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 76:sc= 0.409 USER MOD Single : A 25 SER OG : rot 77:sc= 1.04 USER MOD Single : A 26 THR OG1 : rot 67:sc= 0.787 USER MOD Single : B 121 CYS SG : rot 75:sc= 0.442 USER MOD Single : B 125 SER OG : rot 77:sc= 0.896 USER MOD Single : B 126 THR OG1 : rot 68:sc= 0.677 USER MOD ----------------------------------------------------------------- ATOM 171 N VAL A 12 -14.520 2.910 -12.422 1.00 0.00 N ATOM 172 CA VAL A 12 -14.864 1.584 -11.923 1.00 0.00 C ATOM 173 C VAL A 12 -16.039 1.649 -10.954 1.00 0.00 C ATOM 174 O VAL A 12 -17.034 0.944 -11.121 1.00 0.00 O ATOM 175 CB VAL A 12 -13.666 0.922 -11.216 1.00 0.00 C ATOM 176 CG1 VAL A 12 -14.049 -0.453 -10.692 1.00 0.00 C ATOM 177 CG2 VAL A 12 -12.476 0.830 -12.159 1.00 0.00 C ATOM 0 HA VAL A 12 -15.143 0.983 -12.788 1.00 0.00 H new ATOM 0 HB VAL A 12 -13.380 1.541 -10.366 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -13.190 -0.905 -10.196 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -14.869 -0.356 -9.981 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.362 -1.085 -11.523 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.639 0.360 -11.643 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -12.747 0.233 -13.030 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.188 1.831 -12.481 1.00 0.00 H new ATOM 187 N ALA A 13 -15.918 2.501 -9.941 1.00 0.00 N ATOM 188 CA ALA A 13 -16.971 2.660 -8.946 1.00 0.00 C ATOM 189 C ALA A 13 -18.267 3.141 -9.591 1.00 0.00 C ATOM 190 O ALA A 13 -19.359 2.742 -9.186 1.00 0.00 O ATOM 191 CB ALA A 13 -16.529 3.629 -7.860 1.00 0.00 C ATOM 0 H ALA A 13 -15.101 3.092 -9.788 1.00 0.00 H new ATOM 0 HA ALA A 13 -17.160 1.686 -8.494 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -17.325 3.738 -7.124 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -15.634 3.244 -7.372 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -16.311 4.600 -8.305 1.00 0.00 H new ATOM 197 N VAL A 14 -18.138 4.001 -10.597 1.00 0.00 N ATOM 198 CA VAL A 14 -19.299 4.535 -11.298 1.00 0.00 C ATOM 199 C VAL A 14 -20.048 3.435 -12.041 1.00 0.00 C ATOM 200 O VAL A 14 -21.238 3.219 -11.816 1.00 0.00 O ATOM 201 CB VAL A 14 -18.892 5.632 -12.301 1.00 0.00 C ATOM 202 CG1 VAL A 14 -20.111 6.147 -13.052 1.00 0.00 C ATOM 203 CG2 VAL A 14 -18.177 6.768 -11.587 1.00 0.00 C ATOM 0 H VAL A 14 -17.242 4.342 -10.944 1.00 0.00 H new ATOM 0 HA VAL A 14 -19.954 4.968 -10.542 1.00 0.00 H new ATOM 0 HB VAL A 14 -18.203 5.199 -13.027 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -19.805 6.921 -13.756 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -20.577 5.326 -13.596 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -20.826 6.564 -12.343 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -17.897 7.534 -12.311 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -18.840 7.202 -10.838 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -17.281 6.384 -11.099 1.00 0.00 H new ATOM 213 N GLY A 15 -19.342 2.741 -12.928 1.00 0.00 N ATOM 214 CA GLY A 15 -19.956 1.670 -13.690 1.00 0.00 C ATOM 215 C GLY A 15 -20.517 0.576 -12.805 1.00 0.00 C ATOM 216 O GLY A 15 -21.694 0.225 -12.908 1.00 0.00 O ATOM 0 H GLY A 15 -18.356 2.901 -13.132 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -20.756 2.080 -14.307 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -19.218 1.242 -14.368 1.00 0.00 H new ATOM 220 N LEU A 16 -19.675 0.033 -11.933 1.00 0.00 N ATOM 221 CA LEU A 16 -20.093 -1.031 -11.026 1.00 0.00 C ATOM 222 C LEU A 16 -21.343 -0.626 -10.252 1.00 0.00 C ATOM 223 O LEU A 16 -22.334 -1.356 -10.228 1.00 0.00 O ATOM 224 CB LEU A 16 -18.963 -1.371 -10.052 1.00 0.00 C ATOM 225 CG LEU A 16 -17.968 -2.432 -10.522 1.00 0.00 C ATOM 226 CD1 LEU A 16 -16.722 -2.419 -9.650 1.00 0.00 C ATOM 227 CD2 LEU A 16 -18.613 -3.810 -10.512 1.00 0.00 C ATOM 0 H LEU A 16 -18.699 0.312 -11.834 1.00 0.00 H new ATOM 0 HA LEU A 16 -20.327 -1.913 -11.622 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -18.412 -0.457 -9.833 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -19.407 -1.708 -9.115 1.00 0.00 H new ATOM 0 HG LEU A 16 -17.673 -2.198 -11.545 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -16.025 -3.181 -10.000 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -16.248 -1.439 -9.708 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -16.999 -2.627 -8.617 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -17.890 -4.553 -10.850 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -18.937 -4.053 -9.500 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -19.475 -3.813 -11.179 1.00 0.00 H new ATOM 239 N ALA A 17 -21.289 0.543 -9.621 1.00 0.00 N ATOM 240 CA ALA A 17 -22.419 1.047 -8.849 1.00 0.00 C ATOM 241 C ALA A 17 -23.702 1.023 -9.674 1.00 0.00 C ATOM 242 O ALA A 17 -24.720 0.485 -9.240 1.00 0.00 O ATOM 243 CB ALA A 17 -22.133 2.457 -8.356 1.00 0.00 C ATOM 0 H ALA A 17 -20.476 1.158 -9.629 1.00 0.00 H new ATOM 0 HA ALA A 17 -22.560 0.394 -7.988 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -22.985 2.821 -7.781 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -21.245 2.448 -7.723 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -21.964 3.114 -9.209 1.00 0.00 H new ATOM 249 N VAL A 18 -23.645 1.610 -10.866 1.00 0.00 N ATOM 250 CA VAL A 18 -24.802 1.656 -11.751 1.00 0.00 C ATOM 251 C VAL A 18 -25.407 0.268 -11.936 1.00 0.00 C ATOM 252 O VAL A 18 -26.619 0.086 -11.814 1.00 0.00 O ATOM 253 CB VAL A 18 -24.430 2.230 -13.131 1.00 0.00 C ATOM 254 CG1 VAL A 18 -25.641 2.232 -14.053 1.00 0.00 C ATOM 255 CG2 VAL A 18 -23.857 3.631 -12.987 1.00 0.00 C ATOM 0 H VAL A 18 -22.810 2.060 -11.240 1.00 0.00 H new ATOM 0 HA VAL A 18 -25.536 2.310 -11.280 1.00 0.00 H new ATOM 0 HB VAL A 18 -23.666 1.593 -13.577 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -25.359 2.641 -15.023 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -26.003 1.212 -14.181 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -26.430 2.845 -13.616 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -23.599 4.022 -13.971 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -24.598 4.281 -12.521 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -22.962 3.596 -12.365 1.00 0.00 H new ATOM 265 N PHE A 19 -24.556 -0.708 -12.233 1.00 0.00 N ATOM 266 CA PHE A 19 -25.007 -2.080 -12.436 1.00 0.00 C ATOM 267 C PHE A 19 -25.728 -2.604 -11.198 1.00 0.00 C ATOM 268 O PHE A 19 -26.863 -3.072 -11.280 1.00 0.00 O ATOM 269 CB PHE A 19 -23.819 -2.985 -12.769 1.00 0.00 C ATOM 270 CG PHE A 19 -24.142 -4.053 -13.775 1.00 0.00 C ATOM 271 CD1 PHE A 19 -24.199 -3.756 -15.127 1.00 0.00 C ATOM 272 CD2 PHE A 19 -24.391 -5.354 -13.367 1.00 0.00 C ATOM 273 CE1 PHE A 19 -24.497 -4.737 -16.054 1.00 0.00 C ATOM 274 CE2 PHE A 19 -24.689 -6.339 -14.290 1.00 0.00 C ATOM 275 CZ PHE A 19 -24.742 -6.030 -15.635 1.00 0.00 C ATOM 0 H PHE A 19 -23.550 -0.575 -12.339 1.00 0.00 H new ATOM 0 HA PHE A 19 -25.706 -2.087 -13.272 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -23.002 -2.373 -13.151 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -23.463 -3.456 -11.853 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -24.008 -2.747 -15.460 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -24.352 -5.601 -12.316 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -24.538 -4.493 -17.105 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -24.880 -7.349 -13.960 1.00 0.00 H new ATOM 0 HZ PHE A 19 -24.975 -6.798 -16.358 1.00 0.00 H new ATOM 285 N ALA A 20 -25.060 -2.522 -10.053 1.00 0.00 N ATOM 286 CA ALA A 20 -25.637 -2.987 -8.797 1.00 0.00 C ATOM 287 C ALA A 20 -26.941 -2.258 -8.488 1.00 0.00 C ATOM 288 O ALA A 20 -27.893 -2.855 -7.985 1.00 0.00 O ATOM 289 CB ALA A 20 -24.644 -2.799 -7.658 1.00 0.00 C ATOM 0 H ALA A 20 -24.119 -2.138 -9.968 1.00 0.00 H new ATOM 0 HA ALA A 20 -25.860 -4.049 -8.900 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -25.088 -3.150 -6.727 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -23.739 -3.370 -7.866 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -24.393 -1.742 -7.565 1.00 0.00 H new ATOM 295 N CYS A 21 -26.977 -0.965 -8.794 1.00 0.00 N ATOM 296 CA CYS A 21 -28.164 -0.154 -8.549 1.00 0.00 C ATOM 297 C CYS A 21 -29.370 -0.716 -9.294 1.00 0.00 C ATOM 298 O CYS A 21 -30.477 -0.771 -8.756 1.00 0.00 O ATOM 299 CB CYS A 21 -27.916 1.294 -8.973 1.00 0.00 C ATOM 300 SG CYS A 21 -26.844 2.220 -7.849 1.00 0.00 S ATOM 0 H CYS A 21 -26.198 -0.457 -9.212 1.00 0.00 H new ATOM 0 HA CYS A 21 -28.376 -0.180 -7.480 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -27.471 1.299 -9.968 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -28.874 1.808 -9.050 1.00 0.00 H new ATOM 0 HG CYS A 21 -25.609 1.857 -8.030 1.00 0.00 H new ATOM 306 N LEU A 22 -29.150 -1.132 -10.536 1.00 0.00 N ATOM 307 CA LEU A 22 -30.218 -1.689 -11.358 1.00 0.00 C ATOM 308 C LEU A 22 -30.705 -3.018 -10.791 1.00 0.00 C ATOM 309 O LEU A 22 -31.908 -3.283 -10.746 1.00 0.00 O ATOM 310 CB LEU A 22 -29.735 -1.882 -12.797 1.00 0.00 C ATOM 311 CG LEU A 22 -29.963 -0.704 -13.745 1.00 0.00 C ATOM 312 CD1 LEU A 22 -29.395 -1.011 -15.123 1.00 0.00 C ATOM 313 CD2 LEU A 22 -31.445 -0.372 -13.838 1.00 0.00 C ATOM 0 H LEU A 22 -28.241 -1.094 -10.996 1.00 0.00 H new ATOM 0 HA LEU A 22 -31.051 -0.985 -11.352 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -28.668 -2.103 -12.774 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -30.233 -2.758 -13.212 1.00 0.00 H new ATOM 0 HG LEU A 22 -29.442 0.166 -13.345 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -29.566 -0.162 -15.785 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -28.324 -1.198 -15.042 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -29.887 -1.894 -15.531 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -31.588 0.469 -14.517 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -31.989 -1.238 -14.214 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -31.821 -0.108 -12.850 1.00 0.00 H new ATOM 325 N PHE A 23 -29.765 -3.850 -10.356 1.00 0.00 N ATOM 326 CA PHE A 23 -30.098 -5.151 -9.790 1.00 0.00 C ATOM 327 C PHE A 23 -31.036 -5.002 -8.596 1.00 0.00 C ATOM 328 O PHE A 23 -32.024 -5.726 -8.472 1.00 0.00 O ATOM 329 CB PHE A 23 -28.826 -5.888 -9.363 1.00 0.00 C ATOM 330 CG PHE A 23 -29.080 -7.277 -8.853 1.00 0.00 C ATOM 331 CD1 PHE A 23 -30.147 -8.021 -9.331 1.00 0.00 C ATOM 332 CD2 PHE A 23 -28.250 -7.840 -7.897 1.00 0.00 C ATOM 333 CE1 PHE A 23 -30.383 -9.300 -8.864 1.00 0.00 C ATOM 334 CE2 PHE A 23 -28.480 -9.119 -7.426 1.00 0.00 C ATOM 335 CZ PHE A 23 -29.549 -9.850 -7.910 1.00 0.00 C ATOM 0 H PHE A 23 -28.766 -3.646 -10.385 1.00 0.00 H new ATOM 0 HA PHE A 23 -30.606 -5.733 -10.559 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -28.144 -5.940 -10.212 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -28.325 -5.311 -8.586 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -30.802 -7.596 -10.077 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -27.414 -7.273 -7.515 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -31.218 -9.869 -9.244 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -27.826 -9.547 -6.681 1.00 0.00 H new ATOM 0 HZ PHE A 23 -29.732 -10.849 -7.543 1.00 0.00 H new ATOM 345 N LEU A 24 -30.719 -4.056 -7.718 1.00 0.00 N ATOM 346 CA LEU A 24 -31.533 -3.809 -6.532 1.00 0.00 C ATOM 347 C LEU A 24 -32.886 -3.219 -6.914 1.00 0.00 C ATOM 348 O LEU A 24 -33.895 -3.474 -6.254 1.00 0.00 O ATOM 349 CB LEU A 24 -30.803 -2.864 -5.576 1.00 0.00 C ATOM 350 CG LEU A 24 -29.904 -3.528 -4.532 1.00 0.00 C ATOM 351 CD1 LEU A 24 -29.047 -2.489 -3.826 1.00 0.00 C ATOM 352 CD2 LEU A 24 -30.739 -4.306 -3.527 1.00 0.00 C ATOM 0 H LEU A 24 -29.905 -3.448 -7.805 1.00 0.00 H new ATOM 0 HA LEU A 24 -31.701 -4.763 -6.032 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -30.195 -2.180 -6.167 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -31.547 -2.261 -5.055 1.00 0.00 H new ATOM 0 HG LEU A 24 -29.242 -4.227 -5.043 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -28.414 -2.981 -3.087 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -28.421 -1.977 -4.556 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -29.691 -1.764 -3.328 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -30.083 -4.772 -2.792 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -31.426 -3.627 -3.022 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -31.308 -5.078 -4.046 1.00 0.00 H new ATOM 364 N SER A 25 -32.903 -2.431 -7.984 1.00 0.00 N ATOM 365 CA SER A 25 -34.132 -1.802 -8.453 1.00 0.00 C ATOM 366 C SER A 25 -35.063 -2.833 -9.082 1.00 0.00 C ATOM 367 O SER A 25 -36.282 -2.768 -8.920 1.00 0.00 O ATOM 368 CB SER A 25 -33.813 -0.700 -9.465 1.00 0.00 C ATOM 369 OG SER A 25 -33.054 0.337 -8.868 1.00 0.00 O ATOM 0 H SER A 25 -32.078 -2.213 -8.543 1.00 0.00 H new ATOM 0 HA SER A 25 -34.636 -1.360 -7.593 1.00 0.00 H new ATOM 0 HB2 SER A 25 -33.261 -1.122 -10.305 1.00 0.00 H new ATOM 0 HB3 SER A 25 -34.740 -0.291 -9.867 1.00 0.00 H new ATOM 0 HG SER A 25 -32.121 0.050 -8.778 1.00 0.00 H new ATOM 375 N THR A 26 -34.480 -3.787 -9.801 1.00 0.00 N ATOM 376 CA THR A 26 -35.256 -4.833 -10.457 1.00 0.00 C ATOM 377 C THR A 26 -35.923 -5.745 -9.434 1.00 0.00 C ATOM 378 O THR A 26 -37.121 -6.021 -9.522 1.00 0.00 O ATOM 379 CB THR A 26 -34.374 -5.685 -11.390 1.00 0.00 C ATOM 380 OG1 THR A 26 -33.723 -4.845 -12.350 1.00 0.00 O ATOM 381 CG2 THR A 26 -35.205 -6.736 -12.109 1.00 0.00 C ATOM 0 H THR A 26 -33.473 -3.857 -9.944 1.00 0.00 H new ATOM 0 HA THR A 26 -36.023 -4.334 -11.050 1.00 0.00 H new ATOM 0 HB THR A 26 -33.624 -6.191 -10.783 1.00 0.00 H new ATOM 0 HG1 THR A 26 -33.077 -4.266 -11.894 1.00 0.00 H new ATOM 0 HG21 THR A 26 -34.561 -7.325 -12.762 1.00 0.00 H new ATOM 0 HG22 THR A 26 -35.676 -7.391 -11.376 1.00 0.00 H new ATOM 0 HG23 THR A 26 -35.975 -6.246 -12.705 1.00 0.00 H new ATOM 389 N LEU A 27 -35.143 -6.210 -8.465 1.00 0.00 N ATOM 390 CA LEU A 27 -35.660 -7.091 -7.424 1.00 0.00 C ATOM 391 C LEU A 27 -36.699 -6.373 -6.569 1.00 0.00 C ATOM 392 O LEU A 27 -37.692 -6.969 -6.148 1.00 0.00 O ATOM 393 CB LEU A 27 -34.517 -7.595 -6.541 1.00 0.00 C ATOM 394 CG LEU A 27 -33.310 -8.180 -7.275 1.00 0.00 C ATOM 395 CD1 LEU A 27 -32.035 -7.947 -6.478 1.00 0.00 C ATOM 396 CD2 LEU A 27 -33.513 -9.665 -7.537 1.00 0.00 C ATOM 0 H LEU A 27 -34.150 -5.992 -8.378 1.00 0.00 H new ATOM 0 HA LEU A 27 -36.140 -7.942 -7.908 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -34.173 -6.768 -5.919 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -34.912 -8.357 -5.869 1.00 0.00 H new ATOM 0 HG LEU A 27 -33.212 -7.672 -8.234 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -31.187 -8.370 -7.016 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -31.881 -6.876 -6.343 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -32.122 -8.427 -5.503 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -32.644 -10.064 -8.060 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -33.638 -10.188 -6.589 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -34.403 -9.808 -8.150 1.00 0.00 H new ATOM 408 N LEU A 28 -36.467 -5.090 -6.318 1.00 0.00 N ATOM 409 CA LEU A 28 -37.384 -4.289 -5.514 1.00 0.00 C ATOM 410 C LEU A 28 -38.762 -4.225 -6.164 1.00 0.00 C ATOM 411 O LEU A 28 -39.783 -4.401 -5.498 1.00 0.00 O ATOM 412 CB LEU A 28 -36.829 -2.876 -5.327 1.00 0.00 C ATOM 413 CG LEU A 28 -35.865 -2.683 -4.156 1.00 0.00 C ATOM 414 CD1 LEU A 28 -35.104 -1.374 -4.301 1.00 0.00 C ATOM 415 CD2 LEU A 28 -36.619 -2.719 -2.835 1.00 0.00 C ATOM 0 H LEU A 28 -35.652 -4.581 -6.660 1.00 0.00 H new ATOM 0 HA LEU A 28 -37.484 -4.765 -4.538 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -36.318 -2.584 -6.244 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -37.668 -2.192 -5.198 1.00 0.00 H new ATOM 0 HG LEU A 28 -35.145 -3.501 -4.164 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -34.423 -1.254 -3.459 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -34.534 -1.386 -5.230 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -35.809 -0.543 -4.319 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -35.918 -2.580 -2.012 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -37.361 -1.921 -2.818 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -37.119 -3.682 -2.727 1.00 0.00 H new ATOM 427 N LEU A 29 -38.785 -3.974 -7.468 1.00 0.00 N ATOM 428 CA LEU A 29 -40.038 -3.888 -8.209 1.00 0.00 C ATOM 429 C LEU A 29 -40.722 -5.250 -8.281 1.00 0.00 C ATOM 430 O LEU A 29 -41.944 -5.350 -8.158 1.00 0.00 O ATOM 431 CB LEU A 29 -39.783 -3.359 -9.622 1.00 0.00 C ATOM 432 CG LEU A 29 -39.746 -1.838 -9.773 1.00 0.00 C ATOM 433 CD1 LEU A 29 -39.102 -1.447 -11.094 1.00 0.00 C ATOM 434 CD2 LEU A 29 -41.149 -1.257 -9.668 1.00 0.00 C ATOM 0 H LEU A 29 -37.950 -3.826 -8.034 1.00 0.00 H new ATOM 0 HA LEU A 29 -40.696 -3.197 -7.682 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -38.833 -3.762 -9.973 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -40.558 -3.751 -10.280 1.00 0.00 H new ATOM 0 HG LEU A 29 -39.143 -1.427 -8.964 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -39.085 -0.361 -11.183 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -38.082 -1.830 -11.129 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -39.677 -1.870 -11.918 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -41.103 -0.174 -9.778 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -41.776 -1.675 -10.455 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -41.574 -1.506 -8.695 1.00 0.00 H new ATOM 446 N VAL A 30 -39.928 -6.297 -8.476 1.00 0.00 N ATOM 447 CA VAL A 30 -40.456 -7.653 -8.559 1.00 0.00 C ATOM 448 C VAL A 30 -41.281 -7.999 -7.325 1.00 0.00 C ATOM 449 O VAL A 30 -42.396 -8.510 -7.432 1.00 0.00 O ATOM 450 CB VAL A 30 -39.325 -8.688 -8.713 1.00 0.00 C ATOM 451 CG1 VAL A 30 -39.811 -10.073 -8.317 1.00 0.00 C ATOM 452 CG2 VAL A 30 -38.794 -8.687 -10.139 1.00 0.00 C ATOM 0 H VAL A 30 -38.915 -6.232 -8.580 1.00 0.00 H new ATOM 0 HA VAL A 30 -41.095 -7.689 -9.441 1.00 0.00 H new ATOM 0 HB VAL A 30 -38.509 -8.412 -8.045 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -38.999 -10.790 -8.432 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -40.139 -10.060 -7.278 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -40.645 -10.363 -8.957 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -37.996 -9.424 -10.231 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -39.601 -8.938 -10.828 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -38.405 -7.698 -10.382 1.00 0.00 H new ATOM 462 N LEU A 31 -40.726 -7.714 -6.151 1.00 0.00 N ATOM 463 CA LEU A 31 -41.410 -7.995 -4.894 1.00 0.00 C ATOM 464 C LEU A 31 -42.663 -7.135 -4.752 1.00 0.00 C ATOM 465 O LEU A 31 -43.749 -7.644 -4.479 1.00 0.00 O ATOM 466 CB LEU A 31 -40.472 -7.745 -3.712 1.00 0.00 C ATOM 467 CG LEU A 31 -39.437 -8.837 -3.435 1.00 0.00 C ATOM 468 CD1 LEU A 31 -38.302 -8.291 -2.583 1.00 0.00 C ATOM 469 CD2 LEU A 31 -40.090 -10.031 -2.756 1.00 0.00 C ATOM 0 H LEU A 31 -39.805 -7.289 -6.044 1.00 0.00 H new ATOM 0 HA LEU A 31 -41.708 -9.043 -4.898 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -39.944 -6.807 -3.885 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -41.077 -7.610 -2.816 1.00 0.00 H new ATOM 0 HG LEU A 31 -39.023 -9.169 -4.387 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -37.575 -9.081 -2.396 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -37.816 -7.468 -3.108 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -38.700 -7.932 -1.634 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -39.339 -10.798 -2.567 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -40.532 -9.715 -1.811 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -40.868 -10.437 -3.403 1.00 0.00 H new ATOM 789 N VAL B 112 -13.901 -2.844 -2.542 1.00 0.00 N ATOM 790 CA VAL B 112 -14.970 -2.258 -3.341 1.00 0.00 C ATOM 791 C VAL B 112 -15.198 -3.053 -4.623 1.00 0.00 C ATOM 792 O VAL B 112 -16.319 -3.465 -4.919 1.00 0.00 O ATOM 793 CB VAL B 112 -14.660 -0.794 -3.707 1.00 0.00 C ATOM 794 CG1 VAL B 112 -15.780 -0.205 -4.551 1.00 0.00 C ATOM 795 CG2 VAL B 112 -14.438 0.032 -2.449 1.00 0.00 C ATOM 0 HA VAL B 112 -15.873 -2.289 -2.732 1.00 0.00 H new ATOM 0 HB VAL B 112 -13.744 -0.771 -4.297 1.00 0.00 H new ATOM 0 HG11 VAL B 112 -15.543 0.829 -4.799 1.00 0.00 H new ATOM 0 HG12 VAL B 112 -15.887 -0.783 -5.469 1.00 0.00 H new ATOM 0 HG13 VAL B 112 -16.714 -0.238 -3.990 1.00 0.00 H new ATOM 0 HG21 VAL B 112 -14.220 1.064 -2.725 1.00 0.00 H new ATOM 0 HG22 VAL B 112 -15.336 0.003 -1.832 1.00 0.00 H new ATOM 0 HG23 VAL B 112 -13.599 -0.378 -1.888 1.00 0.00 H new ATOM 805 N ALA B 113 -14.126 -3.265 -5.379 1.00 0.00 N ATOM 806 CA ALA B 113 -14.207 -4.012 -6.627 1.00 0.00 C ATOM 807 C ALA B 113 -14.738 -5.423 -6.389 1.00 0.00 C ATOM 808 O ALA B 113 -15.504 -5.952 -7.193 1.00 0.00 O ATOM 809 CB ALA B 113 -12.843 -4.066 -7.300 1.00 0.00 C ATOM 0 H ALA B 113 -13.191 -2.930 -5.148 1.00 0.00 H new ATOM 0 HA ALA B 113 -14.905 -3.495 -7.286 1.00 0.00 H new ATOM 0 HB1 ALA B 113 -12.919 -4.627 -8.231 1.00 0.00 H new ATOM 0 HB2 ALA B 113 -12.502 -3.053 -7.514 1.00 0.00 H new ATOM 0 HB3 ALA B 113 -12.130 -4.557 -6.638 1.00 0.00 H new ATOM 815 N VAL B 114 -14.324 -6.026 -5.279 1.00 0.00 N ATOM 816 CA VAL B 114 -14.758 -7.375 -4.935 1.00 0.00 C ATOM 817 C VAL B 114 -16.258 -7.418 -4.669 1.00 0.00 C ATOM 818 O VAL B 114 -16.990 -8.178 -5.303 1.00 0.00 O ATOM 819 CB VAL B 114 -14.013 -7.904 -3.695 1.00 0.00 C ATOM 820 CG1 VAL B 114 -14.512 -9.293 -3.325 1.00 0.00 C ATOM 821 CG2 VAL B 114 -12.511 -7.917 -3.942 1.00 0.00 C ATOM 0 H VAL B 114 -13.689 -5.602 -4.603 1.00 0.00 H new ATOM 0 HA VAL B 114 -14.525 -8.011 -5.789 1.00 0.00 H new ATOM 0 HB VAL B 114 -14.215 -7.236 -2.858 1.00 0.00 H new ATOM 0 HG11 VAL B 114 -13.974 -9.651 -2.447 1.00 0.00 H new ATOM 0 HG12 VAL B 114 -15.579 -9.250 -3.105 1.00 0.00 H new ATOM 0 HG13 VAL B 114 -14.341 -9.975 -4.158 1.00 0.00 H new ATOM 0 HG21 VAL B 114 -12.000 -8.293 -3.056 1.00 0.00 H new ATOM 0 HG22 VAL B 114 -12.288 -8.562 -4.792 1.00 0.00 H new ATOM 0 HG23 VAL B 114 -12.169 -6.904 -4.156 1.00 0.00 H new ATOM 831 N GLY B 115 -16.711 -6.596 -3.727 1.00 0.00 N ATOM 832 CA GLY B 115 -18.123 -6.556 -3.393 1.00 0.00 C ATOM 833 C GLY B 115 -18.987 -6.171 -4.577 1.00 0.00 C ATOM 834 O GLY B 115 -19.930 -6.885 -4.926 1.00 0.00 O ATOM 0 H GLY B 115 -16.125 -5.957 -3.189 1.00 0.00 H new ATOM 0 HA2 GLY B 115 -18.434 -7.533 -3.023 1.00 0.00 H new ATOM 0 HA3 GLY B 115 -18.282 -5.843 -2.584 1.00 0.00 H new ATOM 838 N LEU B 116 -18.669 -5.041 -5.198 1.00 0.00 N ATOM 839 CA LEU B 116 -19.425 -4.561 -6.350 1.00 0.00 C ATOM 840 C LEU B 116 -19.518 -5.636 -7.427 1.00 0.00 C ATOM 841 O LEU B 116 -20.604 -5.956 -7.909 1.00 0.00 O ATOM 842 CB LEU B 116 -18.773 -3.302 -6.924 1.00 0.00 C ATOM 843 CG LEU B 116 -19.260 -1.971 -6.350 1.00 0.00 C ATOM 844 CD1 LEU B 116 -18.297 -0.851 -6.709 1.00 0.00 C ATOM 845 CD2 LEU B 116 -20.661 -1.655 -6.851 1.00 0.00 C ATOM 0 H LEU B 116 -17.892 -4.439 -4.923 1.00 0.00 H new ATOM 0 HA LEU B 116 -20.434 -4.320 -6.016 1.00 0.00 H new ATOM 0 HB2 LEU B 116 -17.697 -3.371 -6.766 1.00 0.00 H new ATOM 0 HB3 LEU B 116 -18.937 -3.291 -8.002 1.00 0.00 H new ATOM 0 HG LEU B 116 -19.296 -2.057 -5.264 1.00 0.00 H new ATOM 0 HD11 LEU B 116 -18.660 0.088 -6.292 1.00 0.00 H new ATOM 0 HD12 LEU B 116 -17.312 -1.073 -6.299 1.00 0.00 H new ATOM 0 HD13 LEU B 116 -18.228 -0.764 -7.793 1.00 0.00 H new ATOM 0 HD21 LEU B 116 -20.991 -0.704 -6.432 1.00 0.00 H new ATOM 0 HD22 LEU B 116 -20.652 -1.589 -7.939 1.00 0.00 H new ATOM 0 HD23 LEU B 116 -21.345 -2.445 -6.541 1.00 0.00 H new ATOM 857 N ALA B 117 -18.370 -6.194 -7.799 1.00 0.00 N ATOM 858 CA ALA B 117 -18.321 -7.237 -8.816 1.00 0.00 C ATOM 859 C ALA B 117 -19.301 -8.362 -8.497 1.00 0.00 C ATOM 860 O ALA B 117 -20.124 -8.735 -9.331 1.00 0.00 O ATOM 861 CB ALA B 117 -16.907 -7.786 -8.941 1.00 0.00 C ATOM 0 H ALA B 117 -17.461 -5.941 -7.411 1.00 0.00 H new ATOM 0 HA ALA B 117 -18.613 -6.795 -9.769 1.00 0.00 H new ATOM 0 HB1 ALA B 117 -16.885 -8.564 -9.704 1.00 0.00 H new ATOM 0 HB2 ALA B 117 -16.228 -6.981 -9.223 1.00 0.00 H new ATOM 0 HB3 ALA B 117 -16.594 -8.206 -7.985 1.00 0.00 H new ATOM 867 N VAL B 118 -19.205 -8.896 -7.283 1.00 0.00 N ATOM 868 CA VAL B 118 -20.084 -9.978 -6.853 1.00 0.00 C ATOM 869 C VAL B 118 -21.548 -9.630 -7.105 1.00 0.00 C ATOM 870 O VAL B 118 -22.299 -10.429 -7.663 1.00 0.00 O ATOM 871 CB VAL B 118 -19.893 -10.296 -5.358 1.00 0.00 C ATOM 872 CG1 VAL B 118 -20.841 -11.401 -4.923 1.00 0.00 C ATOM 873 CG2 VAL B 118 -18.448 -10.678 -5.076 1.00 0.00 C ATOM 0 H VAL B 118 -18.528 -8.597 -6.581 1.00 0.00 H new ATOM 0 HA VAL B 118 -19.816 -10.856 -7.440 1.00 0.00 H new ATOM 0 HB VAL B 118 -20.127 -9.402 -4.780 1.00 0.00 H new ATOM 0 HG11 VAL B 118 -20.692 -11.612 -3.864 1.00 0.00 H new ATOM 0 HG12 VAL B 118 -21.870 -11.083 -5.088 1.00 0.00 H new ATOM 0 HG13 VAL B 118 -20.642 -12.301 -5.504 1.00 0.00 H new ATOM 0 HG21 VAL B 118 -18.331 -10.899 -4.015 1.00 0.00 H new ATOM 0 HG22 VAL B 118 -18.183 -11.558 -5.662 1.00 0.00 H new ATOM 0 HG23 VAL B 118 -17.793 -9.850 -5.348 1.00 0.00 H new ATOM 883 N PHE B 119 -21.944 -8.431 -6.690 1.00 0.00 N ATOM 884 CA PHE B 119 -23.318 -7.977 -6.870 1.00 0.00 C ATOM 885 C PHE B 119 -23.706 -7.988 -8.346 1.00 0.00 C ATOM 886 O PHE B 119 -24.713 -8.581 -8.730 1.00 0.00 O ATOM 887 CB PHE B 119 -23.492 -6.570 -6.296 1.00 0.00 C ATOM 888 CG PHE B 119 -24.839 -6.338 -5.672 1.00 0.00 C ATOM 889 CD1 PHE B 119 -25.126 -6.830 -4.410 1.00 0.00 C ATOM 890 CD2 PHE B 119 -25.817 -5.629 -6.350 1.00 0.00 C ATOM 891 CE1 PHE B 119 -26.364 -6.619 -3.832 1.00 0.00 C ATOM 892 CE2 PHE B 119 -27.058 -5.414 -5.777 1.00 0.00 C ATOM 893 CZ PHE B 119 -27.331 -5.911 -4.518 1.00 0.00 C ATOM 0 H PHE B 119 -21.334 -7.757 -6.227 1.00 0.00 H new ATOM 0 HA PHE B 119 -23.974 -8.664 -6.335 1.00 0.00 H new ATOM 0 HB2 PHE B 119 -22.719 -6.393 -5.548 1.00 0.00 H new ATOM 0 HB3 PHE B 119 -23.339 -5.841 -7.091 1.00 0.00 H new ATOM 0 HD1 PHE B 119 -24.373 -7.386 -3.870 1.00 0.00 H new ATOM 0 HD2 PHE B 119 -25.609 -5.240 -7.336 1.00 0.00 H new ATOM 0 HE1 PHE B 119 -26.574 -7.007 -2.846 1.00 0.00 H new ATOM 0 HE2 PHE B 119 -27.812 -4.858 -6.314 1.00 0.00 H new ATOM 0 HZ PHE B 119 -28.300 -5.746 -4.070 1.00 0.00 H new ATOM 903 N ALA B 120 -22.899 -7.326 -9.169 1.00 0.00 N ATOM 904 CA ALA B 120 -23.156 -7.259 -10.601 1.00 0.00 C ATOM 905 C ALA B 120 -23.188 -8.654 -11.219 1.00 0.00 C ATOM 906 O ALA B 120 -23.998 -8.932 -12.103 1.00 0.00 O ATOM 907 CB ALA B 120 -22.104 -6.401 -11.287 1.00 0.00 C ATOM 0 H ALA B 120 -22.061 -6.828 -8.867 1.00 0.00 H new ATOM 0 HA ALA B 120 -24.134 -6.802 -10.748 1.00 0.00 H new ATOM 0 HB1 ALA B 120 -22.309 -6.360 -12.357 1.00 0.00 H new ATOM 0 HB2 ALA B 120 -22.131 -5.393 -10.874 1.00 0.00 H new ATOM 0 HB3 ALA B 120 -21.117 -6.834 -11.123 1.00 0.00 H new ATOM 913 N CYS B 121 -22.304 -9.524 -10.746 1.00 0.00 N ATOM 914 CA CYS B 121 -22.231 -10.890 -11.253 1.00 0.00 C ATOM 915 C CYS B 121 -23.565 -11.608 -11.078 1.00 0.00 C ATOM 916 O CYS B 121 -24.035 -12.297 -11.983 1.00 0.00 O ATOM 917 CB CYS B 121 -21.124 -11.664 -10.536 1.00 0.00 C ATOM 918 SG CYS B 121 -19.451 -11.198 -11.040 1.00 0.00 S ATOM 0 H CYS B 121 -21.628 -9.309 -10.013 1.00 0.00 H new ATOM 0 HA CYS B 121 -22.001 -10.844 -12.318 1.00 0.00 H new ATOM 0 HB2 CYS B 121 -21.225 -11.509 -9.462 1.00 0.00 H new ATOM 0 HB3 CYS B 121 -21.263 -12.729 -10.719 1.00 0.00 H new ATOM 0 HG CYS B 121 -19.141 -10.053 -10.508 1.00 0.00 H new ATOM 924 N LEU B 122 -24.169 -11.444 -9.906 1.00 0.00 N ATOM 925 CA LEU B 122 -25.450 -12.076 -9.610 1.00 0.00 C ATOM 926 C LEU B 122 -26.553 -11.518 -10.505 1.00 0.00 C ATOM 927 O LEU B 122 -27.400 -12.262 -11.000 1.00 0.00 O ATOM 928 CB LEU B 122 -25.816 -11.869 -8.140 1.00 0.00 C ATOM 929 CG LEU B 122 -25.481 -13.023 -7.196 1.00 0.00 C ATOM 930 CD1 LEU B 122 -25.876 -12.678 -5.767 1.00 0.00 C ATOM 931 CD2 LEU B 122 -26.173 -14.300 -7.648 1.00 0.00 C ATOM 0 H LEU B 122 -23.792 -10.879 -9.145 1.00 0.00 H new ATOM 0 HA LEU B 122 -25.354 -13.144 -9.807 1.00 0.00 H new ATOM 0 HB2 LEU B 122 -25.307 -10.974 -7.782 1.00 0.00 H new ATOM 0 HB3 LEU B 122 -26.886 -11.674 -8.077 1.00 0.00 H new ATOM 0 HG LEU B 122 -24.404 -13.187 -7.224 1.00 0.00 H new ATOM 0 HD11 LEU B 122 -25.630 -13.512 -5.110 1.00 0.00 H new ATOM 0 HD12 LEU B 122 -25.334 -11.789 -5.444 1.00 0.00 H new ATOM 0 HD13 LEU B 122 -26.948 -12.485 -5.722 1.00 0.00 H new ATOM 0 HD21 LEU B 122 -25.923 -15.111 -6.964 1.00 0.00 H new ATOM 0 HD22 LEU B 122 -27.252 -14.148 -7.651 1.00 0.00 H new ATOM 0 HD23 LEU B 122 -25.840 -14.558 -8.653 1.00 0.00 H new ATOM 943 N PHE B 123 -26.535 -10.206 -10.709 1.00 0.00 N ATOM 944 CA PHE B 123 -27.533 -9.548 -11.545 1.00 0.00 C ATOM 945 C PHE B 123 -27.546 -10.146 -12.948 1.00 0.00 C ATOM 946 O PHE B 123 -28.608 -10.429 -13.505 1.00 0.00 O ATOM 947 CB PHE B 123 -27.254 -8.045 -11.621 1.00 0.00 C ATOM 948 CG PHE B 123 -28.281 -7.285 -12.410 1.00 0.00 C ATOM 949 CD1 PHE B 123 -29.600 -7.709 -12.445 1.00 0.00 C ATOM 950 CD2 PHE B 123 -27.928 -6.145 -13.115 1.00 0.00 C ATOM 951 CE1 PHE B 123 -30.548 -7.011 -13.170 1.00 0.00 C ATOM 952 CE2 PHE B 123 -28.872 -5.444 -13.841 1.00 0.00 C ATOM 953 CZ PHE B 123 -30.183 -5.877 -13.869 1.00 0.00 C ATOM 0 H PHE B 123 -25.840 -9.576 -10.307 1.00 0.00 H new ATOM 0 HA PHE B 123 -28.512 -9.706 -11.093 1.00 0.00 H new ATOM 0 HB2 PHE B 123 -27.211 -7.640 -10.610 1.00 0.00 H new ATOM 0 HB3 PHE B 123 -26.273 -7.888 -12.070 1.00 0.00 H new ATOM 0 HD1 PHE B 123 -29.891 -8.595 -11.900 1.00 0.00 H new ATOM 0 HD2 PHE B 123 -26.904 -5.801 -13.097 1.00 0.00 H new ATOM 0 HE1 PHE B 123 -31.573 -7.352 -13.190 1.00 0.00 H new ATOM 0 HE2 PHE B 123 -28.584 -4.557 -14.387 1.00 0.00 H new ATOM 0 HZ PHE B 123 -30.921 -5.330 -14.436 1.00 0.00 H new ATOM 963 N LEU B 124 -26.360 -10.336 -13.515 1.00 0.00 N ATOM 964 CA LEU B 124 -26.233 -10.900 -14.854 1.00 0.00 C ATOM 965 C LEU B 124 -26.642 -12.370 -14.866 1.00 0.00 C ATOM 966 O LEU B 124 -27.172 -12.870 -15.859 1.00 0.00 O ATOM 967 CB LEU B 124 -24.797 -10.753 -15.357 1.00 0.00 C ATOM 968 CG LEU B 124 -24.483 -9.471 -16.128 1.00 0.00 C ATOM 969 CD1 LEU B 124 -22.986 -9.340 -16.360 1.00 0.00 C ATOM 970 CD2 LEU B 124 -25.233 -9.447 -17.452 1.00 0.00 C ATOM 0 H LEU B 124 -25.472 -10.108 -13.068 1.00 0.00 H new ATOM 0 HA LEU B 124 -26.901 -10.351 -15.518 1.00 0.00 H new ATOM 0 HB2 LEU B 124 -24.126 -10.811 -14.500 1.00 0.00 H new ATOM 0 HB3 LEU B 124 -24.569 -11.604 -15.999 1.00 0.00 H new ATOM 0 HG LEU B 124 -24.813 -8.621 -15.530 1.00 0.00 H new ATOM 0 HD11 LEU B 124 -22.782 -8.421 -16.910 1.00 0.00 H new ATOM 0 HD12 LEU B 124 -22.470 -9.310 -15.400 1.00 0.00 H new ATOM 0 HD13 LEU B 124 -22.631 -10.194 -16.936 1.00 0.00 H new ATOM 0 HD21 LEU B 124 -24.997 -8.527 -17.987 1.00 0.00 H new ATOM 0 HD22 LEU B 124 -24.934 -10.304 -18.055 1.00 0.00 H new ATOM 0 HD23 LEU B 124 -26.306 -9.492 -17.263 1.00 0.00 H new ATOM 982 N SER B 125 -26.392 -13.057 -13.756 1.00 0.00 N ATOM 983 CA SER B 125 -26.731 -14.471 -13.640 1.00 0.00 C ATOM 984 C SER B 125 -28.242 -14.661 -13.547 1.00 0.00 C ATOM 985 O SER B 125 -28.792 -15.633 -14.068 1.00 0.00 O ATOM 986 CB SER B 125 -26.052 -15.081 -12.411 1.00 0.00 C ATOM 987 OG SER B 125 -24.641 -15.030 -12.530 1.00 0.00 O ATOM 0 H SER B 125 -25.956 -12.658 -12.925 1.00 0.00 H new ATOM 0 HA SER B 125 -26.372 -14.980 -14.535 1.00 0.00 H new ATOM 0 HB2 SER B 125 -26.364 -14.544 -11.515 1.00 0.00 H new ATOM 0 HB3 SER B 125 -26.373 -16.116 -12.290 1.00 0.00 H new ATOM 0 HG SER B 125 -24.330 -14.120 -12.343 1.00 0.00 H new ATOM 993 N THR B 126 -28.910 -13.725 -12.880 1.00 0.00 N ATOM 994 CA THR B 126 -30.357 -13.788 -12.717 1.00 0.00 C ATOM 995 C THR B 126 -31.071 -13.534 -14.039 1.00 0.00 C ATOM 996 O THR B 126 -31.968 -14.282 -14.426 1.00 0.00 O ATOM 997 CB THR B 126 -30.850 -12.766 -11.675 1.00 0.00 C ATOM 998 OG1 THR B 126 -30.175 -12.971 -10.430 1.00 0.00 O ATOM 999 CG2 THR B 126 -32.353 -12.885 -11.469 1.00 0.00 C ATOM 0 H THR B 126 -28.472 -12.914 -12.444 1.00 0.00 H new ATOM 0 HA THR B 126 -30.592 -14.794 -12.368 1.00 0.00 H new ATOM 0 HB THR B 126 -30.628 -11.766 -12.047 1.00 0.00 H new ATOM 0 HG1 THR B 126 -29.228 -12.740 -10.529 1.00 0.00 H new ATOM 0 HG21 THR B 126 -32.678 -12.154 -10.729 1.00 0.00 H new ATOM 0 HG22 THR B 126 -32.865 -12.699 -12.413 1.00 0.00 H new ATOM 0 HG23 THR B 126 -32.594 -13.888 -11.117 1.00 0.00 H new ATOM 1007 N LEU B 127 -30.667 -12.473 -14.730 1.00 0.00 N ATOM 1008 CA LEU B 127 -31.268 -12.120 -16.012 1.00 0.00 C ATOM 1009 C LEU B 127 -31.001 -13.200 -17.054 1.00 0.00 C ATOM 1010 O LEU B 127 -31.836 -13.462 -17.922 1.00 0.00 O ATOM 1011 CB LEU B 127 -30.722 -10.777 -16.500 1.00 0.00 C ATOM 1012 CG LEU B 127 -30.750 -9.633 -15.487 1.00 0.00 C ATOM 1013 CD1 LEU B 127 -29.598 -8.671 -15.736 1.00 0.00 C ATOM 1014 CD2 LEU B 127 -32.082 -8.899 -15.547 1.00 0.00 C ATOM 0 H LEU B 127 -29.926 -11.842 -14.424 1.00 0.00 H new ATOM 0 HA LEU B 127 -32.346 -12.037 -15.870 1.00 0.00 H new ATOM 0 HB2 LEU B 127 -29.692 -10.923 -16.825 1.00 0.00 H new ATOM 0 HB3 LEU B 127 -31.293 -10.473 -17.377 1.00 0.00 H new ATOM 0 HG LEU B 127 -30.635 -10.055 -14.489 1.00 0.00 H new ATOM 0 HD11 LEU B 127 -29.634 -7.863 -15.005 1.00 0.00 H new ATOM 0 HD12 LEU B 127 -28.652 -9.204 -15.641 1.00 0.00 H new ATOM 0 HD13 LEU B 127 -29.681 -8.256 -16.740 1.00 0.00 H new ATOM 0 HD21 LEU B 127 -32.084 -8.088 -14.819 1.00 0.00 H new ATOM 0 HD22 LEU B 127 -32.227 -8.490 -16.547 1.00 0.00 H new ATOM 0 HD23 LEU B 127 -32.891 -9.593 -15.318 1.00 0.00 H new ATOM 1026 N LEU B 128 -29.833 -13.827 -16.964 1.00 0.00 N ATOM 1027 CA LEU B 128 -29.455 -14.881 -17.899 1.00 0.00 C ATOM 1028 C LEU B 128 -30.296 -16.134 -17.674 1.00 0.00 C ATOM 1029 O LEU B 128 -30.699 -16.803 -18.627 1.00 0.00 O ATOM 1030 CB LEU B 128 -27.970 -15.216 -17.749 1.00 0.00 C ATOM 1031 CG LEU B 128 -27.002 -14.346 -18.550 1.00 0.00 C ATOM 1032 CD1 LEU B 128 -25.583 -14.507 -18.028 1.00 0.00 C ATOM 1033 CD2 LEU B 128 -27.071 -14.695 -20.030 1.00 0.00 C ATOM 0 H LEU B 128 -29.131 -13.624 -16.253 1.00 0.00 H new ATOM 0 HA LEU B 128 -29.638 -14.518 -18.911 1.00 0.00 H new ATOM 0 HB2 LEU B 128 -27.706 -15.142 -16.694 1.00 0.00 H new ATOM 0 HB3 LEU B 128 -27.821 -16.255 -18.042 1.00 0.00 H new ATOM 0 HG LEU B 128 -27.295 -13.303 -18.429 1.00 0.00 H new ATOM 0 HD11 LEU B 128 -24.908 -13.880 -18.610 1.00 0.00 H new ATOM 0 HD12 LEU B 128 -25.544 -14.207 -16.981 1.00 0.00 H new ATOM 0 HD13 LEU B 128 -25.278 -15.550 -18.118 1.00 0.00 H new ATOM 0 HD21 LEU B 128 -26.375 -14.066 -20.585 1.00 0.00 H new ATOM 0 HD22 LEU B 128 -26.804 -15.742 -20.170 1.00 0.00 H new ATOM 0 HD23 LEU B 128 -28.084 -14.527 -20.397 1.00 0.00 H new