USER MOD reduce.3.24.130724 H: found=0, std=0, add=255, rem=0, adj=12 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+ -175:sc= 0 (180deg=-0.0246) USER MOD Single : B 10 MET CE :methyl 144:sc= -0.633 (180deg=-2.88!) USER MOD Single : B 11 SER OG : rot 180:sc= 0.613 USER MOD Single : B 13 SER OG : rot 180:sc= 0 USER MOD Single : B 14 SER OG : rot 180:sc= 0 USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 TYR OH : rot 70:sc= -0.424 USER MOD Single : B 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 22 HIS : no HE2:sc= 0.146 K(o=0.15,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 39:sc= 0.0975 USER MOD Single : B 28 GLN :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 186 N LEU B 2 -36.150 14.344 38.690 1.00 0.00 N ATOM 187 CA LEU B 2 -37.350 13.978 39.508 1.00 0.00 C ATOM 188 C LEU B 2 -37.318 14.289 41.062 1.00 0.00 C ATOM 189 O LEU B 2 -36.232 14.492 41.618 1.00 0.00 O ATOM 190 CB LEU B 2 -37.734 12.492 39.223 1.00 0.00 C ATOM 191 CG LEU B 2 -36.841 11.435 39.927 1.00 0.00 C ATOM 192 CD1 LEU B 2 -37.616 10.773 41.069 1.00 0.00 C ATOM 193 CD2 LEU B 2 -36.304 10.372 38.960 1.00 0.00 C ATOM 0 HA LEU B 2 -38.124 14.666 39.169 1.00 0.00 H new ATOM 0 HB2 LEU B 2 -38.768 12.335 39.531 1.00 0.00 H new ATOM 0 HB3 LEU B 2 -37.692 12.322 38.147 1.00 0.00 H new ATOM 0 HG LEU B 2 -35.975 11.962 40.327 1.00 0.00 H new ATOM 0 HD11 LEU B 2 -36.982 10.033 41.558 1.00 0.00 H new ATOM 0 HD12 LEU B 2 -37.914 11.531 41.794 1.00 0.00 H new ATOM 0 HD13 LEU B 2 -38.504 10.283 40.670 1.00 0.00 H new ATOM 0 HD21 LEU B 2 -35.687 9.660 39.508 1.00 0.00 H new ATOM 0 HD22 LEU B 2 -37.139 9.847 38.497 1.00 0.00 H new ATOM 0 HD23 LEU B 2 -35.704 10.853 38.187 1.00 0.00 H new ATOM 205 N PRO B 3 -38.459 14.295 41.802 1.00 0.00 N ATOM 206 CA PRO B 3 -38.494 14.671 43.240 1.00 0.00 C ATOM 207 C PRO B 3 -37.657 13.917 44.356 1.00 0.00 C ATOM 208 O PRO B 3 -37.268 12.751 44.183 1.00 0.00 O ATOM 209 CB PRO B 3 -40.016 14.796 43.448 1.00 0.00 C ATOM 210 CG PRO B 3 -40.597 15.193 42.108 1.00 0.00 C ATOM 211 CD PRO B 3 -39.816 14.241 41.221 1.00 0.00 C ATOM 0 HA PRO B 3 -37.893 15.563 43.417 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -40.440 13.853 43.791 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -40.244 15.544 44.208 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -41.674 15.034 42.052 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -40.417 16.240 41.864 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -40.228 13.232 41.248 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -39.823 14.561 40.179 1.00 0.00 H new ATOM 219 N PRO B 4 -37.294 14.578 45.504 1.00 0.00 N ATOM 220 CA PRO B 4 -36.362 14.004 46.513 1.00 0.00 C ATOM 221 C PRO B 4 -36.983 12.863 47.379 1.00 0.00 C ATOM 222 O PRO B 4 -38.113 12.959 47.864 1.00 0.00 O ATOM 223 CB PRO B 4 -35.970 15.257 47.321 1.00 0.00 C ATOM 224 CG PRO B 4 -37.205 16.158 47.277 1.00 0.00 C ATOM 225 CD PRO B 4 -37.810 15.910 45.895 1.00 0.00 C ATOM 0 HA PRO B 4 -35.511 13.487 46.070 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -35.706 14.999 48.347 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -35.103 15.753 46.884 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -37.909 15.905 48.070 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -36.937 17.206 47.411 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -38.899 15.920 45.930 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -37.507 16.679 45.184 1.00 0.00 H new ATOM 233 N GLY B 5 -36.238 11.761 47.529 1.00 0.00 N ATOM 234 CA GLY B 5 -36.812 10.499 48.072 1.00 0.00 C ATOM 235 C GLY B 5 -37.745 9.681 47.150 1.00 0.00 C ATOM 236 O GLY B 5 -38.700 9.091 47.655 1.00 0.00 O ATOM 0 H GLY B 5 -35.248 11.705 47.289 1.00 0.00 H new ATOM 0 HA2 GLY B 5 -35.985 9.855 48.369 1.00 0.00 H new ATOM 0 HA3 GLY B 5 -37.366 10.745 48.978 1.00 0.00 H new ATOM 240 N TRP B 6 -37.455 9.583 45.844 1.00 0.00 N ATOM 241 CA TRP B 6 -38.156 8.698 44.908 1.00 0.00 C ATOM 242 C TRP B 6 -37.149 7.772 44.174 1.00 0.00 C ATOM 243 O TRP B 6 -36.089 8.243 43.742 1.00 0.00 O ATOM 244 CB TRP B 6 -38.727 9.692 43.875 1.00 0.00 C ATOM 245 CG TRP B 6 -40.160 10.131 44.036 1.00 0.00 C ATOM 246 CD1 TRP B 6 -40.580 11.403 44.419 1.00 0.00 C ATOM 247 CD2 TRP B 6 -41.267 9.489 43.558 1.00 0.00 C ATOM 248 NE1 TRP B 6 -41.965 11.573 44.237 1.00 0.00 N ATOM 249 CE2 TRP B 6 -42.368 10.371 43.689 1.00 0.00 C ATOM 250 CE3 TRP B 6 -41.388 8.266 42.857 1.00 0.00 C ATOM 251 CZ2 TRP B 6 -43.605 10.041 43.106 1.00 0.00 C ATOM 252 CZ3 TRP B 6 -42.660 7.913 42.399 1.00 0.00 C ATOM 253 CH2 TRP B 6 -43.745 8.794 42.496 1.00 0.00 C ATOM 0 H TRP B 6 -36.713 10.127 45.403 1.00 0.00 H new ATOM 0 HA TRP B 6 -38.893 8.063 45.399 1.00 0.00 H new ATOM 0 HB2 TRP B 6 -38.101 10.584 43.887 1.00 0.00 H new ATOM 0 HB3 TRP B 6 -38.624 9.244 42.887 1.00 0.00 H new ATOM 0 HD1 TRP B 6 -39.922 12.166 44.808 1.00 0.00 H new ATOM 0 HE1 TRP B 6 -42.535 12.389 44.457 1.00 0.00 H new ATOM 0 HE3 TRP B 6 -40.532 7.631 42.683 1.00 0.00 H new ATOM 0 HZ2 TRP B 6 -44.429 10.738 43.130 1.00 0.00 H new ATOM 0 HZ3 TRP B 6 -42.810 6.938 41.960 1.00 0.00 H new ATOM 0 HH2 TRP B 6 -44.704 8.504 42.093 1.00 0.00 H new ATOM 264 N GLU B 7 -37.531 6.514 43.884 1.00 0.00 N ATOM 265 CA GLU B 7 -36.793 5.691 42.916 1.00 0.00 C ATOM 266 C GLU B 7 -37.682 4.616 42.199 1.00 0.00 C ATOM 267 O GLU B 7 -38.648 4.050 42.714 1.00 0.00 O ATOM 268 CB GLU B 7 -35.597 4.960 43.600 1.00 0.00 C ATOM 269 CG GLU B 7 -34.322 5.763 43.977 1.00 0.00 C ATOM 270 CD GLU B 7 -33.240 4.887 44.561 1.00 0.00 C ATOM 271 OE1 GLU B 7 -32.672 4.062 43.818 1.00 0.00 O ATOM 272 OE2 GLU B 7 -33.062 4.878 45.792 1.00 0.00 O ATOM 0 H GLU B 7 -38.338 6.052 44.303 1.00 0.00 H new ATOM 0 HA GLU B 7 -36.437 6.392 42.161 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -35.975 4.500 44.513 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -35.289 4.150 42.939 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -33.938 6.267 43.090 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -34.584 6.539 44.696 1.00 0.00 H new ATOM 279 N LYS B 8 -37.235 4.260 40.994 1.00 0.00 N ATOM 280 CA LYS B 8 -37.589 2.976 40.316 1.00 0.00 C ATOM 281 C LYS B 8 -37.205 1.658 41.097 1.00 0.00 C ATOM 282 O LYS B 8 -36.094 1.524 41.621 1.00 0.00 O ATOM 283 CB LYS B 8 -36.969 2.991 38.882 1.00 0.00 C ATOM 284 CG LYS B 8 -37.564 3.978 37.837 1.00 0.00 C ATOM 285 CD LYS B 8 -39.048 3.739 37.457 1.00 0.00 C ATOM 286 CE LYS B 8 -39.311 3.096 36.085 1.00 0.00 C ATOM 287 NZ LYS B 8 -40.770 2.773 35.947 1.00 0.00 N ATOM 0 H LYS B 8 -36.611 4.848 40.442 1.00 0.00 H new ATOM 0 HA LYS B 8 -38.678 2.933 40.278 1.00 0.00 H new ATOM 0 HB2 LYS B 8 -35.906 3.211 38.981 1.00 0.00 H new ATOM 0 HB3 LYS B 8 -37.050 1.984 38.473 1.00 0.00 H new ATOM 0 HG2 LYS B 8 -37.466 4.992 38.225 1.00 0.00 H new ATOM 0 HG3 LYS B 8 -36.962 3.924 36.930 1.00 0.00 H new ATOM 0 HD2 LYS B 8 -39.498 3.106 38.222 1.00 0.00 H new ATOM 0 HD3 LYS B 8 -39.567 4.697 37.490 1.00 0.00 H new ATOM 0 HE2 LYS B 8 -39.002 3.775 35.290 1.00 0.00 H new ATOM 0 HE3 LYS B 8 -38.716 2.189 35.978 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 -40.930 2.263 35.055 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 -41.071 2.178 36.745 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 -41.322 3.654 35.945 1.00 0.00 H new ATOM 301 N ARG B 9 -38.127 0.677 41.175 1.00 0.00 N ATOM 302 CA ARG B 9 -37.925 -0.612 41.878 1.00 0.00 C ATOM 303 C ARG B 9 -38.650 -1.711 41.046 1.00 0.00 C ATOM 304 O ARG B 9 -39.740 -1.507 40.520 1.00 0.00 O ATOM 305 CB ARG B 9 -38.507 -0.544 43.318 1.00 0.00 C ATOM 306 CG ARG B 9 -37.750 0.340 44.332 1.00 0.00 C ATOM 307 CD ARG B 9 -36.345 -0.174 44.700 1.00 0.00 C ATOM 308 NE ARG B 9 -35.690 0.792 45.622 1.00 0.00 N ATOM 309 CZ ARG B 9 -34.729 1.655 45.300 1.00 0.00 C ATOM 310 NH1 ARG B 9 -34.251 1.811 44.101 1.00 0.00 N ATOM 311 NH2 ARG B 9 -34.256 2.402 46.239 1.00 0.00 N ATOM 0 H ARG B 9 -39.049 0.757 40.745 1.00 0.00 H new ATOM 0 HA ARG B 9 -36.862 -0.838 41.968 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -39.534 -0.184 43.253 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -38.549 -1.558 43.716 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -37.660 1.346 43.922 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -38.345 0.419 45.242 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -36.417 -1.153 45.173 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -35.744 -0.298 43.799 1.00 0.00 H new ATOM 0 HE ARG B 9 -36.007 0.793 46.592 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -34.614 1.250 43.330 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -33.513 2.494 43.931 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -34.619 2.319 47.189 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -33.519 3.076 46.032 1.00 0.00 H new ATOM 325 N MET B 10 -38.030 -2.874 40.914 1.00 0.00 N ATOM 326 CA MET B 10 -38.561 -4.015 40.095 1.00 0.00 C ATOM 327 C MET B 10 -40.030 -4.524 40.406 1.00 0.00 C ATOM 328 O MET B 10 -40.586 -4.283 41.476 1.00 0.00 O ATOM 329 CB MET B 10 -37.470 -5.125 40.020 1.00 0.00 C ATOM 330 CG MET B 10 -37.002 -5.829 41.316 1.00 0.00 C ATOM 331 SD MET B 10 -38.337 -6.773 42.074 1.00 0.00 S ATOM 332 CE MET B 10 -38.875 -5.621 43.346 1.00 0.00 C ATOM 0 H MET B 10 -37.138 -3.079 41.364 1.00 0.00 H new ATOM 0 HA MET B 10 -38.744 -3.621 39.095 1.00 0.00 H new ATOM 0 HB2 MET B 10 -37.837 -5.897 39.344 1.00 0.00 H new ATOM 0 HB3 MET B 10 -36.589 -4.685 39.552 1.00 0.00 H new ATOM 0 HG2 MET B 10 -36.168 -6.493 41.090 1.00 0.00 H new ATOM 0 HG3 MET B 10 -36.634 -5.085 42.023 1.00 0.00 H new ATOM 0 HE1 MET B 10 -39.957 -5.686 43.461 1.00 0.00 H new ATOM 0 HE2 MET B 10 -38.394 -5.872 44.291 1.00 0.00 H new ATOM 0 HE3 MET B 10 -38.601 -4.606 43.057 1.00 0.00 H new ATOM 342 N SER B 11 -40.681 -5.200 39.452 1.00 0.00 N ATOM 343 CA SER B 11 -42.039 -5.811 39.642 1.00 0.00 C ATOM 344 C SER B 11 -42.036 -7.377 39.596 1.00 0.00 C ATOM 345 O SER B 11 -41.040 -7.994 39.210 1.00 0.00 O ATOM 346 CB SER B 11 -43.029 -5.166 38.645 1.00 0.00 C ATOM 347 OG SER B 11 -42.907 -5.688 37.322 1.00 0.00 O ATOM 0 H SER B 11 -40.297 -5.349 38.519 1.00 0.00 H new ATOM 0 HA SER B 11 -42.376 -5.589 40.655 1.00 0.00 H new ATOM 0 HB2 SER B 11 -44.048 -5.324 38.999 1.00 0.00 H new ATOM 0 HB3 SER B 11 -42.863 -4.089 38.622 1.00 0.00 H new ATOM 0 HG SER B 11 -43.556 -5.247 36.735 1.00 0.00 H new ATOM 353 N ARG B 12 -43.123 -8.040 40.055 1.00 0.00 N ATOM 354 CA ARG B 12 -43.187 -9.542 40.211 1.00 0.00 C ATOM 355 C ARG B 12 -42.088 -10.302 41.063 1.00 0.00 C ATOM 356 O ARG B 12 -42.065 -11.536 41.052 1.00 0.00 O ATOM 357 CB ARG B 12 -43.347 -10.216 38.809 1.00 0.00 C ATOM 358 CG ARG B 12 -44.665 -9.924 38.066 1.00 0.00 C ATOM 359 CD ARG B 12 -44.691 -10.537 36.659 1.00 0.00 C ATOM 360 NE ARG B 12 -45.885 -10.006 35.946 1.00 0.00 N ATOM 361 CZ ARG B 12 -46.386 -10.468 34.813 1.00 0.00 C ATOM 362 NH1 ARG B 12 -45.928 -11.503 34.205 1.00 0.00 N ATOM 363 NH2 ARG B 12 -47.360 -9.830 34.267 1.00 0.00 N ATOM 0 H ARG B 12 -43.984 -7.567 40.331 1.00 0.00 H new ATOM 0 HA ARG B 12 -44.063 -9.657 40.850 1.00 0.00 H new ATOM 0 HB2 ARG B 12 -42.518 -9.896 38.177 1.00 0.00 H new ATOM 0 HB3 ARG B 12 -43.255 -11.295 38.934 1.00 0.00 H new ATOM 0 HG2 ARG B 12 -45.501 -10.316 38.646 1.00 0.00 H new ATOM 0 HG3 ARG B 12 -44.806 -8.846 37.992 1.00 0.00 H new ATOM 0 HD2 ARG B 12 -43.780 -10.284 36.117 1.00 0.00 H new ATOM 0 HD3 ARG B 12 -44.735 -11.624 36.718 1.00 0.00 H new ATOM 0 HE ARG B 12 -46.361 -9.211 36.372 1.00 0.00 H new ATOM 0 HH11 ARG B 12 -45.136 -12.015 34.595 1.00 0.00 H new ATOM 0 HH12 ARG B 12 -46.356 -11.813 33.333 1.00 0.00 H new ATOM 0 HH21 ARG B 12 -47.729 -8.988 34.708 1.00 0.00 H new ATOM 0 HH22 ARG B 12 -47.764 -10.166 33.393 1.00 0.00 H new ATOM 377 N SER B 13 -41.141 -9.617 41.734 1.00 0.00 N ATOM 378 CA SER B 13 -39.737 -10.117 41.915 1.00 0.00 C ATOM 379 C SER B 13 -38.878 -10.148 40.596 1.00 0.00 C ATOM 380 O SER B 13 -37.836 -9.493 40.531 1.00 0.00 O ATOM 381 CB SER B 13 -39.615 -11.391 42.791 1.00 0.00 C ATOM 382 OG SER B 13 -38.264 -11.598 43.211 1.00 0.00 O ATOM 0 H SER B 13 -41.311 -8.709 42.167 1.00 0.00 H new ATOM 0 HA SER B 13 -39.262 -9.341 42.516 1.00 0.00 H new ATOM 0 HB2 SER B 13 -40.261 -11.299 43.664 1.00 0.00 H new ATOM 0 HB3 SER B 13 -39.961 -12.258 42.228 1.00 0.00 H new ATOM 0 HG SER B 13 -38.213 -12.406 43.763 1.00 0.00 H new ATOM 388 N SER B 14 -39.311 -10.886 39.556 1.00 0.00 N ATOM 389 CA SER B 14 -38.704 -10.829 38.195 1.00 0.00 C ATOM 390 C SER B 14 -39.774 -10.520 37.087 1.00 0.00 C ATOM 391 O SER B 14 -40.368 -11.432 36.499 1.00 0.00 O ATOM 392 CB SER B 14 -37.956 -12.167 37.974 1.00 0.00 C ATOM 393 OG SER B 14 -37.348 -12.211 36.682 1.00 0.00 O ATOM 0 H SER B 14 -40.090 -11.541 39.627 1.00 0.00 H new ATOM 0 HA SER B 14 -37.996 -10.004 38.119 1.00 0.00 H new ATOM 0 HB2 SER B 14 -37.193 -12.291 38.742 1.00 0.00 H new ATOM 0 HB3 SER B 14 -38.653 -12.998 38.079 1.00 0.00 H new ATOM 0 HG SER B 14 -36.881 -13.065 36.569 1.00 0.00 H new ATOM 399 N GLY B 15 -40.002 -9.235 36.761 1.00 0.00 N ATOM 400 CA GLY B 15 -40.883 -8.835 35.632 1.00 0.00 C ATOM 401 C GLY B 15 -40.402 -7.548 34.937 1.00 0.00 C ATOM 402 O GLY B 15 -39.488 -7.593 34.111 1.00 0.00 O ATOM 0 H GLY B 15 -39.590 -8.448 37.262 1.00 0.00 H new ATOM 0 HA2 GLY B 15 -40.924 -9.644 34.903 1.00 0.00 H new ATOM 0 HA3 GLY B 15 -41.898 -8.687 36.002 1.00 0.00 H new ATOM 406 N ARG B 16 -41.054 -6.429 35.256 1.00 0.00 N ATOM 407 CA ARG B 16 -40.675 -5.054 34.819 1.00 0.00 C ATOM 408 C ARG B 16 -40.313 -4.176 36.065 1.00 0.00 C ATOM 409 O ARG B 16 -39.353 -4.484 36.777 1.00 0.00 O ATOM 410 CB ARG B 16 -41.724 -4.552 33.751 1.00 0.00 C ATOM 411 CG ARG B 16 -41.265 -4.520 32.267 1.00 0.00 C ATOM 412 CD ARG B 16 -40.755 -5.876 31.763 1.00 0.00 C ATOM 413 NE ARG B 16 -40.360 -5.836 30.326 1.00 0.00 N ATOM 414 CZ ARG B 16 -39.554 -6.718 29.739 1.00 0.00 C ATOM 415 NH1 ARG B 16 -38.989 -7.715 30.367 1.00 0.00 N ATOM 416 NH2 ARG B 16 -39.311 -6.579 28.474 1.00 0.00 N ATOM 0 H ARG B 16 -41.888 -6.438 35.843 1.00 0.00 H new ATOM 0 HA ARG B 16 -39.741 -4.995 34.260 1.00 0.00 H new ATOM 0 HB2 ARG B 16 -42.606 -5.189 33.818 1.00 0.00 H new ATOM 0 HB3 ARG B 16 -42.035 -3.545 34.030 1.00 0.00 H new ATOM 0 HG2 ARG B 16 -42.098 -4.198 31.643 1.00 0.00 H new ATOM 0 HG3 ARG B 16 -40.475 -3.777 32.154 1.00 0.00 H new ATOM 0 HD2 ARG B 16 -39.900 -6.186 32.364 1.00 0.00 H new ATOM 0 HD3 ARG B 16 -41.532 -6.628 31.903 1.00 0.00 H new ATOM 0 HE ARG B 16 -40.734 -5.080 29.752 1.00 0.00 H new ATOM 0 HH11 ARG B 16 -39.157 -7.850 31.364 1.00 0.00 H new ATOM 0 HH12 ARG B 16 -38.380 -8.358 29.860 1.00 0.00 H new ATOM 0 HH21 ARG B 16 -39.733 -5.809 27.955 1.00 0.00 H new ATOM 0 HH22 ARG B 16 -38.697 -7.239 27.997 1.00 0.00 H new ATOM 430 N VAL B 17 -40.990 -3.045 36.273 1.00 0.00 N ATOM 431 CA VAL B 17 -40.526 -1.969 37.205 1.00 0.00 C ATOM 432 C VAL B 17 -41.664 -0.986 37.648 1.00 0.00 C ATOM 433 O VAL B 17 -42.149 -0.176 36.847 1.00 0.00 O ATOM 434 CB VAL B 17 -39.260 -1.206 36.654 1.00 0.00 C ATOM 435 CG1 VAL B 17 -39.350 -0.725 35.188 1.00 0.00 C ATOM 436 CG2 VAL B 17 -38.869 0.011 37.517 1.00 0.00 C ATOM 0 H VAL B 17 -41.874 -2.832 35.811 1.00 0.00 H new ATOM 0 HA VAL B 17 -40.218 -2.486 38.114 1.00 0.00 H new ATOM 0 HB VAL B 17 -38.496 -1.982 36.704 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -38.426 -0.214 34.915 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -39.498 -1.583 34.532 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -40.190 -0.038 35.081 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -37.992 0.495 37.088 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -39.697 0.719 37.544 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -38.642 -0.320 38.530 1.00 0.00 H new ATOM 446 N TYR B 18 -41.888 -0.886 38.970 1.00 0.00 N ATOM 447 CA TYR B 18 -42.649 0.237 39.578 1.00 0.00 C ATOM 448 C TYR B 18 -41.730 1.456 39.955 1.00 0.00 C ATOM 449 O TYR B 18 -40.516 1.467 39.746 1.00 0.00 O ATOM 450 CB TYR B 18 -43.567 -0.353 40.690 1.00 0.00 C ATOM 451 CG TYR B 18 -43.000 -0.610 42.094 1.00 0.00 C ATOM 452 CD1 TYR B 18 -42.318 -1.796 42.357 1.00 0.00 C ATOM 453 CD2 TYR B 18 -43.252 0.282 43.141 1.00 0.00 C ATOM 454 CE1 TYR B 18 -41.859 -2.079 43.642 1.00 0.00 C ATOM 455 CE2 TYR B 18 -42.820 -0.016 44.432 1.00 0.00 C ATOM 456 CZ TYR B 18 -42.107 -1.185 44.678 1.00 0.00 C ATOM 457 OH TYR B 18 -41.645 -1.450 45.938 1.00 0.00 O ATOM 0 H TYR B 18 -41.553 -1.571 39.648 1.00 0.00 H new ATOM 0 HA TYR B 18 -43.318 0.711 38.860 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -44.416 0.321 40.801 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -43.958 -1.300 40.319 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -42.144 -2.502 41.558 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -43.782 1.203 42.949 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -41.312 -2.990 43.833 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -43.039 0.662 45.243 1.00 0.00 H new ATOM 0 HH TYR B 18 -41.905 -0.723 46.541 1.00 0.00 H new ATOM 467 N TYR B 19 -42.338 2.538 40.426 1.00 0.00 N ATOM 468 CA TYR B 19 -41.680 3.826 40.767 1.00 0.00 C ATOM 469 C TYR B 19 -42.305 4.314 42.103 1.00 0.00 C ATOM 470 O TYR B 19 -43.519 4.462 42.267 1.00 0.00 O ATOM 471 CB TYR B 19 -41.877 4.743 39.544 1.00 0.00 C ATOM 472 CG TYR B 19 -41.349 6.186 39.500 1.00 0.00 C ATOM 473 CD1 TYR B 19 -40.000 6.572 39.597 1.00 0.00 C ATOM 474 CD2 TYR B 19 -42.299 7.164 39.221 1.00 0.00 C ATOM 475 CE1 TYR B 19 -39.619 7.895 39.416 1.00 0.00 C ATOM 476 CE2 TYR B 19 -41.916 8.486 39.097 1.00 0.00 C ATOM 477 CZ TYR B 19 -40.581 8.855 39.155 1.00 0.00 C ATOM 478 OH TYR B 19 -40.207 10.152 38.948 1.00 0.00 O ATOM 0 H TYR B 19 -43.344 2.559 40.593 1.00 0.00 H new ATOM 0 HA TYR B 19 -40.606 3.779 40.947 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -41.438 4.224 38.692 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -42.951 4.798 39.365 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -39.249 5.828 39.816 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -43.337 6.890 39.101 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -38.577 8.173 39.479 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -42.670 9.245 38.952 1.00 0.00 H new ATOM 0 HH TYR B 19 -39.740 10.225 38.090 1.00 0.00 H new ATOM 488 N PHE B 20 -41.425 4.467 43.079 1.00 0.00 N ATOM 489 CA PHE B 20 -41.790 4.452 44.518 1.00 0.00 C ATOM 490 C PHE B 20 -41.304 5.737 45.242 1.00 0.00 C ATOM 491 O PHE B 20 -40.103 6.020 45.252 1.00 0.00 O ATOM 492 CB PHE B 20 -41.132 3.163 45.096 1.00 0.00 C ATOM 493 CG PHE B 20 -41.403 2.833 46.580 1.00 0.00 C ATOM 494 CD1 PHE B 20 -42.695 2.774 47.083 1.00 0.00 C ATOM 495 CD2 PHE B 20 -40.339 2.561 47.424 1.00 0.00 C ATOM 496 CE1 PHE B 20 -42.924 2.472 48.420 1.00 0.00 C ATOM 497 CE2 PHE B 20 -40.557 2.253 48.762 1.00 0.00 C ATOM 498 CZ PHE B 20 -41.860 2.207 49.319 1.00 0.00 C ATOM 0 H PHE B 20 -40.428 4.607 42.912 1.00 0.00 H new ATOM 0 HA PHE B 20 -42.870 4.441 44.663 1.00 0.00 H new ATOM 0 HB2 PHE B 20 -41.465 2.316 44.496 1.00 0.00 H new ATOM 0 HB3 PHE B 20 -40.054 3.245 44.960 1.00 0.00 H new ATOM 0 HD1 PHE B 20 -43.532 2.965 46.428 1.00 0.00 H new ATOM 0 HD2 PHE B 20 -39.330 2.588 47.039 1.00 0.00 H new ATOM 0 HE1 PHE B 20 -43.940 2.438 48.784 1.00 0.00 H new ATOM 0 HE2 PHE B 20 -39.708 2.042 49.396 1.00 0.00 H new ATOM 0 HZ PHE B 20 -42.031 1.984 50.362 1.00 0.00 H new ATOM 508 N ASN B 21 -42.201 6.465 45.925 1.00 0.00 N ATOM 509 CA ASN B 21 -41.782 7.500 46.909 1.00 0.00 C ATOM 510 C ASN B 21 -41.345 6.797 48.245 1.00 0.00 C ATOM 511 O ASN B 21 -42.177 6.244 48.965 1.00 0.00 O ATOM 512 CB ASN B 21 -42.935 8.530 47.090 1.00 0.00 C ATOM 513 CG ASN B 21 -42.609 9.965 47.520 1.00 0.00 C ATOM 514 OD1 ASN B 21 -43.329 10.901 47.201 1.00 0.00 O ATOM 515 ND2 ASN B 21 -41.569 10.216 48.267 1.00 0.00 N ATOM 0 H ASN B 21 -43.211 6.365 45.823 1.00 0.00 H new ATOM 0 HA ASN B 21 -40.916 8.059 46.554 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -43.472 8.587 46.143 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -43.627 8.119 47.825 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -41.376 11.171 48.568 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -40.949 9.457 48.550 1.00 0.00 H new ATOM 522 N HIS B 22 -40.038 6.793 48.545 1.00 0.00 N ATOM 523 CA HIS B 22 -39.453 6.043 49.701 1.00 0.00 C ATOM 524 C HIS B 22 -39.736 6.651 51.121 1.00 0.00 C ATOM 525 O HIS B 22 -40.080 5.934 52.060 1.00 0.00 O ATOM 526 CB HIS B 22 -37.918 5.891 49.425 1.00 0.00 C ATOM 527 CG HIS B 22 -37.429 4.455 49.318 1.00 0.00 C ATOM 528 ND1 HIS B 22 -37.289 3.612 50.397 1.00 0.00 N ATOM 529 CD2 HIS B 22 -37.015 3.807 48.146 1.00 0.00 C ATOM 530 CE1 HIS B 22 -36.803 2.496 49.775 1.00 0.00 C ATOM 531 NE2 HIS B 22 -36.604 2.501 48.414 1.00 0.00 N ATOM 0 H HIS B 22 -39.344 7.306 48.001 1.00 0.00 H new ATOM 0 HA HIS B 22 -39.953 5.076 49.755 1.00 0.00 H new ATOM 0 HB2 HIS B 22 -37.676 6.412 48.499 1.00 0.00 H new ATOM 0 HB3 HIS B 22 -37.368 6.389 50.224 1.00 0.00 H new ATOM 0 HD1 HIS B 22 -37.491 3.774 51.383 1.00 0.00 H new ATOM 0 HD2 HIS B 22 -37.014 4.259 47.165 1.00 0.00 H new ATOM 0 HE1 HIS B 22 -36.576 1.611 50.351 1.00 0.00 H new ATOM 539 N ILE B 23 -39.569 7.973 51.255 1.00 0.00 N ATOM 540 CA ILE B 23 -39.903 8.758 52.490 1.00 0.00 C ATOM 541 C ILE B 23 -41.429 8.822 52.872 1.00 0.00 C ATOM 542 O ILE B 23 -41.774 8.702 54.048 1.00 0.00 O ATOM 543 CB ILE B 23 -39.224 10.178 52.402 1.00 0.00 C ATOM 544 CG1 ILE B 23 -39.627 11.003 51.136 1.00 0.00 C ATOM 545 CG2 ILE B 23 -37.683 10.080 52.565 1.00 0.00 C ATOM 546 CD1 ILE B 23 -39.061 12.421 51.008 1.00 0.00 C ATOM 0 H ILE B 23 -39.193 8.554 50.506 1.00 0.00 H new ATOM 0 HA ILE B 23 -39.485 8.205 53.331 1.00 0.00 H new ATOM 0 HB ILE B 23 -39.619 10.745 53.245 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -39.322 10.438 50.255 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -40.715 11.071 51.111 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -37.246 11.076 52.499 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -37.447 9.643 53.535 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -37.273 9.451 51.775 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -39.422 12.875 50.085 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -39.386 13.021 51.858 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -37.972 12.378 50.989 1.00 0.00 H new ATOM 558 N THR B 24 -42.332 8.991 51.893 1.00 0.00 N ATOM 559 CA THR B 24 -43.807 8.814 52.083 1.00 0.00 C ATOM 560 C THR B 24 -44.297 7.326 52.244 1.00 0.00 C ATOM 561 O THR B 24 -45.199 7.064 53.040 1.00 0.00 O ATOM 562 CB THR B 24 -44.487 9.538 50.874 1.00 0.00 C ATOM 563 OG1 THR B 24 -44.251 10.940 50.922 1.00 0.00 O ATOM 564 CG2 THR B 24 -46.008 9.382 50.768 1.00 0.00 C ATOM 0 H THR B 24 -42.075 9.254 50.942 1.00 0.00 H new ATOM 0 HA THR B 24 -44.094 9.251 53.040 1.00 0.00 H new ATOM 0 HB THR B 24 -44.030 9.047 50.015 1.00 0.00 H new ATOM 0 HG1 THR B 24 -44.684 11.371 50.156 1.00 0.00 H new ATOM 0 HG21 THR B 24 -46.369 9.925 49.894 1.00 0.00 H new ATOM 0 HG22 THR B 24 -46.259 8.326 50.669 1.00 0.00 H new ATOM 0 HG23 THR B 24 -46.478 9.784 51.665 1.00 0.00 H new ATOM 572 N ASN B 25 -43.771 6.405 51.417 1.00 0.00 N ATOM 573 CA ASN B 25 -44.323 5.038 51.164 1.00 0.00 C ATOM 574 C ASN B 25 -45.543 5.069 50.169 1.00 0.00 C ATOM 575 O ASN B 25 -46.688 4.815 50.553 1.00 0.00 O ATOM 576 CB ASN B 25 -44.501 4.196 52.464 1.00 0.00 C ATOM 577 CG ASN B 25 -44.662 2.689 52.268 1.00 0.00 C ATOM 578 OD1 ASN B 25 -43.715 1.917 52.323 1.00 0.00 O ATOM 579 ND2 ASN B 25 -45.856 2.212 52.034 1.00 0.00 N ATOM 0 H ASN B 25 -42.921 6.586 50.883 1.00 0.00 H new ATOM 0 HA ASN B 25 -43.568 4.466 50.625 1.00 0.00 H new ATOM 0 HB2 ASN B 25 -43.638 4.369 53.106 1.00 0.00 H new ATOM 0 HB3 ASN B 25 -45.375 4.569 52.998 1.00 0.00 H new ATOM 0 HD21 ASN B 25 -45.987 1.209 51.900 1.00 0.00 H new ATOM 0 HD22 ASN B 25 -46.656 2.842 51.985 1.00 0.00 H new ATOM 586 N ALA B 26 -45.285 5.365 48.880 1.00 0.00 N ATOM 587 CA ALA B 26 -46.336 5.427 47.827 1.00 0.00 C ATOM 588 C ALA B 26 -45.871 4.712 46.518 1.00 0.00 C ATOM 589 O ALA B 26 -44.953 5.176 45.832 1.00 0.00 O ATOM 590 CB ALA B 26 -46.689 6.910 47.596 1.00 0.00 C ATOM 0 H ALA B 26 -44.348 5.568 48.533 1.00 0.00 H new ATOM 0 HA ALA B 26 -47.230 4.893 48.151 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -47.458 6.985 46.828 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -47.059 7.345 48.524 1.00 0.00 H new ATOM 0 HB3 ALA B 26 -45.799 7.450 47.272 1.00 0.00 H new ATOM 596 N SER B 27 -46.491 3.568 46.181 1.00 0.00 N ATOM 597 CA SER B 27 -46.144 2.775 44.968 1.00 0.00 C ATOM 598 C SER B 27 -47.034 3.082 43.727 1.00 0.00 C ATOM 599 O SER B 27 -48.245 2.844 43.719 1.00 0.00 O ATOM 600 CB SER B 27 -46.192 1.273 45.314 1.00 0.00 C ATOM 601 OG SER B 27 -47.461 0.858 45.829 1.00 0.00 O ATOM 0 H SER B 27 -47.245 3.160 46.733 1.00 0.00 H new ATOM 0 HA SER B 27 -45.136 3.070 44.676 1.00 0.00 H new ATOM 0 HB2 SER B 27 -45.961 0.693 44.421 1.00 0.00 H new ATOM 0 HB3 SER B 27 -45.418 1.050 46.048 1.00 0.00 H new ATOM 0 HG SER B 27 -48.177 1.320 45.345 1.00 0.00 H new ATOM 607 N GLN B 28 -46.375 3.558 42.672 1.00 0.00 N ATOM 608 CA GLN B 28 -46.979 3.768 41.323 1.00 0.00 C ATOM 609 C GLN B 28 -45.972 3.334 40.193 1.00 0.00 C ATOM 610 O GLN B 28 -45.030 2.583 40.432 1.00 0.00 O ATOM 611 CB GLN B 28 -47.560 5.217 41.271 1.00 0.00 C ATOM 612 CG GLN B 28 -46.569 6.408 41.325 1.00 0.00 C ATOM 613 CD GLN B 28 -47.293 7.749 41.469 1.00 0.00 C ATOM 614 OE1 GLN B 28 -47.463 8.477 40.399 1.00 0.00 O flip ATOM 615 NE2 GLN B 28 -47.743 8.143 42.539 1.00 0.00 N flip ATOM 0 H GLN B 28 -45.390 3.818 42.713 1.00 0.00 H new ATOM 0 HA GLN B 28 -47.833 3.119 41.129 1.00 0.00 H new ATOM 0 HB2 GLN B 28 -48.141 5.309 40.354 1.00 0.00 H new ATOM 0 HB3 GLN B 28 -48.257 5.326 42.102 1.00 0.00 H new ATOM 0 HG2 GLN B 28 -45.885 6.273 42.163 1.00 0.00 H new ATOM 0 HG3 GLN B 28 -45.964 6.418 40.418 1.00 0.00 H new ATOM 0 HE21 GLN B 28 -47.617 7.583 43.382 1.00 0.00 H new ATOM 0 HE22 GLN B 28 -48.244 9.030 42.586 1.00 0.00 H new ATOM 624 N TRP B 29 -46.185 3.729 38.940 1.00 0.00 N ATOM 625 CA TRP B 29 -45.205 3.620 37.801 1.00 0.00 C ATOM 626 C TRP B 29 -44.894 5.028 37.114 1.00 0.00 C ATOM 627 O TRP B 29 -44.040 5.098 36.222 1.00 0.00 O ATOM 628 CB TRP B 29 -45.834 2.610 36.786 1.00 0.00 C ATOM 629 CG TRP B 29 -45.654 1.120 37.057 1.00 0.00 C ATOM 630 CD1 TRP B 29 -46.082 0.458 38.211 1.00 0.00 C ATOM 631 CD2 TRP B 29 -45.189 0.123 36.211 1.00 0.00 C ATOM 632 NE1 TRP B 29 -45.871 -0.914 38.141 1.00 0.00 N ATOM 633 CE2 TRP B 29 -45.300 -1.102 36.905 1.00 0.00 C ATOM 634 CE3 TRP B 29 -44.763 0.140 34.852 1.00 0.00 C ATOM 635 CZ2 TRP B 29 -44.973 -2.313 36.269 1.00 0.00 C ATOM 636 CZ3 TRP B 29 -44.468 -1.080 34.234 1.00 0.00 C ATOM 637 CH2 TRP B 29 -44.582 -2.290 34.932 1.00 0.00 C ATOM 0 H TRP B 29 -47.068 4.152 38.653 1.00 0.00 H new ATOM 0 HA TRP B 29 -44.238 3.273 38.165 1.00 0.00 H new ATOM 0 HB2 TRP B 29 -46.904 2.813 36.732 1.00 0.00 H new ATOM 0 HB3 TRP B 29 -45.419 2.823 35.801 1.00 0.00 H new ATOM 0 HD1 TRP B 29 -46.526 0.956 39.060 1.00 0.00 H new ATOM 0 HE1 TRP B 29 -46.090 -1.619 38.845 1.00 0.00 H new ATOM 0 HE3 TRP B 29 -44.670 1.071 34.312 1.00 0.00 H new ATOM 0 HZ2 TRP B 29 -45.024 -3.247 36.809 1.00 0.00 H new ATOM 0 HZ3 TRP B 29 -44.147 -1.090 33.203 1.00 0.00 H new ATOM 0 HH2 TRP B 29 -44.363 -3.219 34.426 1.00 0.00 H new ATOM 648 N GLU B 30 -45.537 6.131 37.557 1.00 0.00 N ATOM 649 CA GLU B 30 -45.846 7.343 36.753 1.00 0.00 C ATOM 650 C GLU B 30 -45.201 8.629 37.362 1.00 0.00 C ATOM 651 O GLU B 30 -45.040 8.801 38.573 1.00 0.00 O ATOM 652 CB GLU B 30 -47.393 7.568 36.731 1.00 0.00 C ATOM 653 CG GLU B 30 -48.324 6.526 36.055 1.00 0.00 C ATOM 654 CD GLU B 30 -48.591 5.215 36.771 1.00 0.00 C ATOM 655 OE1 GLU B 30 -48.492 5.152 38.013 1.00 0.00 O ATOM 656 OE2 GLU B 30 -48.917 4.233 36.079 1.00 0.00 O ATOM 0 H GLU B 30 -45.869 6.208 38.518 1.00 0.00 H new ATOM 0 HA GLU B 30 -45.444 7.177 35.754 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -47.720 7.670 37.766 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -47.573 8.526 36.244 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -49.286 7.008 35.878 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -47.901 6.289 35.079 1.00 0.00 H new ATOM 663 N ARG B 31 -44.857 9.567 36.480 1.00 0.00 N ATOM 664 CA ARG B 31 -43.909 10.664 36.789 1.00 0.00 C ATOM 665 C ARG B 31 -44.512 11.952 37.487 1.00 0.00 C ATOM 666 O ARG B 31 -45.334 12.613 36.846 1.00 0.00 O ATOM 667 CB ARG B 31 -43.067 10.854 35.493 1.00 0.00 C ATOM 668 CG ARG B 31 -41.521 10.738 35.681 1.00 0.00 C ATOM 669 CD ARG B 31 -40.737 10.377 34.399 1.00 0.00 C ATOM 670 NE ARG B 31 -41.057 11.286 33.259 1.00 0.00 N ATOM 671 CZ ARG B 31 -40.254 11.573 32.245 1.00 0.00 C ATOM 672 NH1 ARG B 31 -39.055 11.101 32.088 1.00 0.00 N ATOM 673 NH2 ARG B 31 -40.667 12.416 31.376 1.00 0.00 N ATOM 0 H ARG B 31 -45.222 9.597 35.528 1.00 0.00 H new ATOM 0 HA ARG B 31 -43.250 10.396 37.614 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -43.384 10.112 34.761 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -43.293 11.834 35.072 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -41.144 11.686 36.066 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -41.317 9.982 36.440 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -39.668 10.422 34.606 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -40.964 9.349 34.115 1.00 0.00 H new ATOM 0 HE ARG B 31 -41.977 11.726 33.261 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -38.666 10.457 32.777 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -38.502 11.374 31.276 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -41.588 12.843 31.477 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -40.076 12.661 30.582 1.00 0.00 H new ATOM 687 N PRO B 32 -44.112 12.396 38.735 1.00 0.00 N ATOM 688 CA PRO B 32 -44.623 13.646 39.404 1.00 0.00 C ATOM 689 C PRO B 32 -44.234 15.045 38.759 1.00 0.00 C ATOM 690 O PRO B 32 -44.063 16.044 39.462 1.00 0.00 O ATOM 691 CB PRO B 32 -44.001 13.519 40.836 1.00 0.00 C ATOM 692 CG PRO B 32 -42.762 12.684 40.626 1.00 0.00 C ATOM 693 CD PRO B 32 -43.181 11.663 39.601 1.00 0.00 C ATOM 0 HA PRO B 32 -45.710 13.679 39.333 1.00 0.00 H new ATOM 0 HB2 PRO B 32 -43.757 14.496 41.253 1.00 0.00 H new ATOM 0 HB3 PRO B 32 -44.692 13.040 41.530 1.00 0.00 H new ATOM 0 HG2 PRO B 32 -41.928 13.289 40.269 1.00 0.00 H new ATOM 0 HG3 PRO B 32 -42.438 12.210 41.553 1.00 0.00 H new ATOM 0 HD2 PRO B 32 -42.326 11.286 39.040 1.00 0.00 H new ATOM 0 HD3 PRO B 32 -43.661 10.803 40.067 1.00 0.00 H new ATOM 701 N SER B 33 -44.071 15.127 37.430 1.00 0.00 N ATOM 702 CA SER B 33 -43.697 16.371 36.680 1.00 0.00 C ATOM 703 C SER B 33 -42.233 16.924 36.766 1.00 0.00 C ATOM 704 O SER B 33 -41.730 17.406 35.746 1.00 0.00 O ATOM 705 CB SER B 33 -44.744 17.500 36.780 1.00 0.00 C ATOM 706 OG SER B 33 -46.011 17.072 36.280 1.00 0.00 O ATOM 0 H SER B 33 -44.195 14.320 36.818 1.00 0.00 H new ATOM 0 HA SER B 33 -43.707 15.956 35.672 1.00 0.00 H new ATOM 0 HB2 SER B 33 -44.847 17.814 37.819 1.00 0.00 H new ATOM 0 HB3 SER B 33 -44.402 18.368 36.217 1.00 0.00 H new ATOM 0 HG SER B 33 -46.657 17.805 36.356 1.00 0.00 H new