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+ 148:sc= 0.836 (180deg=0.522) USER MOD Single : B 10 MET CE :methyl 139:sc= -0.783 (180deg=-4.09!) USER MOD Single : B 11 SER OG : rot -150:sc= 0 USER MOD Single : B 13 SER OG : rot 180:sc= 0 USER MOD Single : B 14 SER OG : rot 32:sc= 0.52 USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 TYR OH : rot 180:sc= 0 USER MOD Single : B 21 ASN : amide:sc=-0.00123 X(o=-0.0012,f=0) USER MOD Single : B 22 HIS : no HE2:sc= 0.514 K(o=0.51,f=-5.1!) 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 180:sc= 0 USER MOD Single : B 28 GLN : amide:sc= -0.0848 X(o=-0.085,f=0) USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 186 N LEU B 2 -35.467 13.425 38.866 1.00 0.00 N ATOM 187 CA LEU B 2 -36.686 13.027 39.658 1.00 0.00 C ATOM 188 C LEU B 2 -36.968 13.764 41.042 1.00 0.00 C ATOM 189 O LEU B 2 -36.084 14.482 41.533 1.00 0.00 O ATOM 190 CB LEU B 2 -36.874 11.476 39.662 1.00 0.00 C ATOM 191 CG LEU B 2 -36.100 10.688 40.748 1.00 0.00 C ATOM 192 CD1 LEU B 2 -37.050 10.287 41.870 1.00 0.00 C ATOM 193 CD2 LEU B 2 -35.408 9.438 40.187 1.00 0.00 C ATOM 0 HA LEU B 2 -37.515 13.458 39.097 1.00 0.00 H new ATOM 0 HB2 LEU B 2 -37.936 11.262 39.777 1.00 0.00 H new ATOM 0 HB3 LEU B 2 -36.576 11.094 38.686 1.00 0.00 H new ATOM 0 HG LEU B 2 -35.321 11.347 41.131 1.00 0.00 H new ATOM 0 HD11 LEU B 2 -36.501 9.733 42.631 1.00 0.00 H new ATOM 0 HD12 LEU B 2 -37.485 11.182 42.315 1.00 0.00 H new ATOM 0 HD13 LEU B 2 -37.845 9.659 41.467 1.00 0.00 H new ATOM 0 HD21 LEU B 2 -34.880 8.923 40.990 1.00 0.00 H new ATOM 0 HD22 LEU B 2 -36.155 8.771 39.757 1.00 0.00 H new ATOM 0 HD23 LEU B 2 -34.697 9.731 39.415 1.00 0.00 H new ATOM 205 N PRO B 3 -38.152 13.639 41.714 1.00 0.00 N ATOM 206 CA PRO B 3 -38.436 14.368 42.980 1.00 0.00 C ATOM 207 C PRO B 3 -37.777 13.893 44.344 1.00 0.00 C ATOM 208 O PRO B 3 -37.386 12.723 44.498 1.00 0.00 O ATOM 209 CB PRO B 3 -39.978 14.432 42.970 1.00 0.00 C ATOM 210 CG PRO B 3 -40.448 14.049 41.579 1.00 0.00 C ATOM 211 CD PRO B 3 -39.380 13.075 41.118 1.00 0.00 C ATOM 0 HA PRO B 3 -37.929 15.333 42.977 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -40.394 13.753 43.714 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -40.321 15.434 43.227 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -41.435 13.587 41.599 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -40.515 14.916 40.922 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -39.574 12.063 41.472 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -39.318 13.026 40.031 1.00 0.00 H new ATOM 219 N PRO B 4 -37.601 14.792 45.364 1.00 0.00 N ATOM 220 CA PRO B 4 -37.018 14.420 46.683 1.00 0.00 C ATOM 221 C PRO B 4 -37.961 13.526 47.554 1.00 0.00 C ATOM 222 O PRO B 4 -39.174 13.741 47.621 1.00 0.00 O ATOM 223 CB PRO B 4 -36.733 15.809 47.285 1.00 0.00 C ATOM 224 CG PRO B 4 -37.851 16.712 46.756 1.00 0.00 C ATOM 225 CD PRO B 4 -38.196 16.147 45.377 1.00 0.00 C ATOM 0 HA PRO B 4 -36.134 13.786 46.615 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -36.737 15.774 48.374 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -35.753 16.176 46.981 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -38.717 16.696 47.417 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -37.522 17.749 46.687 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -39.275 16.107 45.224 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -37.784 16.767 44.581 1.00 0.00 H new ATOM 233 N GLY B 5 -37.391 12.485 48.168 1.00 0.00 N ATOM 234 CA GLY B 5 -38.204 11.396 48.777 1.00 0.00 C ATOM 235 C GLY B 5 -38.774 10.291 47.855 1.00 0.00 C ATOM 236 O GLY B 5 -39.776 9.687 48.238 1.00 0.00 O ATOM 0 H GLY B 5 -36.383 12.362 48.263 1.00 0.00 H new ATOM 0 HA2 GLY B 5 -37.590 10.910 49.536 1.00 0.00 H new ATOM 0 HA3 GLY B 5 -39.043 11.860 49.295 1.00 0.00 H new ATOM 240 N TRP B 6 -38.139 9.960 46.718 1.00 0.00 N ATOM 241 CA TRP B 6 -38.508 8.790 45.894 1.00 0.00 C ATOM 242 C TRP B 6 -37.421 7.678 45.822 1.00 0.00 C ATOM 243 O TRP B 6 -36.247 7.902 46.133 1.00 0.00 O ATOM 244 CB TRP B 6 -38.658 9.462 44.510 1.00 0.00 C ATOM 245 CG TRP B 6 -40.053 9.943 44.185 1.00 0.00 C ATOM 246 CD1 TRP B 6 -40.490 11.257 44.312 1.00 0.00 C ATOM 247 CD2 TRP B 6 -41.115 9.223 43.716 1.00 0.00 C ATOM 248 NE1 TRP B 6 -41.851 11.387 43.973 1.00 0.00 N ATOM 249 CE2 TRP B 6 -42.217 10.103 43.611 1.00 0.00 C ATOM 250 CE3 TRP B 6 -41.205 7.880 43.284 1.00 0.00 C ATOM 251 CZ2 TRP B 6 -43.428 9.649 43.053 1.00 0.00 C ATOM 252 CZ3 TRP B 6 -42.445 7.440 42.804 1.00 0.00 C ATOM 253 CH2 TRP B 6 -43.537 8.308 42.682 1.00 0.00 C ATOM 0 H TRP B 6 -37.355 10.494 46.342 1.00 0.00 H new ATOM 0 HA TRP B 6 -39.379 8.266 46.287 1.00 0.00 H new ATOM 0 HB2 TRP B 6 -37.975 10.310 44.458 1.00 0.00 H new ATOM 0 HB3 TRP B 6 -38.345 8.754 43.743 1.00 0.00 H new ATOM 0 HD1 TRP B 6 -39.863 12.077 44.631 1.00 0.00 H new ATOM 0 HE1 TRP B 6 -42.429 12.227 43.990 1.00 0.00 H new ATOM 0 HE3 TRP B 6 -40.351 7.219 43.323 1.00 0.00 H new ATOM 0 HZ2 TRP B 6 -44.258 10.327 42.915 1.00 0.00 H new ATOM 0 HZ3 TRP B 6 -42.562 6.404 42.521 1.00 0.00 H new ATOM 0 HH2 TRP B 6 -44.474 7.935 42.296 1.00 0.00 H new ATOM 264 N GLU B 7 -37.793 6.496 45.287 1.00 0.00 N ATOM 265 CA GLU B 7 -36.859 5.634 44.557 1.00 0.00 C ATOM 266 C GLU B 7 -37.676 4.821 43.479 1.00 0.00 C ATOM 267 O GLU B 7 -38.835 5.099 43.147 1.00 0.00 O ATOM 268 CB GLU B 7 -36.041 4.820 45.621 1.00 0.00 C ATOM 269 CG GLU B 7 -34.576 4.450 45.269 1.00 0.00 C ATOM 270 CD GLU B 7 -34.377 3.197 44.457 1.00 0.00 C ATOM 271 OE1 GLU B 7 -34.539 2.087 45.011 1.00 0.00 O ATOM 272 OE2 GLU B 7 -34.103 3.323 43.247 1.00 0.00 O ATOM 0 H GLU B 7 -38.740 6.122 45.351 1.00 0.00 H new ATOM 0 HA GLU B 7 -36.107 6.163 43.972 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -36.029 5.394 46.547 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -36.581 3.896 45.825 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -34.135 5.284 44.723 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -34.017 4.346 46.199 1.00 0.00 H new ATOM 279 N LYS B 8 -37.038 3.831 42.871 1.00 0.00 N ATOM 280 CA LYS B 8 -37.623 2.938 41.841 1.00 0.00 C ATOM 281 C LYS B 8 -36.936 1.534 41.784 1.00 0.00 C ATOM 282 O LYS B 8 -35.711 1.386 41.791 1.00 0.00 O ATOM 283 CB LYS B 8 -37.716 3.678 40.479 1.00 0.00 C ATOM 284 CG LYS B 8 -36.436 4.249 39.823 1.00 0.00 C ATOM 285 CD LYS B 8 -35.586 3.197 39.071 1.00 0.00 C ATOM 286 CE LYS B 8 -34.064 3.419 39.193 1.00 0.00 C ATOM 287 NZ LYS B 8 -33.646 2.971 40.569 1.00 0.00 N ATOM 0 H LYS B 8 -36.065 3.607 43.078 1.00 0.00 H new ATOM 0 HA LYS B 8 -38.646 2.699 42.131 1.00 0.00 H new ATOM 0 HB2 LYS B 8 -38.167 2.989 39.765 1.00 0.00 H new ATOM 0 HB3 LYS B 8 -38.413 4.506 40.606 1.00 0.00 H new ATOM 0 HG2 LYS B 8 -36.719 5.037 39.125 1.00 0.00 H new ATOM 0 HG3 LYS B 8 -35.821 4.712 40.595 1.00 0.00 H new ATOM 0 HD2 LYS B 8 -35.830 2.206 39.454 1.00 0.00 H new ATOM 0 HD3 LYS B 8 -35.861 3.208 38.016 1.00 0.00 H new ATOM 0 HE2 LYS B 8 -33.532 2.853 38.428 1.00 0.00 H new ATOM 0 HE3 LYS B 8 -33.817 4.470 39.041 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 -32.678 2.593 40.532 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 -33.677 3.780 41.222 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 -34.294 2.230 40.905 1.00 0.00 H new ATOM 301 N ARG B 9 -37.743 0.472 41.730 1.00 0.00 N ATOM 302 CA ARG B 9 -37.342 -0.903 42.070 1.00 0.00 C ATOM 303 C ARG B 9 -38.015 -1.823 41.019 1.00 0.00 C ATOM 304 O ARG B 9 -39.149 -1.614 40.599 1.00 0.00 O ATOM 305 CB ARG B 9 -37.850 -1.270 43.496 1.00 0.00 C ATOM 306 CG ARG B 9 -37.449 -0.297 44.628 1.00 0.00 C ATOM 307 CD ARG B 9 -37.379 -0.937 46.032 1.00 0.00 C ATOM 308 NE ARG B 9 -36.443 -0.137 46.866 1.00 0.00 N ATOM 309 CZ ARG B 9 -36.748 1.002 47.457 1.00 0.00 C ATOM 310 NH1 ARG B 9 -37.912 1.245 47.977 1.00 0.00 N ATOM 311 NH2 ARG B 9 -35.837 1.914 47.514 1.00 0.00 N ATOM 0 H ARG B 9 -38.719 0.542 41.442 1.00 0.00 H new ATOM 0 HA ARG B 9 -36.258 -1.013 42.063 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -38.938 -1.335 43.467 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -37.478 -2.263 43.748 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -36.476 0.134 44.391 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -38.165 0.525 44.653 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -38.369 -0.960 46.488 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -37.037 -1.969 45.962 1.00 0.00 H new ATOM 0 HE ARG B 9 -35.496 -0.495 46.990 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -38.645 0.537 47.940 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -38.094 2.144 48.423 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -34.917 1.741 47.110 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -36.037 2.807 47.964 1.00 0.00 H new ATOM 325 N MET B 10 -37.337 -2.889 40.638 1.00 0.00 N ATOM 326 CA MET B 10 -37.963 -4.012 39.860 1.00 0.00 C ATOM 327 C MET B 10 -39.311 -4.592 40.457 1.00 0.00 C ATOM 328 O MET B 10 -39.621 -4.401 41.632 1.00 0.00 O ATOM 329 CB MET B 10 -36.868 -5.056 39.490 1.00 0.00 C ATOM 330 CG MET B 10 -36.102 -5.797 40.611 1.00 0.00 C ATOM 331 SD MET B 10 -37.173 -6.940 41.500 1.00 0.00 S ATOM 332 CE MET B 10 -37.612 -5.960 42.940 1.00 0.00 C ATOM 0 H MET B 10 -36.347 -3.028 40.842 1.00 0.00 H new ATOM 0 HA MET B 10 -38.345 -3.601 38.926 1.00 0.00 H new ATOM 0 HB2 MET B 10 -37.339 -5.813 38.863 1.00 0.00 H new ATOM 0 HB3 MET B 10 -36.128 -4.546 38.873 1.00 0.00 H new ATOM 0 HG2 MET B 10 -35.263 -6.344 40.180 1.00 0.00 H new ATOM 0 HG3 MET B 10 -35.684 -5.071 41.309 1.00 0.00 H new ATOM 0 HE1 MET B 10 -38.668 -6.103 43.169 1.00 0.00 H new ATOM 0 HE2 MET B 10 -37.010 -6.276 43.792 1.00 0.00 H new ATOM 0 HE3 MET B 10 -37.424 -4.906 42.734 1.00 0.00 H new ATOM 342 N SER B 11 -40.164 -5.231 39.645 1.00 0.00 N ATOM 343 CA SER B 11 -41.503 -5.724 40.109 1.00 0.00 C ATOM 344 C SER B 11 -41.402 -7.035 40.968 1.00 0.00 C ATOM 345 O SER B 11 -41.169 -6.948 42.178 1.00 0.00 O ATOM 346 CB SER B 11 -42.456 -5.743 38.889 1.00 0.00 C ATOM 347 OG SER B 11 -43.785 -6.099 39.271 1.00 0.00 O ATOM 0 H SER B 11 -39.967 -5.427 38.663 1.00 0.00 H new ATOM 0 HA SER B 11 -41.951 -5.043 40.832 1.00 0.00 H new ATOM 0 HB2 SER B 11 -42.463 -4.761 38.415 1.00 0.00 H new ATOM 0 HB3 SER B 11 -42.087 -6.452 38.148 1.00 0.00 H new ATOM 0 HG SER B 11 -44.228 -6.557 38.526 1.00 0.00 H new ATOM 353 N ARG B 12 -41.520 -8.237 40.380 1.00 0.00 N ATOM 354 CA ARG B 12 -41.099 -9.503 41.050 1.00 0.00 C ATOM 355 C ARG B 12 -39.852 -10.102 40.316 1.00 0.00 C ATOM 356 O ARG B 12 -39.993 -10.855 39.348 1.00 0.00 O ATOM 357 CB ARG B 12 -42.295 -10.489 41.100 1.00 0.00 C ATOM 358 CG ARG B 12 -43.504 -10.044 41.969 1.00 0.00 C ATOM 359 CD ARG B 12 -44.641 -11.075 42.074 1.00 0.00 C ATOM 360 NE ARG B 12 -45.210 -11.360 40.725 1.00 0.00 N ATOM 361 CZ ARG B 12 -46.140 -12.254 40.449 1.00 0.00 C ATOM 362 NH1 ARG B 12 -46.847 -12.837 41.349 1.00 0.00 N ATOM 363 NH2 ARG B 12 -46.405 -12.511 39.220 1.00 0.00 N ATOM 0 H ARG B 12 -41.902 -8.370 39.444 1.00 0.00 H new ATOM 0 HA ARG B 12 -40.800 -9.305 42.079 1.00 0.00 H new ATOM 0 HB2 ARG B 12 -42.646 -10.656 40.082 1.00 0.00 H new ATOM 0 HB3 ARG B 12 -41.936 -11.447 41.475 1.00 0.00 H new ATOM 0 HG2 ARG B 12 -43.147 -9.816 42.973 1.00 0.00 H new ATOM 0 HG3 ARG B 12 -43.908 -9.120 41.557 1.00 0.00 H new ATOM 0 HD2 ARG B 12 -44.265 -11.996 42.519 1.00 0.00 H new ATOM 0 HD3 ARG B 12 -45.423 -10.698 42.733 1.00 0.00 H new ATOM 0 HE ARG B 12 -44.847 -10.813 39.944 1.00 0.00 H new ATOM 0 HH11 ARG B 12 -46.702 -12.616 42.334 1.00 0.00 H new ATOM 0 HH12 ARG B 12 -47.553 -13.521 41.079 1.00 0.00 H new ATOM 0 HH21 ARG B 12 -45.900 -12.027 38.477 1.00 0.00 H new ATOM 0 HH22 ARG B 12 -47.121 -13.199 38.986 1.00 0.00 H new ATOM 377 N SER B 13 -38.637 -9.752 40.782 1.00 0.00 N ATOM 378 CA SER B 13 -37.336 -10.202 40.189 1.00 0.00 C ATOM 379 C SER B 13 -36.968 -9.609 38.782 1.00 0.00 C ATOM 380 O SER B 13 -36.069 -8.772 38.679 1.00 0.00 O ATOM 381 CB SER B 13 -37.128 -11.735 40.340 1.00 0.00 C ATOM 382 OG SER B 13 -35.809 -12.125 39.952 1.00 0.00 O ATOM 0 H SER B 13 -38.516 -9.142 41.590 1.00 0.00 H new ATOM 0 HA SER B 13 -36.571 -9.730 40.806 1.00 0.00 H new ATOM 0 HB2 SER B 13 -37.305 -12.027 41.375 1.00 0.00 H new ATOM 0 HB3 SER B 13 -37.860 -12.264 39.730 1.00 0.00 H new ATOM 0 HG SER B 13 -35.709 -13.094 40.060 1.00 0.00 H new ATOM 388 N SER B 14 -37.617 -10.072 37.701 1.00 0.00 N ATOM 389 CA SER B 14 -37.228 -9.737 36.302 1.00 0.00 C ATOM 390 C SER B 14 -38.485 -9.616 35.381 1.00 0.00 C ATOM 391 O SER B 14 -39.145 -10.619 35.087 1.00 0.00 O ATOM 392 CB SER B 14 -36.234 -10.808 35.779 1.00 0.00 C ATOM 393 OG SER B 14 -36.826 -12.109 35.709 1.00 0.00 O ATOM 0 H SER B 14 -38.427 -10.689 37.762 1.00 0.00 H new ATOM 0 HA SER B 14 -36.735 -8.765 36.287 1.00 0.00 H new ATOM 0 HB2 SER B 14 -35.879 -10.519 34.790 1.00 0.00 H new ATOM 0 HB3 SER B 14 -35.363 -10.842 36.433 1.00 0.00 H new ATOM 0 HG SER B 14 -37.780 -12.024 35.499 1.00 0.00 H new ATOM 399 N GLY B 15 -38.813 -8.401 34.912 1.00 0.00 N ATOM 400 CA GLY B 15 -39.956 -8.201 33.971 1.00 0.00 C ATOM 401 C GLY B 15 -40.551 -6.781 33.888 1.00 0.00 C ATOM 402 O GLY B 15 -40.674 -6.226 32.796 1.00 0.00 O ATOM 0 H GLY B 15 -38.317 -7.544 35.158 1.00 0.00 H new ATOM 0 HA2 GLY B 15 -39.628 -8.490 32.973 1.00 0.00 H new ATOM 0 HA3 GLY B 15 -40.754 -8.887 34.256 1.00 0.00 H new ATOM 406 N ARG B 16 -41.002 -6.228 35.023 1.00 0.00 N ATOM 407 CA ARG B 16 -41.494 -4.817 35.102 1.00 0.00 C ATOM 408 C ARG B 16 -40.786 -4.023 36.267 1.00 0.00 C ATOM 409 O ARG B 16 -39.805 -4.482 36.861 1.00 0.00 O ATOM 410 CB ARG B 16 -43.059 -4.845 35.161 1.00 0.00 C ATOM 411 CG ARG B 16 -43.812 -5.277 33.873 1.00 0.00 C ATOM 412 CD ARG B 16 -44.213 -6.766 33.852 1.00 0.00 C ATOM 413 NE ARG B 16 -45.169 -7.002 32.733 1.00 0.00 N ATOM 414 CZ ARG B 16 -46.297 -7.726 32.806 1.00 0.00 C ATOM 415 NH1 ARG B 16 -46.669 -8.409 33.846 1.00 0.00 N ATOM 416 NH2 ARG B 16 -47.097 -7.775 31.788 1.00 0.00 N ATOM 0 H ARG B 16 -41.042 -6.728 35.911 1.00 0.00 H new ATOM 0 HA ARG B 16 -41.221 -4.253 34.210 1.00 0.00 H new ATOM 0 HB2 ARG B 16 -43.354 -5.518 35.966 1.00 0.00 H new ATOM 0 HB3 ARG B 16 -43.404 -3.848 35.436 1.00 0.00 H new ATOM 0 HG2 ARG B 16 -44.710 -4.668 33.767 1.00 0.00 H new ATOM 0 HG3 ARG B 16 -43.182 -5.069 33.008 1.00 0.00 H new ATOM 0 HD2 ARG B 16 -43.329 -7.391 33.728 1.00 0.00 H new ATOM 0 HD3 ARG B 16 -44.670 -7.045 34.801 1.00 0.00 H new ATOM 0 HE ARG B 16 -44.947 -6.576 31.833 1.00 0.00 H new ATOM 0 HH11 ARG B 16 -46.088 -8.419 34.684 1.00 0.00 H new ATOM 0 HH12 ARG B 16 -47.542 -8.935 33.825 1.00 0.00 H new ATOM 0 HH21 ARG B 16 -46.869 -7.265 30.935 1.00 0.00 H new ATOM 0 HH22 ARG B 16 -47.955 -8.324 31.840 1.00 0.00 H new ATOM 430 N VAL B 17 -41.269 -2.812 36.583 1.00 0.00 N ATOM 431 CA VAL B 17 -40.640 -1.884 37.581 1.00 0.00 C ATOM 432 C VAL B 17 -41.742 -1.118 38.383 1.00 0.00 C ATOM 433 O VAL B 17 -42.642 -0.514 37.787 1.00 0.00 O ATOM 434 CB VAL B 17 -39.589 -0.951 36.875 1.00 0.00 C ATOM 435 CG1 VAL B 17 -40.144 -0.099 35.713 1.00 0.00 C ATOM 436 CG2 VAL B 17 -38.813 0.003 37.813 1.00 0.00 C ATOM 0 H VAL B 17 -42.114 -2.430 36.158 1.00 0.00 H new ATOM 0 HA VAL B 17 -40.079 -2.456 38.320 1.00 0.00 H new ATOM 0 HB VAL B 17 -38.903 -1.701 36.480 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -39.343 0.509 35.293 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -40.545 -0.755 34.940 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -40.936 0.551 36.085 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -38.115 0.601 37.227 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -39.515 0.662 38.324 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -38.261 -0.581 38.550 1.00 0.00 H new ATOM 446 N TYR B 18 -41.643 -1.099 39.727 1.00 0.00 N ATOM 447 CA TYR B 18 -42.444 -0.171 40.565 1.00 0.00 C ATOM 448 C TYR B 18 -41.597 1.071 40.992 1.00 0.00 C ATOM 449 O TYR B 18 -40.546 0.949 41.627 1.00 0.00 O ATOM 450 CB TYR B 18 -43.163 -0.924 41.722 1.00 0.00 C ATOM 451 CG TYR B 18 -42.369 -1.347 42.966 1.00 0.00 C ATOM 452 CD1 TYR B 18 -41.714 -2.575 42.974 1.00 0.00 C ATOM 453 CD2 TYR B 18 -42.363 -0.561 44.122 1.00 0.00 C ATOM 454 CE1 TYR B 18 -41.076 -3.032 44.124 1.00 0.00 C ATOM 455 CE2 TYR B 18 -41.708 -1.008 45.270 1.00 0.00 C ATOM 456 CZ TYR B 18 -41.072 -2.246 45.272 1.00 0.00 C ATOM 457 OH TYR B 18 -40.448 -2.696 46.402 1.00 0.00 O ATOM 0 H TYR B 18 -41.022 -1.710 40.257 1.00 0.00 H new ATOM 0 HA TYR B 18 -43.259 0.242 39.970 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -43.985 -0.293 42.060 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -43.607 -1.825 41.298 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -41.701 -3.179 42.079 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -42.867 0.394 44.126 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -40.585 -3.994 44.125 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -41.695 -0.393 46.158 1.00 0.00 H new ATOM 0 HH TYR B 18 -40.536 -2.027 47.113 1.00 0.00 H new ATOM 467 N TYR B 19 -42.067 2.282 40.665 1.00 0.00 N ATOM 468 CA TYR B 19 -41.522 3.532 41.263 1.00 0.00 C ATOM 469 C TYR B 19 -42.187 3.751 42.661 1.00 0.00 C ATOM 470 O TYR B 19 -43.416 3.711 42.800 1.00 0.00 O ATOM 471 CB TYR B 19 -41.712 4.752 40.331 1.00 0.00 C ATOM 472 CG TYR B 19 -40.928 4.824 39.003 1.00 0.00 C ATOM 473 CD1 TYR B 19 -41.196 3.925 37.962 1.00 0.00 C ATOM 474 CD2 TYR B 19 -40.018 5.871 38.781 1.00 0.00 C ATOM 475 CE1 TYR B 19 -40.566 4.065 36.729 1.00 0.00 C ATOM 476 CE2 TYR B 19 -39.380 5.998 37.549 1.00 0.00 C ATOM 477 CZ TYR B 19 -39.663 5.102 36.524 1.00 0.00 C ATOM 478 OH TYR B 19 -39.112 5.288 35.287 1.00 0.00 O ATOM 0 H TYR B 19 -42.820 2.434 39.994 1.00 0.00 H new ATOM 0 HA TYR B 19 -40.445 3.427 41.393 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -42.773 4.815 40.088 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -41.463 5.644 40.906 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -41.896 3.118 38.118 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -39.812 6.581 39.569 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -40.779 3.368 35.932 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -38.666 6.792 37.390 1.00 0.00 H new ATOM 0 HH TYR B 19 -38.503 6.055 35.312 1.00 0.00 H new ATOM 488 N PHE B 20 -41.366 3.940 43.699 1.00 0.00 N ATOM 489 CA PHE B 20 -41.842 3.980 45.106 1.00 0.00 C ATOM 490 C PHE B 20 -41.583 5.371 45.765 1.00 0.00 C ATOM 491 O PHE B 20 -40.436 5.774 45.957 1.00 0.00 O ATOM 492 CB PHE B 20 -41.149 2.791 45.831 1.00 0.00 C ATOM 493 CG PHE B 20 -41.622 2.596 47.283 1.00 0.00 C ATOM 494 CD1 PHE B 20 -42.811 1.935 47.548 1.00 0.00 C ATOM 495 CD2 PHE B 20 -40.925 3.182 48.327 1.00 0.00 C ATOM 496 CE1 PHE B 20 -43.301 1.853 48.847 1.00 0.00 C ATOM 497 CE2 PHE B 20 -41.404 3.105 49.630 1.00 0.00 C ATOM 498 CZ PHE B 20 -42.606 2.421 49.946 1.00 0.00 C ATOM 0 H PHE B 20 -40.359 4.070 43.601 1.00 0.00 H new ATOM 0 HA PHE B 20 -42.924 3.864 45.174 1.00 0.00 H new ATOM 0 HB2 PHE B 20 -41.336 1.875 45.270 1.00 0.00 H new ATOM 0 HB3 PHE B 20 -40.071 2.952 45.827 1.00 0.00 H new ATOM 0 HD1 PHE B 20 -43.362 1.479 46.738 1.00 0.00 H new ATOM 0 HD2 PHE B 20 -40.001 3.704 48.127 1.00 0.00 H new ATOM 0 HE1 PHE B 20 -44.236 1.343 49.024 1.00 0.00 H new ATOM 0 HE2 PHE B 20 -40.845 3.579 50.424 1.00 0.00 H new ATOM 0 HZ PHE B 20 -42.969 2.338 50.960 1.00 0.00 H new ATOM 508 N ASN B 21 -42.640 6.079 46.187 1.00 0.00 N ATOM 509 CA ASN B 21 -42.497 7.312 47.007 1.00 0.00 C ATOM 510 C ASN B 21 -42.238 6.946 48.511 1.00 0.00 C ATOM 511 O ASN B 21 -43.066 6.280 49.133 1.00 0.00 O ATOM 512 CB ASN B 21 -43.778 8.176 46.799 1.00 0.00 C ATOM 513 CG ASN B 21 -43.682 9.698 46.959 1.00 0.00 C ATOM 514 OD1 ASN B 21 -44.376 10.451 46.292 1.00 0.00 O ATOM 515 ND2 ASN B 21 -42.868 10.230 47.832 1.00 0.00 N ATOM 0 H ASN B 21 -43.606 5.827 45.979 1.00 0.00 H new ATOM 0 HA ASN B 21 -41.632 7.896 46.692 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -44.152 7.974 45.795 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -44.533 7.819 47.499 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -42.827 11.243 47.939 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -42.274 9.632 48.406 1.00 0.00 H new ATOM 522 N HIS B 22 -41.112 7.381 49.098 1.00 0.00 N ATOM 523 CA HIS B 22 -40.756 7.076 50.522 1.00 0.00 C ATOM 524 C HIS B 22 -41.438 7.998 51.589 1.00 0.00 C ATOM 525 O HIS B 22 -41.987 7.501 52.572 1.00 0.00 O ATOM 526 CB HIS B 22 -39.202 7.102 50.656 1.00 0.00 C ATOM 527 CG HIS B 22 -38.508 5.781 50.358 1.00 0.00 C ATOM 528 ND1 HIS B 22 -38.273 4.833 51.329 1.00 0.00 N ATOM 529 CD2 HIS B 22 -37.962 5.361 49.135 1.00 0.00 C ATOM 530 CE1 HIS B 22 -37.579 3.909 50.608 1.00 0.00 C ATOM 531 NE2 HIS B 22 -37.355 4.115 49.268 1.00 0.00 N ATOM 0 H HIS B 22 -40.417 7.951 48.616 1.00 0.00 H new ATOM 0 HA HIS B 22 -41.152 6.085 50.746 1.00 0.00 H new ATOM 0 HB2 HIS B 22 -38.807 7.863 49.982 1.00 0.00 H new ATOM 0 HB3 HIS B 22 -38.945 7.409 51.670 1.00 0.00 H new ATOM 0 HD1 HIS B 22 -38.543 4.825 52.313 1.00 0.00 H new ATOM 0 HD2 HIS B 22 -38.007 5.927 48.216 1.00 0.00 H new ATOM 0 HE1 HIS B 22 -37.206 3.017 51.088 1.00 0.00 H new ATOM 539 N ILE B 23 -41.391 9.327 51.407 1.00 0.00 N ATOM 540 CA ILE B 23 -42.076 10.326 52.300 1.00 0.00 C ATOM 541 C ILE B 23 -43.643 10.205 52.406 1.00 0.00 C ATOM 542 O ILE B 23 -44.197 10.299 53.501 1.00 0.00 O ATOM 543 CB ILE B 23 -41.585 11.784 51.960 1.00 0.00 C ATOM 544 CG1 ILE B 23 -41.827 12.204 50.476 1.00 0.00 C ATOM 545 CG2 ILE B 23 -40.111 12.000 52.398 1.00 0.00 C ATOM 546 CD1 ILE B 23 -41.440 13.631 50.072 1.00 0.00 C ATOM 0 H ILE B 23 -40.879 9.760 50.638 1.00 0.00 H new ATOM 0 HA ILE B 23 -41.765 10.074 53.314 1.00 0.00 H new ATOM 0 HB ILE B 23 -42.211 12.455 52.548 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -41.277 11.513 49.837 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -42.886 12.068 50.256 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -39.803 13.015 52.149 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -40.025 11.848 53.474 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -39.469 11.289 51.879 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -41.663 13.783 49.016 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -42.007 14.345 50.669 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -40.374 13.781 50.243 1.00 0.00 H new ATOM 558 N THR B 24 -44.342 9.957 51.288 1.00 0.00 N ATOM 559 CA THR B 24 -45.750 9.447 51.290 1.00 0.00 C ATOM 560 C THR B 24 -45.919 7.946 51.743 1.00 0.00 C ATOM 561 O THR B 24 -46.863 7.631 52.468 1.00 0.00 O ATOM 562 CB THR B 24 -46.313 9.707 49.853 1.00 0.00 C ATOM 563 OG1 THR B 24 -46.375 11.101 49.574 1.00 0.00 O ATOM 564 CG2 THR B 24 -47.725 9.173 49.589 1.00 0.00 C ATOM 0 H THR B 24 -43.962 10.099 50.352 1.00 0.00 H new ATOM 0 HA THR B 24 -46.319 9.982 52.050 1.00 0.00 H new ATOM 0 HB THR B 24 -45.612 9.168 49.216 1.00 0.00 H new ATOM 0 HG1 THR B 24 -46.728 11.238 48.670 1.00 0.00 H new ATOM 0 HG21 THR B 24 -48.017 9.407 48.565 1.00 0.00 H new ATOM 0 HG22 THR B 24 -47.738 8.093 49.732 1.00 0.00 H new ATOM 0 HG23 THR B 24 -48.426 9.639 50.282 1.00 0.00 H new ATOM 572 N ASN B 25 -45.060 7.039 51.243 1.00 0.00 N ATOM 573 CA ASN B 25 -45.184 5.551 51.359 1.00 0.00 C ATOM 574 C ASN B 25 -46.209 4.961 50.322 1.00 0.00 C ATOM 575 O ASN B 25 -47.292 4.495 50.690 1.00 0.00 O ATOM 576 CB ASN B 25 -45.313 5.065 52.834 1.00 0.00 C ATOM 577 CG ASN B 25 -45.015 3.585 53.064 1.00 0.00 C ATOM 578 OD1 ASN B 25 -43.892 3.176 53.327 1.00 0.00 O ATOM 579 ND2 ASN B 25 -45.997 2.728 52.962 1.00 0.00 N ATOM 0 H ASN B 25 -44.226 7.319 50.726 1.00 0.00 H new ATOM 0 HA ASN B 25 -44.237 5.105 51.054 1.00 0.00 H new ATOM 0 HB2 ASN B 25 -44.637 5.655 53.454 1.00 0.00 H new ATOM 0 HB3 ASN B 25 -46.326 5.272 53.180 1.00 0.00 H new ATOM 0 HD21 ASN B 25 -45.822 1.733 53.101 1.00 0.00 H new ATOM 0 HD22 ASN B 25 -46.938 3.055 52.743 1.00 0.00 H new ATOM 586 N ALA B 26 -45.862 4.987 49.019 1.00 0.00 N ATOM 587 CA ALA B 26 -46.780 4.571 47.924 1.00 0.00 C ATOM 588 C ALA B 26 -46.026 3.951 46.704 1.00 0.00 C ATOM 589 O ALA B 26 -45.160 4.590 46.097 1.00 0.00 O ATOM 590 CB ALA B 26 -47.596 5.808 47.490 1.00 0.00 C ATOM 0 H ALA B 26 -44.946 5.294 48.692 1.00 0.00 H new ATOM 0 HA ALA B 26 -47.436 3.785 48.299 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -48.278 5.530 46.687 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -48.168 6.183 48.339 1.00 0.00 H new ATOM 0 HB3 ALA B 26 -46.918 6.586 47.138 1.00 0.00 H new ATOM 596 N SER B 27 -46.405 2.727 46.301 1.00 0.00 N ATOM 597 CA SER B 27 -45.997 2.141 44.995 1.00 0.00 C ATOM 598 C SER B 27 -46.942 2.542 43.814 1.00 0.00 C ATOM 599 O SER B 27 -48.171 2.453 43.898 1.00 0.00 O ATOM 600 CB SER B 27 -45.917 0.600 45.140 1.00 0.00 C ATOM 601 OG SER B 27 -47.157 0.005 45.538 1.00 0.00 O ATOM 0 H SER B 27 -46.998 2.113 46.860 1.00 0.00 H new ATOM 0 HA SER B 27 -45.019 2.548 44.739 1.00 0.00 H new ATOM 0 HB2 SER B 27 -45.603 0.168 44.190 1.00 0.00 H new ATOM 0 HB3 SER B 27 -45.150 0.350 45.873 1.00 0.00 H new ATOM 0 HG SER B 27 -47.045 -0.966 45.611 1.00 0.00 H new ATOM 607 N GLN B 28 -46.345 2.930 42.685 1.00 0.00 N ATOM 608 CA GLN B 28 -47.004 2.858 41.349 1.00 0.00 C ATOM 609 C GLN B 28 -46.055 2.198 40.286 1.00 0.00 C ATOM 610 O GLN B 28 -44.943 1.770 40.598 1.00 0.00 O ATOM 611 CB GLN B 28 -47.577 4.254 40.966 1.00 0.00 C ATOM 612 CG GLN B 28 -46.551 5.360 40.596 1.00 0.00 C ATOM 613 CD GLN B 28 -47.134 6.525 39.794 1.00 0.00 C ATOM 614 OE1 GLN B 28 -47.492 7.574 40.314 1.00 0.00 O ATOM 615 NE2 GLN B 28 -47.250 6.344 38.502 1.00 0.00 N ATOM 0 H GLN B 28 -45.396 3.303 42.655 1.00 0.00 H new ATOM 0 HA GLN B 28 -47.866 2.191 41.383 1.00 0.00 H new ATOM 0 HB2 GLN B 28 -48.253 4.123 40.121 1.00 0.00 H new ATOM 0 HB3 GLN B 28 -48.177 4.615 41.801 1.00 0.00 H new ATOM 0 HG2 GLN B 28 -46.111 5.751 41.513 1.00 0.00 H new ATOM 0 HG3 GLN B 28 -45.742 4.909 40.022 1.00 0.00 H new ATOM 0 HE21 GLN B 28 -46.948 5.465 38.081 1.00 0.00 H new ATOM 0 HE22 GLN B 28 -47.642 7.082 37.917 1.00 0.00 H new ATOM 624 N TRP B 29 -46.475 2.136 39.015 1.00 0.00 N ATOM 625 CA TRP B 29 -45.575 1.706 37.886 1.00 0.00 C ATOM 626 C TRP B 29 -45.133 2.860 36.907 1.00 0.00 C ATOM 627 O TRP B 29 -44.910 2.608 35.720 1.00 0.00 O ATOM 628 CB TRP B 29 -46.253 0.510 37.147 1.00 0.00 C ATOM 629 CG TRP B 29 -46.162 -0.910 37.712 1.00 0.00 C ATOM 630 CD1 TRP B 29 -45.654 -1.329 38.954 1.00 0.00 C ATOM 631 CD2 TRP B 29 -46.404 -2.077 37.001 1.00 0.00 C ATOM 632 NE1 TRP B 29 -45.537 -2.724 39.022 1.00 0.00 N ATOM 633 CE2 TRP B 29 -46.007 -3.167 37.806 1.00 0.00 C ATOM 634 CE3 TRP B 29 -46.896 -2.297 35.685 1.00 0.00 C ATOM 635 CZ2 TRP B 29 -46.085 -4.483 37.307 1.00 0.00 C ATOM 636 CZ3 TRP B 29 -46.993 -3.611 35.224 1.00 0.00 C ATOM 637 CH2 TRP B 29 -46.601 -4.689 36.026 1.00 0.00 C ATOM 0 H TRP B 29 -47.423 2.373 38.723 1.00 0.00 H new ATOM 0 HA TRP B 29 -44.627 1.389 38.321 1.00 0.00 H new ATOM 0 HB2 TRP B 29 -47.312 0.750 37.052 1.00 0.00 H new ATOM 0 HB3 TRP B 29 -45.841 0.481 36.138 1.00 0.00 H new ATOM 0 HD1 TRP B 29 -45.387 -0.658 39.757 1.00 0.00 H new ATOM 0 HE1 TRP B 29 -45.183 -3.285 39.797 1.00 0.00 H new ATOM 0 HE3 TRP B 29 -47.187 -1.468 35.058 1.00 0.00 H new ATOM 0 HZ2 TRP B 29 -45.751 -5.318 37.905 1.00 0.00 H new ATOM 0 HZ3 TRP B 29 -47.377 -3.799 34.232 1.00 0.00 H new ATOM 0 HH2 TRP B 29 -46.699 -5.696 35.648 1.00 0.00 H new ATOM 648 N GLU B 30 -44.953 4.106 37.389 1.00 0.00 N ATOM 649 CA GLU B 30 -44.461 5.235 36.562 1.00 0.00 C ATOM 650 C GLU B 30 -43.703 6.330 37.380 1.00 0.00 C ATOM 651 O GLU B 30 -43.957 6.635 38.550 1.00 0.00 O ATOM 652 CB GLU B 30 -45.630 5.876 35.738 1.00 0.00 C ATOM 653 CG GLU B 30 -45.478 5.742 34.211 1.00 0.00 C ATOM 654 CD GLU B 30 -44.341 6.497 33.530 1.00 0.00 C ATOM 655 OE1 GLU B 30 -43.163 6.136 33.723 1.00 0.00 O ATOM 656 OE2 GLU B 30 -44.606 7.488 32.816 1.00 0.00 O ATOM 0 H GLU B 30 -45.143 4.361 38.358 1.00 0.00 H new ATOM 0 HA GLU B 30 -43.730 4.805 35.877 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -46.569 5.412 36.040 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -45.701 6.933 35.993 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -45.360 4.683 33.980 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -46.413 6.066 33.754 1.00 0.00 H new ATOM 663 N ARG B 31 -42.805 6.969 36.642 1.00 0.00 N ATOM 664 CA ARG B 31 -42.370 8.377 36.817 1.00 0.00 C ATOM 665 C ARG B 31 -43.434 9.445 37.318 1.00 0.00 C ATOM 666 O ARG B 31 -44.433 9.640 36.618 1.00 0.00 O ATOM 667 CB ARG B 31 -41.876 8.639 35.360 1.00 0.00 C ATOM 668 CG ARG B 31 -41.470 10.052 34.882 1.00 0.00 C ATOM 669 CD ARG B 31 -41.203 10.138 33.352 1.00 0.00 C ATOM 670 NE ARG B 31 -42.370 9.621 32.567 1.00 0.00 N ATOM 671 CZ ARG B 31 -43.089 10.264 31.669 1.00 0.00 C ATOM 672 NH1 ARG B 31 -42.756 11.401 31.142 1.00 0.00 N ATOM 673 NH2 ARG B 31 -44.192 9.711 31.292 1.00 0.00 N ATOM 0 H ARG B 31 -42.329 6.512 35.865 1.00 0.00 H new ATOM 0 HA ARG B 31 -41.655 8.497 37.631 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -41.015 7.991 35.197 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -42.665 8.294 34.692 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -42.259 10.756 35.145 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -40.573 10.364 35.417 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -41.004 11.173 33.073 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -40.311 9.563 33.103 1.00 0.00 H new ATOM 0 HE ARG B 31 -42.641 8.655 32.750 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -41.886 11.856 31.418 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -43.364 11.840 30.451 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -44.474 8.814 31.687 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -44.782 10.171 30.599 1.00 0.00 H new ATOM 687 N PRO B 32 -43.239 10.217 38.435 1.00 0.00 N ATOM 688 CA PRO B 32 -44.170 11.326 38.843 1.00 0.00 C ATOM 689 C PRO B 32 -44.526 12.444 37.800 1.00 0.00 C ATOM 690 O PRO B 32 -45.669 12.902 37.744 1.00 0.00 O ATOM 691 CB PRO B 32 -43.480 11.925 40.099 1.00 0.00 C ATOM 692 CG PRO B 32 -42.117 11.248 40.182 1.00 0.00 C ATOM 693 CD PRO B 32 -42.226 9.919 39.460 1.00 0.00 C ATOM 0 HA PRO B 32 -45.161 10.899 38.993 1.00 0.00 H new ATOM 0 HB2 PRO B 32 -43.375 13.006 40.010 1.00 0.00 H new ATOM 0 HB3 PRO B 32 -44.067 11.734 40.997 1.00 0.00 H new ATOM 0 HG2 PRO B 32 -41.350 11.872 39.723 1.00 0.00 H new ATOM 0 HG3 PRO B 32 -41.826 11.097 41.222 1.00 0.00 H new ATOM 0 HD2 PRO B 32 -41.277 9.613 39.020 1.00 0.00 H new ATOM 0 HD3 PRO B 32 -42.542 9.116 40.126 1.00 0.00 H new ATOM 701 N SER B 33 -43.538 12.906 37.014 1.00 0.00 N ATOM 702 CA SER B 33 -43.777 13.853 35.887 1.00 0.00 C ATOM 703 C SER B 33 -42.702 13.675 34.775 1.00 0.00 C ATOM 704 O SER B 33 -42.931 12.912 33.835 1.00 0.00 O ATOM 705 CB SER B 33 -43.983 15.320 36.367 1.00 0.00 C ATOM 706 OG SER B 33 -42.844 15.838 37.064 1.00 0.00 O ATOM 0 H SER B 33 -42.559 12.643 37.131 1.00 0.00 H new ATOM 0 HA SER B 33 -44.730 13.597 35.423 1.00 0.00 H new ATOM 0 HB2 SER B 33 -44.196 15.953 35.506 1.00 0.00 H new ATOM 0 HB3 SER B 33 -44.855 15.366 37.020 1.00 0.00 H new ATOM 0 HG SER B 33 -43.023 16.760 37.342 1.00 0.00 H new