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+ 161:sc= 1.29 (180deg=0.706) USER MOD Single : B 10 MET CE :methyl 141:sc= -0.567 (180deg=-4.17!) USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD Single : B 13 SER OG : rot 180:sc= 0 USER MOD Single : B 14 SER OG : rot 7:sc= 1.18 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= -0.0186 X(o=-0.019,f=0) USER MOD Single : B 22 HIS : no HE2:sc= 0.197 K(o=0.2,f=-2.7!) 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 -104:sc= 0.492 USER MOD Single : B 28 GLN : amide:sc= -0.247 X(o=-0.25,f=0) USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 186 N LEU B 2 -36.639 12.938 37.886 1.00 0.00 N ATOM 187 CA LEU B 2 -37.896 13.156 38.675 1.00 0.00 C ATOM 188 C LEU B 2 -37.737 13.701 40.155 1.00 0.00 C ATOM 189 O LEU B 2 -36.609 13.710 40.659 1.00 0.00 O ATOM 190 CB LEU B 2 -38.637 11.779 38.662 1.00 0.00 C ATOM 191 CG LEU B 2 -37.958 10.662 39.494 1.00 0.00 C ATOM 192 CD1 LEU B 2 -38.813 10.302 40.698 1.00 0.00 C ATOM 193 CD2 LEU B 2 -37.630 9.404 38.675 1.00 0.00 C ATOM 0 HA LEU B 2 -38.448 13.967 38.200 1.00 0.00 H new ATOM 0 HB2 LEU B 2 -39.650 11.925 39.036 1.00 0.00 H new ATOM 0 HB3 LEU B 2 -38.724 11.440 37.630 1.00 0.00 H new ATOM 0 HG LEU B 2 -37.004 11.068 39.831 1.00 0.00 H new ATOM 0 HD11 LEU B 2 -38.321 9.516 41.271 1.00 0.00 H new ATOM 0 HD12 LEU B 2 -38.944 11.182 41.327 1.00 0.00 H new ATOM 0 HD13 LEU B 2 -39.787 9.949 40.360 1.00 0.00 H new ATOM 0 HD21 LEU B 2 -37.157 8.663 39.320 1.00 0.00 H new ATOM 0 HD22 LEU B 2 -38.549 8.990 38.260 1.00 0.00 H new ATOM 0 HD23 LEU B 2 -36.951 9.665 37.863 1.00 0.00 H new ATOM 205 N PRO B 3 -38.800 14.079 40.914 1.00 0.00 N ATOM 206 CA PRO B 3 -38.648 14.652 42.279 1.00 0.00 C ATOM 207 C PRO B 3 -37.719 14.034 43.404 1.00 0.00 C ATOM 208 O PRO B 3 -37.389 12.838 43.367 1.00 0.00 O ATOM 209 CB PRO B 3 -40.118 14.912 42.678 1.00 0.00 C ATOM 210 CG PRO B 3 -40.997 14.277 41.612 1.00 0.00 C ATOM 211 CD PRO B 3 -40.139 14.384 40.363 1.00 0.00 C ATOM 0 HA PRO B 3 -37.985 15.514 42.207 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -40.332 14.483 43.657 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -40.313 15.982 42.749 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -41.238 13.241 41.850 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -41.943 14.806 41.500 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -40.440 13.673 39.594 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -40.184 15.377 39.915 1.00 0.00 H new ATOM 219 N PRO B 4 -37.232 14.839 44.402 1.00 0.00 N ATOM 220 CA PRO B 4 -36.339 14.348 45.486 1.00 0.00 C ATOM 221 C PRO B 4 -37.088 13.518 46.577 1.00 0.00 C ATOM 222 O PRO B 4 -38.257 13.766 46.890 1.00 0.00 O ATOM 223 CB PRO B 4 -35.743 15.670 46.006 1.00 0.00 C ATOM 224 CG PRO B 4 -36.860 16.701 45.836 1.00 0.00 C ATOM 225 CD PRO B 4 -37.594 16.266 44.568 1.00 0.00 C ATOM 0 HA PRO B 4 -35.586 13.634 45.152 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -35.441 15.583 47.050 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -34.855 15.953 45.440 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -37.527 16.709 46.698 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -36.458 17.709 45.735 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -38.672 16.393 44.670 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -37.283 16.857 43.707 1.00 0.00 H new ATOM 233 N GLY B 5 -36.424 12.486 47.112 1.00 0.00 N ATOM 234 CA GLY B 5 -37.132 11.441 47.909 1.00 0.00 C ATOM 235 C GLY B 5 -37.787 10.247 47.173 1.00 0.00 C ATOM 236 O GLY B 5 -38.191 9.299 47.847 1.00 0.00 O ATOM 0 H GLY B 5 -35.419 12.341 47.019 1.00 0.00 H new ATOM 0 HA2 GLY B 5 -36.418 11.034 48.625 1.00 0.00 H new ATOM 0 HA3 GLY B 5 -37.912 11.939 48.485 1.00 0.00 H new ATOM 240 N TRP B 6 -37.900 10.255 45.836 1.00 0.00 N ATOM 241 CA TRP B 6 -38.453 9.162 45.048 1.00 0.00 C ATOM 242 C TRP B 6 -37.351 8.293 44.385 1.00 0.00 C ATOM 243 O TRP B 6 -36.274 8.801 44.027 1.00 0.00 O ATOM 244 CB TRP B 6 -39.135 9.962 43.922 1.00 0.00 C ATOM 245 CG TRP B 6 -40.535 10.503 44.113 1.00 0.00 C ATOM 246 CD1 TRP B 6 -40.842 11.854 44.277 1.00 0.00 C ATOM 247 CD2 TRP B 6 -41.717 9.869 43.826 1.00 0.00 C ATOM 248 NE1 TRP B 6 -42.232 12.080 44.216 1.00 0.00 N ATOM 249 CE2 TRP B 6 -42.758 10.824 43.939 1.00 0.00 C ATOM 250 CE3 TRP B 6 -41.956 8.594 43.244 1.00 0.00 C ATOM 251 CZ2 TRP B 6 -44.071 10.480 43.547 1.00 0.00 C ATOM 252 CZ3 TRP B 6 -43.265 8.282 42.866 1.00 0.00 C ATOM 253 CH2 TRP B 6 -44.310 9.201 43.037 1.00 0.00 C ATOM 0 H TRP B 6 -37.599 11.046 45.266 1.00 0.00 H new ATOM 0 HA TRP B 6 -39.071 8.484 45.637 1.00 0.00 H new ATOM 0 HB2 TRP B 6 -38.490 10.810 43.691 1.00 0.00 H new ATOM 0 HB3 TRP B 6 -39.153 9.325 43.038 1.00 0.00 H new ATOM 0 HD1 TRP B 6 -40.107 12.630 44.431 1.00 0.00 H new ATOM 0 HE1 TRP B 6 -42.734 12.959 44.345 1.00 0.00 H new ATOM 0 HE3 TRP B 6 -41.151 7.889 43.099 1.00 0.00 H new ATOM 0 HZ2 TRP B 6 -44.876 11.193 43.640 1.00 0.00 H new ATOM 0 HZ3 TRP B 6 -43.475 7.315 42.434 1.00 0.00 H new ATOM 0 HH2 TRP B 6 -45.317 8.916 42.770 1.00 0.00 H new ATOM 264 N GLU B 7 -37.703 7.046 44.024 1.00 0.00 N ATOM 265 CA GLU B 7 -37.052 6.355 42.901 1.00 0.00 C ATOM 266 C GLU B 7 -37.926 5.138 42.424 1.00 0.00 C ATOM 267 O GLU B 7 -38.739 4.559 43.153 1.00 0.00 O ATOM 268 CB GLU B 7 -35.590 5.960 43.296 1.00 0.00 C ATOM 269 CG GLU B 7 -34.485 6.173 42.234 1.00 0.00 C ATOM 270 CD GLU B 7 -34.504 5.196 41.092 1.00 0.00 C ATOM 271 OE1 GLU B 7 -34.135 4.023 41.293 1.00 0.00 O ATOM 272 OE2 GLU B 7 -34.931 5.579 39.987 1.00 0.00 O ATOM 0 H GLU B 7 -38.429 6.502 44.490 1.00 0.00 H new ATOM 0 HA GLU B 7 -36.975 7.024 42.044 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -35.316 6.527 44.186 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -35.589 4.907 43.577 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -34.579 7.181 41.831 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -33.514 6.115 42.726 1.00 0.00 H new ATOM 279 N LYS B 8 -37.727 4.748 41.167 1.00 0.00 N ATOM 280 CA LYS B 8 -38.328 3.512 40.577 1.00 0.00 C ATOM 281 C LYS B 8 -37.634 2.165 40.995 1.00 0.00 C ATOM 282 O LYS B 8 -36.414 1.985 40.936 1.00 0.00 O ATOM 283 CB LYS B 8 -38.597 3.700 39.056 1.00 0.00 C ATOM 284 CG LYS B 8 -37.454 4.076 38.085 1.00 0.00 C ATOM 285 CD LYS B 8 -36.630 2.877 37.564 1.00 0.00 C ATOM 286 CE LYS B 8 -35.209 3.260 37.093 1.00 0.00 C ATOM 287 NZ LYS B 8 -34.393 3.501 38.334 1.00 0.00 N ATOM 0 H LYS B 8 -37.145 5.269 40.511 1.00 0.00 H new ATOM 0 HA LYS B 8 -39.306 3.380 41.040 1.00 0.00 H new ATOM 0 HB2 LYS B 8 -39.032 2.769 38.692 1.00 0.00 H new ATOM 0 HB3 LYS B 8 -39.363 4.469 38.960 1.00 0.00 H new ATOM 0 HG2 LYS B 8 -37.879 4.605 37.232 1.00 0.00 H new ATOM 0 HG3 LYS B 8 -36.781 4.771 38.588 1.00 0.00 H new ATOM 0 HD2 LYS B 8 -36.553 2.130 38.354 1.00 0.00 H new ATOM 0 HD3 LYS B 8 -37.165 2.412 36.736 1.00 0.00 H new ATOM 0 HE2 LYS B 8 -34.773 2.463 36.492 1.00 0.00 H new ATOM 0 HE3 LYS B 8 -35.236 4.153 36.468 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 -33.381 3.444 38.101 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 -34.608 4.445 38.713 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 -34.625 2.780 39.047 1.00 0.00 H new ATOM 301 N ARG B 9 -38.454 1.223 41.471 1.00 0.00 N ATOM 302 CA ARG B 9 -38.060 -0.058 42.072 1.00 0.00 C ATOM 303 C ARG B 9 -38.701 -1.158 41.185 1.00 0.00 C ATOM 304 O ARG B 9 -39.842 -1.061 40.737 1.00 0.00 O ATOM 305 CB ARG B 9 -38.672 -0.113 43.505 1.00 0.00 C ATOM 306 CG ARG B 9 -38.105 0.873 44.544 1.00 0.00 C ATOM 307 CD ARG B 9 -36.747 0.441 45.123 1.00 0.00 C ATOM 308 NE ARG B 9 -36.027 1.625 45.665 1.00 0.00 N ATOM 309 CZ ARG B 9 -35.242 2.432 44.930 1.00 0.00 C ATOM 310 NH1 ARG B 9 -35.024 2.288 43.642 1.00 0.00 N ATOM 311 NH2 ARG B 9 -34.677 3.433 45.517 1.00 0.00 N ATOM 0 H ARG B 9 -39.467 1.339 41.447 1.00 0.00 H new ATOM 0 HA ARG B 9 -36.979 -0.187 42.134 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -39.745 0.061 43.422 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -38.542 -1.124 43.891 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -37.998 1.854 44.081 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -38.821 0.981 45.359 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -36.896 -0.297 45.911 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -36.147 -0.037 44.348 1.00 0.00 H new ATOM 0 HE ARG B 9 -36.136 1.838 46.657 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -35.465 1.522 43.133 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -34.414 2.942 43.152 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -34.832 3.594 46.512 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -34.076 4.063 44.986 1.00 0.00 H new ATOM 325 N MET B 10 -37.982 -2.248 40.989 1.00 0.00 N ATOM 326 CA MET B 10 -38.572 -3.487 40.393 1.00 0.00 C ATOM 327 C MET B 10 -39.785 -4.099 41.200 1.00 0.00 C ATOM 328 O MET B 10 -40.015 -3.771 42.364 1.00 0.00 O ATOM 329 CB MET B 10 -37.417 -4.466 40.030 1.00 0.00 C ATOM 330 CG MET B 10 -36.810 -5.368 41.128 1.00 0.00 C ATOM 331 SD MET B 10 -36.048 -4.453 42.485 1.00 0.00 S ATOM 332 CE MET B 10 -37.437 -4.311 43.621 1.00 0.00 C ATOM 0 H MET B 10 -36.992 -2.325 41.224 1.00 0.00 H new ATOM 0 HA MET B 10 -39.079 -3.229 39.463 1.00 0.00 H new ATOM 0 HB2 MET B 10 -37.779 -5.118 39.235 1.00 0.00 H new ATOM 0 HB3 MET B 10 -36.605 -3.872 39.610 1.00 0.00 H new ATOM 0 HG2 MET B 10 -37.593 -6.011 41.530 1.00 0.00 H new ATOM 0 HG3 MET B 10 -36.062 -6.020 40.677 1.00 0.00 H new ATOM 0 HE1 MET B 10 -37.085 -4.440 44.644 1.00 0.00 H new ATOM 0 HE2 MET B 10 -37.894 -3.327 43.516 1.00 0.00 H new ATOM 0 HE3 MET B 10 -38.175 -5.080 43.392 1.00 0.00 H new ATOM 342 N SER B 11 -40.597 -4.956 40.576 1.00 0.00 N ATOM 343 CA SER B 11 -41.719 -5.646 41.280 1.00 0.00 C ATOM 344 C SER B 11 -41.289 -7.053 41.825 1.00 0.00 C ATOM 345 O SER B 11 -40.548 -7.109 42.813 1.00 0.00 O ATOM 346 CB SER B 11 -42.980 -5.567 40.393 1.00 0.00 C ATOM 347 OG SER B 11 -44.101 -5.974 41.179 1.00 0.00 O ATOM 0 H SER B 11 -40.512 -5.198 39.589 1.00 0.00 H new ATOM 0 HA SER B 11 -41.995 -5.138 42.204 1.00 0.00 H new ATOM 0 HB2 SER B 11 -43.123 -4.551 40.024 1.00 0.00 H new ATOM 0 HB3 SER B 11 -42.873 -6.211 39.520 1.00 0.00 H new ATOM 0 HG SER B 11 -44.915 -5.930 40.635 1.00 0.00 H new ATOM 353 N ARG B 12 -41.695 -8.189 41.220 1.00 0.00 N ATOM 354 CA ARG B 12 -41.220 -9.539 41.657 1.00 0.00 C ATOM 355 C ARG B 12 -39.802 -9.891 41.080 1.00 0.00 C ATOM 356 O ARG B 12 -39.691 -10.518 40.022 1.00 0.00 O ATOM 357 CB ARG B 12 -42.276 -10.609 41.265 1.00 0.00 C ATOM 358 CG ARG B 12 -43.636 -10.579 42.018 1.00 0.00 C ATOM 359 CD ARG B 12 -44.666 -11.604 41.494 1.00 0.00 C ATOM 360 NE ARG B 12 -45.052 -11.175 40.126 1.00 0.00 N ATOM 361 CZ ARG B 12 -45.631 -11.892 39.191 1.00 0.00 C ATOM 362 NH1 ARG B 12 -46.264 -13.000 39.403 1.00 0.00 N ATOM 363 NH2 ARG B 12 -45.601 -11.423 37.999 1.00 0.00 N ATOM 0 H ARG B 12 -42.344 -8.210 40.434 1.00 0.00 H new ATOM 0 HA ARG B 12 -41.108 -9.526 42.741 1.00 0.00 H new ATOM 0 HB2 ARG B 12 -42.479 -10.508 40.199 1.00 0.00 H new ATOM 0 HB3 ARG B 12 -41.830 -11.593 41.413 1.00 0.00 H new ATOM 0 HG2 ARG B 12 -43.458 -10.767 43.077 1.00 0.00 H new ATOM 0 HG3 ARG B 12 -44.062 -9.579 41.939 1.00 0.00 H new ATOM 0 HD2 ARG B 12 -44.238 -12.606 41.477 1.00 0.00 H new ATOM 0 HD3 ARG B 12 -45.538 -11.641 42.146 1.00 0.00 H new ATOM 0 HE ARG B 12 -44.842 -10.207 39.883 1.00 0.00 H new ATOM 0 HH11 ARG B 12 -46.338 -13.372 40.350 1.00 0.00 H new ATOM 0 HH12 ARG B 12 -46.689 -13.502 38.623 1.00 0.00 H new ATOM 0 HH21 ARG B 12 -45.142 -10.531 37.813 1.00 0.00 H new ATOM 0 HH22 ARG B 12 -46.036 -11.941 37.236 1.00 0.00 H new ATOM 377 N SER B 13 -38.727 -9.500 41.791 1.00 0.00 N ATOM 378 CA SER B 13 -37.305 -9.834 41.442 1.00 0.00 C ATOM 379 C SER B 13 -36.685 -9.138 40.180 1.00 0.00 C ATOM 380 O SER B 13 -35.670 -8.448 40.299 1.00 0.00 O ATOM 381 CB SER B 13 -37.032 -11.361 41.520 1.00 0.00 C ATOM 382 OG SER B 13 -35.632 -11.646 41.480 1.00 0.00 O ATOM 0 H SER B 13 -38.807 -8.936 42.637 1.00 0.00 H new ATOM 0 HA SER B 13 -36.734 -9.352 42.235 1.00 0.00 H new ATOM 0 HB2 SER B 13 -37.460 -11.762 42.439 1.00 0.00 H new ATOM 0 HB3 SER B 13 -37.530 -11.864 40.691 1.00 0.00 H new ATOM 0 HG SER B 13 -35.494 -12.615 41.533 1.00 0.00 H new ATOM 388 N SER B 14 -37.227 -9.359 38.971 1.00 0.00 N ATOM 389 CA SER B 14 -36.742 -8.722 37.710 1.00 0.00 C ATOM 390 C SER B 14 -37.831 -8.821 36.592 1.00 0.00 C ATOM 391 O SER B 14 -38.175 -9.916 36.137 1.00 0.00 O ATOM 392 CB SER B 14 -35.409 -9.359 37.234 1.00 0.00 C ATOM 393 OG SER B 14 -34.322 -8.974 38.077 1.00 0.00 O ATOM 0 H SER B 14 -38.019 -9.986 38.828 1.00 0.00 H new ATOM 0 HA SER B 14 -36.552 -7.669 37.917 1.00 0.00 H new ATOM 0 HB2 SER B 14 -35.503 -10.445 37.230 1.00 0.00 H new ATOM 0 HB3 SER B 14 -35.203 -9.053 36.208 1.00 0.00 H new ATOM 0 HG SER B 14 -34.666 -8.475 38.847 1.00 0.00 H new ATOM 399 N GLY B 15 -38.357 -7.679 36.116 1.00 0.00 N ATOM 400 CA GLY B 15 -39.218 -7.655 34.895 1.00 0.00 C ATOM 401 C GLY B 15 -40.162 -6.446 34.755 1.00 0.00 C ATOM 402 O GLY B 15 -40.099 -5.709 33.773 1.00 0.00 O ATOM 0 H GLY B 15 -38.210 -6.765 36.544 1.00 0.00 H new ATOM 0 HA2 GLY B 15 -38.571 -7.688 34.018 1.00 0.00 H new ATOM 0 HA3 GLY B 15 -39.820 -8.564 34.882 1.00 0.00 H new ATOM 406 N ARG B 16 -41.081 -6.289 35.715 1.00 0.00 N ATOM 407 CA ARG B 16 -41.940 -5.069 35.826 1.00 0.00 C ATOM 408 C ARG B 16 -41.497 -4.162 37.041 1.00 0.00 C ATOM 409 O ARG B 16 -40.533 -4.469 37.750 1.00 0.00 O ATOM 410 CB ARG B 16 -43.421 -5.571 35.833 1.00 0.00 C ATOM 411 CG ARG B 16 -44.131 -5.754 34.457 1.00 0.00 C ATOM 412 CD ARG B 16 -43.498 -6.778 33.490 1.00 0.00 C ATOM 413 NE ARG B 16 -44.368 -7.030 32.299 1.00 0.00 N ATOM 414 CZ ARG B 16 -45.177 -8.076 32.137 1.00 0.00 C ATOM 415 NH1 ARG B 16 -45.385 -8.984 33.045 1.00 0.00 N ATOM 416 NH2 ARG B 16 -45.803 -8.209 31.013 1.00 0.00 N ATOM 0 H ARG B 16 -41.261 -6.987 36.437 1.00 0.00 H new ATOM 0 HA ARG B 16 -41.828 -4.390 34.981 1.00 0.00 H new ATOM 0 HB2 ARG B 16 -43.448 -6.528 36.354 1.00 0.00 H new ATOM 0 HB3 ARG B 16 -44.010 -4.869 36.424 1.00 0.00 H new ATOM 0 HG2 ARG B 16 -45.163 -6.051 34.642 1.00 0.00 H new ATOM 0 HG3 ARG B 16 -44.163 -4.786 33.957 1.00 0.00 H new ATOM 0 HD2 ARG B 16 -42.526 -6.412 33.159 1.00 0.00 H new ATOM 0 HD3 ARG B 16 -43.323 -7.716 34.017 1.00 0.00 H new ATOM 0 HE ARG B 16 -44.339 -6.342 31.547 1.00 0.00 H new ATOM 0 HH11 ARG B 16 -44.915 -8.920 33.948 1.00 0.00 H new ATOM 0 HH12 ARG B 16 -46.019 -9.760 32.854 1.00 0.00 H new ATOM 0 HH21 ARG B 16 -45.672 -7.520 30.272 1.00 0.00 H new ATOM 0 HH22 ARG B 16 -46.427 -9.002 30.868 1.00 0.00 H new ATOM 430 N VAL B 17 -42.146 -3.002 37.245 1.00 0.00 N ATOM 431 CA VAL B 17 -41.543 -1.844 37.994 1.00 0.00 C ATOM 432 C VAL B 17 -42.639 -0.972 38.699 1.00 0.00 C ATOM 433 O VAL B 17 -43.565 -0.492 38.041 1.00 0.00 O ATOM 434 CB VAL B 17 -40.585 -1.002 37.058 1.00 0.00 C ATOM 435 CG1 VAL B 17 -41.164 -0.644 35.672 1.00 0.00 C ATOM 436 CG2 VAL B 17 -40.063 0.323 37.669 1.00 0.00 C ATOM 0 H VAL B 17 -43.092 -2.824 36.907 1.00 0.00 H new ATOM 0 HA VAL B 17 -40.923 -2.244 38.796 1.00 0.00 H new ATOM 0 HB VAL B 17 -39.764 -1.710 36.945 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -40.430 -0.067 35.109 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -41.400 -1.559 35.129 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -42.071 -0.052 35.798 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -39.416 0.825 36.950 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -40.907 0.969 37.911 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -39.499 0.108 38.577 1.00 0.00 H new ATOM 446 N TYR B 18 -42.472 -0.690 40.007 1.00 0.00 N ATOM 447 CA TYR B 18 -43.264 0.355 40.716 1.00 0.00 C ATOM 448 C TYR B 18 -42.422 1.653 40.982 1.00 0.00 C ATOM 449 O TYR B 18 -41.221 1.611 41.257 1.00 0.00 O ATOM 450 CB TYR B 18 -43.938 -0.263 41.975 1.00 0.00 C ATOM 451 CG TYR B 18 -43.070 -0.674 43.177 1.00 0.00 C ATOM 452 CD1 TYR B 18 -42.557 -1.971 43.268 1.00 0.00 C ATOM 453 CD2 TYR B 18 -42.852 0.223 44.227 1.00 0.00 C ATOM 454 CE1 TYR B 18 -41.833 -2.363 44.393 1.00 0.00 C ATOM 455 CE2 TYR B 18 -42.118 -0.168 45.346 1.00 0.00 C ATOM 456 CZ TYR B 18 -41.605 -1.458 45.424 1.00 0.00 C ATOM 457 OH TYR B 18 -40.872 -1.838 46.514 1.00 0.00 O ATOM 0 H TYR B 18 -41.796 -1.169 40.602 1.00 0.00 H new ATOM 0 HA TYR B 18 -44.074 0.701 40.074 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -44.675 0.454 42.335 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -44.486 -1.148 41.651 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -42.722 -2.672 42.463 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -43.254 1.224 44.171 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -41.449 -3.370 44.464 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -41.948 0.531 46.152 1.00 0.00 H new ATOM 0 HH TYR B 18 -40.805 -1.088 47.141 1.00 0.00 H new ATOM 467 N TYR B 19 -43.068 2.822 40.908 1.00 0.00 N ATOM 468 CA TYR B 19 -42.444 4.131 41.263 1.00 0.00 C ATOM 469 C TYR B 19 -42.834 4.512 42.724 1.00 0.00 C ATOM 470 O TYR B 19 -44.001 4.449 43.118 1.00 0.00 O ATOM 471 CB TYR B 19 -42.885 5.212 40.248 1.00 0.00 C ATOM 472 CG TYR B 19 -42.288 5.137 38.829 1.00 0.00 C ATOM 473 CD1 TYR B 19 -42.736 4.188 37.904 1.00 0.00 C ATOM 474 CD2 TYR B 19 -41.323 6.072 38.435 1.00 0.00 C ATOM 475 CE1 TYR B 19 -42.218 4.163 36.612 1.00 0.00 C ATOM 476 CE2 TYR B 19 -40.792 6.034 37.147 1.00 0.00 C ATOM 477 CZ TYR B 19 -41.245 5.085 36.236 1.00 0.00 C ATOM 478 OH TYR B 19 -40.758 5.081 34.959 1.00 0.00 O ATOM 0 H TYR B 19 -44.038 2.903 40.602 1.00 0.00 H new ATOM 0 HA TYR B 19 -41.358 4.055 41.214 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -43.971 5.168 40.160 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -42.638 6.188 40.666 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -43.489 3.470 38.194 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -40.989 6.826 39.132 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -42.571 3.429 35.902 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -40.029 6.741 36.856 1.00 0.00 H new ATOM 0 HH TYR B 19 -40.087 5.789 34.863 1.00 0.00 H new ATOM 488 N PHE B 20 -41.841 4.871 43.539 1.00 0.00 N ATOM 489 CA PHE B 20 -41.970 4.855 45.026 1.00 0.00 C ATOM 490 C PHE B 20 -41.405 6.136 45.712 1.00 0.00 C ATOM 491 O PHE B 20 -40.228 6.462 45.543 1.00 0.00 O ATOM 492 CB PHE B 20 -41.270 3.557 45.528 1.00 0.00 C ATOM 493 CG PHE B 20 -41.330 3.294 47.047 1.00 0.00 C ATOM 494 CD1 PHE B 20 -42.546 3.079 47.675 1.00 0.00 C ATOM 495 CD2 PHE B 20 -40.169 3.296 47.802 1.00 0.00 C ATOM 496 CE1 PHE B 20 -42.611 2.880 49.050 1.00 0.00 C ATOM 497 CE2 PHE B 20 -40.220 3.088 49.176 1.00 0.00 C ATOM 498 CZ PHE B 20 -41.445 2.874 49.859 1.00 0.00 C ATOM 0 H PHE B 20 -40.927 5.180 43.207 1.00 0.00 H new ATOM 0 HA PHE B 20 -43.025 4.856 45.301 1.00 0.00 H new ATOM 0 HB2 PHE B 20 -41.718 2.706 45.015 1.00 0.00 H new ATOM 0 HB3 PHE B 20 -40.223 3.595 45.228 1.00 0.00 H new ATOM 0 HD1 PHE B 20 -43.454 3.066 47.090 1.00 0.00 H new ATOM 0 HD2 PHE B 20 -39.217 3.460 47.320 1.00 0.00 H new ATOM 0 HE1 PHE B 20 -43.574 2.726 49.514 1.00 0.00 H new ATOM 0 HE2 PHE B 20 -39.299 3.089 49.740 1.00 0.00 H new ATOM 0 HZ PHE B 20 -41.487 2.717 50.927 1.00 0.00 H new ATOM 508 N ASN B 21 -42.214 6.802 46.551 1.00 0.00 N ATOM 509 CA ASN B 21 -41.724 7.847 47.493 1.00 0.00 C ATOM 510 C ASN B 21 -41.238 7.194 48.835 1.00 0.00 C ATOM 511 O ASN B 21 -42.017 6.510 49.504 1.00 0.00 O ATOM 512 CB ASN B 21 -42.884 8.860 47.719 1.00 0.00 C ATOM 513 CG ASN B 21 -42.513 10.289 48.124 1.00 0.00 C ATOM 514 OD1 ASN B 21 -42.960 11.262 47.535 1.00 0.00 O ATOM 515 ND2 ASN B 21 -41.731 10.500 49.149 1.00 0.00 N ATOM 0 H ASN B 21 -43.220 6.641 46.604 1.00 0.00 H new ATOM 0 HA ASN B 21 -40.863 8.372 47.079 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -43.467 8.913 46.799 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -43.539 8.453 48.489 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -41.511 11.454 49.435 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -41.340 9.711 49.664 1.00 0.00 H new ATOM 522 N HIS B 22 -39.980 7.424 49.252 1.00 0.00 N ATOM 523 CA HIS B 22 -39.395 6.762 50.464 1.00 0.00 C ATOM 524 C HIS B 22 -39.863 7.352 51.839 1.00 0.00 C ATOM 525 O HIS B 22 -40.326 6.610 52.705 1.00 0.00 O ATOM 526 CB HIS B 22 -37.839 6.749 50.322 1.00 0.00 C ATOM 527 CG HIS B 22 -37.251 5.493 49.687 1.00 0.00 C ATOM 528 ND1 HIS B 22 -36.810 4.424 50.435 1.00 0.00 N ATOM 529 CD2 HIS B 22 -37.019 5.246 48.322 1.00 0.00 C ATOM 530 CE1 HIS B 22 -36.346 3.601 49.451 1.00 0.00 C ATOM 531 NE2 HIS B 22 -36.417 3.998 48.135 1.00 0.00 N ATOM 0 H HIS B 22 -39.339 8.060 48.778 1.00 0.00 H new ATOM 0 HA HIS B 22 -39.782 5.743 50.492 1.00 0.00 H new ATOM 0 HB2 HIS B 22 -37.538 7.611 49.727 1.00 0.00 H new ATOM 0 HB3 HIS B 22 -37.400 6.875 51.312 1.00 0.00 H new ATOM 0 HD1 HIS B 22 -36.826 4.286 51.445 1.00 0.00 H new ATOM 0 HD2 HIS B 22 -37.272 5.929 47.525 1.00 0.00 H new ATOM 0 HE1 HIS B 22 -35.924 2.640 49.704 1.00 0.00 H new ATOM 539 N ILE B 23 -39.733 8.672 52.043 1.00 0.00 N ATOM 540 CA ILE B 23 -40.159 9.371 53.300 1.00 0.00 C ATOM 541 C ILE B 23 -41.705 9.418 53.581 1.00 0.00 C ATOM 542 O ILE B 23 -42.119 9.260 54.730 1.00 0.00 O ATOM 543 CB ILE B 23 -39.485 10.785 53.417 1.00 0.00 C ATOM 544 CG1 ILE B 23 -39.775 11.803 52.270 1.00 0.00 C ATOM 545 CG2 ILE B 23 -37.979 10.713 53.773 1.00 0.00 C ATOM 546 CD1 ILE B 23 -38.965 11.707 50.966 1.00 0.00 C ATOM 0 H ILE B 23 -39.330 9.301 51.348 1.00 0.00 H new ATOM 0 HA ILE B 23 -39.788 8.734 54.103 1.00 0.00 H new ATOM 0 HB ILE B 23 -40.010 11.218 54.269 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -40.830 11.714 52.010 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -39.630 12.805 52.675 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -37.572 11.722 53.839 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -37.855 10.208 54.731 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -37.448 10.158 52.999 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -39.291 12.486 50.277 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -37.905 11.837 51.185 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -39.124 10.730 50.510 1.00 0.00 H new ATOM 558 N THR B 24 -42.555 9.604 52.557 1.00 0.00 N ATOM 559 CA THR B 24 -44.016 9.288 52.647 1.00 0.00 C ATOM 560 C THR B 24 -44.357 7.759 52.815 1.00 0.00 C ATOM 561 O THR B 24 -45.265 7.412 53.570 1.00 0.00 O ATOM 562 CB THR B 24 -44.680 9.913 51.377 1.00 0.00 C ATOM 563 OG1 THR B 24 -44.570 11.331 51.385 1.00 0.00 O ATOM 564 CG2 THR B 24 -46.170 9.614 51.198 1.00 0.00 C ATOM 0 H THR B 24 -42.268 9.972 51.650 1.00 0.00 H new ATOM 0 HA THR B 24 -44.417 9.719 53.564 1.00 0.00 H new ATOM 0 HB THR B 24 -44.130 9.445 50.560 1.00 0.00 H new ATOM 0 HG1 THR B 24 -44.992 11.696 50.579 1.00 0.00 H new ATOM 0 HG21 THR B 24 -46.531 10.094 50.288 1.00 0.00 H new ATOM 0 HG22 THR B 24 -46.319 8.537 51.124 1.00 0.00 H new ATOM 0 HG23 THR B 24 -46.724 9.998 52.055 1.00 0.00 H new ATOM 572 N ASN B 25 -43.683 6.886 52.046 1.00 0.00 N ATOM 573 CA ASN B 25 -44.003 5.432 51.894 1.00 0.00 C ATOM 574 C ASN B 25 -45.275 5.189 51.001 1.00 0.00 C ATOM 575 O ASN B 25 -46.303 4.687 51.465 1.00 0.00 O ATOM 576 CB ASN B 25 -43.935 4.676 53.256 1.00 0.00 C ATOM 577 CG ASN B 25 -43.840 3.154 53.174 1.00 0.00 C ATOM 578 OD1 ASN B 25 -42.770 2.562 53.182 1.00 0.00 O ATOM 579 ND2 ASN B 25 -44.945 2.461 53.096 1.00 0.00 N ATOM 0 H ASN B 25 -42.875 7.168 51.492 1.00 0.00 H new ATOM 0 HA ASN B 25 -43.214 4.957 51.311 1.00 0.00 H new ATOM 0 HB2 ASN B 25 -43.072 5.045 53.811 1.00 0.00 H new ATOM 0 HB3 ASN B 25 -44.821 4.934 53.837 1.00 0.00 H new ATOM 0 HD21 ASN B 25 -44.906 1.443 53.043 1.00 0.00 H new ATOM 0 HD22 ASN B 25 -45.847 2.938 53.088 1.00 0.00 H new ATOM 586 N ALA B 26 -45.188 5.540 49.704 1.00 0.00 N ATOM 587 CA ALA B 26 -46.316 5.415 48.745 1.00 0.00 C ATOM 588 C ALA B 26 -45.834 4.802 47.394 1.00 0.00 C ATOM 589 O ALA B 26 -44.974 5.374 46.716 1.00 0.00 O ATOM 590 CB ALA B 26 -46.926 6.819 48.556 1.00 0.00 C ATOM 0 H ALA B 26 -44.338 5.918 49.286 1.00 0.00 H new ATOM 0 HA ALA B 26 -47.076 4.736 49.132 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -47.759 6.762 47.856 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -47.283 7.193 49.516 1.00 0.00 H new ATOM 0 HB3 ALA B 26 -46.167 7.496 48.163 1.00 0.00 H new ATOM 596 N SER B 27 -46.389 3.640 47.006 1.00 0.00 N ATOM 597 CA SER B 27 -46.112 3.024 45.677 1.00 0.00 C ATOM 598 C SER B 27 -47.213 3.381 44.628 1.00 0.00 C ATOM 599 O SER B 27 -48.407 3.145 44.832 1.00 0.00 O ATOM 600 CB SER B 27 -46.008 1.490 45.809 1.00 0.00 C ATOM 601 OG SER B 27 -44.995 1.084 46.730 1.00 0.00 O ATOM 0 H SER B 27 -47.032 3.102 47.586 1.00 0.00 H new ATOM 0 HA SER B 27 -45.164 3.430 45.325 1.00 0.00 H new ATOM 0 HB2 SER B 27 -46.969 1.091 46.133 1.00 0.00 H new ATOM 0 HB3 SER B 27 -45.798 1.059 44.830 1.00 0.00 H new ATOM 0 HG SER B 27 -44.217 0.753 46.235 1.00 0.00 H new ATOM 607 N GLN B 28 -46.775 3.902 43.484 1.00 0.00 N ATOM 608 CA GLN B 28 -47.583 3.951 42.237 1.00 0.00 C ATOM 609 C GLN B 28 -46.854 3.210 41.056 1.00 0.00 C ATOM 610 O GLN B 28 -45.878 2.476 41.233 1.00 0.00 O ATOM 611 CB GLN B 28 -48.002 5.430 41.963 1.00 0.00 C ATOM 612 CG GLN B 28 -46.885 6.440 41.583 1.00 0.00 C ATOM 613 CD GLN B 28 -47.433 7.742 40.996 1.00 0.00 C ATOM 614 OE1 GLN B 28 -47.774 8.694 41.687 1.00 0.00 O ATOM 615 NE2 GLN B 28 -47.559 7.780 39.697 1.00 0.00 N ATOM 0 H GLN B 28 -45.845 4.308 43.381 1.00 0.00 H new ATOM 0 HA GLN B 28 -48.513 3.393 42.347 1.00 0.00 H new ATOM 0 HB2 GLN B 28 -48.738 5.426 41.159 1.00 0.00 H new ATOM 0 HB3 GLN B 28 -48.505 5.806 42.854 1.00 0.00 H new ATOM 0 HG2 GLN B 28 -46.292 6.668 42.469 1.00 0.00 H new ATOM 0 HG3 GLN B 28 -46.213 5.976 40.861 1.00 0.00 H new ATOM 0 HE21 GLN B 28 -47.271 6.980 39.133 1.00 0.00 H new ATOM 0 HE22 GLN B 28 -47.945 8.609 39.246 1.00 0.00 H new ATOM 624 N TRP B 29 -47.347 3.400 39.831 1.00 0.00 N ATOM 625 CA TRP B 29 -46.743 2.839 38.582 1.00 0.00 C ATOM 626 C TRP B 29 -46.609 3.917 37.444 1.00 0.00 C ATOM 627 O TRP B 29 -46.865 3.627 36.273 1.00 0.00 O ATOM 628 CB TRP B 29 -47.610 1.590 38.209 1.00 0.00 C ATOM 629 CG TRP B 29 -46.989 0.243 38.521 1.00 0.00 C ATOM 630 CD1 TRP B 29 -46.842 -0.287 39.804 1.00 0.00 C ATOM 631 CD2 TRP B 29 -46.694 -0.788 37.644 1.00 0.00 C ATOM 632 NE1 TRP B 29 -46.482 -1.635 39.761 1.00 0.00 N ATOM 633 CE2 TRP B 29 -46.387 -1.926 38.417 1.00 0.00 C ATOM 634 CE3 TRP B 29 -46.760 -0.878 36.225 1.00 0.00 C ATOM 635 CZ2 TRP B 29 -46.164 -3.170 37.792 1.00 0.00 C ATOM 636 CZ3 TRP B 29 -46.533 -2.120 35.628 1.00 0.00 C ATOM 637 CH2 TRP B 29 -46.260 -3.252 36.403 1.00 0.00 C ATOM 0 H TRP B 29 -48.187 3.952 39.657 1.00 0.00 H new ATOM 0 HA TRP B 29 -45.709 2.528 38.733 1.00 0.00 H new ATOM 0 HB2 TRP B 29 -48.562 1.661 38.735 1.00 0.00 H new ATOM 0 HB3 TRP B 29 -47.831 1.629 37.142 1.00 0.00 H new ATOM 0 HD1 TRP B 29 -46.988 0.275 40.715 1.00 0.00 H new ATOM 0 HE1 TRP B 29 -46.324 -2.264 40.548 1.00 0.00 H new ATOM 0 HE3 TRP B 29 -46.980 -0.007 35.625 1.00 0.00 H new ATOM 0 HZ2 TRP B 29 -45.923 -4.044 38.379 1.00 0.00 H new ATOM 0 HZ3 TRP B 29 -46.569 -2.208 34.552 1.00 0.00 H new ATOM 0 HH2 TRP B 29 -46.121 -4.207 35.917 1.00 0.00 H new ATOM 648 N GLU B 30 -46.166 5.145 37.785 1.00 0.00 N ATOM 649 CA GLU B 30 -45.934 6.239 36.811 1.00 0.00 C ATOM 650 C GLU B 30 -44.758 7.179 37.222 1.00 0.00 C ATOM 651 O GLU B 30 -44.475 7.430 38.399 1.00 0.00 O ATOM 652 CB GLU B 30 -47.247 7.059 36.578 1.00 0.00 C ATOM 653 CG GLU B 30 -47.739 7.105 35.119 1.00 0.00 C ATOM 654 CD GLU B 30 -46.845 7.771 34.085 1.00 0.00 C ATOM 655 OE1 GLU B 30 -45.753 7.246 33.791 1.00 0.00 O ATOM 656 OE2 GLU B 30 -47.195 8.851 33.565 1.00 0.00 O ATOM 0 H GLU B 30 -45.957 5.410 38.748 1.00 0.00 H new ATOM 0 HA GLU B 30 -45.640 5.767 35.873 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -48.037 6.635 37.198 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -47.085 8.080 36.923 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -47.918 6.080 34.795 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -48.702 7.616 35.107 1.00 0.00 H new ATOM 663 N ARG B 31 -44.120 7.739 36.193 1.00 0.00 N ATOM 664 CA ARG B 31 -43.061 8.770 36.313 1.00 0.00 C ATOM 665 C ARG B 31 -43.649 10.181 36.720 1.00 0.00 C ATOM 666 O ARG B 31 -44.385 10.760 35.917 1.00 0.00 O ATOM 667 CB ARG B 31 -42.300 8.680 34.941 1.00 0.00 C ATOM 668 CG ARG B 31 -41.516 9.909 34.389 1.00 0.00 C ATOM 669 CD ARG B 31 -41.947 10.375 32.972 1.00 0.00 C ATOM 670 NE ARG B 31 -43.271 11.072 33.002 1.00 0.00 N ATOM 671 CZ ARG B 31 -44.454 10.494 32.809 1.00 0.00 C ATOM 672 NH1 ARG B 31 -44.611 9.341 32.239 1.00 0.00 N ATOM 673 NH2 ARG B 31 -45.515 11.086 33.236 1.00 0.00 N ATOM 0 H ARG B 31 -44.323 7.489 35.225 1.00 0.00 H new ATOM 0 HA ARG B 31 -42.357 8.607 37.129 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -41.592 7.855 35.020 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -43.033 8.400 34.184 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -41.638 10.741 35.082 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -40.454 9.665 34.368 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -41.191 11.045 32.563 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -42.003 9.514 32.306 1.00 0.00 H new ATOM 0 HE ARG B 31 -43.266 12.075 33.186 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -43.798 8.821 31.908 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -45.547 8.953 32.122 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -45.441 11.984 33.714 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -46.430 10.657 33.096 1.00 0.00 H new ATOM 687 N PRO B 32 -43.335 10.818 37.892 1.00 0.00 N ATOM 688 CA PRO B 32 -43.837 12.193 38.207 1.00 0.00 C ATOM 689 C PRO B 32 -43.388 13.346 37.232 1.00 0.00 C ATOM 690 O PRO B 32 -44.189 14.190 36.830 1.00 0.00 O ATOM 691 CB PRO B 32 -43.373 12.426 39.663 1.00 0.00 C ATOM 692 CG PRO B 32 -42.611 11.183 40.126 1.00 0.00 C ATOM 693 CD PRO B 32 -42.561 10.187 38.974 1.00 0.00 C ATOM 0 HA PRO B 32 -44.918 12.235 38.075 1.00 0.00 H new ATOM 0 HB2 PRO B 32 -42.734 13.307 39.722 1.00 0.00 H new ATOM 0 HB3 PRO B 32 -44.230 12.610 40.311 1.00 0.00 H new ATOM 0 HG2 PRO B 32 -41.602 11.452 40.438 1.00 0.00 H new ATOM 0 HG3 PRO B 32 -43.103 10.737 40.990 1.00 0.00 H new ATOM 0 HD2 PRO B 32 -41.534 9.993 38.664 1.00 0.00 H new ATOM 0 HD3 PRO B 32 -42.993 9.229 39.262 1.00 0.00 H new ATOM 701 N SER B 33 -42.095 13.359 36.875 1.00 0.00 N ATOM 702 CA SER B 33 -41.521 14.253 35.832 1.00 0.00 C ATOM 703 C SER B 33 -40.553 13.450 34.904 1.00 0.00 C ATOM 704 O SER B 33 -40.838 13.261 33.721 1.00 0.00 O ATOM 705 CB SER B 33 -40.864 15.467 36.543 1.00 0.00 C ATOM 706 OG SER B 33 -40.088 16.259 35.645 1.00 0.00 O ATOM 0 H SER B 33 -41.402 12.745 37.302 1.00 0.00 H new ATOM 0 HA SER B 33 -42.293 14.643 35.169 1.00 0.00 H new ATOM 0 HB2 SER B 33 -41.640 16.086 36.994 1.00 0.00 H new ATOM 0 HB3 SER B 33 -40.228 15.111 37.354 1.00 0.00 H new ATOM 0 HG SER B 33 -39.693 17.013 36.131 1.00 0.00 H new