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 Set 1.1: B 21 ASN : amide:sc= 0.173 X(o=0.37,f=0) USER MOD Set 1.2: B 24 THR OG1 : rot 127:sc= 0.201 USER MOD Single : B 8 LYS NZ :NH3+ 170:sc= 1.2 (180deg=1.03) USER MOD Single : B 10 MET CE :methyl 142:sc= -1.6 (180deg=-4.17!) USER MOD Single : B 11 SER OG : rot -159:sc= 0.0102 USER MOD Single : B 13 SER OG : rot 180:sc= 0 USER MOD Single : B 14 SER OG : rot 37:sc= 0.723 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 22 HIS : no HE2:sc= 0.652 K(o=0.65,f=-3.4!) USER MOD Single : B 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 27 SER OG : rot 29:sc= 0.0111 USER MOD Single : B 28 GLN : amide:sc= -0.0461 X(o=-0.046,f=-0.0088) USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 186 N LEU B 2 -35.999 13.337 38.818 1.00 0.00 N ATOM 187 CA LEU B 2 -37.268 13.106 39.611 1.00 0.00 C ATOM 188 C LEU B 2 -37.443 13.830 41.017 1.00 0.00 C ATOM 189 O LEU B 2 -36.593 14.664 41.349 1.00 0.00 O ATOM 190 CB LEU B 2 -37.606 11.578 39.545 1.00 0.00 C ATOM 191 CG LEU B 2 -36.723 10.650 40.412 1.00 0.00 C ATOM 192 CD1 LEU B 2 -37.491 10.207 41.643 1.00 0.00 C ATOM 193 CD2 LEU B 2 -36.258 9.415 39.629 1.00 0.00 C ATOM 0 HA LEU B 2 -38.059 13.674 39.121 1.00 0.00 H new ATOM 0 HB2 LEU B 2 -38.645 11.443 39.845 1.00 0.00 H new ATOM 0 HB3 LEU B 2 -37.530 11.254 38.507 1.00 0.00 H new ATOM 0 HG LEU B 2 -35.840 11.217 40.708 1.00 0.00 H new ATOM 0 HD11 LEU B 2 -36.863 9.554 42.248 1.00 0.00 H new ATOM 0 HD12 LEU B 2 -37.776 11.081 42.228 1.00 0.00 H new ATOM 0 HD13 LEU B 2 -38.387 9.667 41.338 1.00 0.00 H new ATOM 0 HD21 LEU B 2 -35.640 8.788 40.272 1.00 0.00 H new ATOM 0 HD22 LEU B 2 -37.127 8.848 39.295 1.00 0.00 H new ATOM 0 HD23 LEU B 2 -35.676 9.731 38.763 1.00 0.00 H new ATOM 205 N PRO B 3 -38.500 13.607 41.861 1.00 0.00 N ATOM 206 CA PRO B 3 -38.569 14.212 43.219 1.00 0.00 C ATOM 207 C PRO B 3 -37.782 13.534 44.412 1.00 0.00 C ATOM 208 O PRO B 3 -37.424 12.350 44.327 1.00 0.00 O ATOM 209 CB PRO B 3 -40.089 14.359 43.431 1.00 0.00 C ATOM 210 CG PRO B 3 -40.808 13.919 42.163 1.00 0.00 C ATOM 211 CD PRO B 3 -39.799 13.054 41.432 1.00 0.00 C ATOM 0 HA PRO B 3 -38.010 15.147 43.245 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -40.412 13.753 44.277 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -40.339 15.394 43.666 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -41.715 13.360 42.395 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -41.107 14.776 41.559 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -39.898 12.003 41.705 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -39.925 13.116 40.351 1.00 0.00 H new ATOM 219 N PRO B 4 -37.490 14.235 45.552 1.00 0.00 N ATOM 220 CA PRO B 4 -36.689 13.664 46.671 1.00 0.00 C ATOM 221 C PRO B 4 -37.428 12.578 47.525 1.00 0.00 C ATOM 222 O PRO B 4 -38.600 12.716 47.890 1.00 0.00 O ATOM 223 CB PRO B 4 -36.318 14.933 47.465 1.00 0.00 C ATOM 224 CG PRO B 4 -37.479 15.902 47.232 1.00 0.00 C ATOM 225 CD PRO B 4 -37.904 15.635 45.789 1.00 0.00 C ATOM 0 HA PRO B 4 -35.829 13.090 46.326 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -36.195 14.713 48.525 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -35.376 15.355 47.116 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -38.297 15.719 47.929 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -37.168 16.937 47.371 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -38.979 15.762 45.659 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -37.416 16.319 45.095 1.00 0.00 H new ATOM 233 N GLY B 5 -36.719 11.479 47.821 1.00 0.00 N ATOM 234 CA GLY B 5 -37.343 10.273 48.443 1.00 0.00 C ATOM 235 C GLY B 5 -37.946 9.169 47.540 1.00 0.00 C ATOM 236 O GLY B 5 -38.395 8.157 48.079 1.00 0.00 O ATOM 0 H GLY B 5 -35.718 11.388 47.646 1.00 0.00 H new ATOM 0 HA2 GLY B 5 -36.587 9.803 49.071 1.00 0.00 H new ATOM 0 HA3 GLY B 5 -38.136 10.621 49.105 1.00 0.00 H new ATOM 240 N TRP B 6 -37.981 9.317 46.212 1.00 0.00 N ATOM 241 CA TRP B 6 -38.539 8.326 45.289 1.00 0.00 C ATOM 242 C TRP B 6 -37.463 7.406 44.630 1.00 0.00 C ATOM 243 O TRP B 6 -36.265 7.706 44.624 1.00 0.00 O ATOM 244 CB TRP B 6 -39.130 9.280 44.228 1.00 0.00 C ATOM 245 CG TRP B 6 -40.515 9.856 44.439 1.00 0.00 C ATOM 246 CD1 TRP B 6 -40.752 11.192 44.757 1.00 0.00 C ATOM 247 CD2 TRP B 6 -41.725 9.326 44.081 1.00 0.00 C ATOM 248 NE1 TRP B 6 -42.119 11.514 44.675 1.00 0.00 N ATOM 249 CE2 TRP B 6 -42.704 10.339 44.245 1.00 0.00 C ATOM 250 CE3 TRP B 6 -42.042 8.111 43.428 1.00 0.00 C ATOM 251 CZ2 TRP B 6 -44.008 10.140 43.748 1.00 0.00 C ATOM 252 CZ3 TRP B 6 -43.367 7.903 43.041 1.00 0.00 C ATOM 253 CH2 TRP B 6 -44.331 8.908 43.182 1.00 0.00 C ATOM 0 H TRP B 6 -37.615 10.144 45.741 1.00 0.00 H new ATOM 0 HA TRP B 6 -39.223 7.624 45.766 1.00 0.00 H new ATOM 0 HB2 TRP B 6 -38.440 10.117 44.119 1.00 0.00 H new ATOM 0 HB3 TRP B 6 -39.138 8.748 43.277 1.00 0.00 H new ATOM 0 HD1 TRP B 6 -39.980 11.895 45.033 1.00 0.00 H new ATOM 0 HE1 TRP B 6 -42.571 12.404 44.884 1.00 0.00 H new ATOM 0 HE3 TRP B 6 -41.282 7.368 43.235 1.00 0.00 H new ATOM 0 HZ2 TRP B 6 -44.744 10.928 43.805 1.00 0.00 H new ATOM 0 HZ3 TRP B 6 -43.654 6.949 42.625 1.00 0.00 H new ATOM 0 HH2 TRP B 6 -45.341 8.726 42.847 1.00 0.00 H new ATOM 264 N GLU B 7 -37.922 6.343 43.951 1.00 0.00 N ATOM 265 CA GLU B 7 -37.321 5.897 42.675 1.00 0.00 C ATOM 266 C GLU B 7 -38.291 4.846 42.026 1.00 0.00 C ATOM 267 O GLU B 7 -39.159 4.233 42.664 1.00 0.00 O ATOM 268 CB GLU B 7 -35.856 5.359 42.819 1.00 0.00 C ATOM 269 CG GLU B 7 -34.737 6.250 42.229 1.00 0.00 C ATOM 270 CD GLU B 7 -34.585 6.307 40.722 1.00 0.00 C ATOM 271 OE1 GLU B 7 -35.363 5.681 39.974 1.00 0.00 O ATOM 272 OE2 GLU B 7 -33.656 7.006 40.277 1.00 0.00 O ATOM 0 H GLU B 7 -38.709 5.773 44.261 1.00 0.00 H new ATOM 0 HA GLU B 7 -37.213 6.760 42.018 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -35.650 5.208 43.879 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -35.802 4.381 42.341 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -34.899 7.267 42.586 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -33.788 5.913 42.647 1.00 0.00 H new ATOM 279 N LYS B 8 -38.065 4.570 40.743 1.00 0.00 N ATOM 280 CA LYS B 8 -38.636 3.367 40.070 1.00 0.00 C ATOM 281 C LYS B 8 -38.048 1.998 40.586 1.00 0.00 C ATOM 282 O LYS B 8 -36.833 1.825 40.745 1.00 0.00 O ATOM 283 CB LYS B 8 -38.731 3.552 38.528 1.00 0.00 C ATOM 284 CG LYS B 8 -37.472 3.905 37.707 1.00 0.00 C ATOM 285 CD LYS B 8 -36.534 2.705 37.437 1.00 0.00 C ATOM 286 CE LYS B 8 -35.066 3.104 37.212 1.00 0.00 C ATOM 287 NZ LYS B 8 -34.482 3.582 38.513 1.00 0.00 N ATOM 0 H LYS B 8 -37.492 5.154 40.134 1.00 0.00 H new ATOM 0 HA LYS B 8 -39.675 3.282 40.388 1.00 0.00 H new ATOM 0 HB2 LYS B 8 -39.136 2.628 38.116 1.00 0.00 H new ATOM 0 HB3 LYS B 8 -39.468 4.334 38.341 1.00 0.00 H new ATOM 0 HG2 LYS B 8 -37.782 4.331 36.753 1.00 0.00 H new ATOM 0 HG3 LYS B 8 -36.913 4.677 38.235 1.00 0.00 H new ATOM 0 HD2 LYS B 8 -36.589 2.016 38.280 1.00 0.00 H new ATOM 0 HD3 LYS B 8 -36.893 2.165 36.561 1.00 0.00 H new ATOM 0 HE2 LYS B 8 -34.498 2.253 36.835 1.00 0.00 H new ATOM 0 HE3 LYS B 8 -35.001 3.890 36.459 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 -33.453 3.692 38.412 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 -34.905 4.497 38.768 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 -34.684 2.887 39.260 1.00 0.00 H new ATOM 301 N ARG B 9 -38.940 1.050 40.917 1.00 0.00 N ATOM 302 CA ARG B 9 -38.594 -0.329 41.348 1.00 0.00 C ATOM 303 C ARG B 9 -38.808 -1.317 40.131 1.00 0.00 C ATOM 304 O ARG B 9 -38.700 -0.923 38.965 1.00 0.00 O ATOM 305 CB ARG B 9 -39.469 -0.603 42.623 1.00 0.00 C ATOM 306 CG ARG B 9 -39.360 0.327 43.857 1.00 0.00 C ATOM 307 CD ARG B 9 -38.108 0.115 44.730 1.00 0.00 C ATOM 308 NE ARG B 9 -37.797 1.378 45.464 1.00 0.00 N ATOM 309 CZ ARG B 9 -37.075 2.381 44.963 1.00 0.00 C ATOM 310 NH1 ARG B 9 -36.492 2.338 43.800 1.00 0.00 N ATOM 311 NH2 ARG B 9 -36.949 3.462 45.655 1.00 0.00 N ATOM 0 H ARG B 9 -39.946 1.217 40.894 1.00 0.00 H new ATOM 0 HA ARG B 9 -37.550 -0.475 41.627 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -40.512 -0.599 42.306 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -39.242 -1.615 42.960 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -39.373 1.362 43.514 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -40.245 0.185 44.478 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -38.277 -0.697 45.437 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -37.262 -0.175 44.107 1.00 0.00 H new ATOM 0 HE ARG B 9 -38.161 1.480 46.411 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -36.575 1.504 43.218 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -35.952 3.138 43.470 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -37.397 3.538 46.568 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -36.401 4.241 45.289 1.00 0.00 H new ATOM 325 N MET B 10 -39.085 -2.602 40.383 1.00 0.00 N ATOM 326 CA MET B 10 -39.245 -3.651 39.329 1.00 0.00 C ATOM 327 C MET B 10 -40.502 -4.584 39.516 1.00 0.00 C ATOM 328 O MET B 10 -41.021 -4.786 40.613 1.00 0.00 O ATOM 329 CB MET B 10 -37.883 -4.353 39.056 1.00 0.00 C ATOM 330 CG MET B 10 -37.432 -5.534 39.937 1.00 0.00 C ATOM 331 SD MET B 10 -37.113 -5.063 41.648 1.00 0.00 S ATOM 332 CE MET B 10 -38.741 -5.344 42.356 1.00 0.00 C ATOM 0 H MET B 10 -39.209 -2.962 41.329 1.00 0.00 H new ATOM 0 HA MET B 10 -39.512 -3.158 38.394 1.00 0.00 H new ATOM 0 HB2 MET B 10 -37.902 -4.707 38.025 1.00 0.00 H new ATOM 0 HB3 MET B 10 -37.107 -3.589 39.116 1.00 0.00 H new ATOM 0 HG2 MET B 10 -38.200 -6.308 39.917 1.00 0.00 H new ATOM 0 HG3 MET B 10 -36.528 -5.971 39.513 1.00 0.00 H new ATOM 0 HE1 MET B 10 -38.635 -5.761 43.358 1.00 0.00 H new ATOM 0 HE2 MET B 10 -39.282 -4.399 42.411 1.00 0.00 H new ATOM 0 HE3 MET B 10 -39.295 -6.043 41.729 1.00 0.00 H new ATOM 342 N SER B 11 -41.012 -5.141 38.419 1.00 0.00 N ATOM 343 CA SER B 11 -42.221 -6.031 38.412 1.00 0.00 C ATOM 344 C SER B 11 -41.919 -7.474 37.880 1.00 0.00 C ATOM 345 O SER B 11 -41.046 -7.676 37.026 1.00 0.00 O ATOM 346 CB SER B 11 -43.360 -5.333 37.636 1.00 0.00 C ATOM 347 OG SER B 11 -44.624 -5.778 38.129 1.00 0.00 O ATOM 0 H SER B 11 -40.611 -5.000 37.492 1.00 0.00 H new ATOM 0 HA SER B 11 -42.542 -6.184 39.442 1.00 0.00 H new ATOM 0 HB2 SER B 11 -43.277 -4.252 37.745 1.00 0.00 H new ATOM 0 HB3 SER B 11 -43.276 -5.554 36.572 1.00 0.00 H new ATOM 0 HG SER B 11 -45.315 -5.614 37.454 1.00 0.00 H new ATOM 353 N ARG B 12 -42.609 -8.496 38.433 1.00 0.00 N ATOM 354 CA ARG B 12 -42.222 -9.944 38.268 1.00 0.00 C ATOM 355 C ARG B 12 -40.743 -10.363 38.625 1.00 0.00 C ATOM 356 O ARG B 12 -40.119 -11.154 37.912 1.00 0.00 O ATOM 357 CB ARG B 12 -42.741 -10.496 36.902 1.00 0.00 C ATOM 358 CG ARG B 12 -44.267 -10.733 36.853 1.00 0.00 C ATOM 359 CD ARG B 12 -44.825 -10.888 35.428 1.00 0.00 C ATOM 360 NE ARG B 12 -46.279 -10.603 35.463 1.00 0.00 N ATOM 361 CZ ARG B 12 -47.280 -11.483 35.485 1.00 0.00 C ATOM 362 NH1 ARG B 12 -47.132 -12.749 35.433 1.00 0.00 N ATOM 363 NH2 ARG B 12 -48.486 -11.063 35.627 1.00 0.00 N ATOM 0 H ARG B 12 -43.444 -8.359 39.003 1.00 0.00 H new ATOM 0 HA ARG B 12 -42.744 -10.456 39.076 1.00 0.00 H new ATOM 0 HB2 ARG B 12 -42.468 -9.796 36.113 1.00 0.00 H new ATOM 0 HB3 ARG B 12 -42.232 -11.435 36.685 1.00 0.00 H new ATOM 0 HG2 ARG B 12 -44.505 -11.629 37.426 1.00 0.00 H new ATOM 0 HG3 ARG B 12 -44.771 -9.899 37.342 1.00 0.00 H new ATOM 0 HD2 ARG B 12 -44.320 -10.203 34.746 1.00 0.00 H new ATOM 0 HD3 ARG B 12 -44.645 -11.897 35.058 1.00 0.00 H new ATOM 0 HE ARG B 12 -46.545 -9.618 35.471 1.00 0.00 H new ATOM 0 HH11 ARG B 12 -46.197 -13.151 35.370 1.00 0.00 H new ATOM 0 HH12 ARG B 12 -47.949 -13.359 35.455 1.00 0.00 H new ATOM 0 HH21 ARG B 12 -48.670 -10.064 35.722 1.00 0.00 H new ATOM 0 HH22 ARG B 12 -49.259 -11.728 35.645 1.00 0.00 H new ATOM 377 N SER B 13 -40.210 -9.894 39.773 1.00 0.00 N ATOM 378 CA SER B 13 -38.807 -10.172 40.239 1.00 0.00 C ATOM 379 C SER B 13 -37.654 -9.505 39.410 1.00 0.00 C ATOM 380 O SER B 13 -36.921 -8.670 39.941 1.00 0.00 O ATOM 381 CB SER B 13 -38.550 -11.669 40.568 1.00 0.00 C ATOM 382 OG SER B 13 -39.507 -12.174 41.499 1.00 0.00 O ATOM 0 H SER B 13 -40.735 -9.305 40.419 1.00 0.00 H new ATOM 0 HA SER B 13 -38.758 -9.637 41.187 1.00 0.00 H new ATOM 0 HB2 SER B 13 -38.590 -12.256 39.650 1.00 0.00 H new ATOM 0 HB3 SER B 13 -37.547 -11.785 40.978 1.00 0.00 H new ATOM 0 HG SER B 13 -39.318 -13.118 41.683 1.00 0.00 H new ATOM 388 N SER B 14 -37.489 -9.865 38.128 1.00 0.00 N ATOM 389 CA SER B 14 -36.533 -9.206 37.199 1.00 0.00 C ATOM 390 C SER B 14 -37.140 -9.172 35.757 1.00 0.00 C ATOM 391 O SER B 14 -36.963 -10.118 34.979 1.00 0.00 O ATOM 392 CB SER B 14 -35.161 -9.927 37.271 1.00 0.00 C ATOM 393 OG SER B 14 -35.222 -11.264 36.765 1.00 0.00 O ATOM 0 H SER B 14 -38.014 -10.625 37.696 1.00 0.00 H new ATOM 0 HA SER B 14 -36.362 -8.170 37.492 1.00 0.00 H new ATOM 0 HB2 SER B 14 -34.425 -9.359 36.702 1.00 0.00 H new ATOM 0 HB3 SER B 14 -34.818 -9.948 38.305 1.00 0.00 H new ATOM 0 HG SER B 14 -35.834 -11.297 36.000 1.00 0.00 H new ATOM 399 N GLY B 15 -37.880 -8.107 35.406 1.00 0.00 N ATOM 400 CA GLY B 15 -38.617 -8.062 34.110 1.00 0.00 C ATOM 401 C GLY B 15 -39.205 -6.696 33.702 1.00 0.00 C ATOM 402 O GLY B 15 -38.789 -6.124 32.692 1.00 0.00 O ATOM 0 H GLY B 15 -37.990 -7.273 35.983 1.00 0.00 H new ATOM 0 HA2 GLY B 15 -37.941 -8.392 33.321 1.00 0.00 H new ATOM 0 HA3 GLY B 15 -39.432 -8.785 34.155 1.00 0.00 H new ATOM 406 N ARG B 16 -40.222 -6.215 34.433 1.00 0.00 N ATOM 407 CA ARG B 16 -40.837 -4.869 34.205 1.00 0.00 C ATOM 408 C ARG B 16 -40.583 -3.862 35.382 1.00 0.00 C ATOM 409 O ARG B 16 -39.544 -3.924 36.042 1.00 0.00 O ATOM 410 CB ARG B 16 -42.315 -5.114 33.715 1.00 0.00 C ATOM 411 CG ARG B 16 -42.605 -4.685 32.253 1.00 0.00 C ATOM 412 CD ARG B 16 -41.759 -5.480 31.241 1.00 0.00 C ATOM 413 NE ARG B 16 -42.092 -5.101 29.840 1.00 0.00 N ATOM 414 CZ ARG B 16 -41.310 -5.314 28.784 1.00 0.00 C ATOM 415 NH1 ARG B 16 -40.126 -5.860 28.857 1.00 0.00 N ATOM 416 NH2 ARG B 16 -41.744 -4.957 27.618 1.00 0.00 N ATOM 0 H ARG B 16 -40.650 -6.734 35.199 1.00 0.00 H new ATOM 0 HA ARG B 16 -40.345 -4.312 33.408 1.00 0.00 H new ATOM 0 HB2 ARG B 16 -42.544 -6.175 33.818 1.00 0.00 H new ATOM 0 HB3 ARG B 16 -42.994 -4.576 34.376 1.00 0.00 H new ATOM 0 HG2 ARG B 16 -43.663 -4.831 32.035 1.00 0.00 H new ATOM 0 HG3 ARG B 16 -42.400 -3.620 32.140 1.00 0.00 H new ATOM 0 HD2 ARG B 16 -40.700 -5.299 31.427 1.00 0.00 H new ATOM 0 HD3 ARG B 16 -41.929 -6.548 31.381 1.00 0.00 H new ATOM 0 HE ARG B 16 -42.989 -4.643 29.677 1.00 0.00 H new ATOM 0 HH11 ARG B 16 -39.753 -6.150 29.761 1.00 0.00 H new ATOM 0 HH12 ARG B 16 -39.574 -5.997 28.010 1.00 0.00 H new ATOM 0 HH21 ARG B 16 -42.663 -4.525 27.526 1.00 0.00 H new ATOM 0 HH22 ARG B 16 -41.167 -5.108 26.791 1.00 0.00 H new ATOM 430 N VAL B 17 -41.473 -2.885 35.606 1.00 0.00 N ATOM 431 CA VAL B 17 -41.184 -1.652 36.408 1.00 0.00 C ATOM 432 C VAL B 17 -42.437 -1.203 37.223 1.00 0.00 C ATOM 433 O VAL B 17 -43.548 -1.141 36.689 1.00 0.00 O ATOM 434 CB VAL B 17 -40.589 -0.526 35.490 1.00 0.00 C ATOM 435 CG1 VAL B 17 -41.443 -0.166 34.255 1.00 0.00 C ATOM 436 CG2 VAL B 17 -40.248 0.786 36.232 1.00 0.00 C ATOM 0 H VAL B 17 -42.425 -2.913 35.240 1.00 0.00 H new ATOM 0 HA VAL B 17 -40.418 -1.878 37.150 1.00 0.00 H new ATOM 0 HB VAL B 17 -39.668 -0.998 35.147 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -40.947 0.621 33.686 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -41.563 -1.048 33.626 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -42.423 0.184 34.580 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -39.843 1.509 35.524 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -41.151 1.191 36.688 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -39.509 0.584 37.007 1.00 0.00 H new ATOM 446 N TYR B 18 -42.239 -0.788 38.487 1.00 0.00 N ATOM 447 CA TYR B 18 -43.202 0.135 39.169 1.00 0.00 C ATOM 448 C TYR B 18 -42.504 1.435 39.726 1.00 0.00 C ATOM 449 O TYR B 18 -41.303 1.650 39.545 1.00 0.00 O ATOM 450 CB TYR B 18 -44.090 -0.708 40.134 1.00 0.00 C ATOM 451 CG TYR B 18 -43.487 -1.160 41.469 1.00 0.00 C ATOM 452 CD1 TYR B 18 -42.790 -2.365 41.540 1.00 0.00 C ATOM 453 CD2 TYR B 18 -43.667 -0.401 42.628 1.00 0.00 C ATOM 454 CE1 TYR B 18 -42.259 -2.801 42.752 1.00 0.00 C ATOM 455 CE2 TYR B 18 -43.126 -0.830 43.837 1.00 0.00 C ATOM 456 CZ TYR B 18 -42.426 -2.031 43.901 1.00 0.00 C ATOM 457 OH TYR B 18 -41.895 -2.447 45.089 1.00 0.00 O ATOM 0 H TYR B 18 -41.441 -1.063 39.059 1.00 0.00 H new ATOM 0 HA TYR B 18 -43.903 0.587 38.467 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -44.986 -0.127 40.354 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -44.412 -1.600 39.596 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -42.661 -2.964 40.651 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -44.227 0.521 42.586 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -41.719 -3.735 42.801 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -43.250 -0.230 44.726 1.00 0.00 H new ATOM 0 HH TYR B 18 -42.103 -1.792 45.788 1.00 0.00 H new ATOM 467 N TYR B 19 -43.254 2.324 40.389 1.00 0.00 N ATOM 468 CA TYR B 19 -42.721 3.535 41.086 1.00 0.00 C ATOM 469 C TYR B 19 -43.055 3.513 42.615 1.00 0.00 C ATOM 470 O TYR B 19 -44.060 2.954 43.064 1.00 0.00 O ATOM 471 CB TYR B 19 -43.252 4.808 40.369 1.00 0.00 C ATOM 472 CG TYR B 19 -42.334 5.434 39.306 1.00 0.00 C ATOM 473 CD1 TYR B 19 -41.388 6.398 39.676 1.00 0.00 C ATOM 474 CD2 TYR B 19 -42.479 5.102 37.955 1.00 0.00 C ATOM 475 CE1 TYR B 19 -40.585 7.005 38.713 1.00 0.00 C ATOM 476 CE2 TYR B 19 -41.683 5.720 36.990 1.00 0.00 C ATOM 477 CZ TYR B 19 -40.734 6.665 37.372 1.00 0.00 C ATOM 478 OH TYR B 19 -39.909 7.230 36.438 1.00 0.00 O ATOM 0 H TYR B 19 -44.267 2.234 40.466 1.00 0.00 H new ATOM 0 HA TYR B 19 -41.633 3.541 41.027 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -44.202 4.561 39.895 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -43.460 5.564 41.127 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -41.280 6.673 40.715 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -43.210 4.365 37.658 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -39.848 7.738 39.007 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -41.803 5.466 35.947 1.00 0.00 H new ATOM 0 HH TYR B 19 -40.140 6.889 35.549 1.00 0.00 H new ATOM 488 N PHE B 20 -42.182 4.110 43.444 1.00 0.00 N ATOM 489 CA PHE B 20 -42.340 4.070 44.930 1.00 0.00 C ATOM 490 C PHE B 20 -41.815 5.374 45.611 1.00 0.00 C ATOM 491 O PHE B 20 -40.648 5.747 45.447 1.00 0.00 O ATOM 492 CB PHE B 20 -41.656 2.783 45.485 1.00 0.00 C ATOM 493 CG PHE B 20 -42.006 2.457 46.954 1.00 0.00 C ATOM 494 CD1 PHE B 20 -41.314 3.058 47.995 1.00 0.00 C ATOM 495 CD2 PHE B 20 -43.077 1.627 47.247 1.00 0.00 C ATOM 496 CE1 PHE B 20 -41.703 2.856 49.315 1.00 0.00 C ATOM 497 CE2 PHE B 20 -43.471 1.414 48.564 1.00 0.00 C ATOM 498 CZ PHE B 20 -42.794 2.018 49.655 1.00 0.00 C ATOM 0 H PHE B 20 -41.362 4.625 43.125 1.00 0.00 H new ATOM 0 HA PHE B 20 -43.401 4.026 45.174 1.00 0.00 H new ATOM 0 HB2 PHE B 20 -41.941 1.937 44.860 1.00 0.00 H new ATOM 0 HB3 PHE B 20 -40.575 2.894 45.398 1.00 0.00 H new ATOM 0 HD1 PHE B 20 -40.465 3.689 47.778 1.00 0.00 H new ATOM 0 HD2 PHE B 20 -43.611 1.141 46.444 1.00 0.00 H new ATOM 0 HE1 PHE B 20 -41.158 3.352 50.104 1.00 0.00 H new ATOM 0 HE2 PHE B 20 -44.316 0.771 48.762 1.00 0.00 H new ATOM 0 HZ PHE B 20 -43.091 1.850 50.680 1.00 0.00 H new ATOM 508 N ASN B 21 -42.665 6.018 46.425 1.00 0.00 N ATOM 509 CA ASN B 21 -42.269 7.158 47.298 1.00 0.00 C ATOM 510 C ASN B 21 -41.923 6.655 48.744 1.00 0.00 C ATOM 511 O ASN B 21 -42.775 6.033 49.377 1.00 0.00 O ATOM 512 CB ASN B 21 -43.486 8.137 47.320 1.00 0.00 C ATOM 513 CG ASN B 21 -43.305 9.605 47.722 1.00 0.00 C ATOM 514 OD1 ASN B 21 -44.134 10.453 47.418 1.00 0.00 O ATOM 515 ND2 ASN B 21 -42.294 9.975 48.459 1.00 0.00 N ATOM 0 H ASN B 21 -43.651 5.770 46.504 1.00 0.00 H new ATOM 0 HA ASN B 21 -41.376 7.655 46.920 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -43.921 8.130 46.321 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -44.229 7.710 47.994 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -42.213 10.945 48.763 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -41.585 9.294 48.731 1.00 0.00 H new ATOM 522 N HIS B 22 -40.733 6.951 49.298 1.00 0.00 N ATOM 523 CA HIS B 22 -40.379 6.558 50.706 1.00 0.00 C ATOM 524 C HIS B 22 -40.864 7.527 51.838 1.00 0.00 C ATOM 525 O HIS B 22 -41.300 7.043 52.882 1.00 0.00 O ATOM 526 CB HIS B 22 -38.852 6.280 50.816 1.00 0.00 C ATOM 527 CG HIS B 22 -38.396 4.964 50.195 1.00 0.00 C ATOM 528 ND1 HIS B 22 -38.376 3.771 50.881 1.00 0.00 N ATOM 529 CD2 HIS B 22 -38.006 4.756 48.864 1.00 0.00 C ATOM 530 CE1 HIS B 22 -37.984 2.919 49.888 1.00 0.00 C ATOM 531 NE2 HIS B 22 -37.739 3.409 48.626 1.00 0.00 N ATOM 0 H HIS B 22 -39.994 7.457 48.810 1.00 0.00 H new ATOM 0 HA HIS B 22 -40.947 5.646 50.892 1.00 0.00 H new ATOM 0 HB2 HIS B 22 -38.313 7.098 50.338 1.00 0.00 H new ATOM 0 HB3 HIS B 22 -38.571 6.286 51.869 1.00 0.00 H new ATOM 0 HD1 HIS B 22 -38.593 3.577 51.859 1.00 0.00 H new ATOM 0 HD2 HIS B 22 -37.924 5.536 48.122 1.00 0.00 H new ATOM 0 HE1 HIS B 22 -37.867 1.865 50.093 1.00 0.00 H new ATOM 539 N ILE B 23 -40.797 8.863 51.667 1.00 0.00 N ATOM 540 CA ILE B 23 -41.309 9.851 52.686 1.00 0.00 C ATOM 541 C ILE B 23 -42.865 9.754 52.927 1.00 0.00 C ATOM 542 O ILE B 23 -43.310 9.648 54.070 1.00 0.00 O ATOM 543 CB ILE B 23 -40.817 11.314 52.359 1.00 0.00 C ATOM 544 CG1 ILE B 23 -39.307 11.484 52.006 1.00 0.00 C ATOM 545 CG2 ILE B 23 -41.181 12.337 53.468 1.00 0.00 C ATOM 546 CD1 ILE B 23 -38.289 10.954 53.035 1.00 0.00 C ATOM 0 H ILE B 23 -40.396 9.300 50.837 1.00 0.00 H new ATOM 0 HA ILE B 23 -40.869 9.574 53.644 1.00 0.00 H new ATOM 0 HB ILE B 23 -41.371 11.523 51.444 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -39.122 10.983 51.056 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -39.112 12.545 51.850 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -40.816 13.325 53.186 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -42.264 12.371 53.590 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -40.719 12.035 54.408 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -37.277 11.133 52.671 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -38.429 11.470 53.985 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -38.440 9.884 53.178 1.00 0.00 H new ATOM 558 N THR B 24 -43.676 9.746 51.856 1.00 0.00 N ATOM 559 CA THR B 24 -45.101 9.282 51.899 1.00 0.00 C ATOM 560 C THR B 24 -45.308 7.772 52.319 1.00 0.00 C ATOM 561 O THR B 24 -46.201 7.461 53.106 1.00 0.00 O ATOM 562 CB THR B 24 -45.704 9.563 50.481 1.00 0.00 C ATOM 563 OG1 THR B 24 -45.582 10.935 50.113 1.00 0.00 O ATOM 564 CG2 THR B 24 -47.187 9.219 50.322 1.00 0.00 C ATOM 0 H THR B 24 -43.377 10.057 50.932 1.00 0.00 H new ATOM 0 HA THR B 24 -45.614 9.832 52.688 1.00 0.00 H new ATOM 0 HB THR B 24 -45.117 8.905 49.841 1.00 0.00 H new ATOM 0 HG1 THR B 24 -45.141 11.002 49.240 1.00 0.00 H new ATOM 0 HG21 THR B 24 -47.507 9.450 49.306 1.00 0.00 H new ATOM 0 HG22 THR B 24 -47.337 8.157 50.517 1.00 0.00 H new ATOM 0 HG23 THR B 24 -47.774 9.805 51.029 1.00 0.00 H new ATOM 572 N ASN B 25 -44.527 6.855 51.716 1.00 0.00 N ATOM 573 CA ASN B 25 -44.696 5.372 51.791 1.00 0.00 C ATOM 574 C ASN B 25 -45.873 4.857 50.887 1.00 0.00 C ATOM 575 O ASN B 25 -46.892 4.367 51.383 1.00 0.00 O ATOM 576 CB ASN B 25 -44.630 4.834 53.250 1.00 0.00 C ATOM 577 CG ASN B 25 -44.353 3.336 53.362 1.00 0.00 C ATOM 578 OD1 ASN B 25 -43.220 2.875 53.313 1.00 0.00 O ATOM 579 ND2 ASN B 25 -45.367 2.522 53.483 1.00 0.00 N ATOM 0 H ASN B 25 -43.730 7.126 51.140 1.00 0.00 H new ATOM 0 HA ASN B 25 -43.824 4.904 51.333 1.00 0.00 H new ATOM 0 HB2 ASN B 25 -43.852 5.375 53.788 1.00 0.00 H new ATOM 0 HB3 ASN B 25 -45.574 5.054 53.748 1.00 0.00 H new ATOM 0 HD21 ASN B 25 -45.210 1.516 53.535 1.00 0.00 H new ATOM 0 HD22 ASN B 25 -46.316 2.893 53.525 1.00 0.00 H new ATOM 586 N ALA B 26 -45.722 4.969 49.551 1.00 0.00 N ATOM 587 CA ALA B 26 -46.789 4.609 48.581 1.00 0.00 C ATOM 588 C ALA B 26 -46.229 3.834 47.347 1.00 0.00 C ATOM 589 O ALA B 26 -45.374 4.344 46.612 1.00 0.00 O ATOM 590 CB ALA B 26 -47.484 5.921 48.162 1.00 0.00 C ATOM 0 H ALA B 26 -44.866 5.308 49.112 1.00 0.00 H new ATOM 0 HA ALA B 26 -47.502 3.930 49.048 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -48.277 5.701 47.447 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -47.911 6.403 49.041 1.00 0.00 H new ATOM 0 HB3 ALA B 26 -46.755 6.588 47.701 1.00 0.00 H new ATOM 596 N SER B 27 -46.754 2.624 47.092 1.00 0.00 N ATOM 597 CA SER B 27 -46.541 1.901 45.808 1.00 0.00 C ATOM 598 C SER B 27 -47.525 2.359 44.690 1.00 0.00 C ATOM 599 O SER B 27 -48.745 2.364 44.859 1.00 0.00 O ATOM 600 CB SER B 27 -46.646 0.375 46.040 1.00 0.00 C ATOM 601 OG SER B 27 -47.901 -0.030 46.604 1.00 0.00 O ATOM 0 H SER B 27 -47.335 2.115 47.758 1.00 0.00 H new ATOM 0 HA SER B 27 -45.539 2.147 45.457 1.00 0.00 H new ATOM 0 HB2 SER B 27 -46.499 -0.140 45.091 1.00 0.00 H new ATOM 0 HB3 SER B 27 -45.840 0.059 46.702 1.00 0.00 H new ATOM 0 HG SER B 27 -48.602 0.596 46.326 1.00 0.00 H new ATOM 607 N GLN B 28 -46.971 2.725 43.536 1.00 0.00 N ATOM 608 CA GLN B 28 -47.749 3.058 42.308 1.00 0.00 C ATOM 609 C GLN B 28 -46.974 2.595 41.024 1.00 0.00 C ATOM 610 O GLN B 28 -45.943 1.926 41.106 1.00 0.00 O ATOM 611 CB GLN B 28 -48.193 4.547 42.384 1.00 0.00 C ATOM 612 CG GLN B 28 -47.098 5.633 42.203 1.00 0.00 C ATOM 613 CD GLN B 28 -47.535 7.023 42.661 1.00 0.00 C ATOM 614 OE1 GLN B 28 -47.297 7.442 43.788 1.00 0.00 O ATOM 615 NE2 GLN B 28 -48.187 7.791 41.830 1.00 0.00 N ATOM 0 H GLN B 28 -45.962 2.805 43.409 1.00 0.00 H new ATOM 0 HA GLN B 28 -48.681 2.498 42.239 1.00 0.00 H new ATOM 0 HB2 GLN B 28 -48.956 4.709 41.623 1.00 0.00 H new ATOM 0 HB3 GLN B 28 -48.668 4.707 43.352 1.00 0.00 H new ATOM 0 HG2 GLN B 28 -46.210 5.338 42.761 1.00 0.00 H new ATOM 0 HG3 GLN B 28 -46.813 5.679 41.152 1.00 0.00 H new ATOM 0 HE21 GLN B 28 -48.395 7.461 40.887 1.00 0.00 H new ATOM 0 HE22 GLN B 28 -48.488 8.720 42.124 1.00 0.00 H new ATOM 624 N TRP B 29 -47.470 2.882 39.817 1.00 0.00 N ATOM 625 CA TRP B 29 -46.703 2.672 38.539 1.00 0.00 C ATOM 626 C TRP B 29 -46.322 3.992 37.765 1.00 0.00 C ATOM 627 O TRP B 29 -45.794 3.916 36.651 1.00 0.00 O ATOM 628 CB TRP B 29 -47.510 1.679 37.646 1.00 0.00 C ATOM 629 CG TRP B 29 -47.464 0.193 37.982 1.00 0.00 C ATOM 630 CD1 TRP B 29 -47.693 -0.363 39.243 1.00 0.00 C ATOM 631 CD2 TRP B 29 -47.084 -0.871 37.167 1.00 0.00 C ATOM 632 NE1 TRP B 29 -47.408 -1.720 39.268 1.00 0.00 N ATOM 633 CE2 TRP B 29 -47.038 -2.020 37.980 1.00 0.00 C ATOM 634 CE3 TRP B 29 -46.724 -0.954 35.789 1.00 0.00 C ATOM 635 CZ2 TRP B 29 -46.612 -3.248 37.453 1.00 0.00 C ATOM 636 CZ3 TRP B 29 -46.349 -2.201 35.274 1.00 0.00 C ATOM 637 CH2 TRP B 29 -46.303 -3.335 36.097 1.00 0.00 C ATOM 0 H TRP B 29 -48.405 3.264 39.675 1.00 0.00 H new ATOM 0 HA TRP B 29 -45.733 2.252 38.804 1.00 0.00 H new ATOM 0 HB2 TRP B 29 -48.554 1.990 37.665 1.00 0.00 H new ATOM 0 HB3 TRP B 29 -47.161 1.797 36.620 1.00 0.00 H new ATOM 0 HD1 TRP B 29 -48.049 0.196 40.095 1.00 0.00 H new ATOM 0 HE1 TRP B 29 -47.461 -2.354 40.065 1.00 0.00 H new ATOM 0 HE3 TRP B 29 -46.740 -0.077 35.159 1.00 0.00 H new ATOM 0 HZ2 TRP B 29 -46.525 -4.116 38.090 1.00 0.00 H new ATOM 0 HZ3 TRP B 29 -46.092 -2.290 34.229 1.00 0.00 H new ATOM 0 HH2 TRP B 29 -46.024 -4.289 35.674 1.00 0.00 H new ATOM 648 N GLU B 30 -46.540 5.187 38.339 1.00 0.00 N ATOM 649 CA GLU B 30 -46.622 6.455 37.582 1.00 0.00 C ATOM 650 C GLU B 30 -45.386 7.367 37.839 1.00 0.00 C ATOM 651 O GLU B 30 -44.836 7.463 38.942 1.00 0.00 O ATOM 652 CB GLU B 30 -47.938 7.206 37.952 1.00 0.00 C ATOM 653 CG GLU B 30 -49.294 6.446 37.830 1.00 0.00 C ATOM 654 CD GLU B 30 -49.711 5.672 39.067 1.00 0.00 C ATOM 655 OE1 GLU B 30 -50.030 6.320 40.082 1.00 0.00 O ATOM 656 OE2 GLU B 30 -49.712 4.426 39.044 1.00 0.00 O ATOM 0 H GLU B 30 -46.665 5.305 39.344 1.00 0.00 H new ATOM 0 HA GLU B 30 -46.628 6.211 36.520 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -47.844 7.550 38.982 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -47.999 8.094 37.323 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -50.076 7.166 37.590 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -49.230 5.753 36.991 1.00 0.00 H new ATOM 663 N ARG B 31 -44.985 8.100 36.795 1.00 0.00 N ATOM 664 CA ARG B 31 -43.901 9.105 36.889 1.00 0.00 C ATOM 665 C ARG B 31 -44.429 10.466 37.481 1.00 0.00 C ATOM 666 O ARG B 31 -45.112 11.171 36.730 1.00 0.00 O ATOM 667 CB ARG B 31 -43.311 9.201 35.456 1.00 0.00 C ATOM 668 CG ARG B 31 -41.996 10.012 35.325 1.00 0.00 C ATOM 669 CD ARG B 31 -41.608 10.298 33.858 1.00 0.00 C ATOM 670 NE ARG B 31 -42.500 11.371 33.335 1.00 0.00 N ATOM 671 CZ ARG B 31 -42.653 11.732 32.072 1.00 0.00 C ATOM 672 NH1 ARG B 31 -42.061 11.153 31.070 1.00 0.00 N ATOM 673 NH2 ARG B 31 -43.433 12.732 31.836 1.00 0.00 N ATOM 0 H ARG B 31 -45.394 8.021 35.864 1.00 0.00 H new ATOM 0 HA ARG B 31 -43.114 8.822 37.588 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -43.132 8.191 35.088 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -44.060 9.650 34.804 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -42.104 10.957 35.858 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -41.188 9.464 35.809 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -40.565 10.608 33.795 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -41.709 9.395 33.256 1.00 0.00 H new ATOM 0 HE ARG B 31 -43.051 11.882 34.025 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -41.432 10.367 31.234 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -42.226 11.485 30.120 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -43.900 13.208 32.608 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -43.582 13.047 30.877 1.00 0.00 H new ATOM 687 N PRO B 32 -44.129 10.911 38.748 1.00 0.00 N ATOM 688 CA PRO B 32 -44.718 12.154 39.356 1.00 0.00 C ATOM 689 C PRO B 32 -44.745 13.482 38.526 1.00 0.00 C ATOM 690 O PRO B 32 -45.699 14.256 38.608 1.00 0.00 O ATOM 691 CB PRO B 32 -43.902 12.325 40.665 1.00 0.00 C ATOM 692 CG PRO B 32 -42.820 11.248 40.627 1.00 0.00 C ATOM 693 CD PRO B 32 -43.360 10.138 39.741 1.00 0.00 C ATOM 0 HA PRO B 32 -45.791 11.997 39.464 1.00 0.00 H new ATOM 0 HB2 PRO B 32 -43.461 13.320 40.723 1.00 0.00 H new ATOM 0 HB3 PRO B 32 -44.540 12.207 41.541 1.00 0.00 H new ATOM 0 HG2 PRO B 32 -41.888 11.647 40.227 1.00 0.00 H new ATOM 0 HG3 PRO B 32 -42.605 10.877 41.629 1.00 0.00 H new ATOM 0 HD2 PRO B 32 -42.563 9.555 39.280 1.00 0.00 H new ATOM 0 HD3 PRO B 32 -43.988 9.439 40.294 1.00 0.00 H new ATOM 701 N SER B 33 -43.678 13.730 37.750 1.00 0.00 N ATOM 702 CA SER B 33 -43.638 14.848 36.765 1.00 0.00 C ATOM 703 C SER B 33 -42.648 14.480 35.613 1.00 0.00 C ATOM 704 O SER B 33 -43.073 13.898 34.610 1.00 0.00 O ATOM 705 CB SER B 33 -43.398 16.206 37.485 1.00 0.00 C ATOM 706 OG SER B 33 -43.310 17.274 36.540 1.00 0.00 O ATOM 0 H SER B 33 -42.823 13.175 37.778 1.00 0.00 H new ATOM 0 HA SER B 33 -44.601 14.991 36.276 1.00 0.00 H new ATOM 0 HB2 SER B 33 -44.211 16.400 38.185 1.00 0.00 H new ATOM 0 HB3 SER B 33 -42.479 16.155 38.069 1.00 0.00 H new ATOM 0 HG SER B 33 -43.161 18.119 37.014 1.00 0.00 H new