USER MOD reduce.3.24.130724 H: found=0, std=0, add=288, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 288 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 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 113 TYR OH : rot 180:sc= 0 USER MOD Single : B 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 155 N PRO A 11 2.436 -13.901 1.475 1.00 0.00 N ATOM 156 CA PRO A 11 1.072 -13.628 1.012 1.00 0.00 C ATOM 157 C PRO A 11 0.695 -14.462 -0.206 1.00 0.00 C ATOM 158 O PRO A 11 -0.450 -14.433 -0.661 1.00 0.00 O ATOM 159 CB PRO A 11 1.112 -12.140 0.651 1.00 0.00 C ATOM 160 CG PRO A 11 2.542 -11.866 0.334 1.00 0.00 C ATOM 161 CD PRO A 11 3.345 -12.769 1.228 1.00 0.00 C ATOM 0 HA PRO A 11 0.327 -13.878 1.768 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.469 -11.922 -0.201 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.764 -11.522 1.479 1.00 0.00 H new ATOM 0 HG2 PRO A 11 2.754 -12.067 -0.716 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.788 -10.819 0.514 1.00 0.00 H new ATOM 0 HD2 PRO A 11 4.268 -13.093 0.747 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.626 -12.270 2.155 1.00 0.00 H new ATOM 169 N VAL A 12 1.663 -15.205 -0.732 1.00 0.00 N ATOM 170 CA VAL A 12 1.431 -16.050 -1.897 1.00 0.00 C ATOM 171 C VAL A 12 0.195 -16.922 -1.708 1.00 0.00 C ATOM 172 O VAL A 12 -0.468 -17.294 -2.675 1.00 0.00 O ATOM 173 CB VAL A 12 2.644 -16.955 -2.185 1.00 0.00 C ATOM 174 CG1 VAL A 12 2.645 -18.159 -1.256 1.00 0.00 C ATOM 175 CG2 VAL A 12 2.647 -17.394 -3.642 1.00 0.00 C ATOM 0 H VAL A 12 2.616 -15.239 -0.370 1.00 0.00 H new ATOM 0 HA VAL A 12 1.275 -15.383 -2.744 1.00 0.00 H new ATOM 0 HB VAL A 12 3.554 -16.384 -2.000 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.509 -18.786 -1.475 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.695 -17.820 -0.221 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.732 -18.735 -1.405 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.511 -18.033 -3.828 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.733 -17.948 -3.857 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.699 -16.516 -4.286 1.00 0.00 H new ATOM 185 N TYR A 13 -0.110 -17.242 -0.455 1.00 0.00 N ATOM 186 CA TYR A 13 -1.265 -18.073 -0.138 1.00 0.00 C ATOM 187 C TYR A 13 -2.566 -17.331 -0.429 1.00 0.00 C ATOM 188 O TYR A 13 -3.458 -17.855 -1.098 1.00 0.00 O ATOM 189 CB TYR A 13 -1.225 -18.500 1.330 1.00 0.00 C ATOM 190 CG TYR A 13 0.132 -18.989 1.782 1.00 0.00 C ATOM 191 CD1 TYR A 13 0.889 -19.836 0.982 1.00 0.00 C ATOM 192 CD2 TYR A 13 0.658 -18.604 3.010 1.00 0.00 C ATOM 193 CE1 TYR A 13 2.129 -20.286 1.390 1.00 0.00 C ATOM 194 CE2 TYR A 13 1.898 -19.048 3.426 1.00 0.00 C ATOM 195 CZ TYR A 13 2.629 -19.888 2.613 1.00 0.00 C ATOM 196 OH TYR A 13 3.865 -20.334 3.026 1.00 0.00 O ATOM 0 H TYR A 13 0.427 -16.938 0.357 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.226 -18.961 -0.769 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.524 -17.657 1.953 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.958 -19.290 1.490 1.00 0.00 H new ATOM 0 HD1 TYR A 13 0.501 -20.148 0.024 1.00 0.00 H new ATOM 0 HD2 TYR A 13 0.087 -17.947 3.649 1.00 0.00 H new ATOM 0 HE1 TYR A 13 2.704 -20.945 0.756 1.00 0.00 H new ATOM 0 HE2 TYR A 13 2.293 -18.739 4.383 1.00 0.00 H new ATOM 0 HH TYR A 13 4.069 -19.960 3.909 1.00 0.00 H new ATOM 206 N CYS A 14 -2.667 -16.107 0.076 1.00 0.00 N ATOM 207 CA CYS A 14 -3.858 -15.290 -0.128 1.00 0.00 C ATOM 208 C CYS A 14 -4.045 -14.963 -1.607 1.00 0.00 C ATOM 209 O CYS A 14 -5.170 -14.831 -2.086 1.00 0.00 O ATOM 210 CB CYS A 14 -3.759 -13.997 0.684 1.00 0.00 C ATOM 211 SG CYS A 14 -5.372 -13.287 1.148 1.00 0.00 S ATOM 0 H CYS A 14 -1.938 -15.658 0.630 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.723 -15.859 0.212 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -3.185 -14.192 1.590 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -3.202 -13.259 0.107 1.00 0.00 H new ATOM 216 N SER A 15 -2.934 -14.833 -2.323 1.00 0.00 N ATOM 217 CA SER A 15 -2.974 -14.517 -3.747 1.00 0.00 C ATOM 218 C SER A 15 -3.434 -15.725 -4.559 1.00 0.00 C ATOM 219 O SER A 15 -4.370 -15.631 -5.353 1.00 0.00 O ATOM 220 CB SER A 15 -1.597 -14.059 -4.229 1.00 0.00 C ATOM 221 OG SER A 15 -1.327 -12.731 -3.816 1.00 0.00 O ATOM 0 H SER A 15 -1.994 -14.941 -1.941 1.00 0.00 H new ATOM 0 HA SER A 15 -3.690 -13.708 -3.894 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.830 -14.728 -3.837 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.550 -14.122 -5.316 1.00 0.00 H new ATOM 0 HG SER A 15 -0.440 -12.463 -4.135 1.00 0.00 H new ATOM 227 N ILE A 16 -2.769 -16.856 -4.352 1.00 0.00 N ATOM 228 CA ILE A 16 -3.111 -18.083 -5.062 1.00 0.00 C ATOM 229 C ILE A 16 -4.501 -18.575 -4.670 1.00 0.00 C ATOM 230 O ILE A 16 -5.244 -19.097 -5.503 1.00 0.00 O ATOM 231 CB ILE A 16 -2.087 -19.198 -4.784 1.00 0.00 C ATOM 232 CG1 ILE A 16 -0.686 -18.750 -5.206 1.00 0.00 C ATOM 233 CG2 ILE A 16 -2.482 -20.474 -5.513 1.00 0.00 C ATOM 234 CD1 ILE A 16 0.424 -19.532 -4.540 1.00 0.00 C ATOM 0 H ILE A 16 -1.991 -16.949 -3.699 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.098 -17.847 -6.126 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.076 -19.402 -3.713 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.592 -18.850 -6.287 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.566 -17.692 -4.972 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.748 -21.253 -5.307 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.464 -20.800 -5.170 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.517 -20.284 -6.586 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.389 -19.161 -4.886 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.355 -19.412 -3.459 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.329 -20.588 -4.795 1.00 0.00 H new ATOM 246 N LEU A 17 -4.847 -18.403 -3.399 1.00 0.00 N ATOM 247 CA LEU A 17 -6.148 -18.828 -2.897 1.00 0.00 C ATOM 248 C LEU A 17 -7.271 -18.024 -3.543 1.00 0.00 C ATOM 249 O LEU A 17 -8.174 -18.585 -4.163 1.00 0.00 O ATOM 250 CB LEU A 17 -6.205 -18.674 -1.375 1.00 0.00 C ATOM 251 CG LEU A 17 -7.578 -18.872 -0.732 1.00 0.00 C ATOM 252 CD1 LEU A 17 -7.432 -19.469 0.660 1.00 0.00 C ATOM 253 CD2 LEU A 17 -8.336 -17.554 -0.672 1.00 0.00 C ATOM 0 H LEU A 17 -4.245 -17.972 -2.698 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.284 -19.878 -3.155 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.512 -19.388 -0.931 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.845 -17.678 -1.117 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.149 -19.567 -1.347 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.419 -19.603 1.104 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.931 -20.434 0.591 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.842 -18.797 1.284 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -9.311 -17.715 -0.211 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.769 -16.835 -0.080 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.472 -17.166 -1.682 1.00 0.00 H new ATOM 265 N ALA A 18 -7.206 -16.704 -3.398 1.00 0.00 N ATOM 266 CA ALA A 18 -8.214 -15.821 -3.972 1.00 0.00 C ATOM 267 C ALA A 18 -8.441 -16.134 -5.447 1.00 0.00 C ATOM 268 O ALA A 18 -9.579 -16.281 -5.891 1.00 0.00 O ATOM 269 CB ALA A 18 -7.804 -14.366 -3.795 1.00 0.00 C ATOM 0 H ALA A 18 -6.465 -16.223 -2.888 1.00 0.00 H new ATOM 0 HA ALA A 18 -9.152 -15.989 -3.443 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -8.566 -13.718 -4.228 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.700 -14.144 -2.733 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.852 -14.193 -4.297 1.00 0.00 H new ATOM 275 N ALA A 19 -7.351 -16.233 -6.201 1.00 0.00 N ATOM 276 CA ALA A 19 -7.431 -16.528 -7.625 1.00 0.00 C ATOM 277 C ALA A 19 -8.258 -17.784 -7.880 1.00 0.00 C ATOM 278 O ALA A 19 -9.203 -17.768 -8.669 1.00 0.00 O ATOM 279 CB ALA A 19 -6.036 -16.685 -8.212 1.00 0.00 C ATOM 0 H ALA A 19 -6.402 -16.113 -5.848 1.00 0.00 H new ATOM 0 HA ALA A 19 -7.928 -15.691 -8.116 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.112 -16.905 -9.277 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.476 -15.760 -8.072 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.519 -17.502 -7.709 1.00 0.00 H new ATOM 285 N VAL A 20 -7.897 -18.872 -7.207 1.00 0.00 N ATOM 286 CA VAL A 20 -8.606 -20.137 -7.360 1.00 0.00 C ATOM 287 C VAL A 20 -10.098 -19.964 -7.100 1.00 0.00 C ATOM 288 O VAL A 20 -10.930 -20.343 -7.926 1.00 0.00 O ATOM 289 CB VAL A 20 -8.050 -21.210 -6.406 1.00 0.00 C ATOM 290 CG1 VAL A 20 -8.804 -22.521 -6.580 1.00 0.00 C ATOM 291 CG2 VAL A 20 -6.560 -21.407 -6.636 1.00 0.00 C ATOM 0 H VAL A 20 -7.117 -18.903 -6.550 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.455 -20.464 -8.389 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.193 -20.870 -5.380 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.398 -23.268 -5.898 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -9.860 -22.365 -6.360 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.695 -22.870 -7.607 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.184 -22.169 -5.953 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.390 -21.726 -7.664 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.037 -20.468 -6.456 1.00 0.00 H new ATOM 301 N VAL A 21 -10.432 -19.391 -5.949 1.00 0.00 N ATOM 302 CA VAL A 21 -11.824 -19.167 -5.580 1.00 0.00 C ATOM 303 C VAL A 21 -12.544 -18.331 -6.632 1.00 0.00 C ATOM 304 O VAL A 21 -13.609 -18.709 -7.120 1.00 0.00 O ATOM 305 CB VAL A 21 -11.938 -18.464 -4.215 1.00 0.00 C ATOM 306 CG1 VAL A 21 -13.397 -18.283 -3.827 1.00 0.00 C ATOM 307 CG2 VAL A 21 -11.187 -19.246 -3.149 1.00 0.00 C ATOM 0 H VAL A 21 -9.756 -19.073 -5.255 1.00 0.00 H new ATOM 0 HA VAL A 21 -12.295 -20.148 -5.515 1.00 0.00 H new ATOM 0 HB VAL A 21 -11.484 -17.476 -4.296 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -13.457 -17.784 -2.860 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -13.901 -17.677 -4.580 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -13.880 -19.258 -3.763 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -11.278 -18.735 -2.191 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -11.609 -20.248 -3.067 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.135 -19.317 -3.424 1.00 0.00 H new ATOM 317 N VAL A 22 -11.954 -17.191 -6.979 1.00 0.00 N ATOM 318 CA VAL A 22 -12.538 -16.301 -7.975 1.00 0.00 C ATOM 319 C VAL A 22 -12.926 -17.065 -9.236 1.00 0.00 C ATOM 320 O VAL A 22 -14.088 -17.071 -9.639 1.00 0.00 O ATOM 321 CB VAL A 22 -11.566 -15.168 -8.354 1.00 0.00 C ATOM 322 CG1 VAL A 22 -12.125 -14.346 -9.506 1.00 0.00 C ATOM 323 CG2 VAL A 22 -11.280 -14.286 -7.148 1.00 0.00 C ATOM 0 H VAL A 22 -11.072 -16.863 -6.585 1.00 0.00 H new ATOM 0 HA VAL A 22 -13.432 -15.868 -7.526 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.626 -15.614 -8.681 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.424 -13.551 -9.759 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.273 -14.989 -10.374 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -13.079 -13.909 -9.212 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -10.592 -13.491 -7.434 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -12.211 -13.848 -6.789 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -10.832 -14.886 -6.356 1.00 0.00 H new ATOM 333 N GLY A 23 -11.942 -17.713 -9.856 1.00 0.00 N ATOM 334 CA GLY A 23 -12.201 -18.473 -11.064 1.00 0.00 C ATOM 335 C GLY A 23 -13.291 -19.511 -10.874 1.00 0.00 C ATOM 336 O GLY A 23 -14.051 -19.800 -11.799 1.00 0.00 O ATOM 0 H GLY A 23 -10.972 -17.724 -9.542 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -12.489 -17.791 -11.864 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.283 -18.968 -11.382 1.00 0.00 H new ATOM 340 N LEU A 24 -13.367 -20.073 -9.673 1.00 0.00 N ATOM 341 CA LEU A 24 -14.373 -21.084 -9.364 1.00 0.00 C ATOM 342 C LEU A 24 -15.780 -20.518 -9.516 1.00 0.00 C ATOM 343 O LEU A 24 -16.607 -21.068 -10.244 1.00 0.00 O ATOM 344 CB LEU A 24 -14.174 -21.611 -7.943 1.00 0.00 C ATOM 345 CG LEU A 24 -13.677 -23.053 -7.825 1.00 0.00 C ATOM 346 CD1 LEU A 24 -14.527 -23.982 -8.677 1.00 0.00 C ATOM 347 CD2 LEU A 24 -12.213 -23.147 -8.229 1.00 0.00 C ATOM 0 H LEU A 24 -12.745 -19.846 -8.897 1.00 0.00 H new ATOM 0 HA LEU A 24 -14.255 -21.906 -10.070 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -13.465 -20.960 -7.432 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -15.122 -21.530 -7.411 1.00 0.00 H new ATOM 0 HG LEU A 24 -13.767 -23.364 -6.784 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -14.158 -25.003 -8.580 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -15.563 -23.937 -8.342 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -14.470 -23.673 -9.721 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.876 -24.180 -8.139 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -12.099 -22.817 -9.261 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -11.614 -22.512 -7.576 1.00 0.00 H new ATOM 359 N VAL A 25 -16.046 -19.413 -8.827 1.00 0.00 N ATOM 360 CA VAL A 25 -17.352 -18.769 -8.889 1.00 0.00 C ATOM 361 C VAL A 25 -17.675 -18.317 -10.308 1.00 0.00 C ATOM 362 O VAL A 25 -18.834 -18.318 -10.722 1.00 0.00 O ATOM 363 CB VAL A 25 -17.423 -17.552 -7.946 1.00 0.00 C ATOM 364 CG1 VAL A 25 -18.778 -16.869 -8.058 1.00 0.00 C ATOM 365 CG2 VAL A 25 -17.145 -17.973 -6.511 1.00 0.00 C ATOM 0 H VAL A 25 -15.374 -18.945 -8.219 1.00 0.00 H new ATOM 0 HA VAL A 25 -18.086 -19.510 -8.571 1.00 0.00 H new ATOM 0 HB VAL A 25 -16.657 -16.837 -8.245 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -18.810 -16.012 -7.385 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -18.932 -16.532 -9.083 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -19.564 -17.573 -7.786 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -17.199 -17.101 -5.859 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -17.887 -18.708 -6.197 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -16.150 -18.412 -6.447 1.00 0.00 H new ATOM 375 N ALA A 26 -16.642 -17.932 -11.051 1.00 0.00 N ATOM 376 CA ALA A 26 -16.815 -17.479 -12.426 1.00 0.00 C ATOM 377 C ALA A 26 -17.083 -18.654 -13.360 1.00 0.00 C ATOM 378 O ALA A 26 -17.703 -18.493 -14.413 1.00 0.00 O ATOM 379 CB ALA A 26 -15.589 -16.705 -12.885 1.00 0.00 C ATOM 0 H ALA A 26 -15.676 -17.925 -10.723 1.00 0.00 H new ATOM 0 HA ALA A 26 -17.681 -16.817 -12.459 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -15.732 -16.373 -13.913 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -15.444 -15.838 -12.241 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -14.711 -17.349 -12.831 1.00 0.00 H new ATOM 385 N TYR A 27 -16.614 -19.833 -12.970 1.00 0.00 N ATOM 386 CA TYR A 27 -16.802 -21.034 -13.775 1.00 0.00 C ATOM 387 C TYR A 27 -18.227 -21.562 -13.641 1.00 0.00 C ATOM 388 O TYR A 27 -18.866 -21.917 -14.633 1.00 0.00 O ATOM 389 CB TYR A 27 -15.804 -22.116 -13.356 1.00 0.00 C ATOM 390 CG TYR A 27 -15.989 -23.426 -14.087 1.00 0.00 C ATOM 391 CD1 TYR A 27 -15.535 -23.588 -15.390 1.00 0.00 C ATOM 392 CD2 TYR A 27 -16.617 -24.503 -13.473 1.00 0.00 C ATOM 393 CE1 TYR A 27 -15.702 -24.784 -16.061 1.00 0.00 C ATOM 394 CE2 TYR A 27 -16.787 -25.703 -14.137 1.00 0.00 C ATOM 395 CZ TYR A 27 -16.330 -25.838 -15.431 1.00 0.00 C ATOM 396 OH TYR A 27 -16.497 -27.031 -16.095 1.00 0.00 O ATOM 0 H TYR A 27 -16.101 -19.983 -12.101 1.00 0.00 H new ATOM 0 HA TYR A 27 -16.627 -20.772 -14.819 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -14.792 -21.752 -13.531 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -15.899 -22.291 -12.284 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -15.043 -22.765 -15.887 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -16.978 -24.400 -12.460 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -15.343 -24.893 -17.074 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -17.275 -26.531 -13.645 1.00 0.00 H new ATOM 0 HH TYR A 27 -16.956 -27.669 -15.510 1.00 0.00 H new ATOM 406 N ILE A 28 -18.719 -21.612 -12.407 1.00 0.00 N ATOM 407 CA ILE A 28 -20.068 -22.095 -12.142 1.00 0.00 C ATOM 408 C ILE A 28 -21.113 -21.060 -12.547 1.00 0.00 C ATOM 409 O ILE A 28 -22.032 -21.357 -13.310 1.00 0.00 O ATOM 410 CB ILE A 28 -20.259 -22.446 -10.655 1.00 0.00 C ATOM 411 CG1 ILE A 28 -19.261 -23.524 -10.230 1.00 0.00 C ATOM 412 CG2 ILE A 28 -21.686 -22.906 -10.398 1.00 0.00 C ATOM 413 CD1 ILE A 28 -18.649 -23.280 -8.869 1.00 0.00 C ATOM 0 H ILE A 28 -18.203 -21.324 -11.576 1.00 0.00 H new ATOM 0 HA ILE A 28 -20.203 -22.997 -12.740 1.00 0.00 H new ATOM 0 HB ILE A 28 -20.074 -21.552 -10.060 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -19.764 -24.491 -10.225 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -18.465 -23.583 -10.972 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -21.805 -23.150 -9.342 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -22.379 -22.109 -10.666 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -21.898 -23.789 -11.001 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -17.952 -24.084 -8.634 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -18.117 -22.329 -8.875 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -19.436 -23.251 -8.116 1.00 0.00 H new ATOM 425 N ALA A 29 -20.962 -19.844 -12.033 1.00 0.00 N ATOM 426 CA ALA A 29 -21.891 -18.763 -12.344 1.00 0.00 C ATOM 427 C ALA A 29 -22.069 -18.610 -13.850 1.00 0.00 C ATOM 428 O ALA A 29 -23.174 -18.761 -14.373 1.00 0.00 O ATOM 429 CB ALA A 29 -21.404 -17.458 -11.732 1.00 0.00 C ATOM 0 H ALA A 29 -20.206 -19.582 -11.400 1.00 0.00 H new ATOM 0 HA ALA A 29 -22.861 -19.014 -11.914 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -22.106 -16.659 -11.972 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -21.334 -17.567 -10.650 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -20.422 -17.211 -12.136 1.00 0.00 H new ATOM 435 N PHE A 30 -20.977 -18.308 -14.544 1.00 0.00 N ATOM 436 CA PHE A 30 -21.013 -18.133 -15.991 1.00 0.00 C ATOM 437 C PHE A 30 -21.663 -19.336 -16.668 1.00 0.00 C ATOM 438 O PHE A 30 -22.279 -19.209 -17.727 1.00 0.00 O ATOM 439 CB PHE A 30 -19.598 -17.929 -16.537 1.00 0.00 C ATOM 440 CG PHE A 30 -19.553 -17.737 -18.026 1.00 0.00 C ATOM 441 CD1 PHE A 30 -20.421 -16.856 -18.651 1.00 0.00 C ATOM 442 CD2 PHE A 30 -18.642 -18.437 -18.800 1.00 0.00 C ATOM 443 CE1 PHE A 30 -20.381 -16.677 -20.021 1.00 0.00 C ATOM 444 CE2 PHE A 30 -18.597 -18.262 -20.171 1.00 0.00 C ATOM 445 CZ PHE A 30 -19.469 -17.382 -20.782 1.00 0.00 C ATOM 0 H PHE A 30 -20.055 -18.179 -14.127 1.00 0.00 H new ATOM 0 HA PHE A 30 -21.610 -17.248 -16.210 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -19.152 -17.060 -16.053 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -18.986 -18.791 -16.271 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -21.137 -16.303 -18.061 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -17.959 -19.127 -18.327 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -21.062 -15.987 -20.496 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -17.881 -18.813 -20.763 1.00 0.00 H new ATOM 0 HZ PHE A 30 -19.438 -17.245 -21.853 1.00 0.00 H new ATOM 455 N LYS A 31 -21.520 -20.503 -16.051 1.00 0.00 N ATOM 456 CA LYS A 31 -22.093 -21.731 -16.590 1.00 0.00 C ATOM 457 C LYS A 31 -23.599 -21.780 -16.350 1.00 0.00 C ATOM 458 O LYS A 31 -24.356 -22.260 -17.193 1.00 0.00 O ATOM 459 CB LYS A 31 -21.425 -22.952 -15.957 1.00 0.00 C ATOM 460 CG LYS A 31 -20.292 -23.526 -16.790 1.00 0.00 C ATOM 461 CD LYS A 31 -20.812 -24.442 -17.884 1.00 0.00 C ATOM 462 CE LYS A 31 -19.738 -25.409 -18.361 1.00 0.00 C ATOM 463 NZ LYS A 31 -20.317 -26.558 -19.107 1.00 0.00 N1+ ATOM 0 H LYS A 31 -21.011 -20.625 -15.175 1.00 0.00 H new ATOM 0 HA LYS A 31 -21.913 -21.744 -17.665 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -21.040 -22.677 -14.975 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -22.176 -23.726 -15.799 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -19.720 -22.713 -17.237 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -19.609 -24.079 -16.145 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -21.669 -25.003 -17.513 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -21.163 -23.843 -18.725 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -19.032 -24.880 -19.001 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -19.176 -25.779 -17.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -19.553 -27.193 -19.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -20.972 -27.078 -18.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -20.832 -26.207 -19.940 1.00 0.00 H new ATOM 477 N ARG A 32 -24.026 -21.279 -15.195 1.00 0.00 N ATOM 478 CA ARG A 32 -25.441 -21.266 -14.845 1.00 0.00 C ATOM 479 C ARG A 32 -26.232 -20.384 -15.806 1.00 0.00 C ATOM 480 O ARG A 32 -27.355 -20.714 -16.185 1.00 0.00 O ATOM 481 CB ARG A 32 -25.627 -20.771 -13.409 1.00 0.00 C ATOM 482 CG ARG A 32 -26.806 -21.410 -12.693 1.00 0.00 C ATOM 483 CD ARG A 32 -28.063 -20.565 -12.824 1.00 0.00 C ATOM 484 NE ARG A 32 -27.945 -19.295 -12.114 1.00 0.00 N ATOM 485 CZ ARG A 32 -27.979 -19.187 -10.791 1.00 0.00 C ATOM 486 NH1 ARG A 32 -28.125 -20.267 -10.037 1.00 0.00 N1+ ATOM 487 NH2 ARG A 32 -27.864 -17.994 -10.218 1.00 0.00 N ATOM 0 H ARG A 32 -23.412 -20.877 -14.486 1.00 0.00 H new ATOM 0 HA ARG A 32 -25.819 -22.286 -14.923 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -24.717 -20.972 -12.844 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -25.763 -19.690 -13.421 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -26.989 -22.402 -13.105 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -26.564 -21.543 -11.639 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -28.263 -20.374 -13.878 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -28.916 -21.121 -12.434 1.00 0.00 H new ATOM 0 HE ARG A 32 -27.830 -18.444 -12.664 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -28.212 -21.185 -10.473 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -28.151 -20.180 -9.021 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -27.750 -17.160 -10.794 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -27.890 -17.912 -9.202 1.00 0.00 H new ATOM 808 N PRO B 111 -7.679 -13.397 9.696 1.00 0.00 N ATOM 809 CA PRO B 111 -7.908 -13.786 8.301 1.00 0.00 C ATOM 810 C PRO B 111 -8.995 -12.949 7.637 1.00 0.00 C ATOM 811 O PRO B 111 -9.243 -13.073 6.437 1.00 0.00 O ATOM 812 CB PRO B 111 -8.352 -15.247 8.410 1.00 0.00 C ATOM 813 CG PRO B 111 -8.929 -15.367 9.778 1.00 0.00 C ATOM 814 CD PRO B 111 -8.142 -14.422 10.644 1.00 0.00 C ATOM 0 HA PRO B 111 -7.020 -13.639 7.686 1.00 0.00 H new ATOM 0 HB2 PRO B 111 -9.089 -15.495 7.646 1.00 0.00 H new ATOM 0 HB3 PRO B 111 -7.511 -15.927 8.274 1.00 0.00 H new ATOM 0 HG2 PRO B 111 -9.988 -15.107 9.779 1.00 0.00 H new ATOM 0 HG3 PRO B 111 -8.851 -16.390 10.146 1.00 0.00 H new ATOM 0 HD2 PRO B 111 -8.759 -13.991 11.432 1.00 0.00 H new ATOM 0 HD3 PRO B 111 -7.307 -14.925 11.132 1.00 0.00 H new ATOM 822 N VAL B 112 -9.640 -12.093 8.423 1.00 0.00 N ATOM 823 CA VAL B 112 -10.700 -11.232 7.910 1.00 0.00 C ATOM 824 C VAL B 112 -10.251 -10.499 6.651 1.00 0.00 C ATOM 825 O VAL B 112 -11.066 -10.160 5.793 1.00 0.00 O ATOM 826 CB VAL B 112 -11.142 -10.199 8.963 1.00 0.00 C ATOM 827 CG1 VAL B 112 -10.160 -9.038 9.019 1.00 0.00 C ATOM 828 CG2 VAL B 112 -12.549 -9.703 8.663 1.00 0.00 C ATOM 0 H VAL B 112 -9.447 -11.977 9.418 1.00 0.00 H new ATOM 0 HA VAL B 112 -11.544 -11.878 7.669 1.00 0.00 H new ATOM 0 HB VAL B 112 -11.151 -10.683 9.940 1.00 0.00 H new ATOM 0 HG11 VAL B 112 -10.489 -8.319 9.769 1.00 0.00 H new ATOM 0 HG12 VAL B 112 -9.171 -9.411 9.284 1.00 0.00 H new ATOM 0 HG13 VAL B 112 -10.116 -8.552 8.045 1.00 0.00 H new ATOM 0 HG21 VAL B 112 -12.846 -8.974 9.417 1.00 0.00 H new ATOM 0 HG22 VAL B 112 -12.568 -9.236 7.678 1.00 0.00 H new ATOM 0 HG23 VAL B 112 -13.242 -10.544 8.679 1.00 0.00 H new ATOM 838 N TYR B 113 -8.948 -10.257 6.547 1.00 0.00 N ATOM 839 CA TYR B 113 -8.389 -9.563 5.394 1.00 0.00 C ATOM 840 C TYR B 113 -8.507 -10.417 4.135 1.00 0.00 C ATOM 841 O TYR B 113 -8.986 -9.954 3.099 1.00 0.00 O ATOM 842 CB TYR B 113 -6.923 -9.206 5.647 1.00 0.00 C ATOM 843 CG TYR B 113 -6.673 -8.606 7.011 1.00 0.00 C ATOM 844 CD1 TYR B 113 -7.537 -7.656 7.544 1.00 0.00 C ATOM 845 CD2 TYR B 113 -5.572 -8.987 7.769 1.00 0.00 C ATOM 846 CE1 TYR B 113 -7.312 -7.104 8.790 1.00 0.00 C ATOM 847 CE2 TYR B 113 -5.341 -8.442 9.017 1.00 0.00 C ATOM 848 CZ TYR B 113 -6.213 -7.501 9.522 1.00 0.00 C ATOM 849 OH TYR B 113 -5.984 -6.953 10.765 1.00 0.00 O ATOM 0 H TYR B 113 -8.260 -10.532 7.248 1.00 0.00 H new ATOM 0 HA TYR B 113 -8.958 -8.645 5.244 1.00 0.00 H new ATOM 0 HB2 TYR B 113 -6.315 -10.104 5.537 1.00 0.00 H new ATOM 0 HB3 TYR B 113 -6.592 -8.502 4.883 1.00 0.00 H new ATOM 0 HD1 TYR B 113 -8.399 -7.344 6.974 1.00 0.00 H new ATOM 0 HD2 TYR B 113 -4.885 -9.722 7.375 1.00 0.00 H new ATOM 0 HE1 TYR B 113 -7.993 -6.366 9.188 1.00 0.00 H new ATOM 0 HE2 TYR B 113 -4.482 -8.751 9.594 1.00 0.00 H new ATOM 0 HH TYR B 113 -5.170 -7.341 11.148 1.00 0.00 H new ATOM 859 N CYS B 114 -8.067 -11.666 4.232 1.00 0.00 N ATOM 860 CA CYS B 114 -8.121 -12.587 3.103 1.00 0.00 C ATOM 861 C CYS B 114 -9.566 -12.885 2.715 1.00 0.00 C ATOM 862 O CYS B 114 -9.874 -13.103 1.543 1.00 0.00 O ATOM 863 CB CYS B 114 -7.395 -13.890 3.445 1.00 0.00 C ATOM 864 SG CYS B 114 -6.513 -14.640 2.039 1.00 0.00 S ATOM 0 H CYS B 114 -7.668 -12.065 5.082 1.00 0.00 H new ATOM 0 HA CYS B 114 -7.624 -12.114 2.256 1.00 0.00 H new ATOM 0 HB2 CYS B 114 -6.682 -13.697 4.246 1.00 0.00 H new ATOM 0 HB3 CYS B 114 -8.120 -14.607 3.830 1.00 0.00 H new ATOM 869 N SER B 115 -10.451 -12.894 3.708 1.00 0.00 N ATOM 870 CA SER B 115 -11.863 -13.168 3.471 1.00 0.00 C ATOM 871 C SER B 115 -12.522 -12.016 2.719 1.00 0.00 C ATOM 872 O SER B 115 -13.150 -12.217 1.679 1.00 0.00 O ATOM 873 CB SER B 115 -12.587 -13.407 4.798 1.00 0.00 C ATOM 874 OG SER B 115 -12.301 -14.697 5.311 1.00 0.00 O ATOM 0 H SER B 115 -10.214 -12.715 4.684 1.00 0.00 H new ATOM 0 HA SER B 115 -11.936 -14.067 2.858 1.00 0.00 H new ATOM 0 HB2 SER B 115 -12.286 -12.650 5.522 1.00 0.00 H new ATOM 0 HB3 SER B 115 -13.662 -13.300 4.654 1.00 0.00 H new ATOM 0 HG SER B 115 -12.774 -14.824 6.160 1.00 0.00 H new ATOM 880 N ILE B 116 -12.376 -10.808 3.254 1.00 0.00 N ATOM 881 CA ILE B 116 -12.955 -9.624 2.634 1.00 0.00 C ATOM 882 C ILE B 116 -12.389 -9.403 1.236 1.00 0.00 C ATOM 883 O ILE B 116 -13.080 -8.905 0.345 1.00 0.00 O ATOM 884 CB ILE B 116 -12.704 -8.364 3.483 1.00 0.00 C ATOM 885 CG1 ILE B 116 -13.329 -8.524 4.870 1.00 0.00 C ATOM 886 CG2 ILE B 116 -13.262 -7.133 2.783 1.00 0.00 C ATOM 887 CD1 ILE B 116 -12.720 -7.616 5.916 1.00 0.00 C ATOM 0 H ILE B 116 -11.862 -10.624 4.115 1.00 0.00 H new ATOM 0 HA ILE B 116 -14.029 -9.797 2.565 1.00 0.00 H new ATOM 0 HB ILE B 116 -11.629 -8.233 3.603 1.00 0.00 H new ATOM 0 HG12 ILE B 116 -14.398 -8.322 4.803 1.00 0.00 H new ATOM 0 HG13 ILE B 116 -13.220 -9.560 5.192 1.00 0.00 H new ATOM 0 HG21 ILE B 116 -13.077 -6.251 3.396 1.00 0.00 H new ATOM 0 HG22 ILE B 116 -12.774 -7.012 1.816 1.00 0.00 H new ATOM 0 HG23 ILE B 116 -14.335 -7.253 2.636 1.00 0.00 H new ATOM 0 HD11 ILE B 116 -13.212 -7.784 6.874 1.00 0.00 H new ATOM 0 HD12 ILE B 116 -11.656 -7.833 6.011 1.00 0.00 H new ATOM 0 HD13 ILE B 116 -12.853 -6.576 5.617 1.00 0.00 H new ATOM 899 N LEU B 117 -11.129 -9.776 1.048 1.00 0.00 N ATOM 900 CA LEU B 117 -10.468 -9.620 -0.244 1.00 0.00 C ATOM 901 C LEU B 117 -11.127 -10.498 -1.302 1.00 0.00 C ATOM 902 O LEU B 117 -11.699 -9.998 -2.270 1.00 0.00 O ATOM 903 CB LEU B 117 -8.984 -9.971 -0.126 1.00 0.00 C ATOM 904 CG LEU B 117 -8.059 -9.335 -1.164 1.00 0.00 C ATOM 905 CD1 LEU B 117 -6.773 -10.136 -1.296 1.00 0.00 C ATOM 906 CD2 LEU B 117 -8.762 -9.227 -2.509 1.00 0.00 C ATOM 0 H LEU B 117 -10.543 -10.189 1.774 1.00 0.00 H new ATOM 0 HA LEU B 117 -10.565 -8.578 -0.550 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -8.640 -9.678 0.866 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -8.881 -11.054 -0.192 1.00 0.00 H new ATOM 0 HG LEU B 117 -7.804 -8.330 -0.828 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -6.127 -9.668 -2.039 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -6.260 -10.162 -0.335 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -7.008 -11.153 -1.609 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -8.089 -8.772 -3.236 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -9.047 -10.222 -2.851 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -9.654 -8.610 -2.405 1.00 0.00 H new ATOM 918 N ALA B 118 -11.045 -11.811 -1.109 1.00 0.00 N ATOM 919 CA ALA B 118 -11.638 -12.759 -2.044 1.00 0.00 C ATOM 920 C ALA B 118 -13.075 -12.375 -2.378 1.00 0.00 C ATOM 921 O ALA B 118 -13.474 -12.382 -3.542 1.00 0.00 O ATOM 922 CB ALA B 118 -11.585 -14.168 -1.472 1.00 0.00 C ATOM 0 H ALA B 118 -10.574 -12.242 -0.314 1.00 0.00 H new ATOM 0 HA ALA B 118 -11.059 -12.732 -2.967 1.00 0.00 H new ATOM 0 HB1 ALA B 118 -12.031 -14.865 -2.181 1.00 0.00 H new ATOM 0 HB2 ALA B 118 -10.547 -14.449 -1.291 1.00 0.00 H new ATOM 0 HB3 ALA B 118 -12.138 -14.201 -0.533 1.00 0.00 H new ATOM 928 N ALA B 119 -13.848 -12.042 -1.350 1.00 0.00 N ATOM 929 CA ALA B 119 -15.241 -11.654 -1.536 1.00 0.00 C ATOM 930 C ALA B 119 -15.367 -10.539 -2.568 1.00 0.00 C ATOM 931 O ALA B 119 -16.113 -10.661 -3.540 1.00 0.00 O ATOM 932 CB ALA B 119 -15.849 -11.219 -0.210 1.00 0.00 C ATOM 0 H ALA B 119 -13.533 -12.033 -0.380 1.00 0.00 H new ATOM 0 HA ALA B 119 -15.787 -12.521 -1.907 1.00 0.00 H new ATOM 0 HB1 ALA B 119 -16.889 -10.932 -0.363 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -15.801 -12.044 0.500 1.00 0.00 H new ATOM 0 HB3 ALA B 119 -15.292 -10.369 0.184 1.00 0.00 H new ATOM 938 N VAL B 120 -14.634 -9.452 -2.351 1.00 0.00 N ATOM 939 CA VAL B 120 -14.664 -8.315 -3.263 1.00 0.00 C ATOM 940 C VAL B 120 -14.342 -8.746 -4.690 1.00 0.00 C ATOM 941 O VAL B 120 -15.091 -8.453 -5.622 1.00 0.00 O ATOM 942 CB VAL B 120 -13.668 -7.222 -2.831 1.00 0.00 C ATOM 943 CG1 VAL B 120 -13.725 -6.039 -3.787 1.00 0.00 C ATOM 944 CG2 VAL B 120 -13.950 -6.778 -1.404 1.00 0.00 C ATOM 0 H VAL B 120 -14.012 -9.335 -1.551 1.00 0.00 H new ATOM 0 HA VAL B 120 -15.675 -7.909 -3.229 1.00 0.00 H new ATOM 0 HB VAL B 120 -12.661 -7.638 -2.865 1.00 0.00 H new ATOM 0 HG11 VAL B 120 -13.015 -5.277 -3.466 1.00 0.00 H new ATOM 0 HG12 VAL B 120 -13.470 -6.372 -4.793 1.00 0.00 H new ATOM 0 HG13 VAL B 120 -14.731 -5.620 -3.788 1.00 0.00 H new ATOM 0 HG21 VAL B 120 -13.237 -6.006 -1.116 1.00 0.00 H new ATOM 0 HG22 VAL B 120 -14.962 -6.379 -1.340 1.00 0.00 H new ATOM 0 HG23 VAL B 120 -13.853 -7.631 -0.732 1.00 0.00 H new ATOM 954 N VAL B 121 -13.223 -9.443 -4.853 1.00 0.00 N ATOM 955 CA VAL B 121 -12.801 -9.918 -6.165 1.00 0.00 C ATOM 956 C VAL B 121 -13.868 -10.806 -6.797 1.00 0.00 C ATOM 957 O VAL B 121 -14.177 -10.677 -7.982 1.00 0.00 O ATOM 958 CB VAL B 121 -11.480 -10.703 -6.081 1.00 0.00 C ATOM 959 CG1 VAL B 121 -11.045 -11.167 -7.463 1.00 0.00 C ATOM 960 CG2 VAL B 121 -10.397 -9.855 -5.429 1.00 0.00 C ATOM 0 H VAL B 121 -12.591 -9.692 -4.092 1.00 0.00 H new ATOM 0 HA VAL B 121 -12.651 -9.036 -6.787 1.00 0.00 H new ATOM 0 HB VAL B 121 -11.641 -11.586 -5.462 1.00 0.00 H new ATOM 0 HG11 VAL B 121 -10.109 -11.720 -7.383 1.00 0.00 H new ATOM 0 HG12 VAL B 121 -11.813 -11.813 -7.888 1.00 0.00 H new ATOM 0 HG13 VAL B 121 -10.901 -10.301 -8.109 1.00 0.00 H new ATOM 0 HG21 VAL B 121 -9.470 -10.426 -5.378 1.00 0.00 H new ATOM 0 HG22 VAL B 121 -10.236 -8.953 -6.020 1.00 0.00 H new ATOM 0 HG23 VAL B 121 -10.709 -9.578 -4.422 1.00 0.00 H new ATOM 970 N VAL B 122 -14.429 -11.707 -5.997 1.00 0.00 N ATOM 971 CA VAL B 122 -15.461 -12.618 -6.478 1.00 0.00 C ATOM 972 C VAL B 122 -16.637 -11.852 -7.072 1.00 0.00 C ATOM 973 O VAL B 122 -16.921 -11.956 -8.265 1.00 0.00 O ATOM 974 CB VAL B 122 -15.975 -13.530 -5.348 1.00 0.00 C ATOM 975 CG1 VAL B 122 -17.206 -14.299 -5.800 1.00 0.00 C ATOM 976 CG2 VAL B 122 -14.880 -14.481 -4.890 1.00 0.00 C ATOM 0 H VAL B 122 -14.186 -11.826 -5.013 1.00 0.00 H new ATOM 0 HA VAL B 122 -15.004 -13.234 -7.253 1.00 0.00 H new ATOM 0 HB VAL B 122 -16.258 -12.905 -4.501 1.00 0.00 H new ATOM 0 HG11 VAL B 122 -17.554 -14.938 -4.988 1.00 0.00 H new ATOM 0 HG12 VAL B 122 -17.994 -13.597 -6.073 1.00 0.00 H new ATOM 0 HG13 VAL B 122 -16.954 -14.915 -6.663 1.00 0.00 H new ATOM 0 HG21 VAL B 122 -15.261 -15.117 -4.091 1.00 0.00 H new ATOM 0 HG22 VAL B 122 -14.563 -15.101 -5.728 1.00 0.00 H new ATOM 0 HG23 VAL B 122 -14.030 -13.907 -4.522 1.00 0.00 H new ATOM 986 N GLY B 123 -17.319 -11.080 -6.232 1.00 0.00 N ATOM 987 CA GLY B 123 -18.457 -10.306 -6.693 1.00 0.00 C ATOM 988 C GLY B 123 -18.087 -9.327 -7.790 1.00 0.00 C ATOM 989 O GLY B 123 -18.791 -9.214 -8.794 1.00 0.00 O ATOM 0 H GLY B 123 -17.104 -10.977 -5.240 1.00 0.00 H new ATOM 0 HA2 GLY B 123 -19.228 -10.983 -7.060 1.00 0.00 H new ATOM 0 HA3 GLY B 123 -18.886 -9.760 -5.853 1.00 0.00 H new ATOM 993 N LEU B 124 -16.981 -8.616 -7.598 1.00 0.00 N ATOM 994 CA LEU B 124 -16.519 -7.640 -8.579 1.00 0.00 C ATOM 995 C LEU B 124 -16.285 -8.300 -9.934 1.00 0.00 C ATOM 996 O LEU B 124 -16.931 -7.955 -10.923 1.00 0.00 O ATOM 997 CB LEU B 124 -15.232 -6.971 -8.094 1.00 0.00 C ATOM 998 CG LEU B 124 -14.583 -5.984 -9.064 1.00 0.00 C ATOM 999 CD1 LEU B 124 -13.664 -6.714 -10.033 1.00 0.00 C ATOM 1000 CD2 LEU B 124 -15.646 -5.203 -9.822 1.00 0.00 C ATOM 0 H LEU B 124 -16.388 -8.697 -6.772 1.00 0.00 H new ATOM 0 HA LEU B 124 -17.293 -6.882 -8.694 1.00 0.00 H new ATOM 0 HB2 LEU B 124 -15.447 -6.447 -7.163 1.00 0.00 H new ATOM 0 HB3 LEU B 124 -14.507 -7.750 -7.860 1.00 0.00 H new ATOM 0 HG LEU B 124 -13.984 -5.279 -8.487 1.00 0.00 H new ATOM 0 HD11 LEU B 124 -13.211 -5.995 -10.716 1.00 0.00 H new ATOM 0 HD12 LEU B 124 -12.881 -7.228 -9.475 1.00 0.00 H new ATOM 0 HD13 LEU B 124 -14.241 -7.442 -10.603 1.00 0.00 H new ATOM 0 HD21 LEU B 124 -15.165 -4.505 -10.508 1.00 0.00 H new ATOM 0 HD22 LEU B 124 -16.272 -5.894 -10.387 1.00 0.00 H new ATOM 0 HD23 LEU B 124 -16.264 -4.649 -9.115 1.00 0.00 H new