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 Set 1.1: A 27 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0.00647 USER MOD Single : B 113 TYR OH : rot 180:sc= 0 USER MOD Single : B 115 SER OG : rot 180:sc= 0.00799 USER MOD ----------------------------------------------------------------- ATOM 155 N PRO A 11 2.196 -14.501 1.794 1.00 0.00 N ATOM 156 CA PRO A 11 0.855 -14.109 1.349 1.00 0.00 C ATOM 157 C PRO A 11 0.413 -14.868 0.103 1.00 0.00 C ATOM 158 O PRO A 11 -0.727 -14.740 -0.343 1.00 0.00 O ATOM 159 CB PRO A 11 1.006 -12.617 1.042 1.00 0.00 C ATOM 160 CG PRO A 11 2.451 -12.439 0.727 1.00 0.00 C ATOM 161 CD PRO A 11 3.187 -13.432 1.585 1.00 0.00 C ATOM 0 HA PRO A 11 0.095 -14.329 2.099 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.378 -12.320 0.202 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.708 -12.006 1.894 1.00 0.00 H new ATOM 0 HG2 PRO A 11 2.645 -12.618 -0.331 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.775 -11.421 0.943 1.00 0.00 H new ATOM 0 HD2 PRO A 11 4.083 -13.806 1.089 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.506 -12.989 2.529 1.00 0.00 H new ATOM 169 N VAL A 12 1.323 -15.660 -0.456 1.00 0.00 N ATOM 170 CA VAL A 12 1.026 -16.442 -1.650 1.00 0.00 C ATOM 171 C VAL A 12 -0.265 -17.234 -1.481 1.00 0.00 C ATOM 172 O VAL A 12 -0.954 -17.532 -2.457 1.00 0.00 O ATOM 173 CB VAL A 12 2.173 -17.414 -1.984 1.00 0.00 C ATOM 174 CG1 VAL A 12 2.076 -18.667 -1.127 1.00 0.00 C ATOM 175 CG2 VAL A 12 2.158 -17.768 -3.463 1.00 0.00 C ATOM 0 H VAL A 12 2.272 -15.777 -0.101 1.00 0.00 H new ATOM 0 HA VAL A 12 0.909 -15.735 -2.471 1.00 0.00 H new ATOM 0 HB VAL A 12 3.120 -16.922 -1.762 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.894 -19.343 -1.376 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.140 -18.393 -0.074 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.125 -19.164 -1.316 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.975 -18.456 -3.681 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.209 -18.241 -3.714 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.279 -16.861 -4.055 1.00 0.00 H new ATOM 185 N TYR A 13 -0.587 -17.573 -0.238 1.00 0.00 N ATOM 186 CA TYR A 13 -1.794 -18.335 0.058 1.00 0.00 C ATOM 187 C TYR A 13 -3.043 -17.541 -0.310 1.00 0.00 C ATOM 188 O TYR A 13 -3.937 -18.047 -0.990 1.00 0.00 O ATOM 189 CB TYR A 13 -1.834 -18.710 1.541 1.00 0.00 C ATOM 190 CG TYR A 13 -1.303 -20.096 1.828 1.00 0.00 C ATOM 191 CD1 TYR A 13 -0.135 -20.552 1.231 1.00 0.00 C ATOM 192 CD2 TYR A 13 -1.972 -20.951 2.697 1.00 0.00 C ATOM 193 CE1 TYR A 13 0.353 -21.818 1.490 1.00 0.00 C ATOM 194 CE2 TYR A 13 -1.491 -22.217 2.964 1.00 0.00 C ATOM 195 CZ TYR A 13 -0.328 -22.648 2.357 1.00 0.00 C ATOM 196 OH TYR A 13 0.154 -23.909 2.619 1.00 0.00 O ATOM 0 H TYR A 13 -0.029 -17.332 0.581 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.774 -19.246 -0.541 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.252 -17.982 2.107 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.862 -18.643 1.897 1.00 0.00 H new ATOM 0 HD1 TYR A 13 0.401 -19.905 0.552 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.884 -20.619 3.171 1.00 0.00 H new ATOM 0 HE1 TYR A 13 1.263 -22.156 1.016 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.021 -22.867 3.644 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.443 -24.363 3.250 1.00 0.00 H new ATOM 206 N CYS A 14 -3.098 -16.292 0.142 1.00 0.00 N ATOM 207 CA CYS A 14 -4.236 -15.426 -0.140 1.00 0.00 C ATOM 208 C CYS A 14 -4.353 -15.150 -1.636 1.00 0.00 C ATOM 209 O CYS A 14 -5.452 -14.984 -2.164 1.00 0.00 O ATOM 210 CB CYS A 14 -4.100 -14.107 0.623 1.00 0.00 C ATOM 211 SG CYS A 14 -5.692 -13.335 1.061 1.00 0.00 S ATOM 0 H CYS A 14 -2.367 -15.857 0.705 1.00 0.00 H new ATOM 0 HA CYS A 14 -5.140 -15.938 0.189 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -3.531 -14.284 1.536 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -3.523 -13.407 0.018 1.00 0.00 H new ATOM 216 N SER A 15 -3.211 -15.105 -2.315 1.00 0.00 N ATOM 217 CA SER A 15 -3.184 -14.846 -3.750 1.00 0.00 C ATOM 218 C SER A 15 -3.649 -16.071 -4.531 1.00 0.00 C ATOM 219 O SER A 15 -4.533 -15.977 -5.384 1.00 0.00 O ATOM 220 CB SER A 15 -1.774 -14.450 -4.191 1.00 0.00 C ATOM 221 OG SER A 15 -1.109 -13.716 -3.178 1.00 0.00 O ATOM 0 H SER A 15 -2.292 -15.245 -1.894 1.00 0.00 H new ATOM 0 HA SER A 15 -3.867 -14.023 -3.959 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.200 -15.345 -4.432 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.829 -13.852 -5.101 1.00 0.00 H new ATOM 0 HG SER A 15 -0.209 -13.477 -3.484 1.00 0.00 H new ATOM 227 N ILE A 16 -3.048 -17.218 -4.235 1.00 0.00 N ATOM 228 CA ILE A 16 -3.403 -18.462 -4.907 1.00 0.00 C ATOM 229 C ILE A 16 -4.853 -18.841 -4.633 1.00 0.00 C ATOM 230 O ILE A 16 -5.552 -19.344 -5.513 1.00 0.00 O ATOM 231 CB ILE A 16 -2.488 -19.620 -4.466 1.00 0.00 C ATOM 232 CG1 ILE A 16 -1.027 -19.297 -4.789 1.00 0.00 C ATOM 233 CG2 ILE A 16 -2.912 -20.916 -5.142 1.00 0.00 C ATOM 234 CD1 ILE A 16 -0.039 -20.046 -3.923 1.00 0.00 C ATOM 0 H ILE A 16 -2.313 -17.312 -3.534 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.271 -18.292 -5.976 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.582 -19.747 -3.388 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.833 -19.533 -5.835 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.865 -18.226 -4.669 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.256 -21.725 -4.821 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.940 -21.151 -4.866 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.844 -20.801 -6.224 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.976 -19.769 -4.206 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.206 -19.791 -2.876 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.174 -21.119 -4.061 1.00 0.00 H new ATOM 246 N LEU A 17 -5.302 -18.594 -3.407 1.00 0.00 N ATOM 247 CA LEU A 17 -6.671 -18.908 -3.016 1.00 0.00 C ATOM 248 C LEU A 17 -7.669 -18.070 -3.808 1.00 0.00 C ATOM 249 O LEU A 17 -8.564 -18.606 -4.462 1.00 0.00 O ATOM 250 CB LEU A 17 -6.863 -18.667 -1.517 1.00 0.00 C ATOM 251 CG LEU A 17 -8.260 -18.950 -0.965 1.00 0.00 C ATOM 252 CD1 LEU A 17 -8.244 -20.188 -0.081 1.00 0.00 C ATOM 253 CD2 LEU A 17 -8.782 -17.748 -0.192 1.00 0.00 C ATOM 0 H LEU A 17 -4.737 -18.177 -2.667 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.852 -19.960 -3.235 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.148 -19.286 -0.975 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.613 -17.628 -1.301 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.930 -19.136 -1.804 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -9.247 -20.374 0.303 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.914 -21.047 -0.664 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.560 -20.031 0.753 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -9.778 -17.968 0.194 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.111 -17.530 0.639 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.832 -16.883 -0.854 1.00 0.00 H new ATOM 265 N ALA A 18 -7.508 -16.753 -3.748 1.00 0.00 N ATOM 266 CA ALA A 18 -8.391 -15.841 -4.464 1.00 0.00 C ATOM 267 C ALA A 18 -8.524 -16.243 -5.929 1.00 0.00 C ATOM 268 O ALA A 18 -9.629 -16.317 -6.465 1.00 0.00 O ATOM 269 CB ALA A 18 -7.879 -14.412 -4.352 1.00 0.00 C ATOM 0 H ALA A 18 -6.773 -16.293 -3.210 1.00 0.00 H new ATOM 0 HA ALA A 18 -9.379 -15.898 -4.007 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -8.549 -13.742 -4.892 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.842 -14.120 -3.302 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.879 -14.349 -4.782 1.00 0.00 H new ATOM 275 N ALA A 19 -7.389 -16.502 -6.573 1.00 0.00 N ATOM 276 CA ALA A 19 -7.380 -16.896 -7.976 1.00 0.00 C ATOM 277 C ALA A 19 -8.245 -18.131 -8.204 1.00 0.00 C ATOM 278 O ALA A 19 -9.125 -18.134 -9.064 1.00 0.00 O ATOM 279 CB ALA A 19 -5.955 -17.153 -8.442 1.00 0.00 C ATOM 0 H ALA A 19 -6.465 -16.446 -6.145 1.00 0.00 H new ATOM 0 HA ALA A 19 -7.800 -16.078 -8.561 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.963 -17.447 -9.492 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.364 -16.245 -8.324 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.516 -17.952 -7.845 1.00 0.00 H new ATOM 285 N VAL A 20 -7.986 -19.180 -7.429 1.00 0.00 N ATOM 286 CA VAL A 20 -8.741 -20.422 -7.547 1.00 0.00 C ATOM 287 C VAL A 20 -10.225 -20.189 -7.282 1.00 0.00 C ATOM 288 O VAL A 20 -11.081 -20.877 -7.841 1.00 0.00 O ATOM 289 CB VAL A 20 -8.218 -21.492 -6.570 1.00 0.00 C ATOM 290 CG1 VAL A 20 -8.964 -22.804 -6.766 1.00 0.00 C ATOM 291 CG2 VAL A 20 -6.721 -21.688 -6.749 1.00 0.00 C ATOM 0 H VAL A 20 -7.259 -19.194 -6.713 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.608 -20.778 -8.569 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.397 -21.149 -5.551 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.581 -23.548 -6.067 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.027 -22.649 -6.584 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.818 -23.156 -7.787 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.367 -22.447 -6.051 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.516 -22.010 -7.770 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.205 -20.748 -6.554 1.00 0.00 H new ATOM 301 N VAL A 21 -10.524 -19.217 -6.428 1.00 0.00 N ATOM 302 CA VAL A 21 -11.904 -18.893 -6.088 1.00 0.00 C ATOM 303 C VAL A 21 -12.611 -18.214 -7.256 1.00 0.00 C ATOM 304 O VAL A 21 -13.639 -18.690 -7.736 1.00 0.00 O ATOM 305 CB VAL A 21 -11.979 -17.976 -4.854 1.00 0.00 C ATOM 306 CG1 VAL A 21 -13.421 -17.594 -4.558 1.00 0.00 C ATOM 307 CG2 VAL A 21 -11.342 -18.653 -3.649 1.00 0.00 C ATOM 0 H VAL A 21 -9.828 -18.639 -5.958 1.00 0.00 H new ATOM 0 HA VAL A 21 -12.404 -19.835 -5.861 1.00 0.00 H new ATOM 0 HB VAL A 21 -11.423 -17.063 -5.068 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -13.453 -16.946 -3.682 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -13.841 -17.068 -5.415 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -14.004 -18.495 -4.364 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -11.403 -17.991 -2.785 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -11.869 -19.582 -3.433 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.296 -18.871 -3.865 1.00 0.00 H new ATOM 317 N VAL A 22 -12.053 -17.095 -7.708 1.00 0.00 N ATOM 318 CA VAL A 22 -12.629 -16.349 -8.820 1.00 0.00 C ATOM 319 C VAL A 22 -12.882 -17.257 -10.019 1.00 0.00 C ATOM 320 O VAL A 22 -14.009 -17.370 -10.499 1.00 0.00 O ATOM 321 CB VAL A 22 -11.711 -15.190 -9.255 1.00 0.00 C ATOM 322 CG1 VAL A 22 -12.264 -14.506 -10.495 1.00 0.00 C ATOM 323 CG2 VAL A 22 -11.539 -14.194 -8.118 1.00 0.00 C ATOM 0 H VAL A 22 -11.203 -16.686 -7.321 1.00 0.00 H new ATOM 0 HA VAL A 22 -13.577 -15.941 -8.469 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.731 -15.598 -9.503 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.602 -13.691 -10.787 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.331 -15.228 -11.309 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -13.256 -14.109 -10.280 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -10.888 -13.382 -8.441 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -12.512 -13.790 -7.838 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -11.094 -14.696 -7.259 1.00 0.00 H new ATOM 333 N GLY A 23 -11.825 -17.905 -10.498 1.00 0.00 N ATOM 334 CA GLY A 23 -11.954 -18.797 -11.636 1.00 0.00 C ATOM 335 C GLY A 23 -12.993 -19.877 -11.410 1.00 0.00 C ATOM 336 O GLY A 23 -13.859 -20.102 -12.256 1.00 0.00 O ATOM 0 H GLY A 23 -10.881 -17.828 -10.119 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -12.223 -18.218 -12.519 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.990 -19.262 -11.841 1.00 0.00 H new ATOM 340 N LEU A 24 -12.908 -20.548 -10.267 1.00 0.00 N ATOM 341 CA LEU A 24 -13.848 -21.613 -9.933 1.00 0.00 C ATOM 342 C LEU A 24 -15.289 -21.134 -10.083 1.00 0.00 C ATOM 343 O LEU A 24 -16.051 -21.668 -10.888 1.00 0.00 O ATOM 344 CB LEU A 24 -13.608 -22.102 -8.504 1.00 0.00 C ATOM 345 CG LEU A 24 -14.601 -23.136 -7.972 1.00 0.00 C ATOM 346 CD1 LEU A 24 -14.411 -24.469 -8.679 1.00 0.00 C ATOM 347 CD2 LEU A 24 -14.445 -23.302 -6.468 1.00 0.00 C ATOM 0 H LEU A 24 -12.198 -20.374 -9.556 1.00 0.00 H new ATOM 0 HA LEU A 24 -13.685 -22.439 -10.626 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -12.606 -22.529 -8.451 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -13.622 -21.239 -7.839 1.00 0.00 H new ATOM 0 HG LEU A 24 -15.611 -22.780 -8.175 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -15.126 -25.193 -8.288 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -14.574 -24.340 -9.749 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -13.397 -24.831 -8.507 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -15.160 -24.042 -6.107 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -13.432 -23.636 -6.242 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -14.631 -22.348 -5.975 1.00 0.00 H new ATOM 359 N VAL A 25 -15.654 -20.120 -9.304 1.00 0.00 N ATOM 360 CA VAL A 25 -17.001 -19.565 -9.354 1.00 0.00 C ATOM 361 C VAL A 25 -17.402 -19.223 -10.784 1.00 0.00 C ATOM 362 O VAL A 25 -18.576 -19.303 -11.146 1.00 0.00 O ATOM 363 CB VAL A 25 -17.120 -18.300 -8.482 1.00 0.00 C ATOM 364 CG1 VAL A 25 -18.550 -17.781 -8.488 1.00 0.00 C ATOM 365 CG2 VAL A 25 -16.653 -18.587 -7.062 1.00 0.00 C ATOM 0 H VAL A 25 -15.036 -19.667 -8.631 1.00 0.00 H new ATOM 0 HA VAL A 25 -17.673 -20.330 -8.965 1.00 0.00 H new ATOM 0 HB VAL A 25 -16.477 -17.527 -8.902 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -18.615 -16.887 -7.867 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -18.844 -17.536 -9.509 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -19.217 -18.547 -8.093 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -16.744 -17.683 -6.460 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -17.269 -19.375 -6.629 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -15.612 -18.909 -7.079 1.00 0.00 H new ATOM 375 N ALA A 26 -16.419 -18.842 -11.592 1.00 0.00 N ATOM 376 CA ALA A 26 -16.669 -18.488 -12.985 1.00 0.00 C ATOM 377 C ALA A 26 -16.938 -19.730 -13.827 1.00 0.00 C ATOM 378 O ALA A 26 -17.799 -19.721 -14.707 1.00 0.00 O ATOM 379 CB ALA A 26 -15.491 -17.708 -13.551 1.00 0.00 C ATOM 0 H ALA A 26 -15.442 -18.770 -11.307 1.00 0.00 H new ATOM 0 HA ALA A 26 -17.558 -17.858 -13.020 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -15.691 -17.450 -14.591 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -15.347 -16.796 -12.972 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -14.590 -18.319 -13.495 1.00 0.00 H new ATOM 385 N TYR A 27 -16.196 -20.798 -13.553 1.00 0.00 N ATOM 386 CA TYR A 27 -16.353 -22.048 -14.286 1.00 0.00 C ATOM 387 C TYR A 27 -17.733 -22.652 -14.043 1.00 0.00 C ATOM 388 O TYR A 27 -18.329 -23.247 -14.940 1.00 0.00 O ATOM 389 CB TYR A 27 -15.267 -23.043 -13.877 1.00 0.00 C ATOM 390 CG TYR A 27 -15.342 -24.359 -14.618 1.00 0.00 C ATOM 391 CD1 TYR A 27 -15.046 -24.434 -15.974 1.00 0.00 C ATOM 392 CD2 TYR A 27 -15.712 -25.528 -13.964 1.00 0.00 C ATOM 393 CE1 TYR A 27 -15.114 -25.634 -16.655 1.00 0.00 C ATOM 394 CE2 TYR A 27 -15.781 -26.732 -14.637 1.00 0.00 C ATOM 395 CZ TYR A 27 -15.481 -26.781 -15.983 1.00 0.00 C ATOM 396 OH TYR A 27 -15.550 -27.978 -16.656 1.00 0.00 O ATOM 0 H TYR A 27 -15.479 -20.822 -12.828 1.00 0.00 H new ATOM 0 HA TYR A 27 -16.254 -21.832 -15.350 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -14.290 -22.593 -14.051 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -15.345 -23.233 -12.807 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -14.758 -23.538 -16.504 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -15.950 -25.494 -12.911 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -14.881 -25.674 -17.709 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -16.068 -27.631 -14.112 1.00 0.00 H new ATOM 0 HH TYR A 27 -15.822 -28.687 -16.036 1.00 0.00 H new ATOM 406 N ILE A 28 -18.232 -22.496 -12.821 1.00 0.00 N ATOM 407 CA ILE A 28 -19.541 -23.025 -12.458 1.00 0.00 C ATOM 408 C ILE A 28 -20.654 -22.068 -12.869 1.00 0.00 C ATOM 409 O ILE A 28 -21.709 -22.492 -13.341 1.00 0.00 O ATOM 410 CB ILE A 28 -19.640 -23.291 -10.944 1.00 0.00 C ATOM 411 CG1 ILE A 28 -18.560 -24.282 -10.506 1.00 0.00 C ATOM 412 CG2 ILE A 28 -21.023 -23.814 -10.588 1.00 0.00 C ATOM 413 CD1 ILE A 28 -17.697 -23.774 -9.373 1.00 0.00 C ATOM 0 H ILE A 28 -17.750 -22.008 -12.066 1.00 0.00 H new ATOM 0 HA ILE A 28 -19.660 -23.967 -12.993 1.00 0.00 H new ATOM 0 HB ILE A 28 -19.481 -22.352 -10.414 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -19.036 -25.214 -10.200 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -17.924 -24.515 -11.360 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -21.078 -23.997 -9.515 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -21.774 -23.076 -10.869 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -21.210 -24.744 -11.125 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -16.954 -24.528 -9.115 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -17.193 -22.858 -9.682 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -18.322 -23.568 -8.504 1.00 0.00 H new ATOM 425 N ALA A 29 -20.412 -20.774 -12.687 1.00 0.00 N ATOM 426 CA ALA A 29 -21.393 -19.756 -13.043 1.00 0.00 C ATOM 427 C ALA A 29 -21.651 -19.744 -14.546 1.00 0.00 C ATOM 428 O ALA A 29 -22.786 -19.915 -14.992 1.00 0.00 O ATOM 429 CB ALA A 29 -20.924 -18.386 -12.575 1.00 0.00 C ATOM 0 H ALA A 29 -19.545 -20.406 -12.295 1.00 0.00 H new ATOM 0 HA ALA A 29 -22.330 -19.998 -12.542 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -21.666 -17.635 -12.847 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -20.797 -18.395 -11.492 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -19.973 -18.145 -13.050 1.00 0.00 H new ATOM 435 N PHE A 30 -20.592 -19.539 -15.321 1.00 0.00 N ATOM 436 CA PHE A 30 -20.705 -19.503 -16.775 1.00 0.00 C ATOM 437 C PHE A 30 -21.503 -20.697 -17.289 1.00 0.00 C ATOM 438 O PHE A 30 -22.174 -20.614 -18.317 1.00 0.00 O ATOM 439 CB PHE A 30 -19.315 -19.490 -17.416 1.00 0.00 C ATOM 440 CG PHE A 30 -18.723 -18.115 -17.535 1.00 0.00 C ATOM 441 CD1 PHE A 30 -19.422 -17.098 -18.166 1.00 0.00 C ATOM 442 CD2 PHE A 30 -17.468 -17.839 -17.018 1.00 0.00 C ATOM 443 CE1 PHE A 30 -18.879 -15.832 -18.278 1.00 0.00 C ATOM 444 CE2 PHE A 30 -16.920 -16.575 -17.126 1.00 0.00 C ATOM 445 CZ PHE A 30 -17.627 -15.570 -17.757 1.00 0.00 C ATOM 0 H PHE A 30 -19.646 -19.395 -14.968 1.00 0.00 H new ATOM 0 HA PHE A 30 -21.233 -18.590 -17.050 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -18.645 -20.115 -16.825 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -19.377 -19.937 -18.408 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -20.402 -17.297 -18.575 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -16.911 -18.621 -16.524 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -19.433 -15.048 -18.773 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -15.941 -16.373 -16.718 1.00 0.00 H new ATOM 0 HZ PHE A 30 -17.202 -14.581 -17.843 1.00 0.00 H new ATOM 455 N LYS A 31 -21.425 -21.809 -16.564 1.00 0.00 N ATOM 456 CA LYS A 31 -22.139 -23.022 -16.944 1.00 0.00 C ATOM 457 C LYS A 31 -23.640 -22.861 -16.723 1.00 0.00 C ATOM 458 O LYS A 31 -24.431 -22.985 -17.657 1.00 0.00 O ATOM 459 CB LYS A 31 -21.619 -24.217 -16.141 1.00 0.00 C ATOM 460 CG LYS A 31 -21.957 -25.560 -16.763 1.00 0.00 C ATOM 461 CD LYS A 31 -20.951 -26.627 -16.366 1.00 0.00 C ATOM 462 CE LYS A 31 -20.147 -27.108 -17.564 1.00 0.00 C ATOM 463 NZ LYS A 31 -19.478 -28.412 -17.296 1.00 0.00 N1+ ATOM 0 H LYS A 31 -20.874 -21.894 -15.710 1.00 0.00 H new ATOM 0 HA LYS A 31 -21.963 -23.201 -18.005 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -20.537 -24.134 -16.042 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -22.036 -24.177 -15.135 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -22.955 -25.866 -16.451 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -21.978 -25.464 -17.849 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -20.275 -26.228 -15.609 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -21.473 -27.471 -15.914 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -20.806 -27.208 -18.427 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -19.396 -26.361 -17.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -18.940 -28.706 -18.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -18.830 -28.310 -16.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -20.196 -29.132 -17.076 1.00 0.00 H new ATOM 477 N ARG A 32 -24.024 -22.583 -15.481 1.00 0.00 N ATOM 478 CA ARG A 32 -25.429 -22.405 -15.137 1.00 0.00 C ATOM 479 C ARG A 32 -26.032 -21.233 -15.905 1.00 0.00 C ATOM 480 O ARG A 32 -27.237 -21.196 -16.155 1.00 0.00 O ATOM 481 CB ARG A 32 -25.584 -22.176 -13.633 1.00 0.00 C ATOM 482 CG ARG A 32 -25.037 -20.839 -13.160 1.00 0.00 C ATOM 483 CD ARG A 32 -25.405 -20.567 -11.710 1.00 0.00 C ATOM 484 NE ARG A 32 -25.850 -19.191 -11.507 1.00 0.00 N ATOM 485 CZ ARG A 32 -26.013 -18.641 -10.309 1.00 0.00 C ATOM 486 NH1 ARG A 32 -25.772 -19.347 -9.213 1.00 0.00 N1+ ATOM 487 NH2 ARG A 32 -26.420 -17.382 -10.206 1.00 0.00 N ATOM 0 H ARG A 32 -23.381 -22.476 -14.696 1.00 0.00 H new ATOM 0 HA ARG A 32 -25.963 -23.314 -15.416 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -26.640 -22.240 -13.372 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -25.074 -22.977 -13.098 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -23.953 -20.829 -13.269 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -25.428 -20.041 -13.791 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -26.194 -21.252 -11.402 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -24.543 -20.767 -11.074 1.00 0.00 H new ATOM 0 HE ARG A 32 -26.046 -18.621 -12.330 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -25.460 -20.315 -9.288 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -25.898 -18.922 -8.294 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -26.608 -16.836 -11.047 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -26.545 -16.960 -9.286 1.00 0.00 H new ATOM 808 N PRO B 111 -8.020 -13.400 9.816 1.00 0.00 N ATOM 809 CA PRO B 111 -8.124 -13.794 8.407 1.00 0.00 C ATOM 810 C PRO B 111 -9.237 -13.050 7.679 1.00 0.00 C ATOM 811 O PRO B 111 -9.393 -13.180 6.464 1.00 0.00 O ATOM 812 CB PRO B 111 -8.436 -15.291 8.479 1.00 0.00 C ATOM 813 CG PRO B 111 -9.087 -15.478 9.805 1.00 0.00 C ATOM 814 CD PRO B 111 -8.447 -14.476 10.726 1.00 0.00 C ATOM 0 HA PRO B 111 -7.216 -13.562 7.850 1.00 0.00 H new ATOM 0 HB2 PRO B 111 -9.096 -15.598 7.667 1.00 0.00 H new ATOM 0 HB3 PRO B 111 -7.529 -15.889 8.395 1.00 0.00 H new ATOM 0 HG2 PRO B 111 -10.163 -15.315 9.738 1.00 0.00 H new ATOM 0 HG3 PRO B 111 -8.941 -16.494 10.172 1.00 0.00 H new ATOM 0 HD2 PRO B 111 -9.150 -14.113 11.476 1.00 0.00 H new ATOM 0 HD3 PRO B 111 -7.602 -14.907 11.264 1.00 0.00 H new ATOM 822 N VAL B 112 -10.010 -12.270 8.427 1.00 0.00 N ATOM 823 CA VAL B 112 -11.110 -11.504 7.852 1.00 0.00 C ATOM 824 C VAL B 112 -10.645 -10.703 6.640 1.00 0.00 C ATOM 825 O VAL B 112 -11.429 -10.417 5.735 1.00 0.00 O ATOM 826 CB VAL B 112 -11.724 -10.541 8.885 1.00 0.00 C ATOM 827 CG1 VAL B 112 -10.884 -9.278 9.004 1.00 0.00 C ATOM 828 CG2 VAL B 112 -13.159 -10.204 8.510 1.00 0.00 C ATOM 0 H VAL B 112 -9.895 -12.151 9.434 1.00 0.00 H new ATOM 0 HA VAL B 112 -11.869 -12.222 7.541 1.00 0.00 H new ATOM 0 HB VAL B 112 -11.733 -11.035 9.857 1.00 0.00 H new ATOM 0 HG11 VAL B 112 -11.334 -8.610 9.738 1.00 0.00 H new ATOM 0 HG12 VAL B 112 -9.875 -9.541 9.322 1.00 0.00 H new ATOM 0 HG13 VAL B 112 -10.841 -8.777 8.037 1.00 0.00 H new ATOM 0 HG21 VAL B 112 -13.578 -9.523 9.250 1.00 0.00 H new ATOM 0 HG22 VAL B 112 -13.177 -9.729 7.529 1.00 0.00 H new ATOM 0 HG23 VAL B 112 -13.752 -11.118 8.482 1.00 0.00 H new ATOM 838 N TYR B 113 -9.366 -10.345 6.629 1.00 0.00 N ATOM 839 CA TYR B 113 -8.798 -9.577 5.528 1.00 0.00 C ATOM 840 C TYR B 113 -8.841 -10.374 4.228 1.00 0.00 C ATOM 841 O TYR B 113 -9.288 -9.875 3.194 1.00 0.00 O ATOM 842 CB TYR B 113 -7.356 -9.178 5.847 1.00 0.00 C ATOM 843 CG TYR B 113 -7.226 -7.789 6.429 1.00 0.00 C ATOM 844 CD1 TYR B 113 -8.093 -7.346 7.421 1.00 0.00 C ATOM 845 CD2 TYR B 113 -6.238 -6.919 5.987 1.00 0.00 C ATOM 846 CE1 TYR B 113 -7.978 -6.078 7.956 1.00 0.00 C ATOM 847 CE2 TYR B 113 -6.115 -5.648 6.516 1.00 0.00 C ATOM 848 CZ TYR B 113 -6.988 -5.232 7.500 1.00 0.00 C ATOM 849 OH TYR B 113 -6.870 -3.967 8.029 1.00 0.00 O ATOM 0 H TYR B 113 -8.703 -10.574 7.370 1.00 0.00 H new ATOM 0 HA TYR B 113 -9.398 -8.676 5.400 1.00 0.00 H new ATOM 0 HB2 TYR B 113 -6.936 -9.898 6.549 1.00 0.00 H new ATOM 0 HB3 TYR B 113 -6.761 -9.238 4.935 1.00 0.00 H new ATOM 0 HD1 TYR B 113 -8.870 -8.005 7.780 1.00 0.00 H new ATOM 0 HD2 TYR B 113 -5.554 -7.241 5.216 1.00 0.00 H new ATOM 0 HE1 TYR B 113 -8.659 -5.750 8.727 1.00 0.00 H new ATOM 0 HE2 TYR B 113 -5.340 -4.985 6.161 1.00 0.00 H new ATOM 0 HH TYR B 113 -6.122 -3.501 7.600 1.00 0.00 H new ATOM 859 N CYS B 114 -8.372 -11.615 4.288 1.00 0.00 N ATOM 860 CA CYS B 114 -8.358 -12.485 3.117 1.00 0.00 C ATOM 861 C CYS B 114 -9.776 -12.781 2.642 1.00 0.00 C ATOM 862 O CYS B 114 -10.019 -12.953 1.446 1.00 0.00 O ATOM 863 CB CYS B 114 -7.630 -13.792 3.436 1.00 0.00 C ATOM 864 SG CYS B 114 -6.831 -14.569 1.995 1.00 0.00 S ATOM 0 H CYS B 114 -7.996 -12.042 5.135 1.00 0.00 H new ATOM 0 HA CYS B 114 -7.828 -11.968 2.317 1.00 0.00 H new ATOM 0 HB2 CYS B 114 -6.874 -13.598 4.197 1.00 0.00 H new ATOM 0 HB3 CYS B 114 -8.342 -14.496 3.867 1.00 0.00 H new ATOM 869 N SER B 115 -10.711 -12.842 3.585 1.00 0.00 N ATOM 870 CA SER B 115 -12.105 -13.122 3.264 1.00 0.00 C ATOM 871 C SER B 115 -12.769 -11.908 2.620 1.00 0.00 C ATOM 872 O SER B 115 -13.383 -12.013 1.558 1.00 0.00 O ATOM 873 CB SER B 115 -12.869 -13.526 4.525 1.00 0.00 C ATOM 874 OG SER B 115 -12.038 -14.248 5.417 1.00 0.00 O ATOM 0 H SER B 115 -10.528 -12.701 4.578 1.00 0.00 H new ATOM 0 HA SER B 115 -12.130 -13.948 2.553 1.00 0.00 H new ATOM 0 HB2 SER B 115 -13.253 -12.635 5.022 1.00 0.00 H new ATOM 0 HB3 SER B 115 -13.731 -14.135 4.252 1.00 0.00 H new ATOM 0 HG SER B 115 -12.550 -14.493 6.216 1.00 0.00 H new ATOM 880 N ILE B 116 -12.639 -10.756 3.272 1.00 0.00 N ATOM 881 CA ILE B 116 -13.225 -9.522 2.763 1.00 0.00 C ATOM 882 C ILE B 116 -12.619 -9.139 1.418 1.00 0.00 C ATOM 883 O ILE B 116 -13.314 -8.649 0.528 1.00 0.00 O ATOM 884 CB ILE B 116 -13.030 -8.357 3.752 1.00 0.00 C ATOM 885 CG1 ILE B 116 -13.688 -8.684 5.095 1.00 0.00 C ATOM 886 CG2 ILE B 116 -13.601 -7.071 3.175 1.00 0.00 C ATOM 887 CD1 ILE B 116 -13.093 -7.925 6.260 1.00 0.00 C ATOM 0 H ILE B 116 -12.134 -10.652 4.152 1.00 0.00 H new ATOM 0 HA ILE B 116 -14.292 -9.707 2.638 1.00 0.00 H new ATOM 0 HB ILE B 116 -11.962 -8.215 3.917 1.00 0.00 H new ATOM 0 HG12 ILE B 116 -14.753 -8.461 5.032 1.00 0.00 H new ATOM 0 HG13 ILE B 116 -13.597 -9.754 5.284 1.00 0.00 H new ATOM 0 HG21 ILE B 116 -13.456 -6.257 3.886 1.00 0.00 H new ATOM 0 HG22 ILE B 116 -13.091 -6.833 2.242 1.00 0.00 H new ATOM 0 HG23 ILE B 116 -14.666 -7.200 2.984 1.00 0.00 H new ATOM 0 HD11 ILE B 116 -13.608 -8.206 7.179 1.00 0.00 H new ATOM 0 HD12 ILE B 116 -12.034 -8.167 6.349 1.00 0.00 H new ATOM 0 HD13 ILE B 116 -13.208 -6.854 6.093 1.00 0.00 H new ATOM 899 N LEU B 117 -11.317 -9.366 1.275 1.00 0.00 N ATOM 900 CA LEU B 117 -10.616 -9.047 0.037 1.00 0.00 C ATOM 901 C LEU B 117 -11.137 -9.894 -1.119 1.00 0.00 C ATOM 902 O LEU B 117 -11.570 -9.365 -2.142 1.00 0.00 O ATOM 903 CB LEU B 117 -9.111 -9.267 0.209 1.00 0.00 C ATOM 904 CG LEU B 117 -8.247 -8.984 -1.020 1.00 0.00 C ATOM 905 CD1 LEU B 117 -7.396 -7.744 -0.801 1.00 0.00 C ATOM 906 CD2 LEU B 117 -7.370 -10.185 -1.342 1.00 0.00 C ATOM 0 H LEU B 117 -10.726 -9.770 2.002 1.00 0.00 H new ATOM 0 HA LEU B 117 -10.800 -7.998 -0.195 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -8.763 -8.636 1.026 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -8.948 -10.301 0.513 1.00 0.00 H new ATOM 0 HG LEU B 117 -8.906 -8.801 -1.869 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -6.788 -7.559 -1.687 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -8.043 -6.886 -0.619 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -6.746 -7.897 0.060 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -6.762 -9.966 -2.220 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -6.720 -10.399 -0.494 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -8.000 -11.052 -1.544 1.00 0.00 H new ATOM 918 N ALA B 118 -11.093 -11.211 -0.947 1.00 0.00 N ATOM 919 CA ALA B 118 -11.566 -12.131 -1.973 1.00 0.00 C ATOM 920 C ALA B 118 -12.963 -11.751 -2.451 1.00 0.00 C ATOM 921 O ALA B 118 -13.220 -11.681 -3.653 1.00 0.00 O ATOM 922 CB ALA B 118 -11.556 -13.559 -1.447 1.00 0.00 C ATOM 0 H ALA B 118 -10.735 -11.664 -0.107 1.00 0.00 H new ATOM 0 HA ALA B 118 -10.889 -12.064 -2.825 1.00 0.00 H new ATOM 0 HB1 ALA B 118 -11.912 -14.235 -2.224 1.00 0.00 H new ATOM 0 HB2 ALA B 118 -10.541 -13.835 -1.163 1.00 0.00 H new ATOM 0 HB3 ALA B 118 -12.209 -13.631 -0.577 1.00 0.00 H new ATOM 928 N ALA B 119 -13.861 -11.506 -1.503 1.00 0.00 N ATOM 929 CA ALA B 119 -15.232 -11.131 -1.828 1.00 0.00 C ATOM 930 C ALA B 119 -15.267 -9.898 -2.724 1.00 0.00 C ATOM 931 O ALA B 119 -15.899 -9.903 -3.780 1.00 0.00 O ATOM 932 CB ALA B 119 -16.027 -10.883 -0.555 1.00 0.00 C ATOM 0 H ALA B 119 -13.664 -11.560 -0.504 1.00 0.00 H new ATOM 0 HA ALA B 119 -15.688 -11.957 -2.374 1.00 0.00 H new ATOM 0 HB1 ALA B 119 -17.049 -10.604 -0.813 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -16.040 -11.791 0.048 1.00 0.00 H new ATOM 0 HB3 ALA B 119 -15.563 -10.077 0.013 1.00 0.00 H new ATOM 938 N VAL B 120 -14.582 -8.842 -2.296 1.00 0.00 N ATOM 939 CA VAL B 120 -14.534 -7.601 -3.060 1.00 0.00 C ATOM 940 C VAL B 120 -13.916 -7.826 -4.435 1.00 0.00 C ATOM 941 O VAL B 120 -14.264 -7.150 -5.403 1.00 0.00 O ATOM 942 CB VAL B 120 -13.731 -6.516 -2.319 1.00 0.00 C ATOM 943 CG1 VAL B 120 -13.760 -5.207 -3.092 1.00 0.00 C ATOM 944 CG2 VAL B 120 -14.269 -6.324 -0.908 1.00 0.00 C ATOM 0 H VAL B 120 -14.053 -8.821 -1.424 1.00 0.00 H new ATOM 0 HA VAL B 120 -15.563 -7.262 -3.179 1.00 0.00 H new ATOM 0 HB VAL B 120 -12.694 -6.844 -2.246 1.00 0.00 H new ATOM 0 HG11 VAL B 120 -13.187 -4.453 -2.552 1.00 0.00 H new ATOM 0 HG12 VAL B 120 -13.322 -5.357 -4.079 1.00 0.00 H new ATOM 0 HG13 VAL B 120 -14.791 -4.871 -3.200 1.00 0.00 H new ATOM 0 HG21 VAL B 120 -13.689 -5.554 -0.399 1.00 0.00 H new ATOM 0 HG22 VAL B 120 -15.315 -6.020 -0.956 1.00 0.00 H new ATOM 0 HG23 VAL B 120 -14.189 -7.261 -0.357 1.00 0.00 H new ATOM 954 N VAL B 121 -12.994 -8.781 -4.514 1.00 0.00 N ATOM 955 CA VAL B 121 -12.328 -9.097 -5.772 1.00 0.00 C ATOM 956 C VAL B 121 -13.280 -9.790 -6.739 1.00 0.00 C ATOM 957 O VAL B 121 -13.514 -9.311 -7.850 1.00 0.00 O ATOM 958 CB VAL B 121 -11.099 -9.998 -5.544 1.00 0.00 C ATOM 959 CG1 VAL B 121 -10.461 -10.374 -6.873 1.00 0.00 C ATOM 960 CG2 VAL B 121 -10.094 -9.307 -4.637 1.00 0.00 C ATOM 0 H VAL B 121 -12.692 -9.349 -3.722 1.00 0.00 H new ATOM 0 HA VAL B 121 -12.002 -8.151 -6.204 1.00 0.00 H new ATOM 0 HB VAL B 121 -11.426 -10.914 -5.053 1.00 0.00 H new ATOM 0 HG11 VAL B 121 -9.594 -11.010 -6.693 1.00 0.00 H new ATOM 0 HG12 VAL B 121 -11.185 -10.911 -7.485 1.00 0.00 H new ATOM 0 HG13 VAL B 121 -10.145 -9.470 -7.394 1.00 0.00 H new ATOM 0 HG21 VAL B 121 -9.232 -9.957 -4.487 1.00 0.00 H new ATOM 0 HG22 VAL B 121 -9.769 -8.375 -5.098 1.00 0.00 H new ATOM 0 HG23 VAL B 121 -10.559 -9.093 -3.675 1.00 0.00 H new ATOM 970 N VAL B 122 -13.830 -10.923 -6.311 1.00 0.00 N ATOM 971 CA VAL B 122 -14.759 -11.683 -7.140 1.00 0.00 C ATOM 972 C VAL B 122 -15.879 -10.795 -7.668 1.00 0.00 C ATOM 973 O VAL B 122 -16.077 -10.680 -8.877 1.00 0.00 O ATOM 974 CB VAL B 122 -15.375 -12.858 -6.357 1.00 0.00 C ATOM 975 CG1 VAL B 122 -16.425 -13.568 -7.199 1.00 0.00 C ATOM 976 CG2 VAL B 122 -14.292 -13.829 -5.912 1.00 0.00 C ATOM 0 H VAL B 122 -13.648 -11.334 -5.395 1.00 0.00 H new ATOM 0 HA VAL B 122 -14.186 -12.075 -7.980 1.00 0.00 H new ATOM 0 HB VAL B 122 -15.863 -12.462 -5.467 1.00 0.00 H new ATOM 0 HG11 VAL B 122 -16.849 -14.395 -6.630 1.00 0.00 H new ATOM 0 HG12 VAL B 122 -17.216 -12.866 -7.463 1.00 0.00 H new ATOM 0 HG13 VAL B 122 -15.963 -13.953 -8.108 1.00 0.00 H new ATOM 0 HG21 VAL B 122 -14.746 -14.652 -5.360 1.00 0.00 H new ATOM 0 HG22 VAL B 122 -13.773 -14.221 -6.787 1.00 0.00 H new ATOM 0 HG23 VAL B 122 -13.580 -13.311 -5.269 1.00 0.00 H new ATOM 986 N GLY B 123 -16.610 -10.166 -6.752 1.00 0.00 N ATOM 987 CA GLY B 123 -17.702 -9.296 -7.146 1.00 0.00 C ATOM 988 C GLY B 123 -17.261 -8.207 -8.105 1.00 0.00 C ATOM 989 O GLY B 123 -17.891 -7.989 -9.140 1.00 0.00 O ATOM 0 H GLY B 123 -16.465 -10.244 -5.745 1.00 0.00 H new ATOM 0 HA2 GLY B 123 -18.486 -9.892 -7.614 1.00 0.00 H new ATOM 0 HA3 GLY B 123 -18.137 -8.839 -6.257 1.00 0.00 H new ATOM 993 N LEU B 124 -16.176 -7.522 -7.760 1.00 0.00 N ATOM 994 CA LEU B 124 -15.651 -6.450 -8.598 1.00 0.00 C ATOM 995 C LEU B 124 -15.465 -6.922 -10.035 1.00 0.00 C ATOM 996 O LEU B 124 -16.085 -6.395 -10.960 1.00 0.00 O ATOM 997 CB LEU B 124 -14.320 -5.944 -8.039 1.00 0.00 C ATOM 998 CG LEU B 124 -13.592 -4.897 -8.881 1.00 0.00 C ATOM 999 CD1 LEU B 124 -14.353 -3.580 -8.870 1.00 0.00 C ATOM 1000 CD2 LEU B 124 -12.171 -4.698 -8.375 1.00 0.00 C ATOM 0 H LEU B 124 -15.643 -7.690 -6.906 1.00 0.00 H new ATOM 0 HA LEU B 124 -16.374 -5.634 -8.595 1.00 0.00 H new ATOM 0 HB2 LEU B 124 -14.501 -5.523 -7.050 1.00 0.00 H new ATOM 0 HB3 LEU B 124 -13.657 -6.799 -7.906 1.00 0.00 H new ATOM 0 HG LEU B 124 -13.543 -5.256 -9.909 1.00 0.00 H new ATOM 0 HD11 LEU B 124 -13.820 -2.847 -9.475 1.00 0.00 H new ATOM 0 HD12 LEU B 124 -15.351 -3.733 -9.281 1.00 0.00 H new ATOM 0 HD13 LEU B 124 -14.435 -3.216 -7.846 1.00 0.00 H new ATOM 0 HD21 LEU B 124 -11.668 -3.949 -8.987 1.00 0.00 H new ATOM 0 HD22 LEU B 124 -12.198 -4.362 -7.339 1.00 0.00 H new ATOM 0 HD23 LEU B 124 -11.627 -5.641 -8.437 1.00 0.00 H new