.055 -12.034 -14.407 1.00 0.00 H new ATOM 0 HA LEU B 127 -32.508 -12.241 -15.792 1.00 0.00 H new ATOM 0 HB2 LEU B 127 -29.907 -10.968 -16.705 1.00 0.00 H new ATOM 0 HB3 LEU B 127 -31.519 -10.583 -17.276 1.00 0.00 H new ATOM 0 HG LEU B 127 -30.909 -10.231 -14.363 1.00 0.00 H new ATOM 0 HD11 LEU B 127 -30.077 -7.956 -14.802 1.00 0.00 H new ATOM 0 HD12 LEU B 127 -29.000 -9.197 -15.485 1.00 0.00 H new ATOM 0 HD13 LEU B 127 -30.099 -8.290 -16.550 1.00 0.00 H new ATOM 0 HD21 LEU B 127 -32.502 -8.367 -14.624 1.00 0.00 H new ATOM 0 HD22 LEU B 127 -32.622 -8.720 -16.364 1.00 0.00 H new ATOM 0 HD23 LEU B 127 -33.196 -9.911 -15.173 1.00 0.00 H new ATOM 1026 N LEU B 128 -29.891 -13.630 -17.261 1.00 0.00 N ATOM 1027 CA LEU B 128 -29.498 -14.589 -18.288 1.00 0.00 C ATOM 1028 C LEU B 128 -30.194 -15.930 -18.076 1.00 0.00 C ATOM 1029 O LEU B 128 -30.632 -16.571 -19.032 1.00 0.00 O ATOM 1030 CB LEU B 128 -27.980 -14.782 -18.277 1.00 0.00 C ATOM 1031 CG LEU B 128 -27.157 -13.676 -18.939 1.00 0.00 C ATOM 1032 CD1 LEU B 128 -25.677 -13.864 -18.645 1.00 0.00 C ATOM 1033 CD2 LEU B 128 -27.407 -13.652 -20.440 1.00 0.00 C ATOM 0 H LEU B 128 -29.116 -13.259 -16.711 1.00 0.00 H new ATOM 0 HA LEU B 128 -29.802 -14.193 -19.257 1.00 0.00 H new ATOM 0 HB2 LEU B 128 -27.654 -14.879 -17.241 1.00 0.00 H new ATOM 0 HB3 LEU B 128 -27.750 -15.725 -18.774 1.00 0.00 H new ATOM 0 HG LEU B 128 -27.469 -12.718 -18.524 1.00 0.00 H new ATOM 0 HD11 LEU B 128 -25.107 -13.068 -19.124 1.00 0.00 H new ATOM 0 HD12 LEU B 128 -25.513 -13.830 -17.568 1.00 0.00 H new ATOM 0 HD13 LEU B 128 -25.349 -14.829 -19.032 1.00 0.00 H new ATOM 0 HD21 LEU B 128 -26.813 -12.859 -20.895 1.00 0.00 H new ATOM 0 HD22 LEU B 128 -27.122 -14.612 -20.872 1.00 0.00 H new ATOM 0 HD23 LEU B 128 -28.464 -13.468 -20.630 1.00 0.00 H new