USER MOD reduce.3.24.130724 H: found=0, std=0, add=255, rem=0, adj=10 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+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 MET CE :methyl 152:sc= -0.0144 (180deg=-1.2) 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 16:sc= 0.772 USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 TYR OH : rot 94:sc= -0.553 USER MOD Single : B 21 ASN : amide:sc= 0.0156 X(o=0.016,f=0) USER MOD Single : B 22 HIS : no HE2:sc= 0.258 K(o=0.26,f=-2.4!) 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 131:sc= 0.707 USER MOD Single : B 28 GLN : amide:sc= -0.459 X(o=-0.46,f=0) USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 186 N LEU B 2 -37.223 13.710 37.547 1.00 0.00 N ATOM 187 CA LEU B 2 -37.896 13.161 38.756 1.00 0.00 C ATOM 188 C LEU B 2 -37.659 13.861 40.162 1.00 0.00 C ATOM 189 O LEU B 2 -36.594 14.453 40.363 1.00 0.00 O ATOM 190 CB LEU B 2 -37.949 11.601 38.707 1.00 0.00 C ATOM 191 CG LEU B 2 -36.810 10.886 39.469 1.00 0.00 C ATOM 192 CD1 LEU B 2 -37.316 10.539 40.862 1.00 0.00 C ATOM 193 CD2 LEU B 2 -36.342 9.609 38.757 1.00 0.00 C ATOM 0 HA LEU B 2 -38.927 13.505 38.680 1.00 0.00 H new ATOM 0 HB2 LEU B 2 -38.904 11.272 39.117 1.00 0.00 H new ATOM 0 HB3 LEU B 2 -37.924 11.284 37.664 1.00 0.00 H new ATOM 0 HG LEU B 2 -35.952 11.556 39.516 1.00 0.00 H new ATOM 0 HD11 LEU B 2 -36.528 10.033 41.420 1.00 0.00 H new ATOM 0 HD12 LEU B 2 -37.600 11.453 41.384 1.00 0.00 H new ATOM 0 HD13 LEU B 2 -38.183 9.883 40.781 1.00 0.00 H new ATOM 0 HD21 LEU B 2 -35.541 9.144 39.332 1.00 0.00 H new ATOM 0 HD22 LEU B 2 -37.177 8.914 38.670 1.00 0.00 H new ATOM 0 HD23 LEU B 2 -35.975 9.861 37.762 1.00 0.00 H new ATOM 205 N PRO B 3 -38.602 13.817 41.157 1.00 0.00 N ATOM 206 CA PRO B 3 -38.408 14.454 42.492 1.00 0.00 C ATOM 207 C PRO B 3 -37.498 13.788 43.610 1.00 0.00 C ATOM 208 O PRO B 3 -37.230 12.578 43.579 1.00 0.00 O ATOM 209 CB PRO B 3 -39.867 14.619 42.979 1.00 0.00 C ATOM 210 CG PRO B 3 -40.788 14.349 41.803 1.00 0.00 C ATOM 211 CD PRO B 3 -39.989 13.370 40.954 1.00 0.00 C ATOM 0 HA PRO B 3 -37.803 15.348 42.342 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -40.077 13.927 43.794 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -40.028 15.625 43.366 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -41.737 13.921 42.125 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -41.019 15.262 41.255 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -40.134 12.340 41.281 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -40.279 13.415 39.904 1.00 0.00 H new ATOM 219 N PRO B 4 -37.042 14.541 44.660 1.00 0.00 N ATOM 220 CA PRO B 4 -36.090 14.030 45.677 1.00 0.00 C ATOM 221 C PRO B 4 -36.785 13.192 46.801 1.00 0.00 C ATOM 222 O PRO B 4 -37.761 13.619 47.425 1.00 0.00 O ATOM 223 CB PRO B 4 -35.454 15.349 46.158 1.00 0.00 C ATOM 224 CG PRO B 4 -36.563 16.403 46.062 1.00 0.00 C ATOM 225 CD PRO B 4 -37.465 15.930 44.920 1.00 0.00 C ATOM 0 HA PRO B 4 -35.361 13.311 45.304 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -35.088 15.257 47.181 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -34.600 15.621 45.537 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -37.118 16.478 46.997 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -36.151 17.391 45.856 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -38.517 15.978 45.201 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -37.343 16.554 44.034 1.00 0.00 H new ATOM 233 N GLY B 5 -36.287 11.970 47.016 1.00 0.00 N ATOM 234 CA GLY B 5 -37.043 10.930 47.773 1.00 0.00 C ATOM 235 C GLY B 5 -37.924 9.940 46.970 1.00 0.00 C ATOM 236 O GLY B 5 -38.819 9.339 47.564 1.00 0.00 O ATOM 0 H GLY B 5 -35.372 11.665 46.685 1.00 0.00 H new ATOM 0 HA2 GLY B 5 -36.323 10.346 48.347 1.00 0.00 H new ATOM 0 HA3 GLY B 5 -37.685 11.441 48.491 1.00 0.00 H new ATOM 240 N TRP B 6 -37.666 9.700 45.676 1.00 0.00 N ATOM 241 CA TRP B 6 -38.319 8.646 44.886 1.00 0.00 C ATOM 242 C TRP B 6 -37.378 7.460 44.561 1.00 0.00 C ATOM 243 O TRP B 6 -36.151 7.615 44.534 1.00 0.00 O ATOM 244 CB TRP B 6 -38.677 9.416 43.586 1.00 0.00 C ATOM 245 CG TRP B 6 -40.103 9.918 43.559 1.00 0.00 C ATOM 246 CD1 TRP B 6 -40.516 11.238 43.729 1.00 0.00 C ATOM 247 CD2 TRP B 6 -41.234 9.162 43.549 1.00 0.00 C ATOM 248 NE1 TRP B 6 -41.903 11.354 43.865 1.00 0.00 N ATOM 249 CE2 TRP B 6 -42.333 10.030 43.787 1.00 0.00 C ATOM 250 CE3 TRP B 6 -41.412 7.774 43.320 1.00 0.00 C ATOM 251 CZ2 TRP B 6 -43.633 9.496 43.883 1.00 0.00 C ATOM 252 CZ3 TRP B 6 -42.723 7.289 43.396 1.00 0.00 C ATOM 253 CH2 TRP B 6 -43.809 8.121 43.706 1.00 0.00 C ATOM 0 H TRP B 6 -36.987 10.241 45.141 1.00 0.00 H new ATOM 0 HA TRP B 6 -39.160 8.189 45.408 1.00 0.00 H new ATOM 0 HB2 TRP B 6 -37.999 10.263 43.476 1.00 0.00 H new ATOM 0 HB3 TRP B 6 -38.513 8.763 42.729 1.00 0.00 H new ATOM 0 HD1 TRP B 6 -39.839 12.079 43.753 1.00 0.00 H new ATOM 0 HE1 TRP B 6 -42.462 12.198 43.990 1.00 0.00 H new ATOM 0 HE3 TRP B 6 -40.578 7.124 43.098 1.00 0.00 H new ATOM 0 HZ2 TRP B 6 -44.477 10.137 44.089 1.00 0.00 H new ATOM 0 HZ3 TRP B 6 -42.904 6.241 43.210 1.00 0.00 H new ATOM 0 HH2 TRP B 6 -44.795 7.693 43.809 1.00 0.00 H new ATOM 264 N GLU B 7 -37.954 6.303 44.166 1.00 0.00 N ATOM 265 CA GLU B 7 -37.163 5.236 43.525 1.00 0.00 C ATOM 266 C GLU B 7 -37.956 4.254 42.601 1.00 0.00 C ATOM 267 O GLU B 7 -38.853 3.526 43.029 1.00 0.00 O ATOM 268 CB GLU B 7 -36.386 4.447 44.626 1.00 0.00 C ATOM 269 CG GLU B 7 -35.257 3.485 44.157 1.00 0.00 C ATOM 270 CD GLU B 7 -34.910 2.403 45.161 1.00 0.00 C ATOM 271 OE1 GLU B 7 -34.738 2.688 46.360 1.00 0.00 O ATOM 272 OE2 GLU B 7 -34.883 1.221 44.773 1.00 0.00 O ATOM 0 H GLU B 7 -38.945 6.089 44.278 1.00 0.00 H new ATOM 0 HA GLU B 7 -36.484 5.746 42.842 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -35.948 5.171 45.313 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -37.109 3.864 45.196 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -35.560 3.014 43.222 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -34.362 4.069 43.944 1.00 0.00 H new ATOM 279 N LYS B 8 -37.531 4.153 41.333 1.00 0.00 N ATOM 280 CA LYS B 8 -37.922 3.030 40.426 1.00 0.00 C ATOM 281 C LYS B 8 -37.245 1.653 40.773 1.00 0.00 C ATOM 282 O LYS B 8 -36.015 1.553 40.836 1.00 0.00 O ATOM 283 CB LYS B 8 -37.771 3.490 38.943 1.00 0.00 C ATOM 284 CG LYS B 8 -36.341 3.507 38.342 1.00 0.00 C ATOM 285 CD LYS B 8 -35.937 2.154 37.694 1.00 0.00 C ATOM 286 CE LYS B 8 -34.443 1.793 37.796 1.00 0.00 C ATOM 287 NZ LYS B 8 -33.583 2.748 37.041 1.00 0.00 N ATOM 0 H LYS B 8 -36.911 4.835 40.897 1.00 0.00 H new ATOM 0 HA LYS B 8 -38.975 2.802 40.591 1.00 0.00 H new ATOM 0 HB2 LYS B 8 -38.389 2.839 38.324 1.00 0.00 H new ATOM 0 HB3 LYS B 8 -38.184 4.495 38.859 1.00 0.00 H new ATOM 0 HG2 LYS B 8 -36.278 4.296 37.592 1.00 0.00 H new ATOM 0 HG3 LYS B 8 -35.626 3.755 39.127 1.00 0.00 H new ATOM 0 HD2 LYS B 8 -36.518 1.359 38.161 1.00 0.00 H new ATOM 0 HD3 LYS B 8 -36.217 2.177 36.641 1.00 0.00 H new ATOM 0 HE2 LYS B 8 -34.143 1.786 38.844 1.00 0.00 H new ATOM 0 HE3 LYS B 8 -34.287 0.785 37.413 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 -32.586 2.468 37.137 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 -33.851 2.737 36.036 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 -33.711 3.707 37.423 1.00 0.00 H new ATOM 301 N ARG B 9 -38.042 0.587 40.943 1.00 0.00 N ATOM 302 CA ARG B 9 -37.560 -0.776 41.260 1.00 0.00 C ATOM 303 C ARG B 9 -37.902 -1.749 40.078 1.00 0.00 C ATOM 304 O ARG B 9 -38.338 -1.368 38.989 1.00 0.00 O ATOM 305 CB ARG B 9 -38.195 -1.129 42.644 1.00 0.00 C ATOM 306 CG ARG B 9 -37.588 -0.301 43.800 1.00 0.00 C ATOM 307 CD ARG B 9 -37.841 -0.875 45.198 1.00 0.00 C ATOM 308 NE ARG B 9 -36.953 -0.079 46.080 1.00 0.00 N ATOM 309 CZ ARG B 9 -37.093 0.176 47.360 1.00 0.00 C ATOM 310 NH1 ARG B 9 -38.033 -0.328 48.102 1.00 0.00 N ATOM 311 NH2 ARG B 9 -36.236 0.976 47.893 1.00 0.00 N ATOM 0 H ARG B 9 -39.057 0.644 40.864 1.00 0.00 H new ATOM 0 HA ARG B 9 -36.477 -0.861 41.354 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -39.270 -0.955 42.602 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -38.051 -2.190 42.846 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -36.512 -0.219 43.645 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -37.994 0.710 43.758 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -38.887 -0.773 45.488 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -37.600 -1.937 45.243 1.00 0.00 H new ATOM 0 HE ARG B 9 -36.127 0.322 45.635 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -38.719 -0.964 47.694 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -38.085 -0.088 49.092 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -35.492 1.379 47.324 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -36.301 1.206 48.885 1.00 0.00 H new ATOM 325 N MET B 10 -37.704 -3.039 40.312 1.00 0.00 N ATOM 326 CA MET B 10 -38.328 -4.116 39.486 1.00 0.00 C ATOM 327 C MET B 10 -39.791 -4.460 39.955 1.00 0.00 C ATOM 328 O MET B 10 -40.238 -4.005 41.010 1.00 0.00 O ATOM 329 CB MET B 10 -37.335 -5.316 39.442 1.00 0.00 C ATOM 330 CG MET B 10 -37.017 -6.069 40.756 1.00 0.00 C ATOM 331 SD MET B 10 -38.475 -6.947 41.346 1.00 0.00 S ATOM 332 CE MET B 10 -38.868 -6.034 42.845 1.00 0.00 C ATOM 0 H MET B 10 -37.115 -3.388 41.068 1.00 0.00 H new ATOM 0 HA MET B 10 -38.485 -3.782 38.460 1.00 0.00 H new ATOM 0 HB2 MET B 10 -37.728 -6.043 38.732 1.00 0.00 H new ATOM 0 HB3 MET B 10 -36.392 -4.950 39.035 1.00 0.00 H new ATOM 0 HG2 MET B 10 -36.202 -6.774 40.590 1.00 0.00 H new ATOM 0 HG3 MET B 10 -36.678 -5.363 41.514 1.00 0.00 H new ATOM 0 HE1 MET B 10 -39.938 -6.099 43.041 1.00 0.00 H new ATOM 0 HE2 MET B 10 -38.319 -6.460 43.685 1.00 0.00 H new ATOM 0 HE3 MET B 10 -38.585 -4.989 42.719 1.00 0.00 H new ATOM 342 N SER B 11 -40.531 -5.277 39.191 1.00 0.00 N ATOM 343 CA SER B 11 -41.792 -5.929 39.670 1.00 0.00 C ATOM 344 C SER B 11 -41.691 -7.499 39.741 1.00 0.00 C ATOM 345 O SER B 11 -40.924 -8.132 39.009 1.00 0.00 O ATOM 346 CB SER B 11 -42.979 -5.419 38.822 1.00 0.00 C ATOM 347 OG SER B 11 -44.200 -5.674 39.516 1.00 0.00 O ATOM 0 H SER B 11 -40.288 -5.513 38.229 1.00 0.00 H new ATOM 0 HA SER B 11 -41.965 -5.637 40.706 1.00 0.00 H new ATOM 0 HB2 SER B 11 -42.872 -4.351 38.631 1.00 0.00 H new ATOM 0 HB3 SER B 11 -42.988 -5.917 37.852 1.00 0.00 H new ATOM 0 HG SER B 11 -44.954 -5.350 38.981 1.00 0.00 H new ATOM 353 N ARG B 12 -42.457 -8.117 40.664 1.00 0.00 N ATOM 354 CA ARG B 12 -42.379 -9.575 41.016 1.00 0.00 C ATOM 355 C ARG B 12 -40.987 -10.307 41.175 1.00 0.00 C ATOM 356 O ARG B 12 -40.804 -11.419 40.670 1.00 0.00 O ATOM 357 CB ARG B 12 -43.448 -10.362 40.196 1.00 0.00 C ATOM 358 CG ARG B 12 -43.134 -10.566 38.690 1.00 0.00 C ATOM 359 CD ARG B 12 -43.995 -11.609 37.954 1.00 0.00 C ATOM 360 NE ARG B 12 -45.426 -11.191 37.901 1.00 0.00 N ATOM 361 CZ ARG B 12 -46.294 -11.449 36.938 1.00 0.00 C ATOM 362 NH1 ARG B 12 -46.035 -12.181 35.904 1.00 0.00 N ATOM 363 NH2 ARG B 12 -47.458 -10.910 37.022 1.00 0.00 N ATOM 0 H ARG B 12 -43.165 -7.619 41.203 1.00 0.00 H new ATOM 0 HA ARG B 12 -42.611 -9.580 42.081 1.00 0.00 H new ATOM 0 HB2 ARG B 12 -43.581 -11.342 40.655 1.00 0.00 H new ATOM 0 HB3 ARG B 12 -44.400 -9.838 40.281 1.00 0.00 H new ATOM 0 HG2 ARG B 12 -43.248 -9.608 38.183 1.00 0.00 H new ATOM 0 HG3 ARG B 12 -42.088 -10.855 38.594 1.00 0.00 H new ATOM 0 HD2 ARG B 12 -43.616 -11.747 36.941 1.00 0.00 H new ATOM 0 HD3 ARG B 12 -43.914 -12.572 38.458 1.00 0.00 H new ATOM 0 HE ARG B 12 -45.772 -10.648 38.692 1.00 0.00 H new ATOM 0 HH11 ARG B 12 -45.112 -12.601 35.795 1.00 0.00 H new ATOM 0 HH12 ARG B 12 -46.754 -12.339 35.198 1.00 0.00 H new ATOM 0 HH21 ARG B 12 -47.685 -10.307 37.813 1.00 0.00 H new ATOM 0 HH22 ARG B 12 -48.155 -11.086 36.298 1.00 0.00 H new ATOM 377 N SER B 13 -40.014 -9.720 41.904 1.00 0.00 N ATOM 378 CA SER B 13 -38.598 -10.229 41.989 1.00 0.00 C ATOM 379 C SER B 13 -37.730 -10.086 40.684 1.00 0.00 C ATOM 380 O SER B 13 -36.644 -9.502 40.711 1.00 0.00 O ATOM 381 CB SER B 13 -38.500 -11.622 42.666 1.00 0.00 C ATOM 382 OG SER B 13 -37.155 -11.902 43.057 1.00 0.00 O ATOM 0 H SER B 13 -40.172 -8.878 42.457 1.00 0.00 H new ATOM 0 HA SER B 13 -38.110 -9.525 42.663 1.00 0.00 H new ATOM 0 HB2 SER B 13 -39.151 -11.654 43.539 1.00 0.00 H new ATOM 0 HB3 SER B 13 -38.851 -12.391 41.978 1.00 0.00 H new ATOM 0 HG SER B 13 -37.115 -12.784 43.483 1.00 0.00 H new ATOM 388 N SER B 14 -38.204 -10.598 39.539 1.00 0.00 N ATOM 389 CA SER B 14 -37.659 -10.267 38.193 1.00 0.00 C ATOM 390 C SER B 14 -38.813 -10.304 37.137 1.00 0.00 C ATOM 391 O SER B 14 -39.528 -11.305 37.000 1.00 0.00 O ATOM 392 CB SER B 14 -36.504 -11.233 37.840 1.00 0.00 C ATOM 393 OG SER B 14 -35.367 -10.974 38.666 1.00 0.00 O ATOM 0 H SER B 14 -38.981 -11.258 39.509 1.00 0.00 H new ATOM 0 HA SER B 14 -37.246 -9.258 38.192 1.00 0.00 H new ATOM 0 HB2 SER B 14 -36.831 -12.264 37.973 1.00 0.00 H new ATOM 0 HB3 SER B 14 -36.233 -11.117 36.791 1.00 0.00 H new ATOM 0 HG SER B 14 -35.637 -10.425 39.432 1.00 0.00 H new ATOM 399 N GLY B 15 -39.012 -9.207 36.386 1.00 0.00 N ATOM 400 CA GLY B 15 -40.050 -9.166 35.321 1.00 0.00 C ATOM 401 C GLY B 15 -40.285 -7.789 34.675 1.00 0.00 C ATOM 402 O GLY B 15 -39.817 -7.548 33.563 1.00 0.00 O ATOM 0 H GLY B 15 -38.479 -8.343 36.488 1.00 0.00 H new ATOM 0 HA2 GLY B 15 -39.770 -9.872 34.539 1.00 0.00 H new ATOM 0 HA3 GLY B 15 -40.992 -9.515 35.743 1.00 0.00 H new ATOM 406 N ARG B 16 -41.069 -6.928 35.341 1.00 0.00 N ATOM 407 CA ARG B 16 -41.342 -5.527 34.882 1.00 0.00 C ATOM 408 C ARG B 16 -40.769 -4.471 35.901 1.00 0.00 C ATOM 409 O ARG B 16 -39.632 -4.610 36.356 1.00 0.00 O ATOM 410 CB ARG B 16 -42.861 -5.459 34.448 1.00 0.00 C ATOM 411 CG ARG B 16 -43.148 -5.381 32.924 1.00 0.00 C ATOM 412 CD ARG B 16 -42.589 -6.577 32.139 1.00 0.00 C ATOM 413 NE ARG B 16 -42.950 -6.502 30.695 1.00 0.00 N ATOM 414 CZ ARG B 16 -42.305 -7.130 29.715 1.00 0.00 C ATOM 415 NH1 ARG B 16 -41.246 -7.872 29.902 1.00 0.00 N ATOM 416 NH2 ARG B 16 -42.748 -6.998 28.506 1.00 0.00 N ATOM 0 H ARG B 16 -41.539 -7.168 36.214 1.00 0.00 H new ATOM 0 HA ARG B 16 -40.794 -5.235 33.986 1.00 0.00 H new ATOM 0 HB2 ARG B 16 -43.368 -6.338 34.845 1.00 0.00 H new ATOM 0 HB3 ARG B 16 -43.312 -4.589 34.924 1.00 0.00 H new ATOM 0 HG2 ARG B 16 -44.225 -5.323 32.767 1.00 0.00 H new ATOM 0 HG3 ARG B 16 -42.718 -4.461 32.527 1.00 0.00 H new ATOM 0 HD2 ARG B 16 -41.504 -6.606 32.242 1.00 0.00 H new ATOM 0 HD3 ARG B 16 -42.975 -7.504 32.563 1.00 0.00 H new ATOM 0 HE ARG B 16 -43.752 -5.926 30.439 1.00 0.00 H new ATOM 0 HH11 ARG B 16 -40.869 -7.995 30.842 1.00 0.00 H new ATOM 0 HH12 ARG B 16 -40.796 -8.328 29.108 1.00 0.00 H new ATOM 0 HH21 ARG B 16 -43.571 -6.424 28.324 1.00 0.00 H new ATOM 0 HH22 ARG B 16 -42.274 -7.468 27.735 1.00 0.00 H new ATOM 430 N VAL B 17 -41.511 -3.408 36.229 1.00 0.00 N ATOM 431 CA VAL B 17 -40.990 -2.195 36.941 1.00 0.00 C ATOM 432 C VAL B 17 -42.139 -1.578 37.802 1.00 0.00 C ATOM 433 O VAL B 17 -43.220 -1.293 37.281 1.00 0.00 O ATOM 434 CB VAL B 17 -40.350 -1.175 35.922 1.00 0.00 C ATOM 435 CG1 VAL B 17 -41.213 -0.848 34.682 1.00 0.00 C ATOM 436 CG2 VAL B 17 -39.916 0.187 36.518 1.00 0.00 C ATOM 0 H VAL B 17 -42.506 -3.347 36.013 1.00 0.00 H new ATOM 0 HA VAL B 17 -40.184 -2.472 37.620 1.00 0.00 H new ATOM 0 HB VAL B 17 -39.470 -1.747 35.628 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -40.683 -0.139 34.046 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -41.407 -1.763 34.122 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -42.159 -0.411 35.002 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -39.490 0.809 35.731 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -40.783 0.689 36.948 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -39.169 0.023 37.295 1.00 0.00 H new ATOM 446 N TYR B 18 -41.889 -1.303 39.094 1.00 0.00 N ATOM 447 CA TYR B 18 -42.741 -0.357 39.877 1.00 0.00 C ATOM 448 C TYR B 18 -41.897 0.860 40.368 1.00 0.00 C ATOM 449 O TYR B 18 -40.678 0.918 40.178 1.00 0.00 O ATOM 450 CB TYR B 18 -43.571 -1.116 40.955 1.00 0.00 C ATOM 451 CG TYR B 18 -42.854 -1.796 42.135 1.00 0.00 C ATOM 452 CD1 TYR B 18 -42.242 -1.044 43.143 1.00 0.00 C ATOM 453 CD2 TYR B 18 -42.884 -3.188 42.246 1.00 0.00 C ATOM 454 CE1 TYR B 18 -41.647 -1.676 44.231 1.00 0.00 C ATOM 455 CE2 TYR B 18 -42.291 -3.821 43.335 1.00 0.00 C ATOM 456 CZ TYR B 18 -41.668 -3.064 44.324 1.00 0.00 C ATOM 457 OH TYR B 18 -41.080 -3.687 45.390 1.00 0.00 O ATOM 0 H TYR B 18 -41.118 -1.710 39.623 1.00 0.00 H new ATOM 0 HA TYR B 18 -43.504 0.092 39.240 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -44.285 -0.407 41.374 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -44.148 -1.884 40.440 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -42.231 0.034 43.077 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -43.370 -3.777 41.482 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -41.170 -1.090 45.002 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -42.314 -4.898 43.413 1.00 0.00 H new ATOM 0 HH TYR B 18 -41.186 -4.657 45.301 1.00 0.00 H new ATOM 467 N TYR B 19 -42.524 1.871 40.988 1.00 0.00 N ATOM 468 CA TYR B 19 -41.817 3.105 41.415 1.00 0.00 C ATOM 469 C TYR B 19 -42.403 3.602 42.778 1.00 0.00 C ATOM 470 O TYR B 19 -43.615 3.775 42.939 1.00 0.00 O ATOM 471 CB TYR B 19 -41.711 4.057 40.176 1.00 0.00 C ATOM 472 CG TYR B 19 -42.349 5.420 40.187 1.00 0.00 C ATOM 473 CD1 TYR B 19 -43.742 5.507 40.241 1.00 0.00 C ATOM 474 CD2 TYR B 19 -41.580 6.584 40.088 1.00 0.00 C ATOM 475 CE1 TYR B 19 -44.343 6.745 40.338 1.00 0.00 C ATOM 476 CE2 TYR B 19 -42.199 7.820 40.180 1.00 0.00 C ATOM 477 CZ TYR B 19 -43.581 7.889 40.371 1.00 0.00 C ATOM 478 OH TYR B 19 -44.258 9.053 40.563 1.00 0.00 O ATOM 0 H TYR B 19 -43.520 1.866 41.209 1.00 0.00 H new ATOM 0 HA TYR B 19 -40.770 2.979 41.692 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -40.650 4.203 39.976 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -42.125 3.518 39.323 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -44.344 4.611 40.207 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -40.512 6.520 39.941 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -45.419 6.816 40.388 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -41.616 8.726 40.104 1.00 0.00 H new ATOM 0 HH TYR B 19 -44.273 9.269 41.519 1.00 0.00 H new ATOM 488 N PHE B 20 -41.523 3.760 43.772 1.00 0.00 N ATOM 489 CA PHE B 20 -41.875 3.825 45.209 1.00 0.00 C ATOM 490 C PHE B 20 -41.332 5.138 45.864 1.00 0.00 C ATOM 491 O PHE B 20 -40.138 5.437 45.806 1.00 0.00 O ATOM 492 CB PHE B 20 -41.325 2.500 45.828 1.00 0.00 C ATOM 493 CG PHE B 20 -41.349 2.435 47.371 1.00 0.00 C ATOM 494 CD1 PHE B 20 -42.552 2.329 48.055 1.00 0.00 C ATOM 495 CD2 PHE B 20 -40.174 2.594 48.089 1.00 0.00 C ATOM 496 CE1 PHE B 20 -42.584 2.364 49.444 1.00 0.00 C ATOM 497 CE2 PHE B 20 -40.197 2.630 49.480 1.00 0.00 C ATOM 498 CZ PHE B 20 -41.403 2.506 50.216 1.00 0.00 C ATOM 0 H PHE B 20 -40.521 3.849 43.604 1.00 0.00 H new ATOM 0 HA PHE B 20 -42.949 3.885 45.387 1.00 0.00 H new ATOM 0 HB2 PHE B 20 -41.907 1.666 45.436 1.00 0.00 H new ATOM 0 HB3 PHE B 20 -40.298 2.359 45.490 1.00 0.00 H new ATOM 0 HD1 PHE B 20 -43.473 2.218 47.502 1.00 0.00 H new ATOM 0 HD2 PHE B 20 -39.234 2.691 47.565 1.00 0.00 H new ATOM 0 HE1 PHE B 20 -43.535 2.281 49.949 1.00 0.00 H new ATOM 0 HE2 PHE B 20 -39.268 2.756 50.016 1.00 0.00 H new ATOM 0 HZ PHE B 20 -41.421 2.519 51.296 1.00 0.00 H new ATOM 508 N ASN B 21 -42.200 5.895 46.550 1.00 0.00 N ATOM 509 CA ASN B 21 -41.788 7.126 47.276 1.00 0.00 C ATOM 510 C ASN B 21 -41.153 6.766 48.667 1.00 0.00 C ATOM 511 O ASN B 21 -41.862 6.337 49.581 1.00 0.00 O ATOM 512 CB ASN B 21 -43.044 8.044 47.395 1.00 0.00 C ATOM 513 CG ASN B 21 -42.886 9.561 47.514 1.00 0.00 C ATOM 514 OD1 ASN B 21 -43.800 10.318 47.216 1.00 0.00 O ATOM 515 ND2 ASN B 21 -41.792 10.076 47.996 1.00 0.00 N ATOM 0 H ASN B 21 -43.195 5.684 46.623 1.00 0.00 H new ATOM 0 HA ASN B 21 -41.011 7.663 46.733 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -43.667 7.853 46.521 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -43.606 7.709 48.267 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -41.714 11.086 48.116 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -41.013 9.470 48.253 1.00 0.00 H new ATOM 522 N HIS B 22 -39.839 6.974 48.846 1.00 0.00 N ATOM 523 CA HIS B 22 -39.092 6.570 50.082 1.00 0.00 C ATOM 524 C HIS B 22 -39.241 7.452 51.389 1.00 0.00 C ATOM 525 O HIS B 22 -38.395 7.418 52.286 1.00 0.00 O ATOM 526 CB HIS B 22 -37.599 6.455 49.625 1.00 0.00 C ATOM 527 CG HIS B 22 -36.910 5.214 50.167 1.00 0.00 C ATOM 528 ND1 HIS B 22 -36.555 5.027 51.482 1.00 0.00 N ATOM 529 CD2 HIS B 22 -36.756 4.026 49.451 1.00 0.00 C ATOM 530 CE1 HIS B 22 -36.236 3.698 51.459 1.00 0.00 C ATOM 531 NE2 HIS B 22 -36.339 2.990 50.286 1.00 0.00 N ATOM 0 H HIS B 22 -39.250 7.426 48.147 1.00 0.00 H new ATOM 0 HA HIS B 22 -39.537 5.642 50.441 1.00 0.00 H new ATOM 0 HB2 HIS B 22 -37.557 6.441 48.536 1.00 0.00 H new ATOM 0 HB3 HIS B 22 -37.054 7.340 49.954 1.00 0.00 H new ATOM 0 HD1 HIS B 22 -36.535 5.692 52.256 1.00 0.00 H new ATOM 0 HD2 HIS B 22 -36.936 3.923 48.391 1.00 0.00 H new ATOM 0 HE1 HIS B 22 -35.904 3.206 52.361 1.00 0.00 H new ATOM 539 N ILE B 23 -40.319 8.233 51.489 1.00 0.00 N ATOM 540 CA ILE B 23 -40.562 9.252 52.564 1.00 0.00 C ATOM 541 C ILE B 23 -42.095 9.300 52.905 1.00 0.00 C ATOM 542 O ILE B 23 -42.482 9.056 54.047 1.00 0.00 O ATOM 543 CB ILE B 23 -39.908 10.658 52.253 1.00 0.00 C ATOM 544 CG1 ILE B 23 -40.131 11.178 50.798 1.00 0.00 C ATOM 545 CG2 ILE B 23 -38.401 10.665 52.618 1.00 0.00 C ATOM 546 CD1 ILE B 23 -39.649 12.598 50.474 1.00 0.00 C ATOM 0 H ILE B 23 -41.082 8.188 50.813 1.00 0.00 H new ATOM 0 HA ILE B 23 -40.041 8.939 53.469 1.00 0.00 H new ATOM 0 HB ILE B 23 -40.439 11.363 52.892 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -39.634 10.490 50.114 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -41.198 11.127 50.582 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -37.977 11.644 52.394 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -38.283 10.453 53.681 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -37.882 9.903 52.036 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -39.867 12.827 49.431 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -40.162 13.312 51.118 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -38.574 12.665 50.643 1.00 0.00 H new ATOM 558 N THR B 24 -42.973 9.530 51.909 1.00 0.00 N ATOM 559 CA THR B 24 -44.434 9.195 51.982 1.00 0.00 C ATOM 560 C THR B 24 -44.787 7.681 52.263 1.00 0.00 C ATOM 561 O THR B 24 -45.702 7.398 53.036 1.00 0.00 O ATOM 562 CB THR B 24 -45.057 9.692 50.633 1.00 0.00 C ATOM 563 OG1 THR B 24 -44.901 11.099 50.478 1.00 0.00 O ATOM 564 CG2 THR B 24 -46.554 9.420 50.445 1.00 0.00 C ATOM 0 H THR B 24 -42.701 9.954 51.022 1.00 0.00 H new ATOM 0 HA THR B 24 -44.855 9.694 52.855 1.00 0.00 H new ATOM 0 HB THR B 24 -44.505 9.112 49.893 1.00 0.00 H new ATOM 0 HG1 THR B 24 -45.297 11.380 49.627 1.00 0.00 H new ATOM 0 HG21 THR B 24 -46.875 9.807 49.478 1.00 0.00 H new ATOM 0 HG22 THR B 24 -46.737 8.346 50.485 1.00 0.00 H new ATOM 0 HG23 THR B 24 -47.116 9.914 51.238 1.00 0.00 H new ATOM 572 N ASN B 25 -44.109 6.742 51.574 1.00 0.00 N ATOM 573 CA ASN B 25 -44.398 5.273 51.567 1.00 0.00 C ATOM 574 C ASN B 25 -45.579 4.904 50.598 1.00 0.00 C ATOM 575 O ASN B 25 -46.677 4.545 51.031 1.00 0.00 O ATOM 576 CB ASN B 25 -44.455 4.655 52.998 1.00 0.00 C ATOM 577 CG ASN B 25 -44.340 3.134 53.065 1.00 0.00 C ATOM 578 OD1 ASN B 25 -43.262 2.564 53.164 1.00 0.00 O ATOM 579 ND2 ASN B 25 -45.433 2.421 53.008 1.00 0.00 N ATOM 0 H ASN B 25 -43.314 6.983 50.982 1.00 0.00 H new ATOM 0 HA ASN B 25 -43.539 4.767 51.126 1.00 0.00 H new ATOM 0 HB2 ASN B 25 -43.652 5.089 53.594 1.00 0.00 H new ATOM 0 HB3 ASN B 25 -45.394 4.951 53.465 1.00 0.00 H new ATOM 0 HD21 ASN B 25 -45.380 1.403 53.046 1.00 0.00 H new ATOM 0 HD22 ASN B 25 -46.339 2.882 52.925 1.00 0.00 H new ATOM 586 N ALA B 26 -45.342 4.989 49.273 1.00 0.00 N ATOM 587 CA ALA B 26 -46.394 4.766 48.243 1.00 0.00 C ATOM 588 C ALA B 26 -45.791 4.214 46.909 1.00 0.00 C ATOM 589 O ALA B 26 -44.983 4.889 46.265 1.00 0.00 O ATOM 590 CB ALA B 26 -47.130 6.107 48.022 1.00 0.00 C ATOM 0 H ALA B 26 -44.426 5.212 48.883 1.00 0.00 H new ATOM 0 HA ALA B 26 -47.096 4.008 48.590 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -47.909 5.975 47.271 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -47.581 6.433 48.959 1.00 0.00 H new ATOM 0 HB3 ALA B 26 -46.420 6.860 47.680 1.00 0.00 H new ATOM 596 N SER B 27 -46.189 2.998 46.490 1.00 0.00 N ATOM 597 CA SER B 27 -45.792 2.424 45.171 1.00 0.00 C ATOM 598 C SER B 27 -46.939 2.479 44.116 1.00 0.00 C ATOM 599 O SER B 27 -48.046 1.970 44.314 1.00 0.00 O ATOM 600 CB SER B 27 -45.311 0.973 45.364 1.00 0.00 C ATOM 601 OG SER B 27 -44.762 0.462 44.149 1.00 0.00 O ATOM 0 H SER B 27 -46.788 2.384 47.042 1.00 0.00 H new ATOM 0 HA SER B 27 -44.981 3.038 44.780 1.00 0.00 H new ATOM 0 HB2 SER B 27 -44.560 0.934 46.154 1.00 0.00 H new ATOM 0 HB3 SER B 27 -46.144 0.347 45.685 1.00 0.00 H new ATOM 0 HG SER B 27 -43.888 0.057 44.330 1.00 0.00 H new ATOM 607 N GLN B 28 -46.596 3.035 42.957 1.00 0.00 N ATOM 608 CA GLN B 28 -47.377 2.885 41.695 1.00 0.00 C ATOM 609 C GLN B 28 -46.419 2.457 40.521 1.00 0.00 C ATOM 610 O GLN B 28 -45.314 1.957 40.754 1.00 0.00 O ATOM 611 CB GLN B 28 -48.229 4.173 41.477 1.00 0.00 C ATOM 612 CG GLN B 28 -47.448 5.480 41.295 1.00 0.00 C ATOM 613 CD GLN B 28 -48.381 6.666 41.057 1.00 0.00 C ATOM 614 OE1 GLN B 28 -48.955 7.271 41.953 1.00 0.00 O ATOM 615 NE2 GLN B 28 -48.600 6.949 39.805 1.00 0.00 N ATOM 0 H GLN B 28 -45.762 3.612 42.848 1.00 0.00 H new ATOM 0 HA GLN B 28 -48.103 2.074 41.744 1.00 0.00 H new ATOM 0 HB2 GLN B 28 -48.856 4.024 40.598 1.00 0.00 H new ATOM 0 HB3 GLN B 28 -48.898 4.290 42.330 1.00 0.00 H new ATOM 0 HG2 GLN B 28 -46.840 5.667 42.180 1.00 0.00 H new ATOM 0 HG3 GLN B 28 -46.763 5.381 40.453 1.00 0.00 H new ATOM 0 HE21 GLN B 28 -48.112 6.433 39.073 1.00 0.00 H new ATOM 0 HE22 GLN B 28 -49.260 7.686 39.557 1.00 0.00 H new ATOM 624 N TRP B 29 -46.816 2.641 39.255 1.00 0.00 N ATOM 625 CA TRP B 29 -45.869 2.608 38.087 1.00 0.00 C ATOM 626 C TRP B 29 -45.586 4.015 37.425 1.00 0.00 C ATOM 627 O TRP B 29 -44.551 4.173 36.772 1.00 0.00 O ATOM 628 CB TRP B 29 -46.327 1.568 37.016 1.00 0.00 C ATOM 629 CG TRP B 29 -46.379 0.065 37.306 1.00 0.00 C ATOM 630 CD1 TRP B 29 -46.303 -0.567 38.553 1.00 0.00 C ATOM 631 CD2 TRP B 29 -46.368 -0.972 36.374 1.00 0.00 C ATOM 632 NE1 TRP B 29 -46.286 -1.953 38.437 1.00 0.00 N ATOM 633 CE2 TRP B 29 -46.291 -2.191 37.085 1.00 0.00 C ATOM 634 CE3 TRP B 29 -46.352 -0.976 34.951 1.00 0.00 C ATOM 635 CZ2 TRP B 29 -46.213 -3.419 36.398 1.00 0.00 C ATOM 636 CZ3 TRP B 29 -46.282 -2.206 34.289 1.00 0.00 C ATOM 637 CH2 TRP B 29 -46.228 -3.411 35.004 1.00 0.00 C ATOM 0 H TRP B 29 -47.786 2.816 38.993 1.00 0.00 H new ATOM 0 HA TRP B 29 -44.915 2.292 38.508 1.00 0.00 H new ATOM 0 HB2 TRP B 29 -47.329 1.861 36.703 1.00 0.00 H new ATOM 0 HB3 TRP B 29 -45.673 1.698 36.154 1.00 0.00 H new ATOM 0 HD1 TRP B 29 -46.262 -0.040 39.495 1.00 0.00 H new ATOM 0 HE1 TRP B 29 -46.273 -2.641 39.190 1.00 0.00 H new ATOM 0 HE3 TRP B 29 -46.393 -0.051 34.395 1.00 0.00 H new ATOM 0 HZ2 TRP B 29 -46.143 -4.350 36.942 1.00 0.00 H new ATOM 0 HZ3 TRP B 29 -46.269 -2.228 33.209 1.00 0.00 H new ATOM 0 HH2 TRP B 29 -46.198 -4.347 34.467 1.00 0.00 H new ATOM 648 N GLU B 30 -46.470 5.026 37.568 1.00 0.00 N ATOM 649 CA GLU B 30 -46.473 6.248 36.713 1.00 0.00 C ATOM 650 C GLU B 30 -45.836 7.498 37.360 1.00 0.00 C ATOM 651 O GLU B 30 -46.263 8.033 38.386 1.00 0.00 O ATOM 652 CB GLU B 30 -47.932 6.609 36.285 1.00 0.00 C ATOM 653 CG GLU B 30 -48.537 5.773 35.142 1.00 0.00 C ATOM 654 CD GLU B 30 -47.856 5.985 33.803 1.00 0.00 C ATOM 655 OE1 GLU B 30 -48.169 6.981 33.123 1.00 0.00 O ATOM 656 OE2 GLU B 30 -46.911 5.249 33.471 1.00 0.00 O ATOM 0 H GLU B 30 -47.204 5.025 38.277 1.00 0.00 H new ATOM 0 HA GLU B 30 -45.853 5.985 35.856 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -48.578 6.512 37.158 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -47.951 7.658 35.989 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -48.478 4.717 35.406 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -49.594 6.019 35.045 1.00 0.00 H new ATOM 663 N ARG B 31 -44.824 7.991 36.660 1.00 0.00 N ATOM 664 CA ARG B 31 -43.945 9.063 37.131 1.00 0.00 C ATOM 665 C ARG B 31 -44.529 10.503 37.204 1.00 0.00 C ATOM 666 O ARG B 31 -45.463 10.764 36.440 1.00 0.00 O ATOM 667 CB ARG B 31 -42.566 8.739 36.516 1.00 0.00 C ATOM 668 CG ARG B 31 -42.153 9.415 35.186 1.00 0.00 C ATOM 669 CD ARG B 31 -42.805 8.751 33.958 1.00 0.00 C ATOM 670 NE ARG B 31 -44.183 9.283 33.735 1.00 0.00 N ATOM 671 CZ ARG B 31 -45.228 8.555 33.360 1.00 0.00 C ATOM 672 NH1 ARG B 31 -45.137 7.386 32.798 1.00 0.00 N ATOM 673 NH2 ARG B 31 -46.410 9.017 33.590 1.00 0.00 N ATOM 0 H ARG B 31 -44.582 7.653 35.729 1.00 0.00 H new ATOM 0 HA ARG B 31 -43.812 9.089 38.213 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -41.809 8.988 37.259 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -42.520 7.661 36.364 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -42.432 10.468 35.216 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -41.069 9.375 35.083 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -42.193 8.932 33.074 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -42.846 7.671 34.102 1.00 0.00 H new ATOM 0 HE ARG B 31 -44.332 10.281 33.882 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -44.220 6.975 32.621 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -45.982 6.880 32.534 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -46.524 9.921 34.049 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -47.231 8.479 33.313 1.00 0.00 H new ATOM 687 N PRO B 32 -44.086 11.404 38.150 1.00 0.00 N ATOM 688 CA PRO B 32 -44.947 12.506 38.711 1.00 0.00 C ATOM 689 C PRO B 32 -45.362 13.701 37.766 1.00 0.00 C ATOM 690 O PRO B 32 -45.513 14.847 38.191 1.00 0.00 O ATOM 691 CB PRO B 32 -44.020 13.043 39.856 1.00 0.00 C ATOM 692 CG PRO B 32 -43.125 11.899 40.250 1.00 0.00 C ATOM 693 CD PRO B 32 -42.868 11.178 38.947 1.00 0.00 C ATOM 0 HA PRO B 32 -45.926 12.106 38.973 1.00 0.00 H new ATOM 0 HB2 PRO B 32 -43.433 13.895 39.513 1.00 0.00 H new ATOM 0 HB3 PRO B 32 -44.611 13.384 40.706 1.00 0.00 H new ATOM 0 HG2 PRO B 32 -42.198 12.253 40.701 1.00 0.00 H new ATOM 0 HG3 PRO B 32 -43.606 11.248 40.980 1.00 0.00 H new ATOM 0 HD2 PRO B 32 -41.986 11.573 38.443 1.00 0.00 H new ATOM 0 HD3 PRO B 32 -42.693 10.115 39.110 1.00 0.00 H new ATOM 701 N SER B 33 -45.424 13.433 36.457 1.00 0.00 N ATOM 702 CA SER B 33 -44.698 14.241 35.426 1.00 0.00 C ATOM 703 C SER B 33 -43.155 13.965 35.495 1.00 0.00 C ATOM 704 O SER B 33 -42.657 13.055 34.821 1.00 0.00 O ATOM 705 CB SER B 33 -45.150 15.722 35.305 1.00 0.00 C ATOM 706 OG SER B 33 -44.592 16.329 34.137 1.00 0.00 O ATOM 0 H SER B 33 -45.968 12.662 36.068 1.00 0.00 H new ATOM 0 HA SER B 33 -45.009 13.884 34.444 1.00 0.00 H new ATOM 0 HB2 SER B 33 -46.238 15.773 35.262 1.00 0.00 H new ATOM 0 HB3 SER B 33 -44.840 16.275 36.191 1.00 0.00 H new ATOM 0 HG SER B 33 -44.890 17.261 34.078 1.00 0.00 H new