USER MOD reduce.3.24.130724 H: found=0, std=0, add=255, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 255 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 : B 8 LYS NZ :NH3+ 143:sc= 1.23 (180deg=0.262) USER MOD Single : B 10 MET CE :methyl 155:sc= -0.0238 (180deg=-1.05) USER MOD Single : B 11 SER OG : rot 126:sc= 0.607 USER MOD Single : B 13 SER OG : rot 180:sc= 0 USER MOD Single : B 14 SER OG : rot 42:sc= 0.522 USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 TYR OH : rot 96:sc= -0.127 USER MOD Single : B 21 ASN : amide:sc= 0.43 X(o=0.43,f=-0.051) USER MOD Single : B 22 HIS : no HE2:sc= 0.445 K(o=0.45,f=-4.6!) USER MOD Single : B 24 THR OG1 : rot 180:sc= 0 USER MOD Single : B 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 27 SER OG : rot 37:sc= 0.296 USER MOD Single : B 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 186 N LEU B 2 -37.703 13.937 38.463 1.00 0.00 N ATOM 187 CA LEU B 2 -38.801 13.738 39.457 1.00 0.00 C ATOM 188 C LEU B 2 -38.457 13.937 40.991 1.00 0.00 C ATOM 189 O LEU B 2 -37.291 13.758 41.369 1.00 0.00 O ATOM 190 CB LEU B 2 -39.390 12.320 39.170 1.00 0.00 C ATOM 191 CG LEU B 2 -38.517 11.162 39.708 1.00 0.00 C ATOM 192 CD1 LEU B 2 -39.089 10.627 41.015 1.00 0.00 C ATOM 193 CD2 LEU B 2 -38.340 10.018 38.700 1.00 0.00 C ATOM 0 HA LEU B 2 -39.517 14.546 39.309 1.00 0.00 H new ATOM 0 HB2 LEU B 2 -40.382 12.252 39.615 1.00 0.00 H new ATOM 0 HB3 LEU B 2 -39.515 12.199 38.094 1.00 0.00 H new ATOM 0 HG LEU B 2 -37.526 11.580 39.884 1.00 0.00 H new ATOM 0 HD11 LEU B 2 -38.463 9.813 41.380 1.00 0.00 H new ATOM 0 HD12 LEU B 2 -39.113 11.426 41.756 1.00 0.00 H new ATOM 0 HD13 LEU B 2 -40.101 10.259 40.846 1.00 0.00 H new ATOM 0 HD21 LEU B 2 -37.718 9.239 39.140 1.00 0.00 H new ATOM 0 HD22 LEU B 2 -39.315 9.603 38.445 1.00 0.00 H new ATOM 0 HD23 LEU B 2 -37.861 10.399 37.798 1.00 0.00 H new ATOM 205 N PRO B 3 -39.439 14.190 41.897 1.00 0.00 N ATOM 206 CA PRO B 3 -39.161 14.490 43.327 1.00 0.00 C ATOM 207 C PRO B 3 -38.214 13.665 44.293 1.00 0.00 C ATOM 208 O PRO B 3 -37.925 12.488 44.043 1.00 0.00 O ATOM 209 CB PRO B 3 -40.595 14.687 43.885 1.00 0.00 C ATOM 210 CG PRO B 3 -41.591 14.417 42.764 1.00 0.00 C ATOM 211 CD PRO B 3 -40.783 14.677 41.511 1.00 0.00 C ATOM 0 HA PRO B 3 -38.449 15.315 43.316 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -40.773 14.010 44.721 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -40.718 15.701 44.265 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -41.965 13.394 42.796 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -42.457 15.076 42.828 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -41.180 14.137 40.651 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -40.772 15.734 41.246 1.00 0.00 H new ATOM 219 N PRO B 4 -37.706 14.256 45.423 1.00 0.00 N ATOM 220 CA PRO B 4 -36.864 13.536 46.418 1.00 0.00 C ATOM 221 C PRO B 4 -37.676 12.622 47.398 1.00 0.00 C ATOM 222 O PRO B 4 -38.851 12.861 47.693 1.00 0.00 O ATOM 223 CB PRO B 4 -36.154 14.719 47.104 1.00 0.00 C ATOM 224 CG PRO B 4 -37.182 15.853 47.109 1.00 0.00 C ATOM 225 CD PRO B 4 -37.998 15.647 45.832 1.00 0.00 C ATOM 0 HA PRO B 4 -36.184 12.807 45.978 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -35.847 14.461 48.118 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -35.253 15.006 46.562 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -37.816 15.808 47.995 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -36.695 16.828 47.114 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -39.063 15.791 46.014 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -37.708 16.357 45.057 1.00 0.00 H new ATOM 233 N GLY B 5 -37.048 11.527 47.844 1.00 0.00 N ATOM 234 CA GLY B 5 -37.812 10.350 48.356 1.00 0.00 C ATOM 235 C GLY B 5 -38.101 9.220 47.338 1.00 0.00 C ATOM 236 O GLY B 5 -38.121 8.053 47.732 1.00 0.00 O ATOM 0 H GLY B 5 -36.034 11.418 47.867 1.00 0.00 H new ATOM 0 HA2 GLY B 5 -37.260 9.923 49.193 1.00 0.00 H new ATOM 0 HA3 GLY B 5 -38.764 10.706 48.750 1.00 0.00 H new ATOM 240 N TRP B 6 -38.333 9.524 46.050 1.00 0.00 N ATOM 241 CA TRP B 6 -38.657 8.550 45.020 1.00 0.00 C ATOM 242 C TRP B 6 -37.424 7.953 44.294 1.00 0.00 C ATOM 243 O TRP B 6 -36.420 8.655 44.102 1.00 0.00 O ATOM 244 CB TRP B 6 -39.338 9.479 44.001 1.00 0.00 C ATOM 245 CG TRP B 6 -40.760 9.943 44.207 1.00 0.00 C ATOM 246 CD1 TRP B 6 -41.145 11.242 44.556 1.00 0.00 C ATOM 247 CD2 TRP B 6 -41.906 9.259 43.914 1.00 0.00 C ATOM 248 NE1 TRP B 6 -42.533 11.403 44.524 1.00 0.00 N ATOM 249 CE2 TRP B 6 -42.991 10.146 44.142 1.00 0.00 C ATOM 250 CE3 TRP B 6 -42.108 7.986 43.304 1.00 0.00 C ATOM 251 CZ2 TRP B 6 -44.300 9.739 43.836 1.00 0.00 C ATOM 252 CZ3 TRP B 6 -43.434 7.585 43.097 1.00 0.00 C ATOM 253 CH2 TRP B 6 -44.513 8.437 43.377 1.00 0.00 C ATOM 0 H TRP B 6 -38.297 10.481 45.698 1.00 0.00 H new ATOM 0 HA TRP B 6 -39.207 7.700 45.424 1.00 0.00 H new ATOM 0 HB2 TRP B 6 -38.719 10.372 43.918 1.00 0.00 H new ATOM 0 HB3 TRP B 6 -39.302 8.976 43.035 1.00 0.00 H new ATOM 0 HD1 TRP B 6 -40.452 12.027 44.819 1.00 0.00 H new ATOM 0 HE1 TRP B 6 -43.078 12.240 44.731 1.00 0.00 H new ATOM 0 HE3 TRP B 6 -41.277 7.360 43.015 1.00 0.00 H new ATOM 0 HZ2 TRP B 6 -45.129 10.422 43.954 1.00 0.00 H new ATOM 0 HZ3 TRP B 6 -43.631 6.595 42.712 1.00 0.00 H new ATOM 0 HH2 TRP B 6 -45.523 8.081 43.236 1.00 0.00 H new ATOM 264 N GLU B 7 -37.602 6.769 43.674 1.00 0.00 N ATOM 265 CA GLU B 7 -36.989 6.506 42.345 1.00 0.00 C ATOM 266 C GLU B 7 -37.784 5.392 41.559 1.00 0.00 C ATOM 267 O GLU B 7 -39.011 5.452 41.439 1.00 0.00 O ATOM 268 CB GLU B 7 -35.449 6.304 42.569 1.00 0.00 C ATOM 269 CG GLU B 7 -34.483 6.629 41.403 1.00 0.00 C ATOM 270 CD GLU B 7 -34.158 5.508 40.451 1.00 0.00 C ATOM 271 OE1 GLU B 7 -34.063 4.340 40.878 1.00 0.00 O ATOM 272 OE2 GLU B 7 -34.009 5.782 39.248 1.00 0.00 O ATOM 0 H GLU B 7 -38.148 5.996 44.054 1.00 0.00 H new ATOM 0 HA GLU B 7 -37.073 7.347 41.657 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -35.155 6.915 43.423 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -35.289 5.264 42.852 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -34.911 7.449 40.827 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -33.548 6.993 41.829 1.00 0.00 H new ATOM 279 N LYS B 8 -37.089 4.392 41.005 1.00 0.00 N ATOM 280 CA LYS B 8 -37.675 3.222 40.291 1.00 0.00 C ATOM 281 C LYS B 8 -36.933 1.884 40.638 1.00 0.00 C ATOM 282 O LYS B 8 -35.704 1.778 40.581 1.00 0.00 O ATOM 283 CB LYS B 8 -37.913 3.518 38.775 1.00 0.00 C ATOM 284 CG LYS B 8 -36.726 3.950 37.874 1.00 0.00 C ATOM 285 CD LYS B 8 -35.902 2.791 37.256 1.00 0.00 C ATOM 286 CE LYS B 8 -34.492 3.193 36.756 1.00 0.00 C ATOM 287 NZ LYS B 8 -33.658 3.450 37.977 1.00 0.00 N ATOM 0 H LYS B 8 -36.070 4.362 41.035 1.00 0.00 H new ATOM 0 HA LYS B 8 -38.682 3.051 40.672 1.00 0.00 H new ATOM 0 HB2 LYS B 8 -38.345 2.620 38.333 1.00 0.00 H new ATOM 0 HB3 LYS B 8 -38.669 4.300 38.712 1.00 0.00 H new ATOM 0 HG2 LYS B 8 -37.113 4.569 37.065 1.00 0.00 H new ATOM 0 HG3 LYS B 8 -36.055 4.576 38.462 1.00 0.00 H new ATOM 0 HD2 LYS B 8 -35.797 2.001 38.000 1.00 0.00 H new ATOM 0 HD3 LYS B 8 -36.462 2.370 36.421 1.00 0.00 H new ATOM 0 HE2 LYS B 8 -34.056 2.399 36.149 1.00 0.00 H new ATOM 0 HE3 LYS B 8 -34.543 4.083 36.128 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 -32.688 3.115 37.811 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 -33.642 4.470 38.178 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 -34.066 2.943 38.789 1.00 0.00 H new ATOM 301 N ARG B 9 -37.697 0.868 41.078 1.00 0.00 N ATOM 302 CA ARG B 9 -37.165 -0.438 41.553 1.00 0.00 C ATOM 303 C ARG B 9 -37.591 -1.553 40.517 1.00 0.00 C ATOM 304 O ARG B 9 -37.927 -1.271 39.363 1.00 0.00 O ATOM 305 CB ARG B 9 -37.705 -0.631 43.019 1.00 0.00 C ATOM 306 CG ARG B 9 -37.479 0.477 44.087 1.00 0.00 C ATOM 307 CD ARG B 9 -36.085 0.478 44.737 1.00 0.00 C ATOM 308 NE ARG B 9 -35.794 1.830 45.298 1.00 0.00 N ATOM 309 CZ ARG B 9 -35.178 2.811 44.616 1.00 0.00 C ATOM 310 NH1 ARG B 9 -34.770 2.704 43.372 1.00 0.00 N ATOM 311 NH2 ARG B 9 -34.983 3.937 45.215 1.00 0.00 N ATOM 0 H ARG B 9 -38.715 0.924 41.117 1.00 0.00 H new ATOM 0 HA ARG B 9 -36.078 -0.494 41.602 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -38.780 -0.798 42.948 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -37.265 -1.549 43.408 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -37.647 1.448 43.622 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -38.229 0.364 44.870 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -36.041 -0.272 45.527 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -35.329 0.209 44.000 1.00 0.00 H new ATOM 0 HE ARG B 9 -36.080 2.021 46.258 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -34.914 1.833 42.861 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -34.309 3.492 42.917 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -35.293 4.063 46.178 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -34.518 4.702 44.725 1.00 0.00 H new ATOM 325 N MET B 10 -37.609 -2.829 40.912 1.00 0.00 N ATOM 326 CA MET B 10 -38.341 -3.891 40.147 1.00 0.00 C ATOM 327 C MET B 10 -39.874 -3.946 40.505 1.00 0.00 C ATOM 328 O MET B 10 -40.316 -3.336 41.481 1.00 0.00 O ATOM 329 CB MET B 10 -37.552 -5.230 40.244 1.00 0.00 C ATOM 330 CG MET B 10 -37.433 -5.946 41.608 1.00 0.00 C ATOM 331 SD MET B 10 -39.024 -6.624 42.120 1.00 0.00 S ATOM 332 CE MET B 10 -39.408 -5.555 43.513 1.00 0.00 C ATOM 0 H MET B 10 -37.134 -3.169 41.748 1.00 0.00 H new ATOM 0 HA MET B 10 -38.370 -3.643 39.086 1.00 0.00 H new ATOM 0 HB2 MET B 10 -38.011 -5.931 39.546 1.00 0.00 H new ATOM 0 HB3 MET B 10 -36.540 -5.040 39.886 1.00 0.00 H new ATOM 0 HG2 MET B 10 -36.697 -6.747 41.540 1.00 0.00 H new ATOM 0 HG3 MET B 10 -37.073 -5.245 42.361 1.00 0.00 H new ATOM 0 HE1 MET B 10 -40.487 -5.524 43.661 1.00 0.00 H new ATOM 0 HE2 MET B 10 -38.930 -5.943 44.412 1.00 0.00 H new ATOM 0 HE3 MET B 10 -39.040 -4.549 43.312 1.00 0.00 H new ATOM 342 N SER B 11 -40.702 -4.643 39.707 1.00 0.00 N ATOM 343 CA SER B 11 -42.157 -4.819 40.009 1.00 0.00 C ATOM 344 C SER B 11 -42.443 -5.988 41.021 1.00 0.00 C ATOM 345 O SER B 11 -42.568 -5.753 42.222 1.00 0.00 O ATOM 346 CB SER B 11 -42.948 -4.863 38.681 1.00 0.00 C ATOM 347 OG SER B 11 -44.352 -4.785 38.932 1.00 0.00 O ATOM 0 H SER B 11 -40.401 -5.098 38.845 1.00 0.00 H new ATOM 0 HA SER B 11 -42.526 -3.954 40.560 1.00 0.00 H new ATOM 0 HB2 SER B 11 -42.641 -4.036 38.040 1.00 0.00 H new ATOM 0 HB3 SER B 11 -42.719 -5.784 38.145 1.00 0.00 H new ATOM 0 HG SER B 11 -44.737 -4.048 38.413 1.00 0.00 H new ATOM 353 N ARG B 12 -42.531 -7.245 40.560 1.00 0.00 N ATOM 354 CA ARG B 12 -42.428 -8.452 41.423 1.00 0.00 C ATOM 355 C ARG B 12 -41.072 -9.236 41.327 1.00 0.00 C ATOM 356 O ARG B 12 -40.645 -9.834 42.316 1.00 0.00 O ATOM 357 CB ARG B 12 -43.663 -9.245 40.937 1.00 0.00 C ATOM 358 CG ARG B 12 -43.906 -10.656 41.477 1.00 0.00 C ATOM 359 CD ARG B 12 -43.359 -11.803 40.588 1.00 0.00 C ATOM 360 NE ARG B 12 -44.322 -12.130 39.495 1.00 0.00 N ATOM 361 CZ ARG B 12 -44.233 -11.805 38.219 1.00 0.00 C ATOM 362 NH1 ARG B 12 -43.318 -11.042 37.714 1.00 0.00 N ATOM 363 NH2 ARG B 12 -45.215 -12.137 37.452 1.00 0.00 N ATOM 0 H ARG B 12 -42.676 -7.464 39.574 1.00 0.00 H new ATOM 0 HA ARG B 12 -42.424 -8.228 42.490 1.00 0.00 H new ATOM 0 HB2 ARG B 12 -44.546 -8.649 41.167 1.00 0.00 H new ATOM 0 HB3 ARG B 12 -43.600 -9.316 39.851 1.00 0.00 H new ATOM 0 HG2 ARG B 12 -43.451 -10.734 42.464 1.00 0.00 H new ATOM 0 HG3 ARG B 12 -44.979 -10.799 41.608 1.00 0.00 H new ATOM 0 HD2 ARG B 12 -42.400 -11.512 40.159 1.00 0.00 H new ATOM 0 HD3 ARG B 12 -43.180 -12.688 41.198 1.00 0.00 H new ATOM 0 HE ARG B 12 -45.145 -12.668 39.766 1.00 0.00 H new ATOM 0 HH11 ARG B 12 -42.596 -10.645 38.315 1.00 0.00 H new ATOM 0 HH12 ARG B 12 -43.318 -10.838 36.715 1.00 0.00 H new ATOM 0 HH21 ARG B 12 -46.019 -12.631 37.838 1.00 0.00 H new ATOM 0 HH22 ARG B 12 -45.187 -11.905 36.459 1.00 0.00 H new ATOM 377 N SER B 13 -40.425 -9.289 40.148 1.00 0.00 N ATOM 378 CA SER B 13 -39.045 -9.835 39.992 1.00 0.00 C ATOM 379 C SER B 13 -38.228 -8.995 38.944 1.00 0.00 C ATOM 380 O SER B 13 -38.760 -8.108 38.262 1.00 0.00 O ATOM 381 CB SER B 13 -39.153 -11.348 39.659 1.00 0.00 C ATOM 382 OG SER B 13 -37.862 -11.960 39.687 1.00 0.00 O ATOM 0 H SER B 13 -40.834 -8.958 39.274 1.00 0.00 H new ATOM 0 HA SER B 13 -38.478 -9.747 40.919 1.00 0.00 H new ATOM 0 HB2 SER B 13 -39.810 -11.838 40.377 1.00 0.00 H new ATOM 0 HB3 SER B 13 -39.603 -11.479 38.675 1.00 0.00 H new ATOM 0 HG SER B 13 -37.947 -12.913 39.477 1.00 0.00 H new ATOM 388 N SER B 14 -36.919 -9.273 38.827 1.00 0.00 N ATOM 389 CA SER B 14 -35.989 -8.557 37.906 1.00 0.00 C ATOM 390 C SER B 14 -36.304 -8.757 36.381 1.00 0.00 C ATOM 391 O SER B 14 -35.878 -9.726 35.745 1.00 0.00 O ATOM 392 CB SER B 14 -34.548 -8.993 38.274 1.00 0.00 C ATOM 393 OG SER B 14 -34.308 -10.368 37.956 1.00 0.00 O ATOM 0 H SER B 14 -36.462 -10.006 39.369 1.00 0.00 H new ATOM 0 HA SER B 14 -36.117 -7.484 38.047 1.00 0.00 H new ATOM 0 HB2 SER B 14 -33.832 -8.367 37.741 1.00 0.00 H new ATOM 0 HB3 SER B 14 -34.381 -8.832 39.339 1.00 0.00 H new ATOM 0 HG SER B 14 -34.704 -10.576 37.084 1.00 0.00 H new ATOM 399 N GLY B 15 -37.103 -7.839 35.828 1.00 0.00 N ATOM 400 CA GLY B 15 -37.741 -8.034 34.495 1.00 0.00 C ATOM 401 C GLY B 15 -38.866 -7.032 34.145 1.00 0.00 C ATOM 402 O GLY B 15 -38.964 -6.585 32.999 1.00 0.00 O ATOM 0 H GLY B 15 -37.332 -6.950 36.272 1.00 0.00 H new ATOM 0 HA2 GLY B 15 -36.969 -7.969 33.729 1.00 0.00 H new ATOM 0 HA3 GLY B 15 -38.150 -9.043 34.451 1.00 0.00 H new ATOM 406 N ARG B 16 -39.759 -6.710 35.095 1.00 0.00 N ATOM 407 CA ARG B 16 -40.571 -5.458 35.048 1.00 0.00 C ATOM 408 C ARG B 16 -40.181 -4.462 36.201 1.00 0.00 C ATOM 409 O ARG B 16 -39.385 -4.758 37.095 1.00 0.00 O ATOM 410 CB ARG B 16 -42.085 -5.844 35.001 1.00 0.00 C ATOM 411 CG ARG B 16 -42.637 -6.189 33.594 1.00 0.00 C ATOM 412 CD ARG B 16 -42.359 -7.644 33.168 1.00 0.00 C ATOM 413 NE ARG B 16 -42.769 -7.876 31.754 1.00 0.00 N ATOM 414 CZ ARG B 16 -41.983 -7.735 30.687 1.00 0.00 C ATOM 415 NH1 ARG B 16 -40.750 -7.310 30.736 1.00 0.00 N ATOM 416 NH2 ARG B 16 -42.474 -8.034 29.526 1.00 0.00 N ATOM 0 H ARG B 16 -39.945 -7.293 35.911 1.00 0.00 H new ATOM 0 HA ARG B 16 -40.352 -4.898 34.139 1.00 0.00 H new ATOM 0 HB2 ARG B 16 -42.245 -6.700 35.656 1.00 0.00 H new ATOM 0 HB3 ARG B 16 -42.667 -5.017 35.409 1.00 0.00 H new ATOM 0 HG2 ARG B 16 -43.713 -6.013 33.581 1.00 0.00 H new ATOM 0 HG3 ARG B 16 -42.195 -5.513 32.862 1.00 0.00 H new ATOM 0 HD2 ARG B 16 -41.298 -7.863 33.283 1.00 0.00 H new ATOM 0 HD3 ARG B 16 -42.899 -8.328 33.823 1.00 0.00 H new ATOM 0 HE ARG B 16 -43.732 -8.167 31.589 1.00 0.00 H new ATOM 0 HH11 ARG B 16 -40.331 -7.062 31.632 1.00 0.00 H new ATOM 0 HH12 ARG B 16 -40.205 -7.226 29.878 1.00 0.00 H new ATOM 0 HH21 ARG B 16 -43.435 -8.366 29.449 1.00 0.00 H new ATOM 0 HH22 ARG B 16 -41.899 -7.937 28.689 1.00 0.00 H new ATOM 430 N VAL B 17 -40.746 -3.252 36.136 1.00 0.00 N ATOM 431 CA VAL B 17 -40.369 -2.068 36.976 1.00 0.00 C ATOM 432 C VAL B 17 -41.617 -1.505 37.733 1.00 0.00 C ATOM 433 O VAL B 17 -42.703 -1.402 37.156 1.00 0.00 O ATOM 434 CB VAL B 17 -39.680 -0.994 36.051 1.00 0.00 C ATOM 435 CG1 VAL B 17 -40.480 -0.601 34.784 1.00 0.00 C ATOM 436 CG2 VAL B 17 -39.285 0.334 36.742 1.00 0.00 C ATOM 0 H VAL B 17 -41.502 -3.044 35.484 1.00 0.00 H new ATOM 0 HA VAL B 17 -39.657 -2.361 37.748 1.00 0.00 H new ATOM 0 HB VAL B 17 -38.782 -1.547 35.774 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -39.920 0.143 34.216 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -40.640 -1.485 34.166 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -41.444 -0.184 35.077 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -38.820 0.999 36.014 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -40.176 0.810 37.151 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -38.581 0.129 37.548 1.00 0.00 H new ATOM 446 N TYR B 18 -41.459 -1.050 38.987 1.00 0.00 N ATOM 447 CA TYR B 18 -42.351 0.012 39.544 1.00 0.00 C ATOM 448 C TYR B 18 -41.554 1.313 39.897 1.00 0.00 C ATOM 449 O TYR B 18 -40.319 1.344 39.942 1.00 0.00 O ATOM 450 CB TYR B 18 -43.282 -0.561 40.655 1.00 0.00 C ATOM 451 CG TYR B 18 -42.702 -1.127 41.969 1.00 0.00 C ATOM 452 CD1 TYR B 18 -41.759 -0.436 42.738 1.00 0.00 C ATOM 453 CD2 TYR B 18 -43.220 -2.328 42.460 1.00 0.00 C ATOM 454 CE1 TYR B 18 -41.318 -0.957 43.952 1.00 0.00 C ATOM 455 CE2 TYR B 18 -42.767 -2.856 43.666 1.00 0.00 C ATOM 456 CZ TYR B 18 -41.823 -2.166 44.416 1.00 0.00 C ATOM 457 OH TYR B 18 -41.406 -2.672 45.617 1.00 0.00 O ATOM 0 H TYR B 18 -40.742 -1.384 39.632 1.00 0.00 H new ATOM 0 HA TYR B 18 -43.044 0.349 38.773 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -43.977 0.233 40.929 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -43.871 -1.356 40.198 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -41.370 0.509 42.387 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -43.979 -2.852 41.899 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -40.583 -0.421 44.534 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -43.150 -3.802 44.019 1.00 0.00 H new ATOM 0 HH TYR B 18 -41.860 -3.523 45.789 1.00 0.00 H new ATOM 467 N TYR B 19 -42.278 2.409 40.146 1.00 0.00 N ATOM 468 CA TYR B 19 -41.704 3.703 40.610 1.00 0.00 C ATOM 469 C TYR B 19 -42.212 4.003 42.058 1.00 0.00 C ATOM 470 O TYR B 19 -43.413 3.968 42.347 1.00 0.00 O ATOM 471 CB TYR B 19 -41.862 4.750 39.471 1.00 0.00 C ATOM 472 CG TYR B 19 -42.589 6.051 39.710 1.00 0.00 C ATOM 473 CD1 TYR B 19 -43.979 6.053 39.581 1.00 0.00 C ATOM 474 CD2 TYR B 19 -41.910 7.249 39.947 1.00 0.00 C ATOM 475 CE1 TYR B 19 -44.681 7.237 39.709 1.00 0.00 C ATOM 476 CE2 TYR B 19 -42.639 8.420 40.137 1.00 0.00 C ATOM 477 CZ TYR B 19 -44.031 8.397 40.042 1.00 0.00 C ATOM 478 OH TYR B 19 -44.828 9.458 40.339 1.00 0.00 O ATOM 0 H TYR B 19 -43.291 2.436 40.034 1.00 0.00 H new ATOM 0 HA TYR B 19 -40.625 3.708 40.767 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -40.859 5.003 39.127 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -42.366 4.249 38.644 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -44.505 5.131 39.382 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -40.831 7.267 39.982 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -45.749 7.248 39.546 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -42.128 9.345 40.358 1.00 0.00 H new ATOM 0 HH TYR B 19 -44.944 9.518 41.310 1.00 0.00 H new ATOM 488 N PHE B 20 -41.263 4.177 42.986 1.00 0.00 N ATOM 489 CA PHE B 20 -41.496 3.943 44.433 1.00 0.00 C ATOM 490 C PHE B 20 -41.126 5.184 45.285 1.00 0.00 C ATOM 491 O PHE B 20 -39.947 5.549 45.349 1.00 0.00 O ATOM 492 CB PHE B 20 -40.634 2.706 44.822 1.00 0.00 C ATOM 493 CG PHE B 20 -40.864 2.170 46.246 1.00 0.00 C ATOM 494 CD1 PHE B 20 -41.988 1.411 46.530 1.00 0.00 C ATOM 495 CD2 PHE B 20 -39.978 2.477 47.266 1.00 0.00 C ATOM 496 CE1 PHE B 20 -42.215 0.934 47.814 1.00 0.00 C ATOM 497 CE2 PHE B 20 -40.199 2.010 48.557 1.00 0.00 C ATOM 498 CZ PHE B 20 -41.309 1.187 48.875 1.00 0.00 C ATOM 0 H PHE B 20 -40.315 4.482 42.766 1.00 0.00 H new ATOM 0 HA PHE B 20 -42.553 3.761 44.628 1.00 0.00 H new ATOM 0 HB2 PHE B 20 -40.836 1.904 44.112 1.00 0.00 H new ATOM 0 HB3 PHE B 20 -39.581 2.968 44.715 1.00 0.00 H new ATOM 0 HD1 PHE B 20 -42.695 1.188 45.744 1.00 0.00 H new ATOM 0 HD2 PHE B 20 -39.109 3.084 47.057 1.00 0.00 H new ATOM 0 HE1 PHE B 20 -43.105 0.355 48.010 1.00 0.00 H new ATOM 0 HE2 PHE B 20 -39.506 2.282 49.339 1.00 0.00 H new ATOM 0 HZ PHE B 20 -41.455 0.778 49.864 1.00 0.00 H new ATOM 508 N ASN B 21 -42.092 5.746 46.025 1.00 0.00 N ATOM 509 CA ASN B 21 -41.789 6.670 47.150 1.00 0.00 C ATOM 510 C ASN B 21 -41.244 5.860 48.372 1.00 0.00 C ATOM 511 O ASN B 21 -41.955 5.012 48.917 1.00 0.00 O ATOM 512 CB ASN B 21 -43.072 7.471 47.546 1.00 0.00 C ATOM 513 CG ASN B 21 -42.937 8.980 47.770 1.00 0.00 C ATOM 514 OD1 ASN B 21 -43.723 9.772 47.272 1.00 0.00 O ATOM 515 ND2 ASN B 21 -42.010 9.461 48.554 1.00 0.00 N ATOM 0 H ASN B 21 -43.088 5.584 45.874 1.00 0.00 H new ATOM 0 HA ASN B 21 -41.024 7.380 46.835 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -43.817 7.315 46.766 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -43.471 7.032 48.461 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -41.962 10.464 48.731 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -41.334 8.833 48.990 1.00 0.00 H new ATOM 522 N HIS B 22 -40.035 6.164 48.868 1.00 0.00 N ATOM 523 CA HIS B 22 -39.683 5.865 50.285 1.00 0.00 C ATOM 524 C HIS B 22 -40.411 6.897 51.220 1.00 0.00 C ATOM 525 O HIS B 22 -41.067 7.836 50.750 1.00 0.00 O ATOM 526 CB HIS B 22 -38.130 5.890 50.410 1.00 0.00 C ATOM 527 CG HIS B 22 -37.394 4.745 49.714 1.00 0.00 C ATOM 528 ND1 HIS B 22 -37.041 3.569 50.337 1.00 0.00 N ATOM 529 CD2 HIS B 22 -36.991 4.711 48.368 1.00 0.00 C ATOM 530 CE1 HIS B 22 -36.451 2.906 49.297 1.00 0.00 C ATOM 531 NE2 HIS B 22 -36.366 3.504 48.060 1.00 0.00 N ATOM 0 H HIS B 22 -39.291 6.608 48.330 1.00 0.00 H new ATOM 0 HA HIS B 22 -40.019 4.876 50.597 1.00 0.00 H new ATOM 0 HB2 HIS B 22 -37.766 6.833 50.003 1.00 0.00 H new ATOM 0 HB3 HIS B 22 -37.868 5.877 51.468 1.00 0.00 H new ATOM 0 HD1 HIS B 22 -37.181 3.275 51.304 1.00 0.00 H new ATOM 0 HD2 HIS B 22 -37.146 5.515 47.664 1.00 0.00 H new ATOM 0 HE1 HIS B 22 -36.052 1.914 49.446 1.00 0.00 H new ATOM 539 N ILE B 23 -40.317 6.763 52.551 1.00 0.00 N ATOM 540 CA ILE B 23 -40.893 7.767 53.518 1.00 0.00 C ATOM 541 C ILE B 23 -42.462 7.667 53.655 1.00 0.00 C ATOM 542 O ILE B 23 -42.972 7.364 54.733 1.00 0.00 O ATOM 543 CB ILE B 23 -40.325 9.244 53.395 1.00 0.00 C ATOM 544 CG1 ILE B 23 -38.916 9.361 52.720 1.00 0.00 C ATOM 545 CG2 ILE B 23 -40.376 9.948 54.776 1.00 0.00 C ATOM 546 CD1 ILE B 23 -38.218 10.720 52.707 1.00 0.00 C ATOM 0 H ILE B 23 -39.851 5.976 53.003 1.00 0.00 H new ATOM 0 HA ILE B 23 -40.503 7.458 54.488 1.00 0.00 H new ATOM 0 HB ILE B 23 -40.984 9.764 52.700 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -38.252 8.653 53.217 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -39.017 9.032 51.686 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -39.984 10.961 54.683 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -41.408 9.988 55.126 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -39.772 9.390 55.491 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -37.255 10.630 52.204 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -38.838 11.443 52.177 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -38.062 11.059 53.731 1.00 0.00 H new ATOM 558 N THR B 24 -43.217 7.856 52.555 1.00 0.00 N ATOM 559 CA THR B 24 -44.588 7.272 52.398 1.00 0.00 C ATOM 560 C THR B 24 -44.633 5.700 52.287 1.00 0.00 C ATOM 561 O THR B 24 -45.497 5.076 52.903 1.00 0.00 O ATOM 562 CB THR B 24 -45.215 7.992 51.161 1.00 0.00 C ATOM 563 OG1 THR B 24 -45.392 9.377 51.438 1.00 0.00 O ATOM 564 CG2 THR B 24 -46.587 7.479 50.715 1.00 0.00 C ATOM 0 H THR B 24 -42.911 8.408 51.754 1.00 0.00 H new ATOM 0 HA THR B 24 -45.168 7.447 53.304 1.00 0.00 H new ATOM 0 HB THR B 24 -44.503 7.788 50.361 1.00 0.00 H new ATOM 0 HG1 THR B 24 -45.784 9.819 50.656 1.00 0.00 H new ATOM 0 HG21 THR B 24 -46.925 8.050 49.850 1.00 0.00 H new ATOM 0 HG22 THR B 24 -46.512 6.425 50.447 1.00 0.00 H new ATOM 0 HG23 THR B 24 -47.302 7.596 51.530 1.00 0.00 H new ATOM 572 N ASN B 25 -43.745 5.080 51.480 1.00 0.00 N ATOM 573 CA ASN B 25 -43.731 3.610 51.178 1.00 0.00 C ATOM 574 C ASN B 25 -44.868 3.171 50.181 1.00 0.00 C ATOM 575 O ASN B 25 -45.806 2.464 50.562 1.00 0.00 O ATOM 576 CB ASN B 25 -43.586 2.763 52.482 1.00 0.00 C ATOM 577 CG ASN B 25 -43.077 1.337 52.302 1.00 0.00 C ATOM 578 OD1 ASN B 25 -41.895 1.049 52.432 1.00 0.00 O ATOM 579 ND2 ASN B 25 -43.936 0.399 52.000 1.00 0.00 N ATOM 0 H ASN B 25 -42.998 5.587 51.005 1.00 0.00 H new ATOM 0 HA ASN B 25 -42.829 3.386 50.609 1.00 0.00 H new ATOM 0 HB2 ASN B 25 -42.909 3.286 53.158 1.00 0.00 H new ATOM 0 HB3 ASN B 25 -44.558 2.721 52.974 1.00 0.00 H new ATOM 0 HD21 ASN B 25 -43.619 -0.562 51.875 1.00 0.00 H new ATOM 0 HD22 ASN B 25 -44.924 0.628 51.889 1.00 0.00 H new ATOM 586 N ALA B 26 -44.779 3.584 48.899 1.00 0.00 N ATOM 587 CA ALA B 26 -45.860 3.358 47.897 1.00 0.00 C ATOM 588 C ALA B 26 -45.327 3.112 46.445 1.00 0.00 C ATOM 589 O ALA B 26 -44.620 3.952 45.878 1.00 0.00 O ATOM 590 CB ALA B 26 -46.797 4.583 47.942 1.00 0.00 C ATOM 0 H ALA B 26 -43.969 4.078 48.525 1.00 0.00 H new ATOM 0 HA ALA B 26 -46.391 2.443 48.159 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -47.602 4.452 47.219 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -47.219 4.682 48.942 1.00 0.00 H new ATOM 0 HB3 ALA B 26 -46.232 5.482 47.696 1.00 0.00 H new ATOM 596 N SER B 27 -45.716 1.982 45.830 1.00 0.00 N ATOM 597 CA SER B 27 -45.479 1.704 44.385 1.00 0.00 C ATOM 598 C SER B 27 -46.699 2.064 43.485 1.00 0.00 C ATOM 599 O SER B 27 -47.766 1.447 43.535 1.00 0.00 O ATOM 600 CB SER B 27 -45.134 0.211 44.213 1.00 0.00 C ATOM 601 OG SER B 27 -46.161 -0.679 44.664 1.00 0.00 O ATOM 0 H SER B 27 -46.205 1.229 46.313 1.00 0.00 H new ATOM 0 HA SER B 27 -44.653 2.338 44.062 1.00 0.00 H new ATOM 0 HB2 SER B 27 -44.933 0.014 43.160 1.00 0.00 H new ATOM 0 HB3 SER B 27 -44.215 -0.004 44.759 1.00 0.00 H new ATOM 0 HG SER B 27 -47.039 -0.297 44.456 1.00 0.00 H new ATOM 607 N GLN B 28 -46.469 3.024 42.596 1.00 0.00 N ATOM 608 CA GLN B 28 -47.241 3.156 41.327 1.00 0.00 C ATOM 609 C GLN B 28 -46.289 2.863 40.103 1.00 0.00 C ATOM 610 O GLN B 28 -45.114 2.508 40.251 1.00 0.00 O ATOM 611 CB GLN B 28 -48.045 4.492 41.363 1.00 0.00 C ATOM 612 CG GLN B 28 -47.210 5.775 41.278 1.00 0.00 C ATOM 613 CD GLN B 28 -47.970 7.065 41.580 1.00 0.00 C ATOM 614 OE1 GLN B 28 -48.281 7.397 42.717 1.00 0.00 O ATOM 615 NE2 GLN B 28 -48.296 7.843 40.583 1.00 0.00 N ATOM 0 H GLN B 28 -45.750 3.738 42.716 1.00 0.00 H new ATOM 0 HA GLN B 28 -48.021 2.405 41.200 1.00 0.00 H new ATOM 0 HB2 GLN B 28 -48.756 4.488 40.537 1.00 0.00 H new ATOM 0 HB3 GLN B 28 -48.626 4.520 42.285 1.00 0.00 H new ATOM 0 HG2 GLN B 28 -46.375 5.693 41.973 1.00 0.00 H new ATOM 0 HG3 GLN B 28 -46.785 5.848 40.277 1.00 0.00 H new ATOM 0 HE21 GLN B 28 -48.045 7.582 39.629 1.00 0.00 H new ATOM 0 HE22 GLN B 28 -48.802 8.711 40.758 1.00 0.00 H new ATOM 624 N TRP B 29 -46.796 2.962 38.877 1.00 0.00 N ATOM 625 CA TRP B 29 -45.975 2.808 37.622 1.00 0.00 C ATOM 626 C TRP B 29 -45.753 4.135 36.794 1.00 0.00 C ATOM 627 O TRP B 29 -44.924 4.168 35.877 1.00 0.00 O ATOM 628 CB TRP B 29 -46.638 1.668 36.794 1.00 0.00 C ATOM 629 CG TRP B 29 -46.283 0.232 37.179 1.00 0.00 C ATOM 630 CD1 TRP B 29 -46.737 -0.416 38.337 1.00 0.00 C ATOM 631 CD2 TRP B 29 -45.736 -0.764 36.380 1.00 0.00 C ATOM 632 NE1 TRP B 29 -46.526 -1.798 38.277 1.00 0.00 N ATOM 633 CE2 TRP B 29 -45.905 -1.994 37.057 1.00 0.00 C ATOM 634 CE3 TRP B 29 -45.206 -0.741 35.058 1.00 0.00 C ATOM 635 CZ2 TRP B 29 -45.591 -3.209 36.409 1.00 0.00 C ATOM 636 CZ3 TRP B 29 -44.863 -1.956 34.456 1.00 0.00 C ATOM 637 CH2 TRP B 29 -45.062 -3.171 35.119 1.00 0.00 C ATOM 0 H TRP B 29 -47.782 3.150 38.698 1.00 0.00 H new ATOM 0 HA TRP B 29 -44.953 2.549 37.897 1.00 0.00 H new ATOM 0 HB2 TRP B 29 -47.720 1.781 36.868 1.00 0.00 H new ATOM 0 HB3 TRP B 29 -46.374 1.813 35.746 1.00 0.00 H new ATOM 0 HD1 TRP B 29 -47.194 0.091 39.174 1.00 0.00 H new ATOM 0 HE1 TRP B 29 -46.774 -2.500 38.974 1.00 0.00 H new ATOM 0 HE3 TRP B 29 -45.072 0.193 34.533 1.00 0.00 H new ATOM 0 HZ2 TRP B 29 -45.758 -4.154 36.905 1.00 0.00 H new ATOM 0 HZ3 TRP B 29 -44.438 -1.956 33.463 1.00 0.00 H new ATOM 0 HH2 TRP B 29 -44.802 -4.095 34.624 1.00 0.00 H new ATOM 648 N GLU B 30 -46.432 5.239 37.148 1.00 0.00 N ATOM 649 CA GLU B 30 -46.623 6.432 36.284 1.00 0.00 C ATOM 650 C GLU B 30 -45.529 7.468 36.619 1.00 0.00 C ATOM 651 O GLU B 30 -44.378 7.069 36.734 1.00 0.00 O ATOM 652 CB GLU B 30 -48.103 6.913 36.456 1.00 0.00 C ATOM 653 CG GLU B 30 -49.245 5.948 36.037 1.00 0.00 C ATOM 654 CD GLU B 30 -49.275 4.609 36.746 1.00 0.00 C ATOM 655 OE1 GLU B 30 -49.148 4.573 37.991 1.00 0.00 O ATOM 656 OE2 GLU B 30 -49.393 3.578 36.061 1.00 0.00 O ATOM 0 H GLU B 30 -46.876 5.336 38.061 1.00 0.00 H new ATOM 0 HA GLU B 30 -46.497 6.227 35.221 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -48.250 7.166 37.506 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -48.221 7.835 35.886 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -50.198 6.449 36.207 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -49.167 5.768 34.965 1.00 0.00 H new ATOM 663 N ARG B 31 -45.791 8.772 36.750 1.00 0.00 N ATOM 664 CA ARG B 31 -44.732 9.806 36.929 1.00 0.00 C ATOM 665 C ARG B 31 -45.318 11.097 37.585 1.00 0.00 C ATOM 666 O ARG B 31 -46.444 11.465 37.230 1.00 0.00 O ATOM 667 CB ARG B 31 -44.050 10.007 35.540 1.00 0.00 C ATOM 668 CG ARG B 31 -42.501 10.031 35.495 1.00 0.00 C ATOM 669 CD ARG B 31 -41.729 8.803 36.036 1.00 0.00 C ATOM 670 NE ARG B 31 -42.174 7.519 35.415 1.00 0.00 N ATOM 671 CZ ARG B 31 -41.548 6.360 35.540 1.00 0.00 C ATOM 672 NH1 ARG B 31 -40.259 6.258 35.672 1.00 0.00 N ATOM 673 NH2 ARG B 31 -42.250 5.274 35.512 1.00 0.00 N ATOM 0 H ARG B 31 -46.737 9.154 36.737 1.00 0.00 H new ATOM 0 HA ARG B 31 -43.960 9.494 37.632 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -44.392 9.210 34.880 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -44.412 10.946 35.121 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -42.201 10.181 34.458 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -42.166 10.906 36.053 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -40.663 8.940 35.852 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -41.861 8.744 37.116 1.00 0.00 H new ATOM 0 HE ARG B 31 -43.025 7.537 34.852 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -39.679 7.097 35.683 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -39.827 5.339 35.765 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -43.262 5.324 35.396 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -41.791 4.368 35.606 1.00 0.00 H new ATOM 687 N PRO B 32 -44.636 11.856 38.503 1.00 0.00 N ATOM 688 CA PRO B 32 -45.229 13.074 39.140 1.00 0.00 C ATOM 689 C PRO B 32 -45.245 14.360 38.203 1.00 0.00 C ATOM 690 O PRO B 32 -44.982 15.483 38.641 1.00 0.00 O ATOM 691 CB PRO B 32 -44.295 13.259 40.380 1.00 0.00 C ATOM 692 CG PRO B 32 -43.308 12.099 40.384 1.00 0.00 C ATOM 693 CD PRO B 32 -43.252 11.620 38.935 1.00 0.00 C ATOM 0 HA PRO B 32 -46.286 12.953 39.378 1.00 0.00 H new ATOM 0 HB2 PRO B 32 -43.768 14.211 40.325 1.00 0.00 H new ATOM 0 HB3 PRO B 32 -44.878 13.270 41.301 1.00 0.00 H new ATOM 0 HG2 PRO B 32 -42.326 12.418 40.732 1.00 0.00 H new ATOM 0 HG3 PRO B 32 -43.639 11.302 41.050 1.00 0.00 H new ATOM 0 HD2 PRO B 32 -42.534 12.186 38.342 1.00 0.00 H new ATOM 0 HD3 PRO B 32 -42.971 10.570 38.859 1.00 0.00 H new ATOM 701 N SER B 33 -45.400 14.162 36.878 1.00 0.00 N ATOM 702 CA SER B 33 -44.679 14.947 35.828 1.00 0.00 C ATOM 703 C SER B 33 -43.119 14.781 35.902 1.00 0.00 C ATOM 704 O SER B 33 -42.555 13.904 35.240 1.00 0.00 O ATOM 705 CB SER B 33 -45.219 16.392 35.667 1.00 0.00 C ATOM 706 OG SER B 33 -44.652 17.031 34.520 1.00 0.00 O ATOM 0 H SER B 33 -46.027 13.455 36.495 1.00 0.00 H new ATOM 0 HA SER B 33 -44.923 14.497 34.865 1.00 0.00 H new ATOM 0 HB2 SER B 33 -46.305 16.369 35.574 1.00 0.00 H new ATOM 0 HB3 SER B 33 -44.988 16.971 36.561 1.00 0.00 H new ATOM 0 HG SER B 33 -45.011 17.940 34.441 1.00 0.00 H new