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 1.200 -13.009 0.938 1.00 0.00 N ATOM 156 CA PRO A 11 0.379 -12.332 -0.069 1.00 0.00 C ATOM 157 C PRO A 11 0.025 -13.244 -1.240 1.00 0.00 C ATOM 158 O PRO A 11 -1.125 -13.297 -1.674 1.00 0.00 O ATOM 159 CB PRO A 11 1.271 -11.180 -0.539 1.00 0.00 C ATOM 160 CG PRO A 11 2.661 -11.645 -0.269 1.00 0.00 C ATOM 161 CD PRO A 11 2.580 -12.497 0.966 1.00 0.00 C ATOM 0 HA PRO A 11 -0.579 -12.009 0.338 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.122 -10.970 -1.598 1.00 0.00 H new ATOM 0 HB3 PRO A 11 1.049 -10.260 0.002 1.00 0.00 H new ATOM 0 HG2 PRO A 11 3.052 -12.215 -1.111 1.00 0.00 H new ATOM 0 HG3 PRO A 11 3.332 -10.800 -0.117 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.309 -13.307 0.944 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.775 -11.917 1.868 1.00 0.00 H new ATOM 169 N VAL A 12 1.023 -13.961 -1.745 1.00 0.00 N ATOM 170 CA VAL A 12 0.818 -14.873 -2.865 1.00 0.00 C ATOM 171 C VAL A 12 -0.350 -15.815 -2.599 1.00 0.00 C ATOM 172 O VAL A 12 -1.013 -16.279 -3.528 1.00 0.00 O ATOM 173 CB VAL A 12 2.082 -15.706 -3.149 1.00 0.00 C ATOM 174 CG1 VAL A 12 2.223 -16.825 -2.129 1.00 0.00 C ATOM 175 CG2 VAL A 12 2.044 -16.265 -4.563 1.00 0.00 C ATOM 0 H VAL A 12 1.981 -13.929 -1.397 1.00 0.00 H new ATOM 0 HA VAL A 12 0.594 -14.259 -3.737 1.00 0.00 H new ATOM 0 HB VAL A 12 2.952 -15.056 -3.063 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.121 -17.403 -2.345 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.298 -16.398 -1.129 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.351 -17.477 -2.181 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.945 -16.851 -4.747 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.167 -16.902 -4.679 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.993 -15.444 -5.278 1.00 0.00 H new ATOM 185 N TYR A 13 -0.599 -16.096 -1.324 1.00 0.00 N ATOM 186 CA TYR A 13 -1.684 -16.987 -0.935 1.00 0.00 C ATOM 187 C TYR A 13 -3.039 -16.386 -1.299 1.00 0.00 C ATOM 188 O TYR A 13 -3.879 -17.045 -1.913 1.00 0.00 O ATOM 189 CB TYR A 13 -1.627 -17.270 0.567 1.00 0.00 C ATOM 190 CG TYR A 13 -1.113 -18.652 0.904 1.00 0.00 C ATOM 191 CD1 TYR A 13 -0.020 -19.189 0.236 1.00 0.00 C ATOM 192 CD2 TYR A 13 -1.720 -19.419 1.890 1.00 0.00 C ATOM 193 CE1 TYR A 13 0.453 -20.452 0.540 1.00 0.00 C ATOM 194 CE2 TYR A 13 -1.254 -20.681 2.202 1.00 0.00 C ATOM 195 CZ TYR A 13 -0.167 -21.193 1.524 1.00 0.00 C ATOM 196 OH TYR A 13 0.302 -22.450 1.830 1.00 0.00 O ATOM 0 H TYR A 13 -0.063 -15.719 -0.543 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.563 -17.924 -1.479 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -0.987 -16.527 1.044 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.625 -17.150 0.989 1.00 0.00 H new ATOM 0 HD1 TYR A 13 0.469 -18.610 -0.534 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.572 -19.021 2.422 1.00 0.00 H new ATOM 0 HE1 TYR A 13 1.303 -20.856 0.010 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.738 -21.264 2.972 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.244 -22.838 2.545 1.00 0.00 H new ATOM 206 N CYS A 14 -3.243 -15.130 -0.917 1.00 0.00 N ATOM 207 CA CYS A 14 -4.494 -14.437 -1.202 1.00 0.00 C ATOM 208 C CYS A 14 -4.667 -14.224 -2.703 1.00 0.00 C ATOM 209 O CYS A 14 -5.790 -14.176 -3.208 1.00 0.00 O ATOM 210 CB CYS A 14 -4.532 -13.091 -0.477 1.00 0.00 C ATOM 211 SG CYS A 14 -6.024 -12.833 0.536 1.00 0.00 S ATOM 0 H CYS A 14 -2.558 -14.571 -0.409 1.00 0.00 H new ATOM 0 HA CYS A 14 -5.315 -15.058 -0.844 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -3.653 -13.010 0.163 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.464 -12.291 -1.214 1.00 0.00 H new ATOM 216 N SER A 15 -3.549 -14.099 -3.410 1.00 0.00 N ATOM 217 CA SER A 15 -3.577 -13.888 -4.853 1.00 0.00 C ATOM 218 C SER A 15 -3.932 -15.178 -5.585 1.00 0.00 C ATOM 219 O SER A 15 -4.823 -15.197 -6.434 1.00 0.00 O ATOM 220 CB SER A 15 -2.223 -13.367 -5.339 1.00 0.00 C ATOM 221 OG SER A 15 -2.110 -11.970 -5.132 1.00 0.00 O ATOM 0 H SER A 15 -2.613 -14.140 -3.008 1.00 0.00 H new ATOM 0 HA SER A 15 -4.344 -13.145 -5.072 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.421 -13.882 -4.811 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.102 -13.592 -6.399 1.00 0.00 H new ATOM 0 HG SER A 15 -1.235 -11.662 -5.449 1.00 0.00 H new ATOM 227 N ILE A 16 -3.226 -16.253 -5.250 1.00 0.00 N ATOM 228 CA ILE A 16 -3.468 -17.549 -5.873 1.00 0.00 C ATOM 229 C ILE A 16 -4.843 -18.092 -5.497 1.00 0.00 C ATOM 230 O ILE A 16 -5.531 -18.696 -6.321 1.00 0.00 O ATOM 231 CB ILE A 16 -2.394 -18.576 -5.470 1.00 0.00 C ATOM 232 CG1 ILE A 16 -1.006 -18.087 -5.887 1.00 0.00 C ATOM 233 CG2 ILE A 16 -2.695 -19.930 -6.096 1.00 0.00 C ATOM 234 CD1 ILE A 16 0.122 -18.753 -5.131 1.00 0.00 C ATOM 0 H ILE A 16 -2.483 -16.252 -4.552 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.424 -17.394 -6.951 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.408 -18.687 -4.386 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.872 -18.265 -6.954 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.948 -17.009 -5.734 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.927 -20.646 -5.802 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.668 -20.281 -5.753 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.705 -19.835 -7.182 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.076 -18.358 -5.479 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.013 -18.553 -4.065 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.090 -19.829 -5.304 1.00 0.00 H new ATOM 246 N LEU A 17 -5.238 -17.873 -4.247 1.00 0.00 N ATOM 247 CA LEU A 17 -6.531 -18.337 -3.760 1.00 0.00 C ATOM 248 C LEU A 17 -7.671 -17.575 -4.429 1.00 0.00 C ATOM 249 O LEU A 17 -8.558 -18.173 -5.036 1.00 0.00 O ATOM 250 CB LEU A 17 -6.616 -18.175 -2.241 1.00 0.00 C ATOM 251 CG LEU A 17 -7.924 -18.623 -1.591 1.00 0.00 C ATOM 252 CD1 LEU A 17 -7.668 -19.736 -0.587 1.00 0.00 C ATOM 253 CD2 LEU A 17 -8.616 -17.445 -0.918 1.00 0.00 C ATOM 0 H LEU A 17 -4.680 -17.376 -3.552 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.627 -19.393 -4.012 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.798 -18.737 -1.789 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.454 -17.125 -1.998 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.581 -19.009 -2.371 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.611 -20.042 -0.134 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.216 -20.588 -1.095 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.993 -19.377 0.190 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -9.546 -17.782 -0.460 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.963 -17.030 -0.150 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.835 -16.678 -1.661 1.00 0.00 H new ATOM 265 N ALA A 18 -7.638 -16.251 -4.314 1.00 0.00 N ATOM 266 CA ALA A 18 -8.664 -15.406 -4.912 1.00 0.00 C ATOM 267 C ALA A 18 -8.879 -15.760 -6.380 1.00 0.00 C ATOM 268 O ALA A 18 -10.014 -15.854 -6.846 1.00 0.00 O ATOM 269 CB ALA A 18 -8.289 -13.939 -4.770 1.00 0.00 C ATOM 0 H ALA A 18 -6.911 -15.741 -3.812 1.00 0.00 H new ATOM 0 HA ALA A 18 -9.600 -15.583 -4.382 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -9.064 -13.320 -5.221 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.194 -13.688 -3.713 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.340 -13.756 -5.273 1.00 0.00 H new ATOM 275 N ALA A 19 -7.782 -15.954 -7.105 1.00 0.00 N ATOM 276 CA ALA A 19 -7.851 -16.297 -8.520 1.00 0.00 C ATOM 277 C ALA A 19 -8.623 -17.595 -8.733 1.00 0.00 C ATOM 278 O ALA A 19 -9.628 -17.621 -9.444 1.00 0.00 O ATOM 279 CB ALA A 19 -6.451 -16.411 -9.104 1.00 0.00 C ATOM 0 H ALA A 19 -6.834 -15.879 -6.735 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.384 -15.499 -9.037 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.518 -16.668 -10.161 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.932 -15.459 -8.994 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.899 -17.188 -8.576 1.00 0.00 H new ATOM 285 N VAL A 20 -8.147 -18.669 -8.112 1.00 0.00 N ATOM 286 CA VAL A 20 -8.793 -19.971 -8.234 1.00 0.00 C ATOM 287 C VAL A 20 -10.277 -19.881 -7.898 1.00 0.00 C ATOM 288 O VAL A 20 -11.103 -20.572 -8.495 1.00 0.00 O ATOM 289 CB VAL A 20 -8.132 -21.014 -7.312 1.00 0.00 C ATOM 290 CG1 VAL A 20 -8.766 -22.381 -7.515 1.00 0.00 C ATOM 291 CG2 VAL A 20 -6.633 -21.069 -7.561 1.00 0.00 C ATOM 0 H VAL A 20 -7.317 -18.664 -7.520 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.676 -20.287 -9.271 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.294 -20.715 -6.276 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.287 -23.106 -6.856 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -9.830 -22.327 -7.283 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.636 -22.692 -8.552 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.182 -21.810 -6.902 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.446 -21.345 -8.599 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.195 -20.091 -7.361 1.00 0.00 H new ATOM 301 N VAL A 21 -10.611 -19.023 -6.939 1.00 0.00 N ATOM 302 CA VAL A 21 -11.997 -18.842 -6.523 1.00 0.00 C ATOM 303 C VAL A 21 -12.794 -18.089 -7.583 1.00 0.00 C ATOM 304 O VAL A 21 -13.869 -18.525 -7.993 1.00 0.00 O ATOM 305 CB VAL A 21 -12.088 -18.078 -5.189 1.00 0.00 C ATOM 306 CG1 VAL A 21 -13.540 -17.849 -4.802 1.00 0.00 C ATOM 307 CG2 VAL A 21 -11.347 -18.830 -4.093 1.00 0.00 C ATOM 0 H VAL A 21 -9.941 -18.442 -6.435 1.00 0.00 H new ATOM 0 HA VAL A 21 -12.421 -19.838 -6.392 1.00 0.00 H new ATOM 0 HB VAL A 21 -11.614 -17.105 -5.315 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -13.584 -17.308 -3.857 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -14.036 -17.265 -5.578 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -14.044 -18.810 -4.694 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -11.422 -18.276 -3.157 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -11.790 -19.818 -3.966 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.298 -18.936 -4.370 1.00 0.00 H new ATOM 317 N VAL A 22 -12.259 -16.954 -8.022 1.00 0.00 N ATOM 318 CA VAL A 22 -12.919 -16.140 -9.036 1.00 0.00 C ATOM 319 C VAL A 22 -13.292 -16.976 -10.255 1.00 0.00 C ATOM 320 O VAL A 22 -14.461 -17.056 -10.631 1.00 0.00 O ATOM 321 CB VAL A 22 -12.025 -14.969 -9.484 1.00 0.00 C ATOM 322 CG1 VAL A 22 -12.680 -14.205 -10.625 1.00 0.00 C ATOM 323 CG2 VAL A 22 -11.730 -14.045 -8.312 1.00 0.00 C ATOM 0 H VAL A 22 -11.371 -16.577 -7.691 1.00 0.00 H new ATOM 0 HA VAL A 22 -13.826 -15.742 -8.581 1.00 0.00 H new ATOM 0 HB VAL A 22 -11.079 -15.373 -9.844 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -12.034 -13.381 -10.929 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.835 -14.876 -11.470 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -13.641 -13.810 -10.294 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -11.097 -13.223 -8.647 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -12.665 -13.646 -7.919 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -11.216 -14.603 -7.529 1.00 0.00 H new ATOM 333 N GLY A 23 -12.290 -17.599 -10.868 1.00 0.00 N ATOM 334 CA GLY A 23 -12.534 -18.423 -12.038 1.00 0.00 C ATOM 335 C GLY A 23 -13.506 -19.552 -11.759 1.00 0.00 C ATOM 336 O GLY A 23 -14.529 -19.680 -12.432 1.00 0.00 O ATOM 0 H GLY A 23 -11.314 -17.548 -10.576 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -12.926 -17.800 -12.842 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.590 -18.839 -12.389 1.00 0.00 H new ATOM 340 N LEU A 24 -13.185 -20.375 -10.768 1.00 0.00 N ATOM 341 CA LEU A 24 -14.037 -21.501 -10.402 1.00 0.00 C ATOM 342 C LEU A 24 -15.480 -21.050 -10.201 1.00 0.00 C ATOM 343 O LEU A 24 -16.385 -21.491 -10.910 1.00 0.00 O ATOM 344 CB LEU A 24 -13.517 -22.167 -9.127 1.00 0.00 C ATOM 345 CG LEU A 24 -12.303 -23.082 -9.294 1.00 0.00 C ATOM 346 CD1 LEU A 24 -11.742 -23.478 -7.938 1.00 0.00 C ATOM 347 CD2 LEU A 24 -12.674 -24.318 -10.102 1.00 0.00 C ATOM 0 H LEU A 24 -12.341 -20.284 -10.203 1.00 0.00 H new ATOM 0 HA LEU A 24 -14.012 -22.223 -11.218 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -13.262 -21.386 -8.411 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -14.328 -22.749 -8.689 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.532 -22.535 -9.837 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.879 -24.129 -8.077 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.438 -22.583 -7.395 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -12.506 -24.006 -7.368 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.798 -24.958 -10.211 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -13.462 -24.867 -9.586 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -13.027 -24.016 -11.088 1.00 0.00 H new ATOM 359 N VAL A 25 -15.689 -20.165 -9.231 1.00 0.00 N ATOM 360 CA VAL A 25 -17.020 -19.648 -8.939 1.00 0.00 C ATOM 361 C VAL A 25 -17.674 -19.074 -10.192 1.00 0.00 C ATOM 362 O VAL A 25 -18.893 -19.130 -10.349 1.00 0.00 O ATOM 363 CB VAL A 25 -16.975 -18.558 -7.852 1.00 0.00 C ATOM 364 CG1 VAL A 25 -18.372 -18.025 -7.572 1.00 0.00 C ATOM 365 CG2 VAL A 25 -16.338 -19.101 -6.581 1.00 0.00 C ATOM 0 H VAL A 25 -14.952 -19.791 -8.633 1.00 0.00 H new ATOM 0 HA VAL A 25 -17.612 -20.488 -8.575 1.00 0.00 H new ATOM 0 HB VAL A 25 -16.363 -17.732 -8.214 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -18.320 -17.256 -6.801 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -18.788 -17.597 -8.484 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -19.010 -18.839 -7.229 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -16.314 -18.318 -5.823 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -16.922 -19.945 -6.213 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -15.321 -19.430 -6.795 1.00 0.00 H new ATOM 375 N ALA A 26 -16.853 -18.524 -11.080 1.00 0.00 N ATOM 376 CA ALA A 26 -17.351 -17.940 -12.321 1.00 0.00 C ATOM 377 C ALA A 26 -17.787 -19.024 -13.302 1.00 0.00 C ATOM 378 O ALA A 26 -18.722 -18.832 -14.078 1.00 0.00 O ATOM 379 CB ALA A 26 -16.287 -17.053 -12.950 1.00 0.00 C ATOM 0 H ALA A 26 -15.841 -18.470 -10.964 1.00 0.00 H new ATOM 0 HA ALA A 26 -18.223 -17.331 -12.083 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -16.672 -16.624 -13.875 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -16.026 -16.251 -12.259 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -15.400 -17.648 -13.167 1.00 0.00 H new ATOM 385 N TYR A 27 -17.103 -20.161 -13.261 1.00 0.00 N ATOM 386 CA TYR A 27 -17.418 -21.275 -14.147 1.00 0.00 C ATOM 387 C TYR A 27 -18.707 -21.968 -13.713 1.00 0.00 C ATOM 388 O TYR A 27 -19.476 -22.450 -14.545 1.00 0.00 O ATOM 389 CB TYR A 27 -16.267 -22.282 -14.166 1.00 0.00 C ATOM 390 CG TYR A 27 -16.468 -23.414 -15.147 1.00 0.00 C ATOM 391 CD1 TYR A 27 -16.499 -23.177 -16.516 1.00 0.00 C ATOM 392 CD2 TYR A 27 -16.630 -24.721 -14.707 1.00 0.00 C ATOM 393 CE1 TYR A 27 -16.684 -24.208 -17.416 1.00 0.00 C ATOM 394 CE2 TYR A 27 -16.814 -25.760 -15.599 1.00 0.00 C ATOM 395 CZ TYR A 27 -16.841 -25.498 -16.953 1.00 0.00 C ATOM 396 OH TYR A 27 -17.026 -26.528 -17.846 1.00 0.00 O ATOM 0 H TYR A 27 -16.326 -20.336 -12.623 1.00 0.00 H new ATOM 0 HA TYR A 27 -17.560 -20.877 -15.152 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -15.343 -21.759 -14.412 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -16.142 -22.697 -13.166 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -16.376 -22.169 -16.883 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -16.612 -24.929 -13.647 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -16.706 -24.005 -18.477 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -16.936 -26.771 -15.238 1.00 0.00 H new ATOM 0 HH TYR A 27 -17.119 -27.372 -17.357 1.00 0.00 H new ATOM 406 N ILE A 28 -18.935 -22.013 -12.404 1.00 0.00 N ATOM 407 CA ILE A 28 -20.129 -22.645 -11.859 1.00 0.00 C ATOM 408 C ILE A 28 -21.312 -21.681 -11.863 1.00 0.00 C ATOM 409 O ILE A 28 -22.374 -21.988 -12.403 1.00 0.00 O ATOM 410 CB ILE A 28 -19.895 -23.147 -10.422 1.00 0.00 C ATOM 411 CG1 ILE A 28 -18.746 -24.156 -10.392 1.00 0.00 C ATOM 412 CG2 ILE A 28 -21.167 -23.766 -9.862 1.00 0.00 C ATOM 413 CD1 ILE A 28 -17.587 -23.728 -9.520 1.00 0.00 C ATOM 0 H ILE A 28 -18.308 -21.619 -11.702 1.00 0.00 H new ATOM 0 HA ILE A 28 -20.355 -23.497 -12.500 1.00 0.00 H new ATOM 0 HB ILE A 28 -19.623 -22.297 -9.796 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -19.124 -25.114 -10.035 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -18.386 -24.314 -11.409 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -20.985 -24.116 -8.846 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -21.961 -23.019 -9.852 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -21.468 -24.607 -10.487 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -16.810 -24.492 -9.547 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -17.183 -22.786 -9.889 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -17.932 -23.598 -8.494 1.00 0.00 H new ATOM 425 N ALA A 29 -21.118 -20.514 -11.258 1.00 0.00 N ATOM 426 CA ALA A 29 -22.168 -19.504 -11.194 1.00 0.00 C ATOM 427 C ALA A 29 -22.745 -19.225 -12.578 1.00 0.00 C ATOM 428 O ALA A 29 -23.934 -19.430 -12.818 1.00 0.00 O ATOM 429 CB ALA A 29 -21.629 -18.222 -10.577 1.00 0.00 C ATOM 0 H ALA A 29 -20.245 -20.244 -10.806 1.00 0.00 H new ATOM 0 HA ALA A 29 -22.971 -19.888 -10.565 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -22.423 -17.476 -10.535 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -21.270 -18.427 -9.568 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -20.807 -17.843 -11.185 1.00 0.00 H new ATOM 435 N PHE A 30 -21.895 -18.755 -13.485 1.00 0.00 N ATOM 436 CA PHE A 30 -22.321 -18.446 -14.845 1.00 0.00 C ATOM 437 C PHE A 30 -23.205 -19.558 -15.403 1.00 0.00 C ATOM 438 O PHE A 30 -24.354 -19.323 -15.777 1.00 0.00 O ATOM 439 CB PHE A 30 -21.105 -18.243 -15.750 1.00 0.00 C ATOM 440 CG PHE A 30 -21.415 -17.495 -17.015 1.00 0.00 C ATOM 441 CD1 PHE A 30 -21.642 -16.128 -16.989 1.00 0.00 C ATOM 442 CD2 PHE A 30 -21.482 -18.158 -18.229 1.00 0.00 C ATOM 443 CE1 PHE A 30 -21.928 -15.436 -18.150 1.00 0.00 C ATOM 444 CE2 PHE A 30 -21.769 -17.472 -19.394 1.00 0.00 C ATOM 445 CZ PHE A 30 -21.992 -16.109 -19.354 1.00 0.00 C ATOM 0 H PHE A 30 -20.907 -18.580 -13.303 1.00 0.00 H new ATOM 0 HA PHE A 30 -22.901 -17.524 -14.817 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -20.337 -17.702 -15.197 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -20.687 -19.216 -16.007 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -21.595 -15.597 -16.050 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -21.308 -19.223 -18.266 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -22.101 -14.371 -18.116 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -21.819 -18.001 -20.334 1.00 0.00 H new ATOM 0 HZ PHE A 30 -22.216 -15.571 -20.263 1.00 0.00 H new ATOM 455 N LYS A 31 -22.660 -20.767 -15.456 1.00 0.00 N ATOM 456 CA LYS A 31 -23.397 -21.917 -15.968 1.00 0.00 C ATOM 457 C LYS A 31 -24.725 -22.080 -15.238 1.00 0.00 C ATOM 458 O LYS A 31 -25.737 -22.436 -15.841 1.00 0.00 O ATOM 459 CB LYS A 31 -22.562 -23.191 -15.821 1.00 0.00 C ATOM 460 CG LYS A 31 -22.377 -23.951 -17.122 1.00 0.00 C ATOM 461 CD LYS A 31 -22.287 -25.449 -16.886 1.00 0.00 C ATOM 462 CE LYS A 31 -23.662 -26.061 -16.661 1.00 0.00 C ATOM 463 NZ LYS A 31 -24.201 -26.687 -17.899 1.00 0.00 N1+ ATOM 0 H LYS A 31 -21.710 -20.977 -15.151 1.00 0.00 H new ATOM 0 HA LYS A 31 -23.602 -21.745 -17.025 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -21.583 -22.929 -15.421 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -23.039 -23.846 -15.092 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -23.211 -23.737 -17.791 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -21.471 -23.605 -17.620 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -21.811 -25.926 -17.743 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -21.654 -25.645 -16.020 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -23.601 -26.811 -15.872 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -24.350 -25.290 -16.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -25.139 -27.092 -17.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -24.284 -25.967 -18.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -23.558 -27.440 -18.215 1.00 0.00 H new ATOM 477 N ARG A 32 -24.716 -21.817 -13.934 1.00 0.00 N ATOM 478 CA ARG A 32 -25.920 -21.935 -13.122 1.00 0.00 C ATOM 479 C ARG A 32 -27.022 -21.019 -13.646 1.00 0.00 C ATOM 480 O ARG A 32 -28.208 -21.281 -13.447 1.00 0.00 O ATOM 481 CB ARG A 32 -25.612 -21.595 -11.662 1.00 0.00 C ATOM 482 CG ARG A 32 -26.129 -22.628 -10.675 1.00 0.00 C ATOM 483 CD ARG A 32 -26.586 -21.978 -9.378 1.00 0.00 C ATOM 484 NE ARG A 32 -27.483 -22.845 -8.617 1.00 0.00 N ATOM 485 CZ ARG A 32 -27.084 -23.944 -7.988 1.00 0.00 C ATOM 486 NH1 ARG A 32 -25.810 -24.310 -8.028 1.00 0.00 N1+ ATOM 487 NH2 ARG A 32 -27.960 -24.681 -7.317 1.00 0.00 N ATOM 0 H ARG A 32 -23.887 -21.521 -13.418 1.00 0.00 H new ATOM 0 HA ARG A 32 -26.268 -22.966 -13.183 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -24.533 -21.496 -11.540 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -26.050 -20.626 -11.423 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -26.959 -23.176 -11.121 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -25.345 -23.355 -10.463 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -25.716 -21.733 -8.769 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -27.093 -21.039 -9.602 1.00 0.00 H new ATOM 0 HE ARG A 32 -28.470 -22.592 -8.566 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -25.133 -23.747 -8.543 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -25.507 -25.155 -7.544 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -28.941 -24.403 -7.284 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -27.652 -25.525 -6.834 1.00 0.00 H new ATOM 808 N PRO B 111 -7.670 -14.456 9.005 1.00 0.00 N ATOM 809 CA PRO B 111 -8.193 -15.232 7.876 1.00 0.00 C ATOM 810 C PRO B 111 -9.390 -14.558 7.214 1.00 0.00 C ATOM 811 O PRO B 111 -9.460 -14.457 5.989 1.00 0.00 O ATOM 812 CB PRO B 111 -8.612 -16.557 8.518 1.00 0.00 C ATOM 813 CG PRO B 111 -8.888 -16.216 9.942 1.00 0.00 C ATOM 814 CD PRO B 111 -7.929 -15.113 10.297 1.00 0.00 C ATOM 0 HA PRO B 111 -7.455 -15.343 7.082 1.00 0.00 H new ATOM 0 HB2 PRO B 111 -9.495 -16.971 8.032 1.00 0.00 H new ATOM 0 HB3 PRO B 111 -7.823 -17.304 8.435 1.00 0.00 H new ATOM 0 HG2 PRO B 111 -9.921 -15.892 10.073 1.00 0.00 H new ATOM 0 HG3 PRO B 111 -8.742 -17.083 10.586 1.00 0.00 H new ATOM 0 HD2 PRO B 111 -8.362 -14.421 11.020 1.00 0.00 H new ATOM 0 HD3 PRO B 111 -7.013 -15.504 10.740 1.00 0.00 H new ATOM 822 N VAL B 112 -10.331 -14.099 8.032 1.00 0.00 N ATOM 823 CA VAL B 112 -11.525 -13.432 7.526 1.00 0.00 C ATOM 824 C VAL B 112 -11.162 -12.319 6.550 1.00 0.00 C ATOM 825 O VAL B 112 -11.932 -11.997 5.645 1.00 0.00 O ATOM 826 CB VAL B 112 -12.366 -12.840 8.673 1.00 0.00 C ATOM 827 CG1 VAL B 112 -11.735 -11.557 9.191 1.00 0.00 C ATOM 828 CG2 VAL B 112 -13.795 -12.594 8.214 1.00 0.00 C ATOM 0 H VAL B 112 -10.290 -14.177 9.048 1.00 0.00 H new ATOM 0 HA VAL B 112 -12.113 -14.188 7.007 1.00 0.00 H new ATOM 0 HB VAL B 112 -12.391 -13.560 9.491 1.00 0.00 H new ATOM 0 HG11 VAL B 112 -12.343 -11.154 10.001 1.00 0.00 H new ATOM 0 HG12 VAL B 112 -10.732 -11.769 9.561 1.00 0.00 H new ATOM 0 HG13 VAL B 112 -11.677 -10.828 8.383 1.00 0.00 H new ATOM 0 HG21 VAL B 112 -14.375 -12.176 9.037 1.00 0.00 H new ATOM 0 HG22 VAL B 112 -13.793 -11.894 7.379 1.00 0.00 H new ATOM 0 HG23 VAL B 112 -14.243 -13.536 7.897 1.00 0.00 H new ATOM 838 N TYR B 113 -9.984 -11.736 6.740 1.00 0.00 N ATOM 839 CA TYR B 113 -9.517 -10.657 5.876 1.00 0.00 C ATOM 840 C TYR B 113 -9.341 -11.146 4.441 1.00 0.00 C ATOM 841 O TYR B 113 -9.825 -10.522 3.496 1.00 0.00 O ATOM 842 CB TYR B 113 -8.196 -10.091 6.399 1.00 0.00 C ATOM 843 CG TYR B 113 -8.337 -8.740 7.063 1.00 0.00 C ATOM 844 CD1 TYR B 113 -9.390 -8.477 7.930 1.00 0.00 C ATOM 845 CD2 TYR B 113 -7.415 -7.728 6.824 1.00 0.00 C ATOM 846 CE1 TYR B 113 -9.523 -7.243 8.538 1.00 0.00 C ATOM 847 CE2 TYR B 113 -7.539 -6.491 7.429 1.00 0.00 C ATOM 848 CZ TYR B 113 -8.594 -6.255 8.284 1.00 0.00 C ATOM 849 OH TYR B 113 -8.722 -5.025 8.889 1.00 0.00 O ATOM 0 H TYR B 113 -9.335 -11.992 7.484 1.00 0.00 H new ATOM 0 HA TYR B 113 -10.270 -9.869 5.883 1.00 0.00 H new ATOM 0 HB2 TYR B 113 -7.766 -10.794 7.112 1.00 0.00 H new ATOM 0 HB3 TYR B 113 -7.493 -10.008 5.570 1.00 0.00 H new ATOM 0 HD1 TYR B 113 -10.117 -9.250 8.132 1.00 0.00 H new ATOM 0 HD2 TYR B 113 -6.588 -7.911 6.154 1.00 0.00 H new ATOM 0 HE1 TYR B 113 -10.349 -7.053 9.208 1.00 0.00 H new ATOM 0 HE2 TYR B 113 -6.814 -5.715 7.233 1.00 0.00 H new ATOM 0 HH TYR B 113 -7.986 -4.443 8.606 1.00 0.00 H new ATOM 859 N CYS B 114 -8.647 -12.268 4.286 1.00 0.00 N ATOM 860 CA CYS B 114 -8.406 -12.843 2.969 1.00 0.00 C ATOM 861 C CYS B 114 -9.710 -13.322 2.338 1.00 0.00 C ATOM 862 O CYS B 114 -9.870 -13.290 1.118 1.00 0.00 O ATOM 863 CB CYS B 114 -7.418 -14.008 3.069 1.00 0.00 C ATOM 864 SG CYS B 114 -5.808 -13.688 2.280 1.00 0.00 S ATOM 0 H CYS B 114 -8.241 -12.798 5.058 1.00 0.00 H new ATOM 0 HA CYS B 114 -7.978 -12.066 2.335 1.00 0.00 H new ATOM 0 HB2 CYS B 114 -7.255 -14.243 4.121 1.00 0.00 H new ATOM 0 HB3 CYS B 114 -7.866 -14.890 2.611 1.00 0.00 H new ATOM 869 N SER B 115 -10.641 -13.764 3.179 1.00 0.00 N ATOM 870 CA SER B 115 -11.931 -14.252 2.703 1.00 0.00 C ATOM 871 C SER B 115 -12.807 -13.097 2.230 1.00 0.00 C ATOM 872 O SER B 115 -13.366 -13.137 1.133 1.00 0.00 O ATOM 873 CB SER B 115 -12.644 -15.029 3.811 1.00 0.00 C ATOM 874 OG SER B 115 -12.166 -16.361 3.890 1.00 0.00 O ATOM 0 H SER B 115 -10.526 -13.794 4.192 1.00 0.00 H new ATOM 0 HA SER B 115 -11.753 -14.918 1.859 1.00 0.00 H new ATOM 0 HB2 SER B 115 -12.492 -14.528 4.767 1.00 0.00 H new ATOM 0 HB3 SER B 115 -13.717 -15.035 3.622 1.00 0.00 H new ATOM 0 HG SER B 115 -12.637 -16.835 4.607 1.00 0.00 H new ATOM 880 N ILE B 116 -12.923 -12.070 3.063 1.00 0.00 N ATOM 881 CA ILE B 116 -13.730 -10.903 2.731 1.00 0.00 C ATOM 882 C ILE B 116 -13.189 -10.194 1.494 1.00 0.00 C ATOM 883 O ILE B 116 -13.950 -9.642 0.698 1.00 0.00 O ATOM 884 CB ILE B 116 -13.783 -9.902 3.900 1.00 0.00 C ATOM 885 CG1 ILE B 116 -14.411 -10.557 5.132 1.00 0.00 C ATOM 886 CG2 ILE B 116 -14.563 -8.659 3.499 1.00 0.00 C ATOM 887 CD1 ILE B 116 -13.976 -9.930 6.438 1.00 0.00 C ATOM 0 H ILE B 116 -12.468 -12.022 3.974 1.00 0.00 H new ATOM 0 HA ILE B 116 -14.738 -11.265 2.528 1.00 0.00 H new ATOM 0 HB ILE B 116 -12.765 -9.603 4.149 1.00 0.00 H new ATOM 0 HG12 ILE B 116 -15.496 -10.495 5.053 1.00 0.00 H new ATOM 0 HG13 ILE B 116 -14.152 -11.616 5.142 1.00 0.00 H new ATOM 0 HG21 ILE B 116 -14.591 -7.961 4.336 1.00 0.00 H new ATOM 0 HG22 ILE B 116 -14.077 -8.184 2.647 1.00 0.00 H new ATOM 0 HG23 ILE B 116 -15.580 -8.940 3.226 1.00 0.00 H new ATOM 0 HD11 ILE B 116 -14.460 -10.445 7.268 1.00 0.00 H new ATOM 0 HD12 ILE B 116 -12.894 -10.015 6.540 1.00 0.00 H new ATOM 0 HD13 ILE B 116 -14.260 -8.878 6.449 1.00 0.00 H new ATOM 899 N LEU B 117 -11.870 -10.214 1.337 1.00 0.00 N ATOM 900 CA LEU B 117 -11.225 -9.576 0.196 1.00 0.00 C ATOM 901 C LEU B 117 -11.578 -10.294 -1.102 1.00 0.00 C ATOM 902 O LEU B 117 -12.130 -9.696 -2.025 1.00 0.00 O ATOM 903 CB LEU B 117 -9.707 -9.558 0.386 1.00 0.00 C ATOM 904 CG LEU B 117 -8.885 -9.101 -0.820 1.00 0.00 C ATOM 905 CD1 LEU B 117 -8.049 -7.881 -0.464 1.00 0.00 C ATOM 906 CD2 LEU B 117 -7.996 -10.231 -1.318 1.00 0.00 C ATOM 0 H LEU B 117 -11.226 -10.666 1.986 1.00 0.00 H new ATOM 0 HA LEU B 117 -11.589 -8.551 0.132 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -9.474 -8.906 1.228 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -9.383 -10.562 0.662 1.00 0.00 H new ATOM 0 HG LEU B 117 -9.572 -8.825 -1.620 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -7.471 -7.570 -1.334 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -8.706 -7.068 -0.155 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -7.371 -8.130 0.352 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -7.418 -9.888 -2.176 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -7.317 -10.537 -0.522 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -8.615 -11.078 -1.612 1.00 0.00 H new ATOM 918 N ALA B 118 -11.257 -11.582 -1.166 1.00 0.00 N ATOM 919 CA ALA B 118 -11.544 -12.385 -2.348 1.00 0.00 C ATOM 920 C ALA B 118 -12.996 -12.220 -2.783 1.00 0.00 C ATOM 921 O ALA B 118 -13.286 -12.089 -3.972 1.00 0.00 O ATOM 922 CB ALA B 118 -11.233 -13.850 -2.080 1.00 0.00 C ATOM 0 H ALA B 118 -10.797 -12.092 -0.412 1.00 0.00 H new ATOM 0 HA ALA B 118 -10.907 -12.034 -3.160 1.00 0.00 H new ATOM 0 HB1 ALA B 118 -11.452 -14.437 -2.972 1.00 0.00 H new ATOM 0 HB2 ALA B 118 -10.179 -13.957 -1.825 1.00 0.00 H new ATOM 0 HB3 ALA B 118 -11.845 -14.206 -1.251 1.00 0.00 H new ATOM 928 N ALA B 119 -13.904 -12.230 -1.814 1.00 0.00 N ATOM 929 CA ALA B 119 -15.326 -12.081 -2.098 1.00 0.00 C ATOM 930 C ALA B 119 -15.609 -10.762 -2.808 1.00 0.00 C ATOM 931 O ALA B 119 -16.160 -10.743 -3.909 1.00 0.00 O ATOM 932 CB ALA B 119 -16.134 -12.173 -0.811 1.00 0.00 C ATOM 0 H ALA B 119 -13.681 -12.340 -0.825 1.00 0.00 H new ATOM 0 HA ALA B 119 -15.625 -12.892 -2.761 1.00 0.00 H new ATOM 0 HB1 ALA B 119 -17.194 -12.060 -1.038 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -15.964 -13.143 -0.343 1.00 0.00 H new ATOM 0 HB3 ALA B 119 -15.823 -11.382 -0.129 1.00 0.00 H new ATOM 938 N VAL B 120 -15.228 -9.658 -2.171 1.00 0.00 N ATOM 939 CA VAL B 120 -15.441 -8.333 -2.743 1.00 0.00 C ATOM 940 C VAL B 120 -14.859 -8.242 -4.149 1.00 0.00 C ATOM 941 O VAL B 120 -15.410 -7.568 -5.018 1.00 0.00 O ATOM 942 CB VAL B 120 -14.810 -7.237 -1.866 1.00 0.00 C ATOM 943 CG1 VAL B 120 -15.114 -5.859 -2.433 1.00 0.00 C ATOM 944 CG2 VAL B 120 -15.302 -7.352 -0.431 1.00 0.00 C ATOM 0 H VAL B 120 -14.771 -9.655 -1.259 1.00 0.00 H new ATOM 0 HA VAL B 120 -16.519 -8.176 -2.789 1.00 0.00 H new ATOM 0 HB VAL B 120 -13.729 -7.374 -1.867 1.00 0.00 H new ATOM 0 HG11 VAL B 120 -14.660 -5.097 -1.800 1.00 0.00 H new ATOM 0 HG12 VAL B 120 -14.707 -5.783 -3.441 1.00 0.00 H new ATOM 0 HG13 VAL B 120 -16.193 -5.709 -2.465 1.00 0.00 H new ATOM 0 HG21 VAL B 120 -14.845 -6.569 0.174 1.00 0.00 H new ATOM 0 HG22 VAL B 120 -16.386 -7.242 -0.408 1.00 0.00 H new ATOM 0 HG23 VAL B 120 -15.028 -8.327 -0.029 1.00 0.00 H new ATOM 954 N VAL B 121 -13.740 -8.927 -4.367 1.00 0.00 N ATOM 955 CA VAL B 121 -13.085 -8.926 -5.669 1.00 0.00 C ATOM 956 C VAL B 121 -13.880 -9.737 -6.686 1.00 0.00 C ATOM 957 O VAL B 121 -14.180 -9.257 -7.779 1.00 0.00 O ATOM 958 CB VAL B 121 -11.657 -9.495 -5.578 1.00 0.00 C ATOM 959 CG1 VAL B 121 -11.002 -9.515 -6.951 1.00 0.00 C ATOM 960 CG2 VAL B 121 -10.823 -8.690 -4.593 1.00 0.00 C ATOM 0 H VAL B 121 -13.269 -9.489 -3.658 1.00 0.00 H new ATOM 0 HA VAL B 121 -13.035 -7.888 -5.997 1.00 0.00 H new ATOM 0 HB VAL B 121 -11.717 -10.521 -5.214 1.00 0.00 H new ATOM 0 HG11 VAL B 121 -9.994 -9.920 -6.867 1.00 0.00 H new ATOM 0 HG12 VAL B 121 -11.589 -10.139 -7.625 1.00 0.00 H new ATOM 0 HG13 VAL B 121 -10.954 -8.500 -7.346 1.00 0.00 H new ATOM 0 HG21 VAL B 121 -9.817 -9.107 -4.542 1.00 0.00 H new ATOM 0 HG22 VAL B 121 -10.770 -7.653 -4.924 1.00 0.00 H new ATOM 0 HG23 VAL B 121 -11.284 -8.733 -3.606 1.00 0.00 H new ATOM 970 N VAL B 122 -14.219 -10.968 -6.317 1.00 0.00 N ATOM 971 CA VAL B 122 -14.980 -11.847 -7.198 1.00 0.00 C ATOM 972 C VAL B 122 -16.232 -11.152 -7.719 1.00 0.00 C ATOM 973 O VAL B 122 -16.417 -11.004 -8.926 1.00 0.00 O ATOM 974 CB VAL B 122 -15.387 -13.146 -6.479 1.00 0.00 C ATOM 975 CG1 VAL B 122 -16.266 -14.002 -7.377 1.00 0.00 C ATOM 976 CG2 VAL B 122 -14.154 -13.918 -6.033 1.00 0.00 C ATOM 0 H VAL B 122 -13.979 -11.379 -5.415 1.00 0.00 H new ATOM 0 HA VAL B 122 -14.330 -12.094 -8.037 1.00 0.00 H new ATOM 0 HB VAL B 122 -15.963 -12.883 -5.592 1.00 0.00 H new ATOM 0 HG11 VAL B 122 -16.543 -14.916 -6.851 1.00 0.00 H new ATOM 0 HG12 VAL B 122 -17.167 -13.447 -7.640 1.00 0.00 H new ATOM 0 HG13 VAL B 122 -15.719 -14.258 -8.285 1.00 0.00 H new ATOM 0 HG21 VAL B 122 -14.461 -14.833 -5.527 1.00 0.00 H new ATOM 0 HG22 VAL B 122 -13.548 -14.171 -6.903 1.00 0.00 H new ATOM 0 HG23 VAL B 122 -13.568 -13.304 -5.349 1.00 0.00 H new ATOM 986 N GLY B 123 -17.093 -10.727 -6.798 1.00 0.00 N ATOM 987 CA GLY B 123 -18.319 -10.053 -7.183 1.00 0.00 C ATOM 988 C GLY B 123 -18.062 -8.812 -8.016 1.00 0.00 C ATOM 989 O GLY B 123 -18.571 -8.687 -9.130 1.00 0.00 O ATOM 0 H GLY B 123 -16.963 -10.838 -5.792 1.00 0.00 H new ATOM 0 HA2 GLY B 123 -18.947 -10.742 -7.748 1.00 0.00 H new ATOM 0 HA3 GLY B 123 -18.875 -9.777 -6.287 1.00 0.00 H new ATOM 993 N LEU B 124 -17.271 -7.893 -7.475 1.00 0.00 N ATOM 994 CA LEU B 124 -16.948 -6.654 -8.175 1.00 0.00 C ATOM 995 C LEU B 124 -16.452 -6.941 -9.589 1.00 0.00 C ATOM 996 O LEU B 124 -17.068 -6.525 -10.570 1.00 0.00 O ATOM 997 CB LEU B 124 -15.888 -5.869 -7.400 1.00 0.00 C ATOM 998 CG LEU B 124 -16.385 -5.098 -6.177 1.00 0.00 C ATOM 999 CD1 LEU B 124 -15.211 -4.567 -5.367 1.00 0.00 C ATOM 1000 CD2 LEU B 124 -17.300 -3.959 -6.600 1.00 0.00 C ATOM 0 H LEU B 124 -16.841 -7.982 -6.554 1.00 0.00 H new ATOM 0 HA LEU B 124 -17.857 -6.056 -8.243 1.00 0.00 H new ATOM 0 HB2 LEU B 124 -15.114 -6.565 -7.076 1.00 0.00 H new ATOM 0 HB3 LEU B 124 -15.416 -5.163 -8.083 1.00 0.00 H new ATOM 0 HG LEU B 124 -16.955 -5.782 -5.548 1.00 0.00 H new ATOM 0 HD11 LEU B 124 -15.584 -4.021 -4.501 1.00 0.00 H new ATOM 0 HD12 LEU B 124 -14.593 -5.400 -5.032 1.00 0.00 H new ATOM 0 HD13 LEU B 124 -14.614 -3.899 -5.987 1.00 0.00 H new ATOM 0 HD21 LEU B 124 -17.644 -3.421 -5.716 1.00 0.00 H new ATOM 0 HD22 LEU B 124 -16.754 -3.276 -7.251 1.00 0.00 H new ATOM 0 HD23 LEU B 124 -18.159 -4.362 -7.137 1.00 0.00 H new