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 2.829 -14.742 1.377 1.00 0.00 N ATOM 156 CA PRO A 11 1.474 -14.274 1.069 1.00 0.00 C ATOM 157 C PRO A 11 0.853 -15.026 -0.103 1.00 0.00 C ATOM 158 O PRO A 11 -0.312 -14.818 -0.440 1.00 0.00 O ATOM 159 CB PRO A 11 1.683 -12.801 0.708 1.00 0.00 C ATOM 160 CG PRO A 11 3.093 -12.722 0.235 1.00 0.00 C ATOM 161 CD PRO A 11 3.855 -13.743 1.034 1.00 0.00 C ATOM 0 HA PRO A 11 0.789 -14.431 1.902 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.987 -12.481 -0.068 1.00 0.00 H new ATOM 0 HB3 PRO A 11 1.518 -12.155 1.570 1.00 0.00 H new ATOM 0 HG2 PRO A 11 3.159 -12.933 -0.832 1.00 0.00 H new ATOM 0 HG3 PRO A 11 3.501 -11.723 0.388 1.00 0.00 H new ATOM 0 HD2 PRO A 11 4.666 -14.183 0.454 1.00 0.00 H new ATOM 0 HD3 PRO A 11 4.302 -13.304 1.926 1.00 0.00 H new ATOM 169 N VAL A 12 1.639 -15.903 -0.721 1.00 0.00 N ATOM 170 CA VAL A 12 1.165 -16.689 -1.854 1.00 0.00 C ATOM 171 C VAL A 12 -0.173 -17.349 -1.544 1.00 0.00 C ATOM 172 O VAL A 12 -0.982 -17.590 -2.441 1.00 0.00 O ATOM 173 CB VAL A 12 2.183 -17.776 -2.248 1.00 0.00 C ATOM 174 CG1 VAL A 12 2.073 -18.972 -1.315 1.00 0.00 C ATOM 175 CG2 VAL A 12 1.978 -18.197 -3.696 1.00 0.00 C ATOM 0 H VAL A 12 2.607 -16.087 -0.456 1.00 0.00 H new ATOM 0 HA VAL A 12 1.041 -15.999 -2.688 1.00 0.00 H new ATOM 0 HB VAL A 12 3.187 -17.362 -2.153 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.799 -19.730 -1.608 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.273 -18.655 -0.292 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.068 -19.390 -1.376 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.705 -18.965 -3.958 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.970 -18.594 -3.820 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.111 -17.334 -4.348 1.00 0.00 H new ATOM 185 N TYR A 13 -0.403 -17.638 -0.267 1.00 0.00 N ATOM 186 CA TYR A 13 -1.642 -18.274 0.161 1.00 0.00 C ATOM 187 C TYR A 13 -2.848 -17.408 -0.188 1.00 0.00 C ATOM 188 O TYR A 13 -3.843 -17.895 -0.725 1.00 0.00 O ATOM 189 CB TYR A 13 -1.610 -18.540 1.667 1.00 0.00 C ATOM 190 CG TYR A 13 -1.045 -19.895 2.031 1.00 0.00 C ATOM 191 CD1 TYR A 13 0.088 -20.391 1.398 1.00 0.00 C ATOM 192 CD2 TYR A 13 -1.645 -20.678 3.010 1.00 0.00 C ATOM 193 CE1 TYR A 13 0.605 -21.629 1.726 1.00 0.00 C ATOM 194 CE2 TYR A 13 -1.132 -21.916 3.346 1.00 0.00 C ATOM 195 CZ TYR A 13 -0.008 -22.387 2.702 1.00 0.00 C ATOM 196 OH TYR A 13 0.506 -23.620 3.033 1.00 0.00 O ATOM 0 H TYR A 13 0.253 -17.441 0.489 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.734 -19.223 -0.367 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.015 -17.766 2.152 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.622 -18.459 2.063 1.00 0.00 H new ATOM 0 HD1 TYR A 13 0.573 -19.798 0.636 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.526 -20.313 3.516 1.00 0.00 H new ATOM 0 HE1 TYR A 13 1.484 -22.001 1.221 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.609 -22.512 4.110 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.041 -24.024 3.738 1.00 0.00 H new ATOM 206 N CYS A 14 -2.752 -16.119 0.122 1.00 0.00 N ATOM 207 CA CYS A 14 -3.833 -15.182 -0.159 1.00 0.00 C ATOM 208 C CYS A 14 -4.038 -15.022 -1.663 1.00 0.00 C ATOM 209 O CYS A 14 -5.170 -14.958 -2.142 1.00 0.00 O ATOM 210 CB CYS A 14 -3.533 -13.821 0.473 1.00 0.00 C ATOM 211 SG CYS A 14 -4.611 -13.403 1.881 1.00 0.00 S ATOM 0 H CYS A 14 -1.936 -15.700 0.568 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.749 -15.583 0.274 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.495 -13.808 0.807 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -3.632 -13.048 -0.289 1.00 0.00 H new ATOM 216 N SER A 15 -2.934 -14.959 -2.401 1.00 0.00 N ATOM 217 CA SER A 15 -2.992 -14.801 -3.850 1.00 0.00 C ATOM 218 C SER A 15 -3.607 -16.034 -4.505 1.00 0.00 C ATOM 219 O SER A 15 -4.472 -15.921 -5.375 1.00 0.00 O ATOM 220 CB SER A 15 -1.591 -14.556 -4.413 1.00 0.00 C ATOM 221 OG SER A 15 -1.616 -13.564 -5.426 1.00 0.00 O ATOM 0 H SER A 15 -1.989 -15.015 -2.020 1.00 0.00 H new ATOM 0 HA SER A 15 -3.621 -13.940 -4.073 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.922 -14.244 -3.611 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.191 -15.485 -4.819 1.00 0.00 H new ATOM 0 HG SER A 15 -0.709 -13.424 -5.769 1.00 0.00 H new ATOM 227 N ILE A 16 -3.155 -17.210 -4.083 1.00 0.00 N ATOM 228 CA ILE A 16 -3.663 -18.464 -4.626 1.00 0.00 C ATOM 229 C ILE A 16 -5.146 -18.635 -4.320 1.00 0.00 C ATOM 230 O ILE A 16 -5.936 -18.988 -5.196 1.00 0.00 O ATOM 231 CB ILE A 16 -2.890 -19.673 -4.065 1.00 0.00 C ATOM 232 CG1 ILE A 16 -1.421 -19.607 -4.485 1.00 0.00 C ATOM 233 CG2 ILE A 16 -3.525 -20.972 -4.541 1.00 0.00 C ATOM 234 CD1 ILE A 16 -0.490 -20.340 -3.544 1.00 0.00 C ATOM 0 H ILE A 16 -2.438 -17.321 -3.366 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.521 -18.422 -5.706 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.938 -19.644 -2.976 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.318 -20.027 -5.485 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.115 -18.562 -4.545 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.969 -21.818 -4.137 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.558 -21.019 -4.197 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.503 -21.010 -5.630 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.535 -20.251 -3.904 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.564 -19.905 -2.547 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.770 -21.393 -3.502 1.00 0.00 H new ATOM 246 N LEU A 17 -5.520 -18.379 -3.070 1.00 0.00 N ATOM 247 CA LEU A 17 -6.911 -18.502 -2.647 1.00 0.00 C ATOM 248 C LEU A 17 -7.829 -17.683 -3.548 1.00 0.00 C ATOM 249 O LEU A 17 -8.725 -18.224 -4.194 1.00 0.00 O ATOM 250 CB LEU A 17 -7.064 -18.048 -1.195 1.00 0.00 C ATOM 251 CG LEU A 17 -8.456 -17.564 -0.787 1.00 0.00 C ATOM 252 CD1 LEU A 17 -9.438 -18.724 -0.760 1.00 0.00 C ATOM 253 CD2 LEU A 17 -8.406 -16.875 0.568 1.00 0.00 C ATOM 0 H LEU A 17 -4.879 -18.085 -2.333 1.00 0.00 H new ATOM 0 HA LEU A 17 -7.198 -19.551 -2.726 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.784 -18.877 -0.545 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.353 -17.243 -1.010 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.799 -16.841 -1.527 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -10.423 -18.360 -0.468 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.497 -19.174 -1.751 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -9.099 -19.471 -0.042 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -9.406 -16.537 0.842 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.041 -17.576 1.319 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.735 -16.018 0.516 1.00 0.00 H new ATOM 265 N ALA A 18 -7.595 -16.375 -3.588 1.00 0.00 N ATOM 266 CA ALA A 18 -8.398 -15.481 -4.414 1.00 0.00 C ATOM 267 C ALA A 18 -8.488 -15.992 -5.849 1.00 0.00 C ATOM 268 O ALA A 18 -9.576 -16.091 -6.415 1.00 0.00 O ATOM 269 CB ALA A 18 -7.818 -14.075 -4.389 1.00 0.00 C ATOM 0 H ALA A 18 -6.857 -15.911 -3.059 1.00 0.00 H new ATOM 0 HA ALA A 18 -9.406 -15.454 -4.001 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -8.428 -13.419 -5.010 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.811 -13.702 -3.365 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.799 -14.095 -4.774 1.00 0.00 H new ATOM 275 N ALA A 19 -7.338 -16.316 -6.430 1.00 0.00 N ATOM 276 CA ALA A 19 -7.288 -16.816 -7.798 1.00 0.00 C ATOM 277 C ALA A 19 -8.228 -18.003 -7.982 1.00 0.00 C ATOM 278 O ALA A 19 -9.035 -18.029 -8.911 1.00 0.00 O ATOM 279 CB ALA A 19 -5.864 -17.206 -8.165 1.00 0.00 C ATOM 0 H ALA A 19 -6.428 -16.241 -5.975 1.00 0.00 H new ATOM 0 HA ALA A 19 -7.617 -16.018 -8.464 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.841 -17.578 -9.189 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.215 -16.334 -8.081 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.514 -17.986 -7.488 1.00 0.00 H new ATOM 285 N VAL A 20 -8.117 -18.984 -7.093 1.00 0.00 N ATOM 286 CA VAL A 20 -8.958 -20.173 -7.157 1.00 0.00 C ATOM 287 C VAL A 20 -10.435 -19.806 -7.093 1.00 0.00 C ATOM 288 O VAL A 20 -11.229 -20.231 -7.932 1.00 0.00 O ATOM 289 CB VAL A 20 -8.633 -21.153 -6.014 1.00 0.00 C ATOM 290 CG1 VAL A 20 -9.469 -22.417 -6.140 1.00 0.00 C ATOM 291 CG2 VAL A 20 -7.149 -21.485 -6.003 1.00 0.00 C ATOM 0 H VAL A 20 -7.452 -18.979 -6.319 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.749 -20.657 -8.111 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.882 -20.674 -5.067 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.225 -23.097 -5.324 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.527 -22.159 -6.094 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.254 -22.902 -7.092 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.937 -22.178 -5.189 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.872 -21.944 -6.952 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.573 -20.571 -5.860 1.00 0.00 H new ATOM 301 N VAL A 21 -10.799 -19.013 -6.090 1.00 0.00 N ATOM 302 CA VAL A 21 -12.183 -18.588 -5.916 1.00 0.00 C ATOM 303 C VAL A 21 -12.694 -17.857 -7.152 1.00 0.00 C ATOM 304 O VAL A 21 -13.776 -18.152 -7.658 1.00 0.00 O ATOM 305 CB VAL A 21 -12.337 -17.667 -4.690 1.00 0.00 C ATOM 306 CG1 VAL A 21 -13.794 -17.287 -4.487 1.00 0.00 C ATOM 307 CG2 VAL A 21 -11.774 -18.339 -3.446 1.00 0.00 C ATOM 0 H VAL A 21 -10.155 -18.652 -5.386 1.00 0.00 H new ATOM 0 HA VAL A 21 -12.774 -19.491 -5.761 1.00 0.00 H new ATOM 0 HB VAL A 21 -11.771 -16.753 -4.870 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -13.883 -16.637 -3.617 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -14.160 -16.763 -5.370 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -14.386 -18.188 -4.328 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -11.891 -17.675 -2.589 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -12.311 -19.269 -3.260 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.716 -18.555 -3.596 1.00 0.00 H new ATOM 317 N VAL A 22 -11.906 -16.902 -7.637 1.00 0.00 N ATOM 318 CA VAL A 22 -12.276 -16.130 -8.816 1.00 0.00 C ATOM 319 C VAL A 22 -12.612 -17.045 -9.989 1.00 0.00 C ATOM 320 O VAL A 22 -13.743 -17.065 -10.471 1.00 0.00 O ATOM 321 CB VAL A 22 -11.148 -15.169 -9.236 1.00 0.00 C ATOM 322 CG1 VAL A 22 -11.502 -14.465 -10.537 1.00 0.00 C ATOM 323 CG2 VAL A 22 -10.872 -14.159 -8.133 1.00 0.00 C ATOM 0 H VAL A 22 -11.007 -16.645 -7.230 1.00 0.00 H new ATOM 0 HA VAL A 22 -13.158 -15.548 -8.548 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.241 -15.751 -9.401 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.693 -13.790 -10.817 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -11.646 -15.205 -11.324 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -12.421 -13.894 -10.403 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -10.072 -13.488 -8.446 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.775 -13.581 -7.935 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -10.571 -14.684 -7.226 1.00 0.00 H new ATOM 333 N GLY A 23 -11.618 -17.803 -10.444 1.00 0.00 N ATOM 334 CA GLY A 23 -11.829 -18.712 -11.556 1.00 0.00 C ATOM 335 C GLY A 23 -12.921 -19.725 -11.279 1.00 0.00 C ATOM 336 O GLY A 23 -13.846 -19.887 -12.076 1.00 0.00 O ATOM 0 H GLY A 23 -10.672 -17.804 -10.063 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -12.088 -18.138 -12.446 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.899 -19.236 -11.774 1.00 0.00 H new ATOM 340 N LEU A 24 -12.816 -20.411 -10.145 1.00 0.00 N ATOM 341 CA LEU A 24 -13.803 -21.415 -9.764 1.00 0.00 C ATOM 342 C LEU A 24 -15.215 -20.843 -9.827 1.00 0.00 C ATOM 343 O LEU A 24 -16.059 -21.328 -10.580 1.00 0.00 O ATOM 344 CB LEU A 24 -13.513 -21.934 -8.355 1.00 0.00 C ATOM 345 CG LEU A 24 -14.557 -22.878 -7.759 1.00 0.00 C ATOM 346 CD1 LEU A 24 -15.647 -22.088 -7.049 1.00 0.00 C ATOM 347 CD2 LEU A 24 -15.157 -23.762 -8.842 1.00 0.00 C ATOM 0 H LEU A 24 -12.057 -20.290 -9.474 1.00 0.00 H new ATOM 0 HA LEU A 24 -13.735 -22.242 -10.471 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -12.553 -22.450 -8.370 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -13.405 -21.078 -7.689 1.00 0.00 H new ATOM 0 HG LEU A 24 -14.064 -23.518 -7.027 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -16.382 -22.776 -6.631 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -15.205 -21.498 -6.246 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -16.137 -21.423 -7.761 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -15.898 -24.427 -8.399 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -15.635 -23.138 -9.598 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -14.369 -24.355 -9.306 1.00 0.00 H new ATOM 359 N VAL A 25 -15.464 -19.806 -9.032 1.00 0.00 N ATOM 360 CA VAL A 25 -16.773 -19.165 -9.001 1.00 0.00 C ATOM 361 C VAL A 25 -17.165 -18.651 -10.381 1.00 0.00 C ATOM 362 O VAL A 25 -18.329 -18.726 -10.775 1.00 0.00 O ATOM 363 CB VAL A 25 -16.799 -17.992 -8.003 1.00 0.00 C ATOM 364 CG1 VAL A 25 -18.157 -17.308 -8.018 1.00 0.00 C ATOM 365 CG2 VAL A 25 -16.452 -18.477 -6.603 1.00 0.00 C ATOM 0 H VAL A 25 -14.777 -19.393 -8.402 1.00 0.00 H new ATOM 0 HA VAL A 25 -17.489 -19.922 -8.681 1.00 0.00 H new ATOM 0 HB VAL A 25 -16.049 -17.262 -8.307 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -18.156 -16.482 -7.307 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -18.361 -16.925 -9.018 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -18.929 -18.026 -7.740 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -16.475 -17.636 -5.910 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -17.178 -19.227 -6.287 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -15.455 -18.917 -6.607 1.00 0.00 H new ATOM 375 N ALA A 26 -16.187 -18.128 -11.114 1.00 0.00 N ATOM 376 CA ALA A 26 -16.430 -17.602 -12.451 1.00 0.00 C ATOM 377 C ALA A 26 -16.827 -18.716 -13.415 1.00 0.00 C ATOM 378 O ALA A 26 -17.526 -18.478 -14.399 1.00 0.00 O ATOM 379 CB ALA A 26 -15.197 -16.873 -12.964 1.00 0.00 C ATOM 0 H ALA A 26 -15.218 -18.058 -10.803 1.00 0.00 H new ATOM 0 HA ALA A 26 -17.258 -16.895 -12.392 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -15.393 -16.485 -13.964 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -14.958 -16.046 -12.295 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -14.355 -17.564 -13.002 1.00 0.00 H new ATOM 385 N TYR A 27 -16.376 -19.931 -13.125 1.00 0.00 N ATOM 386 CA TYR A 27 -16.683 -21.082 -13.967 1.00 0.00 C ATOM 387 C TYR A 27 -18.109 -21.568 -13.726 1.00 0.00 C ATOM 388 O TYR A 27 -18.861 -21.809 -14.670 1.00 0.00 O ATOM 389 CB TYR A 27 -15.692 -22.216 -13.698 1.00 0.00 C ATOM 390 CG TYR A 27 -15.833 -23.380 -14.652 1.00 0.00 C ATOM 391 CD1 TYR A 27 -15.872 -23.178 -16.026 1.00 0.00 C ATOM 392 CD2 TYR A 27 -15.924 -24.684 -14.178 1.00 0.00 C ATOM 393 CE1 TYR A 27 -16.000 -24.239 -16.900 1.00 0.00 C ATOM 394 CE2 TYR A 27 -16.051 -25.751 -15.046 1.00 0.00 C ATOM 395 CZ TYR A 27 -16.090 -25.524 -16.406 1.00 0.00 C ATOM 396 OH TYR A 27 -16.216 -26.584 -17.275 1.00 0.00 O ATOM 0 H TYR A 27 -15.796 -20.145 -12.313 1.00 0.00 H new ATOM 0 HA TYR A 27 -16.596 -20.772 -15.008 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -14.677 -21.824 -13.764 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -15.830 -22.574 -12.678 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -15.801 -22.174 -16.417 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -15.895 -24.866 -13.114 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -16.030 -24.064 -17.965 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -16.119 -26.758 -14.662 1.00 0.00 H new ATOM 0 HH TYR A 27 -16.266 -27.420 -16.766 1.00 0.00 H new ATOM 406 N ILE A 28 -18.472 -21.707 -12.456 1.00 0.00 N ATOM 407 CA ILE A 28 -19.807 -22.163 -12.089 1.00 0.00 C ATOM 408 C ILE A 28 -20.845 -21.071 -12.325 1.00 0.00 C ATOM 409 O ILE A 28 -21.996 -21.355 -12.653 1.00 0.00 O ATOM 410 CB ILE A 28 -19.866 -22.604 -10.614 1.00 0.00 C ATOM 411 CG1 ILE A 28 -19.320 -24.024 -10.461 1.00 0.00 C ATOM 412 CG2 ILE A 28 -21.294 -22.521 -10.094 1.00 0.00 C ATOM 413 CD1 ILE A 28 -17.854 -24.149 -10.816 1.00 0.00 C ATOM 0 H ILE A 28 -17.861 -21.510 -11.664 1.00 0.00 H new ATOM 0 HA ILE A 28 -20.034 -23.019 -12.724 1.00 0.00 H new ATOM 0 HB ILE A 28 -19.244 -21.931 -10.024 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -19.466 -24.352 -9.432 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -19.898 -24.697 -11.095 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -21.320 -22.836 -9.051 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -21.651 -21.494 -10.172 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -21.935 -23.174 -10.686 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -17.535 -25.183 -10.684 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -17.704 -23.852 -11.854 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -17.266 -23.502 -10.166 1.00 0.00 H new ATOM 425 N ALA A 29 -20.428 -19.821 -12.156 1.00 0.00 N ATOM 426 CA ALA A 29 -21.320 -18.685 -12.354 1.00 0.00 C ATOM 427 C ALA A 29 -21.603 -18.460 -13.834 1.00 0.00 C ATOM 428 O ALA A 29 -22.749 -18.534 -14.276 1.00 0.00 O ATOM 429 CB ALA A 29 -20.724 -17.432 -11.731 1.00 0.00 C ATOM 0 H ALA A 29 -19.478 -19.569 -11.882 1.00 0.00 H new ATOM 0 HA ALA A 29 -22.266 -18.907 -11.861 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -21.400 -16.591 -11.886 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -20.581 -17.590 -10.662 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -19.763 -17.215 -12.198 1.00 0.00 H new ATOM 435 N PHE A 30 -20.550 -18.184 -14.598 1.00 0.00 N ATOM 436 CA PHE A 30 -20.686 -17.947 -16.031 1.00 0.00 C ATOM 437 C PHE A 30 -21.400 -19.111 -16.709 1.00 0.00 C ATOM 438 O PHE A 30 -22.093 -18.931 -17.711 1.00 0.00 O ATOM 439 CB PHE A 30 -19.310 -17.738 -16.666 1.00 0.00 C ATOM 440 CG PHE A 30 -19.350 -17.649 -18.165 1.00 0.00 C ATOM 441 CD1 PHE A 30 -20.296 -16.862 -18.801 1.00 0.00 C ATOM 442 CD2 PHE A 30 -18.441 -18.353 -18.938 1.00 0.00 C ATOM 443 CE1 PHE A 30 -20.335 -16.777 -20.180 1.00 0.00 C ATOM 444 CE2 PHE A 30 -18.475 -18.273 -20.318 1.00 0.00 C ATOM 445 CZ PHE A 30 -19.424 -17.485 -20.940 1.00 0.00 C ATOM 0 H PHE A 30 -19.594 -18.119 -14.249 1.00 0.00 H new ATOM 0 HA PHE A 30 -21.284 -17.047 -16.171 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -18.869 -16.824 -16.267 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -18.656 -18.560 -16.376 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -21.012 -16.308 -18.212 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -17.697 -18.971 -18.457 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -21.077 -16.158 -20.663 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -17.760 -18.826 -20.909 1.00 0.00 H new ATOM 0 HZ PHE A 30 -19.454 -17.423 -22.018 1.00 0.00 H new ATOM 455 N LYS A 31 -21.227 -20.307 -16.156 1.00 0.00 N ATOM 456 CA LYS A 31 -21.856 -21.502 -16.706 1.00 0.00 C ATOM 457 C LYS A 31 -23.313 -21.601 -16.269 1.00 0.00 C ATOM 458 O LYS A 31 -24.209 -21.768 -17.097 1.00 0.00 O ATOM 459 CB LYS A 31 -21.093 -22.754 -16.262 1.00 0.00 C ATOM 460 CG LYS A 31 -21.786 -24.052 -16.638 1.00 0.00 C ATOM 461 CD LYS A 31 -20.783 -25.155 -16.932 1.00 0.00 C ATOM 462 CE LYS A 31 -21.262 -26.060 -18.056 1.00 0.00 C ATOM 463 NZ LYS A 31 -20.127 -26.702 -18.775 1.00 0.00 N1+ ATOM 0 H LYS A 31 -20.656 -20.474 -15.327 1.00 0.00 H new ATOM 0 HA LYS A 31 -21.826 -21.431 -17.793 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -20.098 -22.740 -16.707 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -20.959 -22.723 -15.181 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -22.443 -24.363 -15.826 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -22.416 -23.889 -17.513 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -19.824 -24.713 -17.203 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -20.618 -25.747 -16.032 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -21.915 -26.831 -17.648 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -21.856 -25.479 -18.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -20.496 -27.311 -19.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -19.517 -25.967 -19.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -19.574 -27.277 -18.108 1.00 0.00 H new ATOM 477 N ARG A 32 -23.544 -21.495 -14.965 1.00 0.00 N ATOM 478 CA ARG A 32 -24.894 -21.572 -14.419 1.00 0.00 C ATOM 479 C ARG A 32 -25.826 -20.598 -15.134 1.00 0.00 C ATOM 480 O ARG A 32 -26.998 -20.898 -15.360 1.00 0.00 O ATOM 481 CB ARG A 32 -24.878 -21.271 -12.919 1.00 0.00 C ATOM 482 CG ARG A 32 -26.265 -21.182 -12.302 1.00 0.00 C ATOM 483 CD ARG A 32 -26.437 -22.185 -11.172 1.00 0.00 C ATOM 484 NE ARG A 32 -27.780 -22.759 -11.149 1.00 0.00 N ATOM 485 CZ ARG A 32 -28.082 -23.903 -10.545 1.00 0.00 C ATOM 486 NH1 ARG A 32 -27.140 -24.593 -9.917 1.00 0.00 N1+ ATOM 487 NH2 ARG A 32 -29.327 -24.358 -10.569 1.00 0.00 N ATOM 0 H ARG A 32 -22.814 -21.356 -14.266 1.00 0.00 H new ATOM 0 HA ARG A 32 -25.265 -22.585 -14.576 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -24.311 -22.048 -12.407 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -24.354 -20.330 -12.751 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -26.432 -20.174 -11.924 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -27.018 -21.363 -13.069 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -25.703 -22.984 -11.281 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -26.236 -21.696 -10.219 1.00 0.00 H new ATOM 0 HE ARG A 32 -28.528 -22.253 -11.623 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -26.181 -24.246 -9.897 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -27.374 -25.471 -9.454 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -30.054 -23.830 -11.052 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -29.558 -25.236 -10.105 1.00 0.00 H new ATOM 808 N PRO B 111 -7.329 -13.360 9.349 1.00 0.00 N ATOM 809 CA PRO B 111 -7.469 -13.687 7.926 1.00 0.00 C ATOM 810 C PRO B 111 -8.638 -12.955 7.276 1.00 0.00 C ATOM 811 O PRO B 111 -8.841 -13.040 6.064 1.00 0.00 O ATOM 812 CB PRO B 111 -7.720 -15.196 7.932 1.00 0.00 C ATOM 813 CG PRO B 111 -8.312 -15.476 9.270 1.00 0.00 C ATOM 814 CD PRO B 111 -7.678 -14.496 10.217 1.00 0.00 C ATOM 0 HA PRO B 111 -6.592 -13.389 7.351 1.00 0.00 H new ATOM 0 HB2 PRO B 111 -8.398 -15.488 7.130 1.00 0.00 H new ATOM 0 HB3 PRO B 111 -6.794 -15.752 7.784 1.00 0.00 H new ATOM 0 HG2 PRO B 111 -9.395 -15.355 9.251 1.00 0.00 H new ATOM 0 HG3 PRO B 111 -8.112 -16.502 9.578 1.00 0.00 H new ATOM 0 HD2 PRO B 111 -8.366 -14.200 11.009 1.00 0.00 H new ATOM 0 HD3 PRO B 111 -6.797 -14.917 10.701 1.00 0.00 H new ATOM 822 N VAL B 112 -9.404 -12.235 8.088 1.00 0.00 N ATOM 823 CA VAL B 112 -10.553 -11.486 7.591 1.00 0.00 C ATOM 824 C VAL B 112 -10.176 -10.640 6.381 1.00 0.00 C ATOM 825 O VAL B 112 -11.006 -10.372 5.513 1.00 0.00 O ATOM 826 CB VAL B 112 -11.140 -10.570 8.682 1.00 0.00 C ATOM 827 CG1 VAL B 112 -10.324 -9.292 8.802 1.00 0.00 C ATOM 828 CG2 VAL B 112 -12.599 -10.255 8.383 1.00 0.00 C ATOM 0 H VAL B 112 -9.250 -12.154 9.093 1.00 0.00 H new ATOM 0 HA VAL B 112 -11.306 -12.218 7.298 1.00 0.00 H new ATOM 0 HB VAL B 112 -11.093 -11.093 9.637 1.00 0.00 H new ATOM 0 HG11 VAL B 112 -10.753 -8.658 9.577 1.00 0.00 H new ATOM 0 HG12 VAL B 112 -9.296 -9.540 9.065 1.00 0.00 H new ATOM 0 HG13 VAL B 112 -10.337 -8.761 7.850 1.00 0.00 H new ATOM 0 HG21 VAL B 112 -12.999 -9.607 9.163 1.00 0.00 H new ATOM 0 HG22 VAL B 112 -12.672 -9.751 7.420 1.00 0.00 H new ATOM 0 HG23 VAL B 112 -13.172 -11.182 8.352 1.00 0.00 H new ATOM 838 N TYR B 113 -8.916 -10.221 6.330 1.00 0.00 N ATOM 839 CA TYR B 113 -8.427 -9.404 5.225 1.00 0.00 C ATOM 840 C TYR B 113 -8.633 -10.112 3.890 1.00 0.00 C ATOM 841 O TYR B 113 -9.163 -9.533 2.941 1.00 0.00 O ATOM 842 CB TYR B 113 -6.945 -9.079 5.420 1.00 0.00 C ATOM 843 CG TYR B 113 -6.701 -7.831 6.237 1.00 0.00 C ATOM 844 CD1 TYR B 113 -7.452 -7.563 7.375 1.00 0.00 C ATOM 845 CD2 TYR B 113 -5.718 -6.919 5.872 1.00 0.00 C ATOM 846 CE1 TYR B 113 -7.232 -6.424 8.124 1.00 0.00 C ATOM 847 CE2 TYR B 113 -5.490 -5.778 6.616 1.00 0.00 C ATOM 848 CZ TYR B 113 -6.250 -5.534 7.741 1.00 0.00 C ATOM 849 OH TYR B 113 -6.027 -4.397 8.485 1.00 0.00 O ATOM 0 H TYR B 113 -8.215 -10.433 7.040 1.00 0.00 H new ATOM 0 HA TYR B 113 -8.997 -8.475 5.214 1.00 0.00 H new ATOM 0 HB2 TYR B 113 -6.458 -9.923 5.908 1.00 0.00 H new ATOM 0 HB3 TYR B 113 -6.476 -8.961 4.443 1.00 0.00 H new ATOM 0 HD1 TYR B 113 -8.221 -8.258 7.679 1.00 0.00 H new ATOM 0 HD2 TYR B 113 -5.122 -7.106 4.991 1.00 0.00 H new ATOM 0 HE1 TYR B 113 -7.826 -6.231 9.005 1.00 0.00 H new ATOM 0 HE2 TYR B 113 -4.721 -5.081 6.319 1.00 0.00 H new ATOM 0 HH TYR B 113 -5.301 -3.878 8.080 1.00 0.00 H new ATOM 859 N CYS B 114 -8.210 -11.370 3.825 1.00 0.00 N ATOM 860 CA CYS B 114 -8.347 -12.161 2.607 1.00 0.00 C ATOM 861 C CYS B 114 -9.814 -12.475 2.325 1.00 0.00 C ATOM 862 O CYS B 114 -10.266 -12.403 1.182 1.00 0.00 O ATOM 863 CB CYS B 114 -7.549 -13.461 2.726 1.00 0.00 C ATOM 864 SG CYS B 114 -6.475 -13.806 1.296 1.00 0.00 S ATOM 0 H CYS B 114 -7.769 -11.864 4.601 1.00 0.00 H new ATOM 0 HA CYS B 114 -7.953 -11.576 1.776 1.00 0.00 H new ATOM 0 HB2 CYS B 114 -6.935 -13.417 3.626 1.00 0.00 H new ATOM 0 HB3 CYS B 114 -8.244 -14.291 2.854 1.00 0.00 H new ATOM 869 N SER B 115 -10.551 -12.822 3.375 1.00 0.00 N ATOM 870 CA SER B 115 -11.966 -13.151 3.240 1.00 0.00 C ATOM 871 C SER B 115 -12.754 -11.953 2.720 1.00 0.00 C ATOM 872 O SER B 115 -13.683 -12.104 1.926 1.00 0.00 O ATOM 873 CB SER B 115 -12.535 -13.606 4.585 1.00 0.00 C ATOM 874 OG SER B 115 -13.411 -14.708 4.421 1.00 0.00 O ATOM 0 H SER B 115 -10.193 -12.883 4.328 1.00 0.00 H new ATOM 0 HA SER B 115 -12.059 -13.965 2.521 1.00 0.00 H new ATOM 0 HB2 SER B 115 -11.720 -13.882 5.254 1.00 0.00 H new ATOM 0 HB3 SER B 115 -13.068 -12.780 5.056 1.00 0.00 H new ATOM 0 HG SER B 115 -13.760 -14.981 5.295 1.00 0.00 H new ATOM 880 N ILE B 116 -12.377 -10.762 3.174 1.00 0.00 N ATOM 881 CA ILE B 116 -13.047 -9.537 2.755 1.00 0.00 C ATOM 882 C ILE B 116 -12.643 -9.147 1.337 1.00 0.00 C ATOM 883 O ILE B 116 -13.493 -8.972 0.463 1.00 0.00 O ATOM 884 CB ILE B 116 -12.733 -8.369 3.707 1.00 0.00 C ATOM 885 CG1 ILE B 116 -13.287 -8.658 5.104 1.00 0.00 C ATOM 886 CG2 ILE B 116 -13.309 -7.071 3.161 1.00 0.00 C ATOM 887 CD1 ILE B 116 -12.572 -7.904 6.205 1.00 0.00 C ATOM 0 H ILE B 116 -11.611 -10.620 3.832 1.00 0.00 H new ATOM 0 HA ILE B 116 -14.118 -9.738 2.782 1.00 0.00 H new ATOM 0 HB ILE B 116 -11.651 -8.261 3.781 1.00 0.00 H new ATOM 0 HG12 ILE B 116 -14.346 -8.401 5.127 1.00 0.00 H new ATOM 0 HG13 ILE B 116 -13.215 -9.728 5.301 1.00 0.00 H new ATOM 0 HG21 ILE B 116 -13.079 -6.254 3.845 1.00 0.00 H new ATOM 0 HG22 ILE B 116 -12.871 -6.861 2.185 1.00 0.00 H new ATOM 0 HG23 ILE B 116 -14.390 -7.166 3.061 1.00 0.00 H new ATOM 0 HD11 ILE B 116 -13.017 -8.157 7.167 1.00 0.00 H new ATOM 0 HD12 ILE B 116 -11.517 -8.179 6.209 1.00 0.00 H new ATOM 0 HD13 ILE B 116 -12.666 -6.832 6.032 1.00 0.00 H new ATOM 899 N LEU B 117 -11.340 -9.013 1.116 1.00 0.00 N ATOM 900 CA LEU B 117 -10.821 -8.645 -0.197 1.00 0.00 C ATOM 901 C LEU B 117 -11.252 -9.654 -1.256 1.00 0.00 C ATOM 902 O LEU B 117 -11.585 -9.284 -2.381 1.00 0.00 O ATOM 903 CB LEU B 117 -9.295 -8.552 -0.155 1.00 0.00 C ATOM 904 CG LEU B 117 -8.544 -9.880 -0.062 1.00 0.00 C ATOM 905 CD1 LEU B 117 -8.387 -10.503 -1.441 1.00 0.00 C ATOM 906 CD2 LEU B 117 -7.184 -9.679 0.591 1.00 0.00 C ATOM 0 H LEU B 117 -10.624 -9.154 1.828 1.00 0.00 H new ATOM 0 HA LEU B 117 -11.231 -7.671 -0.463 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -8.958 -8.029 -1.050 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -9.012 -7.937 0.699 1.00 0.00 H new ATOM 0 HG LEU B 117 -9.126 -10.561 0.558 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -7.850 -11.448 -1.355 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -9.371 -10.683 -1.873 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -7.827 -9.825 -2.085 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -6.663 -10.635 0.649 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -6.595 -8.980 -0.003 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -7.318 -9.278 1.595 1.00 0.00 H new ATOM 918 N ALA B 118 -11.245 -10.930 -0.887 1.00 0.00 N ATOM 919 CA ALA B 118 -11.640 -11.993 -1.804 1.00 0.00 C ATOM 920 C ALA B 118 -13.113 -11.875 -2.180 1.00 0.00 C ATOM 921 O ALA B 118 -13.464 -11.897 -3.359 1.00 0.00 O ATOM 922 CB ALA B 118 -11.360 -13.355 -1.185 1.00 0.00 C ATOM 0 H ALA B 118 -10.970 -11.254 0.040 1.00 0.00 H new ATOM 0 HA ALA B 118 -11.050 -11.891 -2.715 1.00 0.00 H new ATOM 0 HB1 ALA B 118 -11.660 -14.139 -1.880 1.00 0.00 H new ATOM 0 HB2 ALA B 118 -10.295 -13.446 -0.973 1.00 0.00 H new ATOM 0 HB3 ALA B 118 -11.925 -13.457 -0.258 1.00 0.00 H new ATOM 928 N ALA B 119 -13.968 -11.749 -1.171 1.00 0.00 N ATOM 929 CA ALA B 119 -15.403 -11.625 -1.397 1.00 0.00 C ATOM 930 C ALA B 119 -15.709 -10.496 -2.375 1.00 0.00 C ATOM 931 O ALA B 119 -16.514 -10.656 -3.293 1.00 0.00 O ATOM 932 CB ALA B 119 -16.127 -11.396 -0.079 1.00 0.00 C ATOM 0 H ALA B 119 -13.692 -11.730 -0.189 1.00 0.00 H new ATOM 0 HA ALA B 119 -15.759 -12.557 -1.836 1.00 0.00 H new ATOM 0 HB1 ALA B 119 -17.198 -11.305 -0.263 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -15.944 -12.238 0.588 1.00 0.00 H new ATOM 0 HB3 ALA B 119 -15.759 -10.480 0.384 1.00 0.00 H new ATOM 938 N VAL B 120 -15.064 -9.351 -2.171 1.00 0.00 N ATOM 939 CA VAL B 120 -15.268 -8.194 -3.035 1.00 0.00 C ATOM 940 C VAL B 120 -14.825 -8.490 -4.463 1.00 0.00 C ATOM 941 O VAL B 120 -15.574 -8.270 -5.415 1.00 0.00 O ATOM 942 CB VAL B 120 -14.499 -6.965 -2.516 1.00 0.00 C ATOM 943 CG1 VAL B 120 -14.810 -5.743 -3.365 1.00 0.00 C ATOM 944 CG2 VAL B 120 -14.833 -6.706 -1.053 1.00 0.00 C ATOM 0 H VAL B 120 -14.396 -9.200 -1.415 1.00 0.00 H new ATOM 0 HA VAL B 120 -16.336 -7.976 -3.026 1.00 0.00 H new ATOM 0 HB VAL B 120 -13.431 -7.168 -2.591 1.00 0.00 H new ATOM 0 HG11 VAL B 120 -14.258 -4.884 -2.983 1.00 0.00 H new ATOM 0 HG12 VAL B 120 -14.517 -5.933 -4.397 1.00 0.00 H new ATOM 0 HG13 VAL B 120 -15.879 -5.534 -3.324 1.00 0.00 H new ATOM 0 HG21 VAL B 120 -14.281 -5.834 -0.703 1.00 0.00 H new ATOM 0 HG22 VAL B 120 -15.903 -6.523 -0.951 1.00 0.00 H new ATOM 0 HG23 VAL B 120 -14.555 -7.575 -0.457 1.00 0.00 H new ATOM 954 N VAL B 121 -13.602 -8.991 -4.606 1.00 0.00 N ATOM 955 CA VAL B 121 -13.060 -9.321 -5.919 1.00 0.00 C ATOM 956 C VAL B 121 -13.946 -10.327 -6.643 1.00 0.00 C ATOM 957 O VAL B 121 -14.294 -10.138 -7.810 1.00 0.00 O ATOM 958 CB VAL B 121 -11.634 -9.894 -5.810 1.00 0.00 C ATOM 959 CG1 VAL B 121 -11.100 -10.261 -7.186 1.00 0.00 C ATOM 960 CG2 VAL B 121 -10.713 -8.901 -5.117 1.00 0.00 C ATOM 0 H VAL B 121 -12.968 -9.177 -3.829 1.00 0.00 H new ATOM 0 HA VAL B 121 -13.028 -8.393 -6.490 1.00 0.00 H new ATOM 0 HB VAL B 121 -11.670 -10.802 -5.208 1.00 0.00 H new ATOM 0 HG11 VAL B 121 -10.092 -10.664 -7.089 1.00 0.00 H new ATOM 0 HG12 VAL B 121 -11.748 -11.010 -7.640 1.00 0.00 H new ATOM 0 HG13 VAL B 121 -11.077 -9.372 -7.816 1.00 0.00 H new ATOM 0 HG21 VAL B 121 -9.710 -9.322 -5.048 1.00 0.00 H new ATOM 0 HG22 VAL B 121 -10.679 -7.975 -5.690 1.00 0.00 H new ATOM 0 HG23 VAL B 121 -11.089 -8.694 -4.115 1.00 0.00 H new ATOM 970 N VAL B 122 -14.310 -11.398 -5.945 1.00 0.00 N ATOM 971 CA VAL B 122 -15.156 -12.435 -6.521 1.00 0.00 C ATOM 972 C VAL B 122 -16.437 -11.842 -7.099 1.00 0.00 C ATOM 973 O VAL B 122 -16.678 -11.913 -8.303 1.00 0.00 O ATOM 974 CB VAL B 122 -15.525 -13.504 -5.475 1.00 0.00 C ATOM 975 CG1 VAL B 122 -16.483 -14.525 -6.070 1.00 0.00 C ATOM 976 CG2 VAL B 122 -14.273 -14.183 -4.944 1.00 0.00 C ATOM 0 H VAL B 122 -14.032 -11.570 -4.979 1.00 0.00 H new ATOM 0 HA VAL B 122 -14.582 -12.903 -7.321 1.00 0.00 H new ATOM 0 HB VAL B 122 -16.027 -13.013 -4.641 1.00 0.00 H new ATOM 0 HG11 VAL B 122 -16.732 -15.272 -5.317 1.00 0.00 H new ATOM 0 HG12 VAL B 122 -17.393 -14.022 -6.398 1.00 0.00 H new ATOM 0 HG13 VAL B 122 -16.011 -15.013 -6.923 1.00 0.00 H new ATOM 0 HG21 VAL B 122 -14.552 -14.935 -4.206 1.00 0.00 H new ATOM 0 HG22 VAL B 122 -13.742 -14.661 -5.767 1.00 0.00 H new ATOM 0 HG23 VAL B 122 -13.626 -13.440 -4.478 1.00 0.00 H new ATOM 986 N GLY B 123 -17.255 -11.256 -6.230 1.00 0.00 N ATOM 987 CA GLY B 123 -18.502 -10.659 -6.673 1.00 0.00 C ATOM 988 C GLY B 123 -18.291 -9.579 -7.715 1.00 0.00 C ATOM 989 O GLY B 123 -18.909 -9.603 -8.780 1.00 0.00 O ATOM 0 H GLY B 123 -17.077 -11.184 -5.228 1.00 0.00 H new ATOM 0 HA2 GLY B 123 -19.147 -11.436 -7.085 1.00 0.00 H new ATOM 0 HA3 GLY B 123 -19.023 -10.234 -5.815 1.00 0.00 H new ATOM 993 N LEU B 124 -17.415 -8.628 -7.409 1.00 0.00 N ATOM 994 CA LEU B 124 -17.123 -7.532 -8.327 1.00 0.00 C ATOM 995 C LEU B 124 -16.767 -8.062 -9.713 1.00 0.00 C ATOM 996 O LEU B 124 -17.445 -7.766 -10.696 1.00 0.00 O ATOM 997 CB LEU B 124 -15.976 -6.678 -7.785 1.00 0.00 C ATOM 998 CG LEU B 124 -15.454 -5.585 -8.719 1.00 0.00 C ATOM 999 CD1 LEU B 124 -14.372 -6.137 -9.633 1.00 0.00 C ATOM 1000 CD2 LEU B 124 -16.593 -4.991 -9.535 1.00 0.00 C ATOM 0 H LEU B 124 -16.895 -8.594 -6.532 1.00 0.00 H new ATOM 0 HA LEU B 124 -18.018 -6.915 -8.413 1.00 0.00 H new ATOM 0 HB2 LEU B 124 -16.305 -6.209 -6.858 1.00 0.00 H new ATOM 0 HB3 LEU B 124 -15.146 -7.338 -7.531 1.00 0.00 H new ATOM 0 HG LEU B 124 -15.018 -4.792 -8.111 1.00 0.00 H new ATOM 0 HD11 LEU B 124 -14.012 -5.345 -10.290 1.00 0.00 H new ATOM 0 HD12 LEU B 124 -13.544 -6.513 -9.031 1.00 0.00 H new ATOM 0 HD13 LEU B 124 -14.782 -6.949 -10.233 1.00 0.00 H new ATOM 0 HD21 LEU B 124 -16.203 -4.215 -10.194 1.00 0.00 H new ATOM 0 HD22 LEU B 124 -17.059 -5.774 -10.133 1.00 0.00 H new ATOM 0 HD23 LEU B 124 -17.334 -4.558 -8.864 1.00 0.00 H new