USER MOD reduce.3.24.130724 H: found=0, std=0, add=342, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 344 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 : A 17 LYS NZ :NH3+ -135:sc= -8.64! (180deg=-14.6!) USER MOD Single : A 21 ASN :FLIP amide:sc= -1.62 F(o=-2.7,f=-1.6) USER MOD Single : A 25 LYS NZ :NH3+ 144:sc= -0.404 (180deg=-1.79!) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.762! USER MOD Single : A 40 THR OG1 : rot 84:sc= -0.667! USER MOD Single : A 46 ASN : amide:sc= -3.32! C(o=-3.3!,f=-3.4!) USER MOD Single : A 48 SER OG : rot -85:sc= 1.13 USER MOD Single : A 50 CYS SG : rot 170:sc= -3.41 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 154:sc= -0.162 (180deg=-0.957) USER MOD ----------------------------------------------------------------- ATOM 194 N ARG A 12 -1.991 -2.507 -0.808 1.00 0.00 N ATOM 195 CA ARG A 12 -0.767 -2.569 -1.601 1.00 0.00 C ATOM 196 C ARG A 12 0.039 -1.278 -1.422 1.00 0.00 C ATOM 197 O ARG A 12 -0.356 -0.212 -1.893 1.00 0.00 O ATOM 198 CB ARG A 12 -1.068 -2.837 -3.093 1.00 0.00 C ATOM 199 CG ARG A 12 -2.546 -3.011 -3.428 1.00 0.00 C ATOM 200 CD ARG A 12 -2.971 -4.465 -3.297 1.00 0.00 C ATOM 201 NE ARG A 12 -4.334 -4.686 -3.774 1.00 0.00 N ATOM 202 CZ ARG A 12 -4.994 -5.833 -3.618 1.00 0.00 C ATOM 203 NH1 ARG A 12 -4.423 -6.852 -2.986 1.00 0.00 N ATOM 204 NH2 ARG A 12 -6.225 -5.961 -4.092 1.00 0.00 N ATOM 0 HA ARG A 12 -0.170 -3.407 -1.241 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -0.671 -2.011 -3.683 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -0.532 -3.735 -3.401 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.148 -2.392 -2.763 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.735 -2.664 -4.444 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -2.284 -5.095 -3.861 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -2.899 -4.770 -2.253 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.807 -3.920 -4.253 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -3.476 -6.758 -2.618 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -4.931 -7.729 -2.868 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.668 -5.181 -4.577 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.729 -6.840 -3.972 1.00 0.00 H new ATOM 218 N ILE A 13 1.153 -1.404 -0.698 1.00 0.00 N ATOM 219 CA ILE A 13 2.059 -0.289 -0.374 1.00 0.00 C ATOM 220 C ILE A 13 1.446 1.107 -0.536 1.00 0.00 C ATOM 221 O ILE A 13 1.291 1.607 -1.647 1.00 0.00 O ATOM 222 CB ILE A 13 3.354 -0.310 -1.200 1.00 0.00 C ATOM 223 CG1 ILE A 13 3.873 -1.724 -1.434 1.00 0.00 C ATOM 224 CG2 ILE A 13 4.418 0.523 -0.492 1.00 0.00 C ATOM 225 CD1 ILE A 13 4.427 -2.386 -0.193 1.00 0.00 C ATOM 0 H ILE A 13 1.460 -2.297 -0.312 1.00 0.00 H new ATOM 0 HA ILE A 13 2.269 -0.460 0.682 1.00 0.00 H new ATOM 0 HB ILE A 13 3.129 0.114 -2.178 1.00 0.00 H new ATOM 0 HG12 ILE A 13 3.063 -2.337 -1.830 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.652 -1.693 -2.196 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.338 0.510 -1.076 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.068 1.550 -0.390 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.609 0.105 0.496 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.776 -3.388 -0.440 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.259 -1.797 0.193 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.646 -2.451 0.564 1.00 0.00 H new ATOM 237 N VAL A 14 1.121 1.732 0.590 1.00 0.00 N ATOM 238 CA VAL A 14 0.559 3.086 0.592 1.00 0.00 C ATOM 239 C VAL A 14 1.664 4.130 0.778 1.00 0.00 C ATOM 240 O VAL A 14 1.479 5.301 0.449 1.00 0.00 O ATOM 241 CB VAL A 14 -0.513 3.276 1.702 1.00 0.00 C ATOM 242 CG1 VAL A 14 -0.137 2.507 2.932 1.00 0.00 C ATOM 243 CG2 VAL A 14 -0.701 4.732 2.085 1.00 0.00 C ATOM 0 H VAL A 14 1.236 1.325 1.518 1.00 0.00 H new ATOM 0 HA VAL A 14 0.077 3.225 -0.376 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.451 2.904 1.289 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.898 2.652 3.698 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.063 1.447 2.690 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.824 2.862 3.304 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.460 4.808 2.863 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.241 5.135 2.456 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.019 5.300 1.211 1.00 0.00 H new ATOM 253 N ASP A 15 2.810 3.709 1.319 1.00 0.00 N ATOM 254 CA ASP A 15 3.923 4.633 1.555 1.00 0.00 C ATOM 255 C ASP A 15 5.212 3.868 1.797 1.00 0.00 C ATOM 256 O ASP A 15 5.197 2.650 1.873 1.00 0.00 O ATOM 257 CB ASP A 15 3.626 5.538 2.746 1.00 0.00 C ATOM 258 CG ASP A 15 4.158 6.943 2.556 1.00 0.00 C ATOM 259 OD1 ASP A 15 4.352 7.353 1.392 1.00 0.00 O ATOM 260 OD2 ASP A 15 4.379 7.637 3.571 1.00 0.00 O ATOM 0 H ASP A 15 2.991 2.745 1.599 1.00 0.00 H new ATOM 0 HA ASP A 15 4.043 5.251 0.665 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.549 5.580 2.906 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.065 5.105 3.645 1.00 0.00 H new ATOM 265 N GLU A 16 6.340 4.561 1.835 1.00 0.00 N ATOM 266 CA GLU A 16 7.616 3.877 2.008 1.00 0.00 C ATOM 267 C GLU A 16 8.668 4.771 2.660 1.00 0.00 C ATOM 268 O GLU A 16 8.719 5.977 2.424 1.00 0.00 O ATOM 269 CB GLU A 16 8.120 3.383 0.649 1.00 0.00 C ATOM 270 CG GLU A 16 7.395 4.021 -0.519 1.00 0.00 C ATOM 271 CD GLU A 16 7.478 5.535 -0.506 1.00 0.00 C ATOM 272 OE1 GLU A 16 8.607 6.066 -0.457 1.00 0.00 O ATOM 273 OE2 GLU A 16 6.414 6.189 -0.540 1.00 0.00 O ATOM 0 H GLU A 16 6.401 5.576 1.751 1.00 0.00 H new ATOM 0 HA GLU A 16 7.451 3.032 2.676 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.187 3.592 0.565 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.002 2.301 0.595 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.818 3.647 -1.451 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.348 3.719 -0.500 1.00 0.00 H new ATOM 280 N LYS A 17 9.548 4.138 3.427 1.00 0.00 N ATOM 281 CA LYS A 17 10.656 4.810 4.077 1.00 0.00 C ATOM 282 C LYS A 17 11.954 4.231 3.559 1.00 0.00 C ATOM 283 O LYS A 17 12.226 3.030 3.741 1.00 0.00 O ATOM 284 CB LYS A 17 10.645 4.617 5.586 1.00 0.00 C ATOM 285 CG LYS A 17 9.885 5.687 6.354 1.00 0.00 C ATOM 286 CD LYS A 17 8.550 5.191 6.907 1.00 0.00 C ATOM 287 CE LYS A 17 8.495 3.675 7.067 1.00 0.00 C ATOM 288 NZ LYS A 17 8.227 2.991 5.767 1.00 0.00 N ATOM 0 H LYS A 17 9.508 3.136 3.614 1.00 0.00 H new ATOM 0 HA LYS A 17 10.561 5.873 3.857 1.00 0.00 H new ATOM 0 HB2 LYS A 17 10.206 3.645 5.812 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.674 4.593 5.944 1.00 0.00 H new ATOM 0 HG2 LYS A 17 10.503 6.043 7.178 1.00 0.00 H new ATOM 0 HG3 LYS A 17 9.706 6.539 5.698 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.368 5.659 7.874 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.747 5.510 6.242 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.439 3.318 7.478 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.716 3.413 7.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.506 2.254 5.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.884 3.686 5.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.104 2.556 5.417 1.00 0.00 H new ATOM 302 N LEU A 18 12.753 5.076 2.939 1.00 0.00 N ATOM 303 CA LEU A 18 14.035 4.661 2.409 1.00 0.00 C ATOM 304 C LEU A 18 15.150 5.150 3.312 1.00 0.00 C ATOM 305 O LEU A 18 14.925 5.965 4.208 1.00 0.00 O ATOM 306 CB LEU A 18 14.242 5.204 0.993 1.00 0.00 C ATOM 307 CG LEU A 18 12.998 5.199 0.102 1.00 0.00 C ATOM 308 CD1 LEU A 18 13.331 5.746 -1.279 1.00 0.00 C ATOM 309 CD2 LEU A 18 12.422 3.794 0.000 1.00 0.00 C ATOM 0 H LEU A 18 12.534 6.061 2.789 1.00 0.00 H new ATOM 0 HA LEU A 18 14.051 3.572 2.368 1.00 0.00 H new ATOM 0 HB2 LEU A 18 14.613 6.226 1.064 1.00 0.00 H new ATOM 0 HB3 LEU A 18 15.020 4.616 0.506 1.00 0.00 H new ATOM 0 HG LEU A 18 12.245 5.845 0.554 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.435 5.736 -1.900 1.00 0.00 H new ATOM 0 HD12 LEU A 18 13.697 6.769 -1.187 1.00 0.00 H new ATOM 0 HD13 LEU A 18 14.100 5.126 -1.740 1.00 0.00 H new ATOM 0 HD21 LEU A 18 11.538 3.809 -0.637 1.00 0.00 H new ATOM 0 HD22 LEU A 18 13.168 3.125 -0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 18 12.147 3.440 0.994 1.00 0.00 H new ATOM 321 N ASP A 19 16.347 4.648 3.080 1.00 0.00 N ATOM 322 CA ASP A 19 17.499 5.034 3.879 1.00 0.00 C ATOM 323 C ASP A 19 18.356 6.061 3.131 1.00 0.00 C ATOM 324 O ASP A 19 17.962 6.556 2.076 1.00 0.00 O ATOM 325 CB ASP A 19 18.304 3.785 4.247 1.00 0.00 C ATOM 326 CG ASP A 19 18.847 3.058 3.032 1.00 0.00 C ATOM 327 OD1 ASP A 19 19.128 3.724 2.013 1.00 0.00 O ATOM 328 OD2 ASP A 19 18.992 1.820 3.100 1.00 0.00 O ATOM 0 H ASP A 19 16.550 3.971 2.344 1.00 0.00 H new ATOM 0 HA ASP A 19 17.161 5.509 4.800 1.00 0.00 H new ATOM 0 HB2 ASP A 19 19.133 4.070 4.895 1.00 0.00 H new ATOM 0 HB3 ASP A 19 17.672 3.106 4.819 1.00 0.00 H new ATOM 333 N ARG A 20 19.524 6.379 3.682 1.00 0.00 N ATOM 334 CA ARG A 20 20.424 7.358 3.061 1.00 0.00 C ATOM 335 C ARG A 20 21.080 6.792 1.800 1.00 0.00 C ATOM 336 O ARG A 20 21.670 7.527 1.007 1.00 0.00 O ATOM 337 CB ARG A 20 21.504 7.792 4.056 1.00 0.00 C ATOM 338 CG ARG A 20 20.979 8.056 5.461 1.00 0.00 C ATOM 339 CD ARG A 20 20.185 9.351 5.527 1.00 0.00 C ATOM 340 NE ARG A 20 18.915 9.251 4.815 1.00 0.00 N ATOM 341 CZ ARG A 20 17.895 8.499 5.221 1.00 0.00 C ATOM 342 NH1 ARG A 20 17.989 7.785 6.336 1.00 0.00 N ATOM 343 NH2 ARG A 20 16.775 8.462 4.512 1.00 0.00 N ATOM 0 H ARG A 20 19.872 5.978 4.553 1.00 0.00 H new ATOM 0 HA ARG A 20 19.826 8.223 2.775 1.00 0.00 H new ATOM 0 HB2 ARG A 20 22.271 7.019 4.105 1.00 0.00 H new ATOM 0 HB3 ARG A 20 21.986 8.696 3.683 1.00 0.00 H new ATOM 0 HG2 ARG A 20 20.348 7.225 5.776 1.00 0.00 H new ATOM 0 HG3 ARG A 20 21.815 8.105 6.159 1.00 0.00 H new ATOM 0 HD2 ARG A 20 19.997 9.608 6.569 1.00 0.00 H new ATOM 0 HD3 ARG A 20 20.777 10.161 5.101 1.00 0.00 H new ATOM 0 HE ARG A 20 18.803 9.789 3.956 1.00 0.00 H new ATOM 0 HH11 ARG A 20 18.847 7.811 6.887 1.00 0.00 H new ATOM 0 HH12 ARG A 20 17.203 7.211 6.642 1.00 0.00 H new ATOM 0 HH21 ARG A 20 16.695 9.010 3.655 1.00 0.00 H new ATOM 0 HH22 ARG A 20 15.993 7.886 4.823 1.00 0.00 H new ATOM 357 N ASN A 21 20.980 5.480 1.635 1.00 0.00 N ATOM 358 CA ASN A 21 21.558 4.795 0.498 1.00 0.00 C ATOM 359 C ASN A 21 20.528 4.644 -0.610 1.00 0.00 C ATOM 360 O ASN A 21 20.839 4.186 -1.709 1.00 0.00 O ATOM 361 CB ASN A 21 22.076 3.421 0.923 1.00 0.00 C ATOM 362 CG ASN A 21 22.190 3.260 2.427 1.00 0.00 C ATOM 363 OD1 ASN A 21 21.564 2.216 2.953 1.00 0.00 O flip ATOM 364 ND2 ASN A 21 22.830 4.064 3.103 1.00 0.00 N flip ATOM 0 H ASN A 21 20.495 4.865 2.288 1.00 0.00 H new ATOM 0 HA ASN A 21 22.391 5.388 0.120 1.00 0.00 H new ATOM 0 HB2 ASN A 21 21.409 2.652 0.532 1.00 0.00 H new ATOM 0 HB3 ASN A 21 23.054 3.254 0.472 1.00 0.00 H new ATOM 0 HD21 ASN A 21 23.295 4.852 2.653 1.00 0.00 H new ATOM 0 HD22 ASN A 21 22.896 3.942 4.114 1.00 0.00 H new ATOM 371 N GLY A 22 19.298 5.027 -0.303 1.00 0.00 N ATOM 372 CA GLY A 22 18.229 4.924 -1.257 1.00 0.00 C ATOM 373 C GLY A 22 17.632 3.535 -1.277 1.00 0.00 C ATOM 374 O GLY A 22 16.992 3.128 -2.246 1.00 0.00 O ATOM 0 H GLY A 22 19.026 5.411 0.602 1.00 0.00 H new ATOM 0 HA2 GLY A 22 17.453 5.650 -1.015 1.00 0.00 H new ATOM 0 HA3 GLY A 22 18.602 5.175 -2.250 1.00 0.00 H new ATOM 378 N ALA A 23 17.850 2.812 -0.186 1.00 0.00 N ATOM 379 CA ALA A 23 17.352 1.468 -0.030 1.00 0.00 C ATOM 380 C ALA A 23 16.040 1.495 0.728 1.00 0.00 C ATOM 381 O ALA A 23 15.805 2.378 1.551 1.00 0.00 O ATOM 382 CB ALA A 23 18.383 0.618 0.694 1.00 0.00 C ATOM 0 H ALA A 23 18.382 3.151 0.616 1.00 0.00 H new ATOM 0 HA ALA A 23 17.173 1.027 -1.011 1.00 0.00 H new ATOM 0 HB1 ALA A 23 18.002 -0.397 0.809 1.00 0.00 H new ATOM 0 HB2 ALA A 23 19.307 0.595 0.116 1.00 0.00 H new ATOM 0 HB3 ALA A 23 18.581 1.045 1.677 1.00 0.00 H new ATOM 388 N VAL A 24 15.180 0.545 0.433 1.00 0.00 N ATOM 389 CA VAL A 24 13.875 0.481 1.070 1.00 0.00 C ATOM 390 C VAL A 24 13.935 -0.248 2.405 1.00 0.00 C ATOM 391 O VAL A 24 14.133 -1.462 2.453 1.00 0.00 O ATOM 392 CB VAL A 24 12.870 -0.206 0.149 1.00 0.00 C ATOM 393 CG1 VAL A 24 11.467 -0.082 0.716 1.00 0.00 C ATOM 394 CG2 VAL A 24 12.968 0.394 -1.249 1.00 0.00 C ATOM 0 H VAL A 24 15.358 -0.197 -0.244 1.00 0.00 H new ATOM 0 HA VAL A 24 13.552 1.505 1.260 1.00 0.00 H new ATOM 0 HB VAL A 24 13.101 -1.269 0.080 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.760 -0.576 0.049 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.429 -0.552 1.699 1.00 0.00 H new ATOM 0 HG13 VAL A 24 11.203 0.972 0.808 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.250 -0.097 -1.907 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.748 1.461 -1.203 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.976 0.248 -1.638 1.00 0.00 H new ATOM 404 N LYS A 25 13.777 0.506 3.486 1.00 0.00 N ATOM 405 CA LYS A 25 13.831 -0.063 4.823 1.00 0.00 C ATOM 406 C LYS A 25 12.450 -0.468 5.341 1.00 0.00 C ATOM 407 O LYS A 25 12.328 -1.457 6.063 1.00 0.00 O ATOM 408 CB LYS A 25 14.482 0.927 5.795 1.00 0.00 C ATOM 409 CG LYS A 25 15.989 1.039 5.627 1.00 0.00 C ATOM 410 CD LYS A 25 16.729 0.167 6.630 1.00 0.00 C ATOM 411 CE LYS A 25 17.521 -0.931 5.938 1.00 0.00 C ATOM 412 NZ LYS A 25 18.288 -0.412 4.773 1.00 0.00 N ATOM 0 H LYS A 25 13.611 1.512 3.461 1.00 0.00 H new ATOM 0 HA LYS A 25 14.435 -0.968 4.760 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.034 1.911 5.653 1.00 0.00 H new ATOM 0 HB3 LYS A 25 14.260 0.620 6.817 1.00 0.00 H new ATOM 0 HG2 LYS A 25 16.266 0.746 4.614 1.00 0.00 H new ATOM 0 HG3 LYS A 25 16.294 2.078 5.752 1.00 0.00 H new ATOM 0 HD2 LYS A 25 17.404 0.785 7.223 1.00 0.00 H new ATOM 0 HD3 LYS A 25 16.015 -0.279 7.322 1.00 0.00 H new ATOM 0 HE2 LYS A 25 18.208 -1.387 6.651 1.00 0.00 H new ATOM 0 HE3 LYS A 25 16.840 -1.715 5.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 19.198 -0.912 4.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 17.742 -0.567 3.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 18.461 0.606 4.897 1.00 0.00 H new ATOM 426 N LEU A 26 11.415 0.302 5.007 1.00 0.00 N ATOM 427 CA LEU A 26 10.068 -0.014 5.505 1.00 0.00 C ATOM 428 C LEU A 26 8.966 0.448 4.567 1.00 0.00 C ATOM 429 O LEU A 26 9.178 1.327 3.748 1.00 0.00 O ATOM 430 CB LEU A 26 9.871 0.661 6.856 1.00 0.00 C ATOM 431 CG LEU A 26 9.914 -0.268 8.063 1.00 0.00 C ATOM 432 CD1 LEU A 26 10.174 0.527 9.334 1.00 0.00 C ATOM 433 CD2 LEU A 26 8.613 -1.044 8.179 1.00 0.00 C ATOM 0 H LEU A 26 11.474 1.128 4.411 1.00 0.00 H new ATOM 0 HA LEU A 26 9.999 -1.099 5.583 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.641 1.423 6.978 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.910 1.176 6.849 1.00 0.00 H new ATOM 0 HG LEU A 26 10.730 -0.978 7.926 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.202 -0.150 10.188 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.130 1.045 9.250 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.377 1.257 9.476 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.659 -1.703 9.046 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.783 -0.347 8.296 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.463 -1.639 7.278 1.00 0.00 H new ATOM 445 N TYR A 27 7.777 -0.149 4.675 1.00 0.00 N ATOM 446 CA TYR A 27 6.638 0.217 3.825 1.00 0.00 C ATOM 447 C TYR A 27 5.354 0.336 4.654 1.00 0.00 C ATOM 448 O TYR A 27 5.188 -0.347 5.665 1.00 0.00 O ATOM 449 CB TYR A 27 6.355 -0.871 2.784 1.00 0.00 C ATOM 450 CG TYR A 27 7.336 -0.974 1.651 1.00 0.00 C ATOM 451 CD1 TYR A 27 7.452 0.030 0.712 1.00 0.00 C ATOM 452 CD2 TYR A 27 8.112 -2.103 1.508 1.00 0.00 C ATOM 453 CE1 TYR A 27 8.330 -0.084 -0.344 1.00 0.00 C ATOM 454 CE2 TYR A 27 8.986 -2.244 0.456 1.00 0.00 C ATOM 455 CZ TYR A 27 9.095 -1.227 -0.472 1.00 0.00 C ATOM 456 OH TYR A 27 9.966 -1.353 -1.528 1.00 0.00 O ATOM 0 H TYR A 27 7.576 -0.891 5.345 1.00 0.00 H new ATOM 0 HA TYR A 27 6.902 1.163 3.352 1.00 0.00 H new ATOM 0 HB2 TYR A 27 6.319 -1.833 3.295 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.364 -0.695 2.365 1.00 0.00 H new ATOM 0 HD1 TYR A 27 6.846 0.919 0.806 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.032 -2.895 2.238 1.00 0.00 H new ATOM 0 HE1 TYR A 27 8.419 0.714 -1.066 1.00 0.00 H new ATOM 0 HE2 TYR A 27 9.581 -3.140 0.356 1.00 0.00 H new ATOM 0 HH TYR A 27 10.428 -2.215 -1.470 1.00 0.00 H new ATOM 466 N ARG A 28 4.451 1.188 4.193 1.00 0.00 N ATOM 467 CA ARG A 28 3.161 1.403 4.829 1.00 0.00 C ATOM 468 C ARG A 28 2.056 0.842 3.960 1.00 0.00 C ATOM 469 O ARG A 28 2.054 1.090 2.745 1.00 0.00 O ATOM 470 CB ARG A 28 2.889 2.896 5.024 1.00 0.00 C ATOM 471 CG ARG A 28 1.555 3.199 5.700 1.00 0.00 C ATOM 472 CD ARG A 28 1.421 4.679 6.023 1.00 0.00 C ATOM 473 NE ARG A 28 0.264 4.958 6.873 1.00 0.00 N ATOM 474 CZ ARG A 28 -0.639 5.906 6.618 1.00 0.00 C ATOM 475 NH1 ARG A 28 -0.532 6.676 5.541 1.00 0.00 N ATOM 476 NH2 ARG A 28 -1.658 6.086 7.448 1.00 0.00 N ATOM 0 H ARG A 28 4.595 1.755 3.358 1.00 0.00 H new ATOM 0 HA ARG A 28 3.184 0.902 5.797 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.693 3.327 5.620 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.913 3.389 4.052 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.737 2.892 5.049 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.469 2.616 6.617 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.327 5.023 6.522 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.333 5.245 5.095 1.00 0.00 H new ATOM 0 HE ARG A 28 0.140 4.393 7.713 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.248 6.546 4.897 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.230 7.397 5.358 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.749 5.500 8.278 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.350 6.810 7.256 1.00 0.00 H new ATOM 490 N ILE A 29 1.124 0.107 4.587 1.00 0.00 N ATOM 491 CA ILE A 29 -0.024 -0.482 3.881 1.00 0.00 C ATOM 492 C ILE A 29 -1.336 -0.082 4.561 1.00 0.00 C ATOM 493 O ILE A 29 -1.662 -0.587 5.636 1.00 0.00 O ATOM 494 CB ILE A 29 0.034 -2.021 3.818 1.00 0.00 C ATOM 495 CG1 ILE A 29 1.458 -2.502 3.505 1.00 0.00 C ATOM 496 CG2 ILE A 29 -0.967 -2.539 2.782 1.00 0.00 C ATOM 497 CD1 ILE A 29 1.797 -2.506 2.033 1.00 0.00 C ATOM 0 H ILE A 29 1.144 -0.094 5.587 1.00 0.00 H new ATOM 0 HA ILE A 29 0.021 -0.094 2.863 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.240 -2.424 4.793 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.169 -1.864 4.029 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.584 -3.510 3.899 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.920 -3.627 2.743 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.974 -2.229 3.062 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.721 -2.130 1.802 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.819 -2.858 1.896 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.111 -3.167 1.504 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.705 -1.495 1.636 1.00 0.00 H new ATOM 509 N ARG A 30 -2.103 0.799 3.919 1.00 0.00 N ATOM 510 CA ARG A 30 -3.376 1.249 4.468 1.00 0.00 C ATOM 511 C ARG A 30 -4.545 0.638 3.702 1.00 0.00 C ATOM 512 O ARG A 30 -4.494 0.513 2.483 1.00 0.00 O ATOM 513 CB ARG A 30 -3.456 2.786 4.454 1.00 0.00 C ATOM 514 CG ARG A 30 -3.899 3.384 3.126 1.00 0.00 C ATOM 515 CD ARG A 30 -4.031 4.899 3.206 1.00 0.00 C ATOM 516 NE ARG A 30 -5.114 5.313 4.097 1.00 0.00 N ATOM 517 CZ ARG A 30 -6.179 6.016 3.708 1.00 0.00 C ATOM 518 NH1 ARG A 30 -6.318 6.390 2.442 1.00 0.00 N ATOM 519 NH2 ARG A 30 -7.111 6.344 4.591 1.00 0.00 N ATOM 0 H ARG A 30 -1.863 1.213 3.019 1.00 0.00 H new ATOM 0 HA ARG A 30 -3.440 0.912 5.503 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.148 3.108 5.232 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.477 3.190 4.711 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.179 3.122 2.351 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.855 2.950 2.833 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.091 5.326 3.557 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -4.211 5.300 2.208 1.00 0.00 H new ATOM 0 HE ARG A 30 -5.051 5.047 5.080 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -5.606 6.140 1.755 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -7.136 6.927 2.156 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.013 6.059 5.565 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -7.926 6.881 4.296 1.00 0.00 H new ATOM 668 N ASP A 39 -4.427 0.912 9.538 1.00 0.00 N ATOM 669 CA ASP A 39 -3.265 0.638 8.698 1.00 0.00 C ATOM 670 C ASP A 39 -2.031 0.416 9.561 1.00 0.00 C ATOM 671 O ASP A 39 -1.955 0.931 10.676 1.00 0.00 O ATOM 672 CB ASP A 39 -3.023 1.811 7.742 1.00 0.00 C ATOM 673 CG ASP A 39 -2.870 3.131 8.474 1.00 0.00 C ATOM 674 OD1 ASP A 39 -3.901 3.714 8.871 1.00 0.00 O ATOM 675 OD2 ASP A 39 -1.718 3.582 8.651 1.00 0.00 O ATOM 0 HA ASP A 39 -3.458 -0.265 8.118 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.125 1.618 7.154 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.854 1.882 7.040 1.00 0.00 H new ATOM 680 N THR A 40 -1.051 -0.329 9.049 1.00 0.00 N ATOM 681 CA THR A 40 0.173 -0.582 9.793 1.00 0.00 C ATOM 682 C THR A 40 1.368 -0.649 8.846 1.00 0.00 C ATOM 683 O THR A 40 1.219 -0.553 7.622 1.00 0.00 O ATOM 684 CB THR A 40 0.073 -1.880 10.600 1.00 0.00 C ATOM 685 OG1 THR A 40 1.360 -2.388 10.909 1.00 0.00 O ATOM 686 CG2 THR A 40 -0.689 -2.974 9.889 1.00 0.00 C ATOM 0 H THR A 40 -1.085 -0.764 8.127 1.00 0.00 H new ATOM 0 HA THR A 40 0.316 0.244 10.490 1.00 0.00 H new ATOM 0 HB THR A 40 -0.471 -1.607 11.504 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.702 -1.945 11.713 1.00 0.00 H new ATOM 0 HG21 THR A 40 -0.720 -3.864 10.518 1.00 0.00 H new ATOM 0 HG22 THR A 40 -1.706 -2.637 9.686 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.191 -3.212 8.949 1.00 0.00 H new ATOM 694 N TRP A 41 2.555 -0.780 9.424 1.00 0.00 N ATOM 695 CA TRP A 41 3.782 -0.829 8.654 1.00 0.00 C ATOM 696 C TRP A 41 4.407 -2.221 8.685 1.00 0.00 C ATOM 697 O TRP A 41 4.361 -2.931 9.691 1.00 0.00 O ATOM 698 CB TRP A 41 4.764 0.227 9.180 1.00 0.00 C ATOM 699 CG TRP A 41 4.171 1.604 9.154 1.00 0.00 C ATOM 700 CD1 TRP A 41 3.137 2.059 9.916 1.00 0.00 C ATOM 701 CD2 TRP A 41 4.552 2.692 8.305 1.00 0.00 C ATOM 702 NE1 TRP A 41 2.841 3.358 9.585 1.00 0.00 N ATOM 703 CE2 TRP A 41 3.701 3.771 8.602 1.00 0.00 C ATOM 704 CE3 TRP A 41 5.525 2.856 7.322 1.00 0.00 C ATOM 705 CZ2 TRP A 41 3.798 4.998 7.947 1.00 0.00 C ATOM 706 CZ3 TRP A 41 5.621 4.073 6.673 1.00 0.00 C ATOM 707 CH2 TRP A 41 4.760 5.129 6.988 1.00 0.00 C ATOM 0 H TRP A 41 2.690 -0.854 10.432 1.00 0.00 H new ATOM 0 HA TRP A 41 3.546 -0.607 7.613 1.00 0.00 H new ATOM 0 HB2 TRP A 41 5.055 -0.024 10.200 1.00 0.00 H new ATOM 0 HB3 TRP A 41 5.672 0.211 8.577 1.00 0.00 H new ATOM 0 HD1 TRP A 41 2.625 1.481 10.671 1.00 0.00 H new ATOM 0 HE1 TRP A 41 2.102 3.923 10.003 1.00 0.00 H new ATOM 0 HE3 TRP A 41 6.194 2.046 7.071 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 3.135 5.816 8.190 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 6.373 4.210 5.910 1.00 0.00 H new ATOM 0 HH2 TRP A 41 4.858 6.067 6.462 1.00 0.00 H new ATOM 718 N GLU A 42 5.005 -2.577 7.562 1.00 0.00 N ATOM 719 CA GLU A 42 5.672 -3.844 7.375 1.00 0.00 C ATOM 720 C GLU A 42 6.966 -3.635 6.604 1.00 0.00 C ATOM 721 O GLU A 42 7.136 -2.614 5.954 1.00 0.00 O ATOM 722 CB GLU A 42 4.787 -4.785 6.574 1.00 0.00 C ATOM 723 CG GLU A 42 3.357 -4.887 7.072 1.00 0.00 C ATOM 724 CD GLU A 42 2.997 -6.292 7.511 1.00 0.00 C ATOM 725 OE1 GLU A 42 3.091 -7.214 6.675 1.00 0.00 O ATOM 726 OE2 GLU A 42 2.625 -6.470 8.690 1.00 0.00 O ATOM 0 H GLU A 42 5.039 -1.976 6.738 1.00 0.00 H new ATOM 0 HA GLU A 42 5.881 -4.273 8.355 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.773 -4.453 5.536 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.233 -5.779 6.585 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.216 -4.201 7.907 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.676 -4.571 6.282 1.00 0.00 H new ATOM 733 N PRO A 43 7.879 -4.612 6.619 1.00 0.00 N ATOM 734 CA PRO A 43 9.119 -4.513 5.867 1.00 0.00 C ATOM 735 C PRO A 43 8.881 -4.770 4.378 1.00 0.00 C ATOM 736 O PRO A 43 7.801 -5.208 3.985 1.00 0.00 O ATOM 737 CB PRO A 43 10.021 -5.595 6.465 1.00 0.00 C ATOM 738 CG PRO A 43 9.170 -6.408 7.398 1.00 0.00 C ATOM 739 CD PRO A 43 7.754 -5.890 7.321 1.00 0.00 C ATOM 0 HA PRO A 43 9.561 -3.519 5.936 1.00 0.00 H new ATOM 0 HB2 PRO A 43 10.442 -6.223 5.680 1.00 0.00 H new ATOM 0 HB3 PRO A 43 10.859 -5.147 6.999 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.204 -7.462 7.122 1.00 0.00 H new ATOM 0 HG3 PRO A 43 9.547 -6.333 8.418 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.106 -6.580 6.780 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.323 -5.759 8.314 1.00 0.00 H new ATOM 747 N PRO A 44 9.902 -4.563 3.533 1.00 0.00 N ATOM 748 CA PRO A 44 9.801 -4.797 2.089 1.00 0.00 C ATOM 749 C PRO A 44 9.956 -6.259 1.742 1.00 0.00 C ATOM 750 O PRO A 44 9.246 -6.806 0.899 1.00 0.00 O ATOM 751 CB PRO A 44 10.973 -3.992 1.559 1.00 0.00 C ATOM 752 CG PRO A 44 11.998 -4.119 2.588 1.00 0.00 C ATOM 753 CD PRO A 44 11.265 -4.134 3.912 1.00 0.00 C ATOM 0 HA PRO A 44 8.834 -4.513 1.673 1.00 0.00 H new ATOM 0 HB2 PRO A 44 11.321 -4.381 0.602 1.00 0.00 H new ATOM 0 HB3 PRO A 44 10.698 -2.949 1.399 1.00 0.00 H new ATOM 0 HG2 PRO A 44 12.575 -5.033 2.452 1.00 0.00 H new ATOM 0 HG3 PRO A 44 12.702 -3.288 2.542 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.724 -4.825 4.619 1.00 0.00 H new ATOM 0 HD3 PRO A 44 11.262 -3.151 4.383 1.00 0.00 H new ATOM 761 N GLU A 45 10.913 -6.868 2.396 1.00 0.00 N ATOM 762 CA GLU A 45 11.207 -8.282 2.194 1.00 0.00 C ATOM 763 C GLU A 45 9.973 -9.126 2.513 1.00 0.00 C ATOM 764 O GLU A 45 9.731 -10.157 1.885 1.00 0.00 O ATOM 765 CB GLU A 45 12.383 -8.712 3.073 1.00 0.00 C ATOM 766 CG GLU A 45 13.740 -8.360 2.483 1.00 0.00 C ATOM 767 CD GLU A 45 14.807 -9.381 2.824 1.00 0.00 C ATOM 768 OE1 GLU A 45 14.620 -10.132 3.805 1.00 0.00 O ATOM 769 OE2 GLU A 45 15.829 -9.432 2.108 1.00 0.00 O ATOM 0 H GLU A 45 11.513 -6.409 3.082 1.00 0.00 H new ATOM 0 HA GLU A 45 11.479 -8.437 1.150 1.00 0.00 H new ATOM 0 HB2 GLU A 45 12.287 -8.240 4.051 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.333 -9.789 3.232 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.651 -8.281 1.400 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.049 -7.381 2.850 1.00 0.00 H new ATOM 776 N ASN A 46 9.188 -8.664 3.484 1.00 0.00 N ATOM 777 CA ASN A 46 7.965 -9.350 3.887 1.00 0.00 C ATOM 778 C ASN A 46 7.000 -9.449 2.712 1.00 0.00 C ATOM 779 O ASN A 46 6.320 -10.459 2.524 1.00 0.00 O ATOM 780 CB ASN A 46 7.286 -8.576 5.020 1.00 0.00 C ATOM 781 CG ASN A 46 7.511 -9.186 6.386 1.00 0.00 C ATOM 782 OD1 ASN A 46 8.379 -10.038 6.569 1.00 0.00 O ATOM 783 ND2 ASN A 46 6.711 -8.747 7.353 1.00 0.00 N ATOM 0 H ASN A 46 9.380 -7.811 4.009 1.00 0.00 H new ATOM 0 HA ASN A 46 8.228 -10.352 4.225 1.00 0.00 H new ATOM 0 HB2 ASN A 46 7.657 -7.551 5.023 1.00 0.00 H new ATOM 0 HB3 ASN A 46 6.215 -8.527 4.825 1.00 0.00 H new ATOM 0 HD21 ASN A 46 6.802 -9.119 8.298 1.00 0.00 H new ATOM 0 HD22 ASN A 46 6.006 -8.038 7.149 1.00 0.00 H new ATOM 790 N LEU A 47 6.926 -8.365 1.952 1.00 0.00 N ATOM 791 CA LEU A 47 6.025 -8.281 0.805 1.00 0.00 C ATOM 792 C LEU A 47 6.415 -9.244 -0.315 1.00 0.00 C ATOM 793 O LEU A 47 5.714 -9.335 -1.322 1.00 0.00 O ATOM 794 CB LEU A 47 5.962 -6.855 0.248 1.00 0.00 C ATOM 795 CG LEU A 47 6.523 -5.746 1.144 1.00 0.00 C ATOM 796 CD1 LEU A 47 6.744 -4.492 0.333 1.00 0.00 C ATOM 797 CD2 LEU A 47 5.599 -5.452 2.311 1.00 0.00 C ATOM 0 H LEU A 47 7.482 -7.525 2.109 1.00 0.00 H new ATOM 0 HA LEU A 47 5.041 -8.569 1.174 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.502 -6.834 -0.699 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.921 -6.621 0.027 1.00 0.00 H new ATOM 0 HG LEU A 47 7.474 -6.091 1.549 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.143 -3.708 0.977 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.452 -4.698 -0.470 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.797 -4.163 -0.094 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.029 -4.661 2.925 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.628 -5.132 1.934 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.476 -6.352 2.913 1.00 0.00 H new ATOM 809 N SER A 48 7.546 -9.935 -0.178 1.00 0.00 N ATOM 810 CA SER A 48 7.993 -10.858 -1.219 1.00 0.00 C ATOM 811 C SER A 48 6.845 -11.740 -1.702 1.00 0.00 C ATOM 812 O SER A 48 6.552 -11.799 -2.895 1.00 0.00 O ATOM 813 CB SER A 48 9.134 -11.735 -0.697 1.00 0.00 C ATOM 814 OG SER A 48 8.799 -12.322 0.548 1.00 0.00 O ATOM 0 H SER A 48 8.162 -9.875 0.633 1.00 0.00 H new ATOM 0 HA SER A 48 8.350 -10.265 -2.061 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.357 -12.517 -1.423 1.00 0.00 H new ATOM 0 HB3 SER A 48 10.037 -11.135 -0.588 1.00 0.00 H new ATOM 0 HG SER A 48 9.016 -11.699 1.272 1.00 0.00 H new ATOM 820 N GLY A 49 6.206 -12.428 -0.763 1.00 0.00 N ATOM 821 CA GLY A 49 5.102 -13.301 -1.104 1.00 0.00 C ATOM 822 C GLY A 49 3.895 -12.551 -1.641 1.00 0.00 C ATOM 823 O GLY A 49 3.078 -13.125 -2.362 1.00 0.00 O ATOM 0 H GLY A 49 6.435 -12.396 0.231 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.435 -14.024 -1.849 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.807 -13.867 -0.220 1.00 0.00 H new ATOM 827 N CYS A 50 3.763 -11.276 -1.273 1.00 0.00 N ATOM 828 CA CYS A 50 2.626 -10.473 -1.721 1.00 0.00 C ATOM 829 C CYS A 50 2.431 -10.577 -3.230 1.00 0.00 C ATOM 830 O CYS A 50 1.440 -11.144 -3.689 1.00 0.00 O ATOM 831 CB CYS A 50 2.782 -9.013 -1.283 1.00 0.00 C ATOM 832 SG CYS A 50 1.479 -8.449 -0.163 1.00 0.00 S ATOM 0 H CYS A 50 4.422 -10.782 -0.672 1.00 0.00 H new ATOM 0 HA CYS A 50 1.730 -10.873 -1.247 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.748 -8.891 -0.793 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.790 -8.376 -2.168 1.00 0.00 H new ATOM 0 HG CYS A 50 1.798 -7.287 0.324 1.00 0.00 H new ATOM 838 N SER A 51 3.364 -10.033 -4.005 1.00 0.00 N ATOM 839 CA SER A 51 3.306 -10.068 -5.471 1.00 0.00 C ATOM 840 C SER A 51 2.373 -9.001 -6.047 1.00 0.00 C ATOM 841 O SER A 51 2.820 -8.096 -6.761 1.00 0.00 O ATOM 842 CB SER A 51 2.881 -11.457 -5.960 1.00 0.00 C ATOM 843 OG SER A 51 3.268 -11.665 -7.307 1.00 0.00 O ATOM 0 H SER A 51 4.186 -9.553 -3.638 1.00 0.00 H new ATOM 0 HA SER A 51 4.311 -9.849 -5.831 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.331 -12.222 -5.327 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.800 -11.563 -5.869 1.00 0.00 H new ATOM 0 HG SER A 51 2.987 -12.559 -7.594 1.00 0.00 H new ATOM 849 N ALA A 52 1.088 -9.087 -5.734 1.00 0.00 N ATOM 850 CA ALA A 52 0.131 -8.110 -6.233 1.00 0.00 C ATOM 851 C ALA A 52 0.427 -6.743 -5.640 1.00 0.00 C ATOM 852 O ALA A 52 0.530 -5.741 -6.355 1.00 0.00 O ATOM 853 CB ALA A 52 -1.288 -8.547 -5.906 1.00 0.00 C ATOM 0 H ALA A 52 0.687 -9.815 -5.143 1.00 0.00 H new ATOM 0 HA ALA A 52 0.224 -8.043 -7.317 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.993 -7.807 -6.285 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.488 -9.511 -6.373 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.401 -8.636 -4.826 1.00 0.00 H new ATOM 859 N VAL A 53 0.575 -6.719 -4.325 1.00 0.00 N ATOM 860 CA VAL A 53 0.871 -5.493 -3.608 1.00 0.00 C ATOM 861 C VAL A 53 2.105 -4.804 -4.176 1.00 0.00 C ATOM 862 O VAL A 53 2.078 -3.597 -4.495 1.00 0.00 O ATOM 863 CB VAL A 53 1.083 -5.774 -2.104 1.00 0.00 C ATOM 864 CG1 VAL A 53 1.739 -4.592 -1.403 1.00 0.00 C ATOM 865 CG2 VAL A 53 -0.237 -6.133 -1.440 1.00 0.00 C ATOM 0 H VAL A 53 0.494 -7.543 -3.730 1.00 0.00 H new ATOM 0 HA VAL A 53 0.014 -4.831 -3.731 1.00 0.00 H new ATOM 0 HB VAL A 53 1.759 -6.624 -2.014 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.873 -4.824 -0.347 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.710 -4.393 -1.857 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.104 -3.712 -1.503 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.070 -6.328 -0.381 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.937 -5.305 -1.551 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.651 -7.024 -1.912 1.00 0.00 H new ATOM 875 N LEU A 54 3.191 -5.559 -4.329 1.00 0.00 N ATOM 876 CA LEU A 54 4.403 -4.999 -4.879 1.00 0.00 C ATOM 877 C LEU A 54 4.116 -4.444 -6.245 1.00 0.00 C ATOM 878 O LEU A 54 4.656 -3.427 -6.622 1.00 0.00 O ATOM 879 CB LEU A 54 5.507 -6.059 -4.987 1.00 0.00 C ATOM 880 CG LEU A 54 6.017 -6.620 -3.662 1.00 0.00 C ATOM 881 CD1 LEU A 54 7.238 -7.500 -3.888 1.00 0.00 C ATOM 882 CD2 LEU A 54 6.343 -5.488 -2.702 1.00 0.00 C ATOM 0 H LEU A 54 3.248 -6.547 -4.081 1.00 0.00 H new ATOM 0 HA LEU A 54 4.749 -4.209 -4.212 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.134 -6.886 -5.591 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.350 -5.626 -5.526 1.00 0.00 H new ATOM 0 HG LEU A 54 5.232 -7.234 -3.220 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.587 -7.891 -2.932 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.972 -8.329 -4.544 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.030 -6.911 -4.350 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.706 -5.902 -1.761 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.112 -4.851 -3.139 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.445 -4.898 -2.517 1.00 0.00 H new ATOM 894 N ALA A 55 3.264 -5.132 -6.985 1.00 0.00 N ATOM 895 CA ALA A 55 2.918 -4.696 -8.320 1.00 0.00 C ATOM 896 C ALA A 55 2.292 -3.299 -8.334 1.00 0.00 C ATOM 897 O ALA A 55 2.742 -2.430 -9.098 1.00 0.00 O ATOM 898 CB ALA A 55 1.988 -5.703 -8.980 1.00 0.00 C ATOM 0 H ALA A 55 2.803 -5.990 -6.683 1.00 0.00 H new ATOM 0 HA ALA A 55 3.845 -4.636 -8.890 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.736 -5.362 -9.984 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.484 -6.672 -9.040 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.077 -5.798 -8.390 1.00 0.00 H new ATOM 904 N GLU A 56 1.265 -3.039 -7.504 1.00 0.00 N ATOM 905 CA GLU A 56 0.670 -1.723 -7.535 1.00 0.00 C ATOM 906 C GLU A 56 1.730 -0.698 -7.193 1.00 0.00 C ATOM 907 O GLU A 56 1.796 0.372 -7.801 1.00 0.00 O ATOM 908 CB GLU A 56 -0.520 -1.617 -6.579 1.00 0.00 C ATOM 909 CG GLU A 56 -0.238 -0.790 -5.345 1.00 0.00 C ATOM 910 CD GLU A 56 -1.501 -0.198 -4.740 1.00 0.00 C ATOM 911 OE1 GLU A 56 -2.604 -0.652 -5.106 1.00 0.00 O ATOM 912 OE2 GLU A 56 -1.384 0.725 -3.908 1.00 0.00 O ATOM 0 H GLU A 56 0.857 -3.697 -6.840 1.00 0.00 H new ATOM 0 HA GLU A 56 0.286 -1.534 -8.537 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.365 -1.181 -7.112 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.819 -2.620 -6.273 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.261 -1.411 -4.601 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.451 0.015 -5.601 1.00 0.00 H new ATOM 919 N TRP A 57 2.570 -1.024 -6.214 1.00 0.00 N ATOM 920 CA TRP A 57 3.599 -0.089 -5.816 1.00 0.00 C ATOM 921 C TRP A 57 4.561 0.207 -6.959 1.00 0.00 C ATOM 922 O TRP A 57 4.659 1.354 -7.372 1.00 0.00 O ATOM 923 CB TRP A 57 4.335 -0.567 -4.574 1.00 0.00 C ATOM 924 CG TRP A 57 4.842 0.580 -3.765 1.00 0.00 C ATOM 925 CD1 TRP A 57 6.076 0.707 -3.232 1.00 0.00 C ATOM 926 CD2 TRP A 57 4.129 1.787 -3.436 1.00 0.00 C ATOM 927 NE1 TRP A 57 6.185 1.901 -2.586 1.00 0.00 N ATOM 928 CE2 TRP A 57 5.004 2.589 -2.703 1.00 0.00 C ATOM 929 CE3 TRP A 57 2.837 2.261 -3.695 1.00 0.00 C ATOM 930 CZ2 TRP A 57 4.639 3.847 -2.225 1.00 0.00 C ATOM 931 CZ3 TRP A 57 2.477 3.503 -3.221 1.00 0.00 C ATOM 932 CH2 TRP A 57 3.376 4.285 -2.497 1.00 0.00 C ATOM 0 H TRP A 57 2.555 -1.904 -5.699 1.00 0.00 H new ATOM 0 HA TRP A 57 3.105 0.848 -5.560 1.00 0.00 H new ATOM 0 HB2 TRP A 57 3.667 -1.176 -3.965 1.00 0.00 H new ATOM 0 HB3 TRP A 57 5.169 -1.204 -4.867 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.862 -0.030 -3.307 1.00 0.00 H new ATOM 0 HE1 TRP A 57 7.014 2.232 -2.093 1.00 0.00 H new ATOM 0 HE3 TRP A 57 2.135 1.663 -4.257 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 5.331 4.453 -1.660 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 1.482 3.877 -3.413 1.00 0.00 H new ATOM 0 HH2 TRP A 57 3.066 5.258 -2.144 1.00 0.00 H new ATOM 943 N LYS A 58 5.274 -0.793 -7.489 1.00 0.00 N ATOM 944 CA LYS A 58 6.201 -0.543 -8.589 1.00 0.00 C ATOM 945 C LYS A 58 5.539 0.321 -9.645 1.00 0.00 C ATOM 946 O LYS A 58 6.191 1.140 -10.286 1.00 0.00 O ATOM 947 CB LYS A 58 6.716 -1.842 -9.229 1.00 0.00 C ATOM 948 CG LYS A 58 5.924 -3.064 -8.861 1.00 0.00 C ATOM 949 CD LYS A 58 5.992 -4.129 -9.944 1.00 0.00 C ATOM 950 CE LYS A 58 4.915 -3.930 -10.999 1.00 0.00 C ATOM 951 NZ LYS A 58 5.372 -3.041 -12.102 1.00 0.00 N ATOM 0 H LYS A 58 5.227 -1.764 -7.179 1.00 0.00 H new ATOM 0 HA LYS A 58 7.061 -0.021 -8.169 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.706 -1.729 -10.313 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.754 -1.993 -8.934 1.00 0.00 H new ATOM 0 HG2 LYS A 58 6.302 -3.474 -7.924 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.884 -2.785 -8.690 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.974 -4.104 -10.417 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.881 -5.115 -9.492 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.626 -4.898 -11.409 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.026 -3.503 -10.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.843 -3.264 -12.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.205 -2.049 -11.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.388 -3.188 -12.268 1.00 0.00 H new ATOM 965 N ARG A 59 4.226 0.156 -9.794 1.00 0.00 N ATOM 966 CA ARG A 59 3.468 0.945 -10.750 1.00 0.00 C ATOM 967 C ARG A 59 3.317 2.397 -10.273 1.00 0.00 C ATOM 968 O ARG A 59 3.258 3.323 -11.081 1.00 0.00 O ATOM 969 CB ARG A 59 2.091 0.315 -10.961 1.00 0.00 C ATOM 970 CG ARG A 59 2.151 -1.026 -11.669 1.00 0.00 C ATOM 971 CD ARG A 59 0.761 -1.562 -11.977 1.00 0.00 C ATOM 972 NE ARG A 59 0.692 -3.017 -11.837 1.00 0.00 N ATOM 973 CZ ARG A 59 -0.184 -3.653 -11.060 1.00 0.00 C ATOM 974 NH1 ARG A 59 -1.098 -2.976 -10.373 1.00 0.00 N ATOM 975 NH2 ARG A 59 -0.155 -4.977 -10.976 1.00 0.00 N ATOM 0 H ARG A 59 3.671 -0.516 -9.265 1.00 0.00 H new ATOM 0 HA ARG A 59 4.011 0.956 -11.695 1.00 0.00 H new ATOM 0 HB2 ARG A 59 1.605 0.187 -9.994 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.471 0.998 -11.542 1.00 0.00 H new ATOM 0 HG2 ARG A 59 2.715 -0.923 -12.596 1.00 0.00 H new ATOM 0 HG3 ARG A 59 2.688 -1.742 -11.047 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.037 -1.098 -11.307 1.00 0.00 H new ATOM 0 HD3 ARG A 59 0.481 -1.282 -12.992 1.00 0.00 H new ATOM 0 HE ARG A 59 1.357 -3.580 -12.368 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.134 -1.959 -10.437 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -1.763 -3.474 -9.781 1.00 0.00 H new ATOM 0 HH21 ARG A 59 0.537 -5.507 -11.506 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -0.825 -5.465 -10.382 1.00 0.00 H new ATOM 989 N ARG A 60 3.239 2.582 -8.955 1.00 0.00 N ATOM 990 CA ARG A 60 3.066 3.913 -8.356 1.00 0.00 C ATOM 991 C ARG A 60 4.385 4.548 -7.890 1.00 0.00 C ATOM 992 O ARG A 60 4.488 5.771 -7.788 1.00 0.00 O ATOM 993 CB ARG A 60 2.086 3.820 -7.187 1.00 0.00 C ATOM 994 CG ARG A 60 0.649 4.112 -7.592 1.00 0.00 C ATOM 995 CD ARG A 60 -0.214 4.482 -6.398 1.00 0.00 C ATOM 996 NE ARG A 60 -1.395 3.630 -6.299 1.00 0.00 N ATOM 997 CZ ARG A 60 -2.511 3.824 -6.998 1.00 0.00 C ATOM 998 NH1 ARG A 60 -2.609 4.845 -7.840 1.00 0.00 N ATOM 999 NH2 ARG A 60 -3.533 2.990 -6.856 1.00 0.00 N ATOM 0 H ARG A 60 3.293 1.824 -8.275 1.00 0.00 H new ATOM 0 HA ARG A 60 2.671 4.565 -9.135 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.140 2.821 -6.753 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.388 4.522 -6.410 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.635 4.927 -8.316 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.227 3.238 -8.087 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.374 4.396 -5.484 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.523 5.524 -6.482 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.363 2.839 -5.656 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -1.826 5.488 -7.955 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -3.468 4.987 -8.372 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.463 2.202 -6.212 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -4.389 3.137 -7.391 1.00 0.00 H new