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+ -177:sc= 1.01 (180deg=1) USER MOD Single : B 10 MET CE :methyl 143:sc= -1.47 (180deg=-4.11!) USER MOD Single : B 11 SER OG : rot 158:sc= 0.0346 USER MOD Single : B 13 SER OG : rot 180:sc= 0 USER MOD Single : B 14 SER OG : rot 28:sc= 0.58 USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 TYR OH : rot 121:sc= -0.415 USER MOD Single : B 21 ASN : amide:sc=-0.00541 X(o=-0.0054,f=0) USER MOD Single : B 22 HIS : no HE2:sc= 0 K(o=0,f=-0.94) USER MOD Single : B 24 THR OG1 : rot 180:sc= 0 USER MOD Single : B 25 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : B 27 SER OG : rot 31:sc= 0.264 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 -36.024 13.727 39.693 1.00 0.00 N ATOM 187 CA LEU B 2 -37.357 13.390 40.294 1.00 0.00 C ATOM 188 C LEU B 2 -37.337 13.719 41.843 1.00 0.00 C ATOM 189 O LEU B 2 -36.244 13.927 42.392 1.00 0.00 O ATOM 190 CB LEU B 2 -37.726 11.900 39.990 1.00 0.00 C ATOM 191 CG LEU B 2 -36.869 10.824 40.707 1.00 0.00 C ATOM 192 CD1 LEU B 2 -37.685 10.148 41.811 1.00 0.00 C ATOM 193 CD2 LEU B 2 -36.323 9.764 39.740 1.00 0.00 C ATOM 0 HA LEU B 2 -38.139 14.001 39.843 1.00 0.00 H new ATOM 0 HB2 LEU B 2 -38.770 11.743 40.261 1.00 0.00 H new ATOM 0 HB3 LEU B 2 -37.648 11.740 38.915 1.00 0.00 H new ATOM 0 HG LEU B 2 -36.012 11.339 41.142 1.00 0.00 H new ATOM 0 HD11 LEU B 2 -37.073 9.395 42.307 1.00 0.00 H new ATOM 0 HD12 LEU B 2 -38.001 10.895 42.539 1.00 0.00 H new ATOM 0 HD13 LEU B 2 -38.563 9.672 41.375 1.00 0.00 H new ATOM 0 HD21 LEU B 2 -35.731 9.036 40.295 1.00 0.00 H new ATOM 0 HD22 LEU B 2 -37.154 9.257 39.249 1.00 0.00 H new ATOM 0 HD23 LEU B 2 -35.696 10.245 38.989 1.00 0.00 H new ATOM 205 N PRO B 3 -38.468 13.741 42.603 1.00 0.00 N ATOM 206 CA PRO B 3 -38.426 14.027 44.065 1.00 0.00 C ATOM 207 C PRO B 3 -37.549 13.212 45.097 1.00 0.00 C ATOM 208 O PRO B 3 -37.264 12.029 44.877 1.00 0.00 O ATOM 209 CB PRO B 3 -39.912 14.064 44.438 1.00 0.00 C ATOM 210 CG PRO B 3 -40.693 13.547 43.242 1.00 0.00 C ATOM 211 CD PRO B 3 -39.832 13.834 42.034 1.00 0.00 C ATOM 0 HA PRO B 3 -37.836 14.937 44.178 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -40.103 13.448 45.317 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -40.220 15.079 44.688 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -40.891 12.479 43.336 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -41.659 14.045 43.161 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -39.992 13.109 41.236 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -40.033 14.819 41.614 1.00 0.00 H new ATOM 219 N PRO B 4 -37.128 13.810 46.258 1.00 0.00 N ATOM 220 CA PRO B 4 -36.238 13.141 47.242 1.00 0.00 C ATOM 221 C PRO B 4 -36.996 12.162 48.196 1.00 0.00 C ATOM 222 O PRO B 4 -38.102 12.437 48.673 1.00 0.00 O ATOM 223 CB PRO B 4 -35.628 14.362 47.957 1.00 0.00 C ATOM 224 CG PRO B 4 -36.741 15.414 47.974 1.00 0.00 C ATOM 225 CD PRO B 4 -37.508 15.177 46.671 1.00 0.00 C ATOM 0 HA PRO B 4 -35.497 12.477 46.798 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -35.310 14.108 48.968 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -34.748 14.728 47.429 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -37.388 15.294 48.843 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -36.333 16.424 48.017 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -38.584 15.260 46.824 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -37.236 15.910 45.912 1.00 0.00 H new ATOM 233 N GLY B 5 -36.395 10.994 48.441 1.00 0.00 N ATOM 234 CA GLY B 5 -37.141 9.843 49.024 1.00 0.00 C ATOM 235 C GLY B 5 -37.976 8.943 48.077 1.00 0.00 C ATOM 236 O GLY B 5 -38.776 8.153 48.580 1.00 0.00 O ATOM 0 H GLY B 5 -35.410 10.808 48.253 1.00 0.00 H new ATOM 0 HA2 GLY B 5 -36.419 9.206 49.535 1.00 0.00 H new ATOM 0 HA3 GLY B 5 -37.814 10.237 49.785 1.00 0.00 H new ATOM 240 N TRP B 6 -37.769 8.984 46.753 1.00 0.00 N ATOM 241 CA TRP B 6 -38.266 7.988 45.798 1.00 0.00 C ATOM 242 C TRP B 6 -37.148 7.021 45.307 1.00 0.00 C ATOM 243 O TRP B 6 -35.964 7.379 45.298 1.00 0.00 O ATOM 244 CB TRP B 6 -38.697 8.921 44.641 1.00 0.00 C ATOM 245 CG TRP B 6 -40.118 9.452 44.716 1.00 0.00 C ATOM 246 CD1 TRP B 6 -40.512 10.714 45.179 1.00 0.00 C ATOM 247 CD2 TRP B 6 -41.260 8.828 44.304 1.00 0.00 C ATOM 248 NE1 TRP B 6 -41.903 10.880 45.130 1.00 0.00 N ATOM 249 CE2 TRP B 6 -42.347 9.697 44.575 1.00 0.00 C ATOM 250 CE3 TRP B 6 -41.455 7.613 43.601 1.00 0.00 C ATOM 251 CZ2 TRP B 6 -43.642 9.353 44.158 1.00 0.00 C ATOM 252 CZ3 TRP B 6 -42.770 7.250 43.297 1.00 0.00 C ATOM 253 CH2 TRP B 6 -43.845 8.106 43.567 1.00 0.00 C ATOM 0 H TRP B 6 -37.237 9.731 46.307 1.00 0.00 H new ATOM 0 HA TRP B 6 -39.036 7.333 46.206 1.00 0.00 H new ATOM 0 HB2 TRP B 6 -38.013 9.769 44.609 1.00 0.00 H new ATOM 0 HB3 TRP B 6 -38.580 8.382 43.701 1.00 0.00 H new ATOM 0 HD1 TRP B 6 -39.826 11.469 45.532 1.00 0.00 H new ATOM 0 HE1 TRP B 6 -42.455 11.683 45.432 1.00 0.00 H new ATOM 0 HE3 TRP B 6 -40.620 6.992 43.312 1.00 0.00 H new ATOM 0 HZ2 TRP B 6 -44.465 10.040 44.292 1.00 0.00 H new ATOM 0 HZ3 TRP B 6 -42.961 6.288 42.844 1.00 0.00 H new ATOM 0 HH2 TRP B 6 -44.848 7.795 43.313 1.00 0.00 H new ATOM 264 N GLU B 7 -37.528 5.844 44.770 1.00 0.00 N ATOM 265 CA GLU B 7 -36.713 5.163 43.745 1.00 0.00 C ATOM 266 C GLU B 7 -37.558 4.088 42.973 1.00 0.00 C ATOM 267 O GLU B 7 -38.510 3.482 43.478 1.00 0.00 O ATOM 268 CB GLU B 7 -35.404 4.553 44.360 1.00 0.00 C ATOM 269 CG GLU B 7 -34.098 4.743 43.541 1.00 0.00 C ATOM 270 CD GLU B 7 -33.943 3.955 42.262 1.00 0.00 C ATOM 271 OE1 GLU B 7 -33.543 2.772 42.303 1.00 0.00 O ATOM 272 OE2 GLU B 7 -34.211 4.508 41.179 1.00 0.00 O ATOM 0 H GLU B 7 -38.383 5.351 45.025 1.00 0.00 H new ATOM 0 HA GLU B 7 -36.399 5.912 43.017 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -35.254 4.991 45.347 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -35.562 3.485 44.507 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -34.009 5.801 43.294 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -33.258 4.495 44.190 1.00 0.00 H new ATOM 279 N LYS B 8 -37.154 3.811 41.732 1.00 0.00 N ATOM 280 CA LYS B 8 -37.626 2.613 40.971 1.00 0.00 C ATOM 281 C LYS B 8 -37.172 1.222 41.545 1.00 0.00 C ATOM 282 O LYS B 8 -36.031 1.027 41.977 1.00 0.00 O ATOM 283 CB LYS B 8 -37.495 2.802 39.431 1.00 0.00 C ATOM 284 CG LYS B 8 -36.106 3.025 38.795 1.00 0.00 C ATOM 285 CD LYS B 8 -35.224 1.757 38.709 1.00 0.00 C ATOM 286 CE LYS B 8 -33.756 2.041 38.353 1.00 0.00 C ATOM 287 NZ LYS B 8 -33.060 2.667 39.515 1.00 0.00 N ATOM 0 H LYS B 8 -36.496 4.394 41.214 1.00 0.00 H new ATOM 0 HA LYS B 8 -38.700 2.555 41.150 1.00 0.00 H new ATOM 0 HB2 LYS B 8 -37.930 1.921 38.958 1.00 0.00 H new ATOM 0 HB3 LYS B 8 -38.118 3.653 39.155 1.00 0.00 H new ATOM 0 HG2 LYS B 8 -36.241 3.426 37.790 1.00 0.00 H new ATOM 0 HG3 LYS B 8 -35.575 3.782 39.371 1.00 0.00 H new ATOM 0 HD2 LYS B 8 -35.261 1.235 39.665 1.00 0.00 H new ATOM 0 HD3 LYS B 8 -35.645 1.084 37.962 1.00 0.00 H new ATOM 0 HE2 LYS B 8 -33.255 1.114 38.075 1.00 0.00 H new ATOM 0 HE3 LYS B 8 -33.705 2.703 37.488 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 -32.083 2.902 39.249 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 -33.561 3.535 39.793 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 -33.051 2.001 40.314 1.00 0.00 H new ATOM 301 N ARG B 9 -38.107 0.262 41.606 1.00 0.00 N ATOM 302 CA ARG B 9 -37.881 -1.111 42.129 1.00 0.00 C ATOM 303 C ARG B 9 -38.175 -2.138 40.962 1.00 0.00 C ATOM 304 O ARG B 9 -38.008 -1.816 39.781 1.00 0.00 O ATOM 305 CB ARG B 9 -38.770 -1.240 43.412 1.00 0.00 C ATOM 306 CG ARG B 9 -38.688 -0.193 44.565 1.00 0.00 C ATOM 307 CD ARG B 9 -37.442 -0.195 45.469 1.00 0.00 C ATOM 308 NE ARG B 9 -36.283 0.426 44.770 1.00 0.00 N ATOM 309 CZ ARG B 9 -35.107 0.710 45.310 1.00 0.00 C ATOM 310 NH1 ARG B 9 -34.844 0.583 46.577 1.00 0.00 N ATOM 311 NH2 ARG B 9 -34.170 1.154 44.541 1.00 0.00 N ATOM 0 H ARG B 9 -39.065 0.413 41.289 1.00 0.00 H new ATOM 0 HA ARG B 9 -36.857 -1.328 42.435 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -39.807 -1.264 43.078 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -38.554 -2.214 43.851 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -38.773 0.798 44.120 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -39.561 -0.332 45.203 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -37.653 0.351 46.389 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -37.195 -1.218 45.754 1.00 0.00 H new ATOM 0 HE ARG B 9 -36.406 0.654 43.783 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -35.565 0.248 47.216 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -33.917 0.819 46.932 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -34.345 1.278 43.544 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -33.255 1.381 44.931 1.00 0.00 H new ATOM 325 N MET B 10 -38.600 -3.378 41.254 1.00 0.00 N ATOM 326 CA MET B 10 -38.864 -4.433 40.222 1.00 0.00 C ATOM 327 C MET B 10 -40.253 -5.167 40.356 1.00 0.00 C ATOM 328 O MET B 10 -40.804 -5.356 41.440 1.00 0.00 O ATOM 329 CB MET B 10 -37.603 -5.320 40.010 1.00 0.00 C ATOM 330 CG MET B 10 -37.363 -6.555 40.896 1.00 0.00 C ATOM 331 SD MET B 10 -37.025 -6.139 42.617 1.00 0.00 S ATOM 332 CE MET B 10 -38.697 -6.173 43.271 1.00 0.00 C ATOM 0 H MET B 10 -38.775 -3.692 42.208 1.00 0.00 H new ATOM 0 HA MET B 10 -39.022 -3.935 39.266 1.00 0.00 H new ATOM 0 HB2 MET B 10 -37.621 -5.664 38.976 1.00 0.00 H new ATOM 0 HB3 MET B 10 -36.732 -4.673 40.116 1.00 0.00 H new ATOM 0 HG2 MET B 10 -38.239 -7.202 40.851 1.00 0.00 H new ATOM 0 HG3 MET B 10 -36.524 -7.124 40.495 1.00 0.00 H new ATOM 0 HE1 MET B 10 -38.685 -6.586 44.280 1.00 0.00 H new ATOM 0 HE2 MET B 10 -39.098 -5.160 43.298 1.00 0.00 H new ATOM 0 HE3 MET B 10 -39.325 -6.794 42.632 1.00 0.00 H new ATOM 342 N SER B 11 -40.849 -5.559 39.229 1.00 0.00 N ATOM 343 CA SER B 11 -42.140 -6.321 39.199 1.00 0.00 C ATOM 344 C SER B 11 -41.948 -7.875 39.210 1.00 0.00 C ATOM 345 O SER B 11 -40.938 -8.398 38.726 1.00 0.00 O ATOM 346 CB SER B 11 -42.993 -5.855 37.998 1.00 0.00 C ATOM 347 OG SER B 11 -44.353 -6.268 38.187 1.00 0.00 O ATOM 0 H SER B 11 -40.467 -5.367 38.303 1.00 0.00 H new ATOM 0 HA SER B 11 -42.672 -6.096 40.124 1.00 0.00 H new ATOM 0 HB2 SER B 11 -42.941 -4.771 37.901 1.00 0.00 H new ATOM 0 HB3 SER B 11 -42.599 -6.277 37.073 1.00 0.00 H new ATOM 0 HG SER B 11 -44.945 -5.701 37.650 1.00 0.00 H new ATOM 353 N ARG B 12 -42.914 -8.616 39.792 1.00 0.00 N ATOM 354 CA ARG B 12 -42.818 -10.105 39.998 1.00 0.00 C ATOM 355 C ARG B 12 -41.613 -10.662 40.857 1.00 0.00 C ATOM 356 O ARG B 12 -41.221 -11.820 40.687 1.00 0.00 O ATOM 357 CB ARG B 12 -42.957 -10.862 38.637 1.00 0.00 C ATOM 358 CG ARG B 12 -44.269 -10.657 37.848 1.00 0.00 C ATOM 359 CD ARG B 12 -44.206 -11.333 36.468 1.00 0.00 C ATOM 360 NE ARG B 12 -45.463 -11.033 35.738 1.00 0.00 N ATOM 361 CZ ARG B 12 -46.402 -11.891 35.373 1.00 0.00 C ATOM 362 NH1 ARG B 12 -46.351 -13.156 35.593 1.00 0.00 N ATOM 363 NH2 ARG B 12 -47.459 -11.430 34.810 1.00 0.00 N ATOM 0 H ARG B 12 -43.786 -8.215 40.137 1.00 0.00 H new ATOM 0 HA ARG B 12 -43.669 -10.317 40.646 1.00 0.00 H new ATOM 0 HB2 ARG B 12 -42.127 -10.562 37.997 1.00 0.00 H new ATOM 0 HB3 ARG B 12 -42.842 -11.929 38.830 1.00 0.00 H new ATOM 0 HG2 ARG B 12 -45.105 -11.065 38.417 1.00 0.00 H new ATOM 0 HG3 ARG B 12 -44.458 -9.591 37.724 1.00 0.00 H new ATOM 0 HD2 ARG B 12 -43.346 -10.968 35.907 1.00 0.00 H new ATOM 0 HD3 ARG B 12 -44.081 -12.410 36.579 1.00 0.00 H new ATOM 0 HE ARG B 12 -45.621 -10.056 35.490 1.00 0.00 H new ATOM 0 HH11 ARG B 12 -45.549 -13.557 36.078 1.00 0.00 H new ATOM 0 HH12 ARG B 12 -47.113 -13.759 35.283 1.00 0.00 H new ATOM 0 HH21 ARG B 12 -47.558 -10.427 34.655 1.00 0.00 H new ATOM 0 HH22 ARG B 12 -48.200 -12.067 34.518 1.00 0.00 H new ATOM 377 N SER B 13 -40.998 -9.865 41.755 1.00 0.00 N ATOM 378 CA SER B 13 -39.642 -10.149 42.338 1.00 0.00 C ATOM 379 C SER B 13 -38.402 -10.087 41.369 1.00 0.00 C ATOM 380 O SER B 13 -37.338 -9.625 41.786 1.00 0.00 O ATOM 381 CB SER B 13 -39.625 -11.395 43.259 1.00 0.00 C ATOM 382 OG SER B 13 -38.448 -11.414 44.071 1.00 0.00 O ATOM 0 H SER B 13 -41.416 -9.003 42.105 1.00 0.00 H new ATOM 0 HA SER B 13 -39.483 -9.270 42.962 1.00 0.00 H new ATOM 0 HB2 SER B 13 -40.510 -11.394 43.895 1.00 0.00 H new ATOM 0 HB3 SER B 13 -39.668 -12.300 42.653 1.00 0.00 H new ATOM 0 HG SER B 13 -38.459 -12.208 44.645 1.00 0.00 H new ATOM 388 N SER B 14 -38.510 -10.550 40.112 1.00 0.00 N ATOM 389 CA SER B 14 -37.458 -10.393 39.071 1.00 0.00 C ATOM 390 C SER B 14 -38.096 -10.341 37.640 1.00 0.00 C ATOM 391 O SER B 14 -38.566 -11.367 37.132 1.00 0.00 O ATOM 392 CB SER B 14 -36.414 -11.536 39.193 1.00 0.00 C ATOM 393 OG SER B 14 -36.978 -12.819 38.904 1.00 0.00 O ATOM 0 H SER B 14 -39.334 -11.050 39.778 1.00 0.00 H new ATOM 0 HA SER B 14 -36.941 -9.446 39.229 1.00 0.00 H new ATOM 0 HB2 SER B 14 -35.586 -11.343 38.511 1.00 0.00 H new ATOM 0 HB3 SER B 14 -36.001 -11.542 40.202 1.00 0.00 H new ATOM 0 HG SER B 14 -37.732 -12.713 38.287 1.00 0.00 H new ATOM 399 N GLY B 15 -38.101 -9.175 36.968 1.00 0.00 N ATOM 400 CA GLY B 15 -38.522 -9.095 35.540 1.00 0.00 C ATOM 401 C GLY B 15 -38.665 -7.672 34.963 1.00 0.00 C ATOM 402 O GLY B 15 -37.852 -7.239 34.143 1.00 0.00 O ATOM 0 H GLY B 15 -37.824 -8.282 37.376 1.00 0.00 H new ATOM 0 HA2 GLY B 15 -37.797 -9.641 34.936 1.00 0.00 H new ATOM 0 HA3 GLY B 15 -39.478 -9.608 35.433 1.00 0.00 H new ATOM 406 N ARG B 16 -39.756 -6.978 35.319 1.00 0.00 N ATOM 407 CA ARG B 16 -39.980 -5.546 34.941 1.00 0.00 C ATOM 408 C ARG B 16 -39.760 -4.561 36.144 1.00 0.00 C ATOM 409 O ARG B 16 -38.796 -4.715 36.893 1.00 0.00 O ATOM 410 CB ARG B 16 -41.314 -5.479 34.110 1.00 0.00 C ATOM 411 CG ARG B 16 -41.108 -5.332 32.583 1.00 0.00 C ATOM 412 CD ARG B 16 -40.538 -6.612 31.936 1.00 0.00 C ATOM 413 NE ARG B 16 -39.982 -6.333 30.575 1.00 0.00 N ATOM 414 CZ ARG B 16 -38.686 -6.220 30.279 1.00 0.00 C ATOM 415 NH1 ARG B 16 -37.720 -6.332 31.153 1.00 0.00 N ATOM 416 NH2 ARG B 16 -38.362 -5.985 29.048 1.00 0.00 N ATOM 0 H ARG B 16 -40.513 -7.377 35.874 1.00 0.00 H new ATOM 0 HA ARG B 16 -39.216 -5.154 34.270 1.00 0.00 H new ATOM 0 HB2 ARG B 16 -41.893 -6.383 34.301 1.00 0.00 H new ATOM 0 HB3 ARG B 16 -41.909 -4.638 34.467 1.00 0.00 H new ATOM 0 HG2 ARG B 16 -42.060 -5.085 32.114 1.00 0.00 H new ATOM 0 HG3 ARG B 16 -40.432 -4.499 32.390 1.00 0.00 H new ATOM 0 HD2 ARG B 16 -39.756 -7.026 32.572 1.00 0.00 H new ATOM 0 HD3 ARG B 16 -41.322 -7.365 31.863 1.00 0.00 H new ATOM 0 HE ARG B 16 -40.648 -6.220 29.811 1.00 0.00 H new ATOM 0 HH11 ARG B 16 -37.937 -6.518 32.132 1.00 0.00 H new ATOM 0 HH12 ARG B 16 -36.749 -6.234 30.856 1.00 0.00 H new ATOM 0 HH21 ARG B 16 -39.089 -5.892 28.338 1.00 0.00 H new ATOM 0 HH22 ARG B 16 -37.380 -5.893 28.788 1.00 0.00 H new ATOM 430 N VAL B 17 -40.576 -3.510 36.292 1.00 0.00 N ATOM 431 CA VAL B 17 -40.239 -2.295 37.098 1.00 0.00 C ATOM 432 C VAL B 17 -41.524 -1.713 37.756 1.00 0.00 C ATOM 433 O VAL B 17 -42.513 -1.450 37.069 1.00 0.00 O ATOM 434 CB VAL B 17 -39.430 -1.257 36.243 1.00 0.00 C ATOM 435 CG1 VAL B 17 -40.088 -0.843 34.907 1.00 0.00 C ATOM 436 CG2 VAL B 17 -39.040 0.035 36.998 1.00 0.00 C ATOM 0 H VAL B 17 -41.498 -3.463 35.859 1.00 0.00 H new ATOM 0 HA VAL B 17 -39.575 -2.572 37.917 1.00 0.00 H new ATOM 0 HB VAL B 17 -38.531 -1.833 36.023 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -39.449 -0.124 34.394 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -40.220 -1.724 34.278 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -41.059 -0.389 35.105 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -38.484 0.693 36.330 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -39.942 0.543 37.340 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -38.419 -0.219 37.857 1.00 0.00 H new ATOM 446 N TYR B 18 -41.479 -1.417 39.065 1.00 0.00 N ATOM 447 CA TYR B 18 -42.379 -0.375 39.649 1.00 0.00 C ATOM 448 C TYR B 18 -41.573 0.867 40.165 1.00 0.00 C ATOM 449 O TYR B 18 -40.347 0.955 40.052 1.00 0.00 O ATOM 450 CB TYR B 18 -43.386 -1.035 40.634 1.00 0.00 C ATOM 451 CG TYR B 18 -42.865 -1.434 42.019 1.00 0.00 C ATOM 452 CD1 TYR B 18 -42.268 -2.681 42.188 1.00 0.00 C ATOM 453 CD2 TYR B 18 -43.055 -0.604 43.128 1.00 0.00 C ATOM 454 CE1 TYR B 18 -41.851 -3.097 43.450 1.00 0.00 C ATOM 455 CE2 TYR B 18 -42.649 -1.027 44.392 1.00 0.00 C ATOM 456 CZ TYR B 18 -42.044 -2.270 44.552 1.00 0.00 C ATOM 457 OH TYR B 18 -41.621 -2.673 45.789 1.00 0.00 O ATOM 0 H TYR B 18 -40.852 -1.863 39.734 1.00 0.00 H new ATOM 0 HA TYR B 18 -43.010 0.068 38.879 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -44.219 -0.347 40.774 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -43.787 -1.928 40.156 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -42.128 -3.329 41.336 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -43.516 0.365 43.005 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -41.378 -4.060 43.573 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -42.804 -0.389 45.249 1.00 0.00 H new ATOM 0 HH TYR B 18 -41.831 -1.979 46.449 1.00 0.00 H new ATOM 467 N TYR B 19 -42.277 1.865 40.710 1.00 0.00 N ATOM 468 CA TYR B 19 -41.689 3.159 41.145 1.00 0.00 C ATOM 469 C TYR B 19 -42.316 3.586 42.506 1.00 0.00 C ATOM 470 O TYR B 19 -43.535 3.674 42.672 1.00 0.00 O ATOM 471 CB TYR B 19 -41.777 4.097 39.921 1.00 0.00 C ATOM 472 CG TYR B 19 -41.444 5.576 40.073 1.00 0.00 C ATOM 473 CD1 TYR B 19 -40.138 6.088 40.091 1.00 0.00 C ATOM 474 CD2 TYR B 19 -42.517 6.460 40.043 1.00 0.00 C ATOM 475 CE1 TYR B 19 -39.917 7.457 40.084 1.00 0.00 C ATOM 476 CE2 TYR B 19 -42.293 7.821 40.062 1.00 0.00 C ATOM 477 CZ TYR B 19 -40.992 8.330 40.061 1.00 0.00 C ATOM 478 OH TYR B 19 -40.730 9.671 40.004 1.00 0.00 O ATOM 0 H TYR B 19 -43.283 1.807 40.868 1.00 0.00 H new ATOM 0 HA TYR B 19 -40.631 3.146 41.407 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -41.117 3.693 39.154 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -42.794 4.031 39.534 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -39.297 5.410 40.110 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -43.527 6.080 40.005 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -38.908 7.842 40.096 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -43.132 8.500 40.078 1.00 0.00 H new ATOM 0 HH TYR B 19 -41.142 10.051 39.200 1.00 0.00 H new ATOM 488 N PHE B 20 -41.458 3.746 43.519 1.00 0.00 N ATOM 489 CA PHE B 20 -41.865 3.665 44.948 1.00 0.00 C ATOM 490 C PHE B 20 -41.414 4.908 45.768 1.00 0.00 C ATOM 491 O PHE B 20 -40.232 5.264 45.774 1.00 0.00 O ATOM 492 CB PHE B 20 -41.246 2.349 45.502 1.00 0.00 C ATOM 493 CG PHE B 20 -41.649 1.968 46.941 1.00 0.00 C ATOM 494 CD1 PHE B 20 -42.958 1.633 47.248 1.00 0.00 C ATOM 495 CD2 PHE B 20 -40.704 1.996 47.953 1.00 0.00 C ATOM 496 CE1 PHE B 20 -43.327 1.332 48.554 1.00 0.00 C ATOM 497 CE2 PHE B 20 -41.059 1.691 49.262 1.00 0.00 C ATOM 498 CZ PHE B 20 -42.385 1.338 49.616 1.00 0.00 C ATOM 0 H PHE B 20 -40.465 3.935 43.385 1.00 0.00 H new ATOM 0 HA PHE B 20 -42.951 3.656 45.035 1.00 0.00 H new ATOM 0 HB2 PHE B 20 -41.526 1.531 44.838 1.00 0.00 H new ATOM 0 HB3 PHE B 20 -40.160 2.435 45.460 1.00 0.00 H new ATOM 0 HD1 PHE B 20 -43.700 1.605 46.464 1.00 0.00 H new ATOM 0 HD2 PHE B 20 -39.682 2.257 47.723 1.00 0.00 H new ATOM 0 HE1 PHE B 20 -44.357 1.087 48.766 1.00 0.00 H new ATOM 0 HE2 PHE B 20 -40.302 1.724 50.032 1.00 0.00 H new ATOM 0 HZ PHE B 20 -42.662 1.089 50.630 1.00 0.00 H new ATOM 508 N ASN B 21 -42.335 5.514 46.525 1.00 0.00 N ATOM 509 CA ASN B 21 -41.986 6.536 47.544 1.00 0.00 C ATOM 510 C ASN B 21 -41.600 5.828 48.891 1.00 0.00 C ATOM 511 O ASN B 21 -42.453 5.212 49.535 1.00 0.00 O ATOM 512 CB ASN B 21 -43.194 7.512 47.669 1.00 0.00 C ATOM 513 CG ASN B 21 -42.958 8.956 48.119 1.00 0.00 C ATOM 514 OD1 ASN B 21 -43.717 9.857 47.790 1.00 0.00 O ATOM 515 ND2 ASN B 21 -41.955 9.252 48.897 1.00 0.00 N ATOM 0 H ASN B 21 -43.334 5.320 46.458 1.00 0.00 H new ATOM 0 HA ASN B 21 -41.113 7.122 47.256 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -43.684 7.550 46.696 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -43.903 7.065 48.366 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -41.821 10.212 49.213 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -41.304 8.523 49.189 1.00 0.00 H new ATOM 522 N HIS B 22 -40.329 5.909 49.317 1.00 0.00 N ATOM 523 CA HIS B 22 -39.844 5.260 50.579 1.00 0.00 C ATOM 524 C HIS B 22 -40.271 5.971 51.911 1.00 0.00 C ATOM 525 O HIS B 22 -40.688 5.312 52.864 1.00 0.00 O ATOM 526 CB HIS B 22 -38.291 5.105 50.487 1.00 0.00 C ATOM 527 CG HIS B 22 -37.799 3.759 49.969 1.00 0.00 C ATOM 528 ND1 HIS B 22 -37.680 2.653 50.783 1.00 0.00 N ATOM 529 CD2 HIS B 22 -37.344 3.451 48.676 1.00 0.00 C ATOM 530 CE1 HIS B 22 -37.176 1.745 49.898 1.00 0.00 C ATOM 531 NE2 HIS B 22 -36.931 2.119 48.597 1.00 0.00 N ATOM 0 H HIS B 22 -39.603 6.418 48.813 1.00 0.00 H new ATOM 0 HA HIS B 22 -40.335 4.289 50.643 1.00 0.00 H new ATOM 0 HB2 HIS B 22 -37.902 5.889 49.838 1.00 0.00 H new ATOM 0 HB3 HIS B 22 -37.867 5.271 51.477 1.00 0.00 H new ATOM 0 HD1 HIS B 22 -37.906 2.544 51.772 1.00 0.00 H new ATOM 0 HD2 HIS B 22 -37.317 4.150 47.853 1.00 0.00 H new ATOM 0 HE1 HIS B 22 -36.970 0.734 50.218 1.00 0.00 H new ATOM 539 N ILE B 23 -40.142 7.303 51.974 1.00 0.00 N ATOM 540 CA ILE B 23 -40.570 8.144 53.144 1.00 0.00 C ATOM 541 C ILE B 23 -42.115 8.173 53.439 1.00 0.00 C ATOM 542 O ILE B 23 -42.523 8.088 54.598 1.00 0.00 O ATOM 543 CB ILE B 23 -39.925 9.579 53.034 1.00 0.00 C ATOM 544 CG1 ILE B 23 -40.271 10.334 51.712 1.00 0.00 C ATOM 545 CG2 ILE B 23 -38.394 9.531 53.289 1.00 0.00 C ATOM 546 CD1 ILE B 23 -39.746 11.766 51.556 1.00 0.00 C ATOM 0 H ILE B 23 -39.735 7.851 51.216 1.00 0.00 H new ATOM 0 HA ILE B 23 -40.182 7.648 54.033 1.00 0.00 H new ATOM 0 HB ILE B 23 -40.384 10.170 53.826 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -39.891 9.744 50.878 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -41.356 10.361 51.614 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -37.980 10.536 53.206 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -38.204 9.142 54.289 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -37.922 8.882 52.551 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -40.061 12.166 50.592 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -40.146 12.389 52.356 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -38.657 11.762 51.608 1.00 0.00 H new ATOM 558 N THR B 24 -42.966 8.263 52.404 1.00 0.00 N ATOM 559 CA THR B 24 -44.438 8.017 52.514 1.00 0.00 C ATOM 560 C THR B 24 -44.856 6.509 52.678 1.00 0.00 C ATOM 561 O THR B 24 -45.749 6.215 53.472 1.00 0.00 O ATOM 562 CB THR B 24 -45.095 8.687 51.262 1.00 0.00 C ATOM 563 OG1 THR B 24 -44.921 10.099 51.293 1.00 0.00 O ATOM 564 CG2 THR B 24 -46.602 8.461 51.095 1.00 0.00 C ATOM 0 H THR B 24 -42.666 8.508 51.460 1.00 0.00 H new ATOM 0 HA THR B 24 -44.798 8.459 53.443 1.00 0.00 H new ATOM 0 HB THR B 24 -44.582 8.202 50.432 1.00 0.00 H new ATOM 0 HG1 THR B 24 -45.338 10.497 50.501 1.00 0.00 H new ATOM 0 HG21 THR B 24 -46.949 8.970 50.196 1.00 0.00 H new ATOM 0 HG22 THR B 24 -46.802 7.393 51.008 1.00 0.00 H new ATOM 0 HG23 THR B 24 -47.128 8.859 51.963 1.00 0.00 H new ATOM 572 N ASN B 25 -44.277 5.602 51.867 1.00 0.00 N ATOM 573 CA ASN B 25 -44.772 4.211 51.614 1.00 0.00 C ATOM 574 C ASN B 25 -45.930 4.196 50.552 1.00 0.00 C ATOM 575 O ASN B 25 -47.112 4.109 50.897 1.00 0.00 O ATOM 576 CB ASN B 25 -45.026 3.384 52.911 1.00 0.00 C ATOM 577 CG ASN B 25 -45.189 1.873 52.743 1.00 0.00 C ATOM 578 OD1 ASN B 25 -45.035 1.281 51.683 1.00 0.00 O ATOM 579 ND2 ASN B 25 -45.511 1.183 53.805 1.00 0.00 N ATOM 0 H ASN B 25 -43.424 5.812 51.348 1.00 0.00 H new ATOM 0 HA ASN B 25 -43.958 3.655 51.149 1.00 0.00 H new ATOM 0 HB2 ASN B 25 -44.197 3.562 53.596 1.00 0.00 H new ATOM 0 HB3 ASN B 25 -45.925 3.772 53.391 1.00 0.00 H new ATOM 0 HD21 ASN B 25 -45.629 0.172 53.740 1.00 0.00 H new ATOM 0 HD22 ASN B 25 -45.644 1.655 54.699 1.00 0.00 H new ATOM 586 N ALA B 26 -45.584 4.305 49.253 1.00 0.00 N ATOM 587 CA ALA B 26 -46.580 4.328 48.146 1.00 0.00 C ATOM 588 C ALA B 26 -46.004 3.713 46.829 1.00 0.00 C ATOM 589 O ALA B 26 -45.042 4.238 46.258 1.00 0.00 O ATOM 590 CB ALA B 26 -47.038 5.789 47.941 1.00 0.00 C ATOM 0 H ALA B 26 -44.617 4.379 48.937 1.00 0.00 H new ATOM 0 HA ALA B 26 -47.435 3.708 48.414 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -47.769 5.831 47.134 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -47.491 6.161 48.860 1.00 0.00 H new ATOM 0 HB3 ALA B 26 -46.178 6.407 47.684 1.00 0.00 H new ATOM 596 N SER B 27 -46.596 2.610 46.335 1.00 0.00 N ATOM 597 CA SER B 27 -46.209 1.991 45.034 1.00 0.00 C ATOM 598 C SER B 27 -47.100 2.436 43.839 1.00 0.00 C ATOM 599 O SER B 27 -48.291 2.121 43.764 1.00 0.00 O ATOM 600 CB SER B 27 -46.213 0.455 45.159 1.00 0.00 C ATOM 601 OG SER B 27 -47.502 -0.067 45.497 1.00 0.00 O ATOM 0 H SER B 27 -47.351 2.119 46.814 1.00 0.00 H new ATOM 0 HA SER B 27 -45.203 2.347 44.811 1.00 0.00 H new ATOM 0 HB2 SER B 27 -45.883 0.017 44.217 1.00 0.00 H new ATOM 0 HB3 SER B 27 -45.493 0.154 45.920 1.00 0.00 H new ATOM 0 HG SER B 27 -48.198 0.510 45.119 1.00 0.00 H new ATOM 607 N GLN B 28 -46.460 3.114 42.889 1.00 0.00 N ATOM 608 CA GLN B 28 -47.034 3.408 41.545 1.00 0.00 C ATOM 609 C GLN B 28 -46.094 2.887 40.398 1.00 0.00 C ATOM 610 O GLN B 28 -45.117 2.166 40.630 1.00 0.00 O ATOM 611 CB GLN B 28 -47.424 4.918 41.505 1.00 0.00 C ATOM 612 CG GLN B 28 -46.285 5.964 41.470 1.00 0.00 C ATOM 613 CD GLN B 28 -46.817 7.403 41.490 1.00 0.00 C ATOM 614 OE1 GLN B 28 -47.295 7.914 42.496 1.00 0.00 O ATOM 615 NE2 GLN B 28 -46.765 8.084 40.379 1.00 0.00 N ATOM 0 H GLN B 28 -45.518 3.485 43.015 1.00 0.00 H new ATOM 0 HA GLN B 28 -47.956 2.856 41.361 1.00 0.00 H new ATOM 0 HB2 GLN B 28 -48.050 5.077 40.627 1.00 0.00 H new ATOM 0 HB3 GLN B 28 -48.041 5.126 42.379 1.00 0.00 H new ATOM 0 HG2 GLN B 28 -45.627 5.810 42.325 1.00 0.00 H new ATOM 0 HG3 GLN B 28 -45.684 5.813 40.574 1.00 0.00 H new ATOM 0 HE21 GLN B 28 -46.368 7.661 39.540 1.00 0.00 H new ATOM 0 HE22 GLN B 28 -47.122 9.039 40.349 1.00 0.00 H new ATOM 624 N TRP B 29 -46.427 3.181 39.135 1.00 0.00 N ATOM 625 CA TRP B 29 -45.541 2.881 37.956 1.00 0.00 C ATOM 626 C TRP B 29 -45.123 4.148 37.098 1.00 0.00 C ATOM 627 O TRP B 29 -44.464 3.991 36.067 1.00 0.00 O ATOM 628 CB TRP B 29 -46.219 1.777 37.079 1.00 0.00 C ATOM 629 CG TRP B 29 -46.275 0.326 37.558 1.00 0.00 C ATOM 630 CD1 TRP B 29 -46.708 -0.104 38.817 1.00 0.00 C ATOM 631 CD2 TRP B 29 -45.867 -0.834 36.891 1.00 0.00 C ATOM 632 NE1 TRP B 29 -46.515 -1.466 38.990 1.00 0.00 N ATOM 633 CE2 TRP B 29 -46.004 -1.907 37.794 1.00 0.00 C ATOM 634 CE3 TRP B 29 -45.346 -1.065 35.582 1.00 0.00 C ATOM 635 CZ2 TRP B 29 -45.603 -3.206 37.431 1.00 0.00 C ATOM 636 CZ3 TRP B 29 -44.987 -2.372 35.228 1.00 0.00 C ATOM 637 CH2 TRP B 29 -45.122 -3.427 36.140 1.00 0.00 C ATOM 0 H TRP B 29 -47.307 3.630 38.881 1.00 0.00 H new ATOM 0 HA TRP B 29 -44.594 2.516 38.353 1.00 0.00 H new ATOM 0 HB2 TRP B 29 -47.246 2.096 36.899 1.00 0.00 H new ATOM 0 HB3 TRP B 29 -45.712 1.777 36.114 1.00 0.00 H new ATOM 0 HD1 TRP B 29 -47.140 0.546 39.563 1.00 0.00 H new ATOM 0 HE1 TRP B 29 -46.710 -2.020 39.824 1.00 0.00 H new ATOM 0 HE3 TRP B 29 -45.231 -0.251 34.881 1.00 0.00 H new ATOM 0 HZ2 TRP B 29 -45.666 -4.018 38.140 1.00 0.00 H new ATOM 0 HZ3 TRP B 29 -44.601 -2.569 34.239 1.00 0.00 H new ATOM 0 HH2 TRP B 29 -44.849 -4.428 35.839 1.00 0.00 H new ATOM 648 N GLU B 30 -45.469 5.381 37.516 1.00 0.00 N ATOM 649 CA GLU B 30 -45.444 6.590 36.659 1.00 0.00 C ATOM 650 C GLU B 30 -44.485 7.661 37.233 1.00 0.00 C ATOM 651 O GLU B 30 -43.264 7.490 37.167 1.00 0.00 O ATOM 652 CB GLU B 30 -46.906 6.948 36.215 1.00 0.00 C ATOM 653 CG GLU B 30 -48.011 7.417 37.208 1.00 0.00 C ATOM 654 CD GLU B 30 -48.598 6.426 38.202 1.00 0.00 C ATOM 655 OE1 GLU B 30 -48.313 5.211 38.158 1.00 0.00 O ATOM 656 OE2 GLU B 30 -49.340 6.896 39.082 1.00 0.00 O ATOM 0 H GLU B 30 -45.778 5.571 38.469 1.00 0.00 H new ATOM 0 HA GLU B 30 -44.966 6.438 35.691 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -46.816 7.731 35.462 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -47.300 6.065 35.711 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -47.603 8.250 37.780 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -48.836 7.812 36.615 1.00 0.00 H new ATOM 663 N ARG B 31 -44.998 8.824 37.649 1.00 0.00 N ATOM 664 CA ARG B 31 -44.172 10.042 37.841 1.00 0.00 C ATOM 665 C ARG B 31 -44.898 11.231 38.591 1.00 0.00 C ATOM 666 O ARG B 31 -45.724 11.888 37.948 1.00 0.00 O ATOM 667 CB ARG B 31 -43.578 10.449 36.455 1.00 0.00 C ATOM 668 CG ARG B 31 -42.028 10.410 36.408 1.00 0.00 C ATOM 669 CD ARG B 31 -41.500 10.344 34.966 1.00 0.00 C ATOM 670 NE ARG B 31 -41.709 11.673 34.339 1.00 0.00 N ATOM 671 CZ ARG B 31 -41.427 12.021 33.100 1.00 0.00 C ATOM 672 NH1 ARG B 31 -40.965 11.211 32.195 1.00 0.00 N ATOM 673 NH2 ARG B 31 -41.626 13.251 32.779 1.00 0.00 N ATOM 0 H ARG B 31 -45.986 8.957 37.863 1.00 0.00 H new ATOM 0 HA ARG B 31 -43.364 9.799 38.531 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -43.973 9.781 35.689 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -43.916 11.455 36.206 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -41.627 11.296 36.901 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -41.669 9.545 36.966 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -40.442 10.082 34.959 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -42.024 9.571 34.404 1.00 0.00 H new ATOM 0 HE ARG B 31 -42.116 12.396 34.932 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -40.797 10.232 32.425 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -40.770 11.555 31.255 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -41.987 13.907 33.472 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -41.423 13.570 31.832 1.00 0.00 H new ATOM 687 N PRO B 32 -44.568 11.649 39.862 1.00 0.00 N ATOM 688 CA PRO B 32 -44.875 13.014 40.401 1.00 0.00 C ATOM 689 C PRO B 32 -44.420 14.208 39.480 1.00 0.00 C ATOM 690 O PRO B 32 -45.203 15.111 39.186 1.00 0.00 O ATOM 691 CB PRO B 32 -44.114 13.059 41.762 1.00 0.00 C ATOM 692 CG PRO B 32 -43.063 11.986 41.610 1.00 0.00 C ATOM 693 CD PRO B 32 -43.714 10.905 40.788 1.00 0.00 C ATOM 0 HA PRO B 32 -45.954 13.150 40.480 1.00 0.00 H new ATOM 0 HB2 PRO B 32 -43.667 14.037 41.940 1.00 0.00 H new ATOM 0 HB3 PRO B 32 -44.779 12.854 42.601 1.00 0.00 H new ATOM 0 HG2 PRO B 32 -42.173 12.375 41.115 1.00 0.00 H new ATOM 0 HG3 PRO B 32 -42.747 11.605 42.581 1.00 0.00 H new ATOM 0 HD2 PRO B 32 -42.975 10.304 40.258 1.00 0.00 H new ATOM 0 HD3 PRO B 32 -44.294 10.223 41.409 1.00 0.00 H new ATOM 701 N SER B 33 -43.171 14.169 38.962 1.00 0.00 N ATOM 702 CA SER B 33 -42.716 15.032 37.833 1.00 0.00 C ATOM 703 C SER B 33 -43.239 14.565 36.426 1.00 0.00 C ATOM 704 O SER B 33 -42.518 14.111 35.533 1.00 0.00 O ATOM 705 CB SER B 33 -41.182 15.084 37.866 1.00 0.00 C ATOM 706 OG SER B 33 -40.649 15.588 39.096 1.00 0.00 O ATOM 0 H SER B 33 -42.446 13.541 39.310 1.00 0.00 H new ATOM 0 HA SER B 33 -43.143 16.025 37.971 1.00 0.00 H new ATOM 0 HB2 SER B 33 -40.790 14.082 37.694 1.00 0.00 H new ATOM 0 HB3 SER B 33 -40.831 15.709 37.045 1.00 0.00 H new ATOM 0 HG SER B 33 -39.670 15.593 39.051 1.00 0.00 H new