USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 590 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 19 MET CE :methyl -166:sc= -1.78 (180deg=-2.2) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0098 USER MOD Single : A 22 SER OG : rot -20:sc= 0.0453 USER MOD Single : A 26 LYS NZ :NH3+ 155:sc= -0.0225 (180deg=-0.472) USER MOD Single : A 36 GLN : amide:sc= -0.0913 K(o=-0.091,f=-1.8!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 33:sc= -0.43 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -95:sc= 1.3 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.309 X(o=-0.31,f=-0.45) USER MOD Single : A 65 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0175) USER MOD Single : A 66 ASN : amide:sc= -4.6! C(o=-4.6!,f=-5.7!) USER MOD Single : A 67 ASN : amide:sc= 0.00207 K(o=0.0021,f=-1.6) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -2.19 K(o=-2.2,f=-3.8!) USER MOD Single : A 75 TYR OH : rot 78:sc= 0.0719 USER MOD Single : A 77 LYS NZ :NH3+ 154:sc= -0.0258 (180deg=-0.51) USER MOD Single : A 78 CYS SG : rot -134:sc= 0.586 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 165:sc= -1.64 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.174) USER MOD ----------------------------------------------------------------- ATOM 228 N MET A 19 12.867 -7.371 5.286 1.00 0.00 N ATOM 229 CA MET A 19 13.043 -6.610 4.054 1.00 0.00 C ATOM 230 C MET A 19 13.027 -5.111 4.333 1.00 0.00 C ATOM 231 O MET A 19 13.696 -4.335 3.652 1.00 0.00 O ATOM 232 CB MET A 19 11.946 -6.966 3.050 1.00 0.00 C ATOM 233 CG MET A 19 11.861 -8.453 2.741 1.00 0.00 C ATOM 234 SD MET A 19 11.411 -8.780 1.026 1.00 0.00 S ATOM 235 CE MET A 19 9.976 -7.724 0.845 1.00 0.00 C ATOM 0 HA MET A 19 14.013 -6.871 3.630 1.00 0.00 H new ATOM 0 HB2 MET A 19 10.985 -6.629 3.440 1.00 0.00 H new ATOM 0 HB3 MET A 19 12.123 -6.421 2.123 1.00 0.00 H new ATOM 0 HG2 MET A 19 12.822 -8.921 2.956 1.00 0.00 H new ATOM 0 HG3 MET A 19 11.127 -8.916 3.400 1.00 0.00 H new ATOM 0 HE1 MET A 19 9.438 -7.993 -0.064 1.00 0.00 H new ATOM 0 HE2 MET A 19 9.320 -7.851 1.706 1.00 0.00 H new ATOM 0 HE3 MET A 19 10.295 -6.684 0.783 1.00 0.00 H new ATOM 245 N LEU A 20 12.257 -4.710 5.340 1.00 0.00 N ATOM 246 CA LEU A 20 12.154 -3.302 5.709 1.00 0.00 C ATOM 247 C LEU A 20 13.448 -2.812 6.347 1.00 0.00 C ATOM 248 O LEU A 20 13.867 -1.674 6.130 1.00 0.00 O ATOM 249 CB LEU A 20 10.984 -3.092 6.671 1.00 0.00 C ATOM 250 CG LEU A 20 9.598 -3.334 6.069 1.00 0.00 C ATOM 251 CD1 LEU A 20 8.565 -3.522 7.169 1.00 0.00 C ATOM 252 CD2 LEU A 20 9.205 -2.182 5.157 1.00 0.00 C ATOM 0 H LEU A 20 11.696 -5.339 5.914 1.00 0.00 H new ATOM 0 HA LEU A 20 11.977 -2.724 4.802 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.113 -3.756 7.526 1.00 0.00 H new ATOM 0 HB3 LEU A 20 11.025 -2.071 7.051 1.00 0.00 H new ATOM 0 HG LEU A 20 9.635 -4.246 5.473 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.585 -3.693 6.723 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.839 -4.380 7.783 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.529 -2.628 7.791 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.217 -2.371 4.738 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.185 -1.255 5.730 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.931 -2.094 4.349 1.00 0.00 H new ATOM 264 N THR A 21 14.078 -3.676 7.137 1.00 0.00 N ATOM 265 CA THR A 21 15.326 -3.330 7.808 1.00 0.00 C ATOM 266 C THR A 21 16.499 -3.378 6.834 1.00 0.00 C ATOM 267 O THR A 21 17.456 -2.614 6.960 1.00 0.00 O ATOM 268 CB THR A 21 15.581 -4.280 8.978 1.00 0.00 C ATOM 269 OG1 THR A 21 14.359 -4.769 9.502 1.00 0.00 O ATOM 270 CG2 THR A 21 16.343 -3.637 10.116 1.00 0.00 C ATOM 0 H THR A 21 13.745 -4.621 7.328 1.00 0.00 H new ATOM 0 HA THR A 21 15.234 -2.313 8.189 1.00 0.00 H new ATOM 0 HB THR A 21 16.187 -5.088 8.567 1.00 0.00 H new ATOM 0 HG1 THR A 21 14.543 -5.377 10.249 1.00 0.00 H new ATOM 0 HG21 THR A 21 16.490 -4.366 10.913 1.00 0.00 H new ATOM 0 HG22 THR A 21 17.312 -3.293 9.756 1.00 0.00 H new ATOM 0 HG23 THR A 21 15.776 -2.789 10.500 1.00 0.00 H new ATOM 278 N SER A 22 16.418 -4.281 5.863 1.00 0.00 N ATOM 279 CA SER A 22 17.473 -4.429 4.867 1.00 0.00 C ATOM 280 C SER A 22 17.509 -3.227 3.930 1.00 0.00 C ATOM 281 O SER A 22 18.581 -2.737 3.573 1.00 0.00 O ATOM 282 CB SER A 22 17.266 -5.713 4.062 1.00 0.00 C ATOM 283 OG SER A 22 16.024 -5.692 3.378 1.00 0.00 O ATOM 0 H SER A 22 15.633 -4.921 5.744 1.00 0.00 H new ATOM 0 HA SER A 22 18.427 -4.487 5.390 1.00 0.00 H new ATOM 0 HB2 SER A 22 18.078 -5.831 3.344 1.00 0.00 H new ATOM 0 HB3 SER A 22 17.303 -6.574 4.729 1.00 0.00 H new ATOM 0 HG SER A 22 15.432 -5.032 3.795 1.00 0.00 H new ATOM 289 N LEU A 23 16.331 -2.756 3.533 1.00 0.00 N ATOM 290 CA LEU A 23 16.228 -1.611 2.637 1.00 0.00 C ATOM 291 C LEU A 23 16.245 -0.303 3.420 1.00 0.00 C ATOM 292 O LEU A 23 16.764 0.708 2.949 1.00 0.00 O ATOM 293 CB LEU A 23 14.948 -1.703 1.804 1.00 0.00 C ATOM 294 CG LEU A 23 14.987 -2.727 0.667 1.00 0.00 C ATOM 295 CD1 LEU A 23 13.618 -3.356 0.467 1.00 0.00 C ATOM 296 CD2 LEU A 23 15.470 -2.074 -0.620 1.00 0.00 C ATOM 0 H LEU A 23 15.434 -3.150 3.818 1.00 0.00 H new ATOM 0 HA LEU A 23 17.090 -1.625 1.970 1.00 0.00 H new ATOM 0 HB2 LEU A 23 14.118 -1.950 2.467 1.00 0.00 H new ATOM 0 HB3 LEU A 23 14.737 -0.721 1.381 1.00 0.00 H new ATOM 0 HG LEU A 23 15.689 -3.516 0.937 1.00 0.00 H new ATOM 0 HD11 LEU A 23 13.666 -4.081 -0.345 1.00 0.00 H new ATOM 0 HD12 LEU A 23 13.311 -3.858 1.384 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.894 -2.580 0.219 1.00 0.00 H new ATOM 0 HD21 LEU A 23 15.492 -2.816 -1.418 1.00 0.00 H new ATOM 0 HD22 LEU A 23 14.792 -1.266 -0.894 1.00 0.00 H new ATOM 0 HD23 LEU A 23 16.472 -1.672 -0.470 1.00 0.00 H new ATOM 308 N GLY A 24 15.673 -0.331 4.621 1.00 0.00 N ATOM 309 CA GLY A 24 15.634 0.858 5.451 1.00 0.00 C ATOM 310 C GLY A 24 14.274 1.528 5.443 1.00 0.00 C ATOM 311 O GLY A 24 14.170 2.741 5.621 1.00 0.00 O ATOM 0 H GLY A 24 15.237 -1.156 5.033 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.898 0.591 6.474 1.00 0.00 H new ATOM 0 HA3 GLY A 24 16.386 1.566 5.102 1.00 0.00 H new ATOM 315 N LEU A 25 13.228 0.735 5.235 1.00 0.00 N ATOM 316 CA LEU A 25 11.866 1.257 5.205 1.00 0.00 C ATOM 317 C LEU A 25 11.150 0.985 6.523 1.00 0.00 C ATOM 318 O LEU A 25 11.578 0.143 7.312 1.00 0.00 O ATOM 319 CB LEU A 25 11.084 0.634 4.047 1.00 0.00 C ATOM 320 CG LEU A 25 11.716 0.816 2.666 1.00 0.00 C ATOM 321 CD1 LEU A 25 11.255 -0.281 1.719 1.00 0.00 C ATOM 322 CD2 LEU A 25 11.374 2.188 2.102 1.00 0.00 C ATOM 0 H LEU A 25 13.297 -0.271 5.085 1.00 0.00 H new ATOM 0 HA LEU A 25 11.920 2.336 5.058 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.969 -0.433 4.239 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.083 1.065 4.031 1.00 0.00 H new ATOM 0 HG LEU A 25 12.799 0.746 2.770 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.715 -0.135 0.742 1.00 0.00 H new ATOM 0 HD12 LEU A 25 11.549 -1.252 2.117 1.00 0.00 H new ATOM 0 HD13 LEU A 25 10.170 -0.243 1.619 1.00 0.00 H new ATOM 0 HD21 LEU A 25 11.831 2.302 1.119 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.292 2.285 2.012 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.754 2.961 2.770 1.00 0.00 H new ATOM 334 N LYS A 26 10.057 1.705 6.755 1.00 0.00 N ATOM 335 CA LYS A 26 9.279 1.541 7.977 1.00 0.00 C ATOM 336 C LYS A 26 7.947 2.279 7.877 1.00 0.00 C ATOM 337 O LYS A 26 7.833 3.281 7.169 1.00 0.00 O ATOM 338 CB LYS A 26 10.072 2.054 9.182 1.00 0.00 C ATOM 339 CG LYS A 26 10.781 0.953 9.955 1.00 0.00 C ATOM 340 CD LYS A 26 12.244 1.290 10.195 1.00 0.00 C ATOM 341 CE LYS A 26 12.711 0.809 11.559 1.00 0.00 C ATOM 342 NZ LYS A 26 12.282 -0.591 11.831 1.00 0.00 N ATOM 0 H LYS A 26 9.690 2.407 6.113 1.00 0.00 H new ATOM 0 HA LYS A 26 9.075 0.479 8.110 1.00 0.00 H new ATOM 0 HB2 LYS A 26 10.810 2.779 8.839 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.395 2.581 9.854 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.281 0.799 10.911 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.709 0.016 9.403 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.856 0.832 9.418 1.00 0.00 H new ATOM 0 HD3 LYS A 26 12.387 2.368 10.120 1.00 0.00 H new ATOM 0 HE2 LYS A 26 13.798 0.873 11.614 1.00 0.00 H new ATOM 0 HE3 LYS A 26 12.314 1.467 12.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 12.930 -1.025 12.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.317 -0.589 12.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 12.299 -1.137 10.946 1.00 0.00 H new ATOM 356 N LEU A 27 6.942 1.777 8.587 1.00 0.00 N ATOM 357 CA LEU A 27 5.618 2.388 8.576 1.00 0.00 C ATOM 358 C LEU A 27 5.678 3.823 9.087 1.00 0.00 C ATOM 359 O LEU A 27 5.868 4.062 10.281 1.00 0.00 O ATOM 360 CB LEU A 27 4.649 1.569 9.431 1.00 0.00 C ATOM 361 CG LEU A 27 4.319 0.179 8.884 1.00 0.00 C ATOM 362 CD1 LEU A 27 3.827 -0.730 9.999 1.00 0.00 C ATOM 363 CD2 LEU A 27 3.281 0.277 7.776 1.00 0.00 C ATOM 0 H LEU A 27 7.019 0.949 9.177 1.00 0.00 H new ATOM 0 HA LEU A 27 5.260 2.403 7.547 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.073 1.459 10.429 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.721 2.130 9.539 1.00 0.00 H new ATOM 0 HG LEU A 27 5.229 -0.253 8.467 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.597 -1.714 9.591 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.602 -0.824 10.760 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.929 -0.304 10.446 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.057 -0.720 7.398 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.370 0.728 8.170 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.671 0.893 6.966 1.00 0.00 H new ATOM 375 N GLY A 28 5.516 4.778 8.177 1.00 0.00 N ATOM 376 CA GLY A 28 5.554 6.179 8.555 1.00 0.00 C ATOM 377 C GLY A 28 6.426 7.006 7.631 1.00 0.00 C ATOM 378 O GLY A 28 6.137 8.175 7.374 1.00 0.00 O ATOM 0 H GLY A 28 5.359 4.607 7.184 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.541 6.581 8.550 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.926 6.267 9.576 1.00 0.00 H new ATOM 382 N ASP A 29 7.497 6.397 7.131 1.00 0.00 N ATOM 383 CA ASP A 29 8.415 7.085 6.231 1.00 0.00 C ATOM 384 C ASP A 29 7.797 7.249 4.845 1.00 0.00 C ATOM 385 O ASP A 29 6.737 6.696 4.558 1.00 0.00 O ATOM 386 CB ASP A 29 9.732 6.314 6.126 1.00 0.00 C ATOM 387 CG ASP A 29 10.466 6.242 7.451 1.00 0.00 C ATOM 388 OD1 ASP A 29 10.916 7.300 7.939 1.00 0.00 O ATOM 389 OD2 ASP A 29 10.591 5.128 8.000 1.00 0.00 O ATOM 0 H ASP A 29 7.750 5.430 7.334 1.00 0.00 H new ATOM 0 HA ASP A 29 8.613 8.075 6.641 1.00 0.00 H new ATOM 0 HB2 ASP A 29 9.531 5.304 5.769 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.372 6.792 5.385 1.00 0.00 H new ATOM 394 N ARG A 30 8.470 8.014 3.991 1.00 0.00 N ATOM 395 CA ARG A 30 7.988 8.252 2.635 1.00 0.00 C ATOM 396 C ARG A 30 8.508 7.185 1.678 1.00 0.00 C ATOM 397 O ARG A 30 9.714 6.960 1.579 1.00 0.00 O ATOM 398 CB ARG A 30 8.418 9.639 2.154 1.00 0.00 C ATOM 399 CG ARG A 30 7.401 10.728 2.454 1.00 0.00 C ATOM 400 CD ARG A 30 6.472 10.964 1.274 1.00 0.00 C ATOM 401 NE ARG A 30 5.255 11.668 1.667 1.00 0.00 N ATOM 402 CZ ARG A 30 5.191 12.981 1.872 1.00 0.00 C ATOM 403 NH1 ARG A 30 6.272 13.737 1.722 1.00 0.00 N ATOM 404 NH2 ARG A 30 4.043 13.542 2.227 1.00 0.00 N ATOM 0 H ARG A 30 9.350 8.479 4.214 1.00 0.00 H new ATOM 0 HA ARG A 30 6.899 8.202 2.649 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.366 9.900 2.624 1.00 0.00 H new ATOM 0 HB3 ARG A 30 8.594 9.603 1.079 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.815 10.449 3.329 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.920 11.654 2.700 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.994 11.542 0.511 1.00 0.00 H new ATOM 0 HD3 ARG A 30 6.208 10.007 0.824 1.00 0.00 H new ATOM 0 HE ARG A 30 4.403 11.121 1.792 1.00 0.00 H new ATOM 0 HH11 ARG A 30 7.158 13.312 1.448 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.217 14.743 1.881 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.209 12.967 2.343 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.994 14.549 2.384 1.00 0.00 H new ATOM 418 N VAL A 31 7.589 6.530 0.974 1.00 0.00 N ATOM 419 CA VAL A 31 7.956 5.487 0.024 1.00 0.00 C ATOM 420 C VAL A 31 7.596 5.892 -1.402 1.00 0.00 C ATOM 421 O VAL A 31 6.761 6.771 -1.617 1.00 0.00 O ATOM 422 CB VAL A 31 7.259 4.154 0.356 1.00 0.00 C ATOM 423 CG1 VAL A 31 7.831 3.556 1.631 1.00 0.00 C ATOM 424 CG2 VAL A 31 5.755 4.354 0.481 1.00 0.00 C ATOM 0 H VAL A 31 6.586 6.703 1.044 1.00 0.00 H new ATOM 0 HA VAL A 31 9.035 5.354 0.102 1.00 0.00 H new ATOM 0 HB VAL A 31 7.443 3.456 -0.460 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.326 2.615 1.850 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.898 3.374 1.501 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.679 4.250 2.458 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.280 3.402 0.716 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.548 5.069 1.277 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.359 4.735 -0.460 1.00 0.00 H new ATOM 434 N VAL A 32 8.233 5.246 -2.374 1.00 0.00 N ATOM 435 CA VAL A 32 7.980 5.538 -3.779 1.00 0.00 C ATOM 436 C VAL A 32 7.665 4.265 -4.557 1.00 0.00 C ATOM 437 O VAL A 32 8.450 3.317 -4.560 1.00 0.00 O ATOM 438 CB VAL A 32 9.185 6.246 -4.430 1.00 0.00 C ATOM 439 CG1 VAL A 32 10.419 5.358 -4.383 1.00 0.00 C ATOM 440 CG2 VAL A 32 8.861 6.648 -5.863 1.00 0.00 C ATOM 0 H VAL A 32 8.928 4.517 -2.213 1.00 0.00 H new ATOM 0 HA VAL A 32 7.117 6.202 -3.816 1.00 0.00 H new ATOM 0 HB VAL A 32 9.398 7.152 -3.863 1.00 0.00 H new ATOM 0 HG11 VAL A 32 11.258 5.876 -4.847 1.00 0.00 H new ATOM 0 HG12 VAL A 32 10.663 5.129 -3.346 1.00 0.00 H new ATOM 0 HG13 VAL A 32 10.221 4.432 -4.922 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.724 7.146 -6.305 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.618 5.759 -6.444 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.009 7.327 -5.866 1.00 0.00 H new ATOM 450 N ILE A 33 6.510 4.249 -5.214 1.00 0.00 N ATOM 451 CA ILE A 33 6.092 3.092 -5.996 1.00 0.00 C ATOM 452 C ILE A 33 6.805 3.050 -7.343 1.00 0.00 C ATOM 453 O ILE A 33 6.601 3.918 -8.192 1.00 0.00 O ATOM 454 CB ILE A 33 4.569 3.095 -6.235 1.00 0.00 C ATOM 455 CG1 ILE A 33 3.824 3.319 -4.917 1.00 0.00 C ATOM 456 CG2 ILE A 33 4.131 1.790 -6.882 1.00 0.00 C ATOM 457 CD1 ILE A 33 2.403 3.807 -5.102 1.00 0.00 C ATOM 0 H ILE A 33 5.847 5.024 -5.220 1.00 0.00 H new ATOM 0 HA ILE A 33 6.361 2.208 -5.418 1.00 0.00 H new ATOM 0 HB ILE A 33 4.325 3.913 -6.912 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.809 2.386 -4.354 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.374 4.044 -4.317 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.053 1.808 -7.044 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.640 1.669 -7.838 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.386 0.956 -6.228 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.936 3.944 -4.127 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.411 4.756 -5.637 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.838 3.072 -5.675 1.00 0.00 H new ATOM 469 N ALA A 34 7.643 2.036 -7.532 1.00 0.00 N ATOM 470 CA ALA A 34 8.387 1.881 -8.776 1.00 0.00 C ATOM 471 C ALA A 34 9.277 3.092 -9.040 1.00 0.00 C ATOM 472 O ALA A 34 9.589 3.404 -10.190 1.00 0.00 O ATOM 473 CB ALA A 34 7.430 1.663 -9.938 1.00 0.00 C ATOM 0 H ALA A 34 7.824 1.309 -6.839 1.00 0.00 H new ATOM 0 HA ALA A 34 9.030 1.006 -8.679 1.00 0.00 H new ATOM 0 HB1 ALA A 34 7.998 1.549 -10.861 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.841 0.763 -9.761 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.763 2.521 -10.026 1.00 0.00 H new ATOM 479 N GLY A 35 9.683 3.769 -7.971 1.00 0.00 N ATOM 480 CA GLY A 35 10.534 4.937 -8.112 1.00 0.00 C ATOM 481 C GLY A 35 9.918 6.004 -8.995 1.00 0.00 C ATOM 482 O GLY A 35 10.627 6.709 -9.714 1.00 0.00 O ATOM 0 H GLY A 35 9.438 3.530 -7.010 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.734 5.357 -7.126 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.494 4.634 -8.530 1.00 0.00 H new ATOM 486 N GLN A 36 8.596 6.123 -8.941 1.00 0.00 N ATOM 487 CA GLN A 36 7.885 7.112 -9.744 1.00 0.00 C ATOM 488 C GLN A 36 6.800 7.801 -8.921 1.00 0.00 C ATOM 489 O GLN A 36 6.931 8.970 -8.557 1.00 0.00 O ATOM 490 CB GLN A 36 7.267 6.449 -10.977 1.00 0.00 C ATOM 491 CG GLN A 36 8.054 6.690 -12.255 1.00 0.00 C ATOM 492 CD GLN A 36 7.556 7.898 -13.026 1.00 0.00 C ATOM 493 OE1 GLN A 36 6.682 8.629 -12.561 1.00 0.00 O ATOM 494 NE2 GLN A 36 8.112 8.112 -14.214 1.00 0.00 N ATOM 0 H GLN A 36 7.995 5.548 -8.350 1.00 0.00 H new ATOM 0 HA GLN A 36 8.602 7.866 -10.069 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.192 5.376 -10.803 1.00 0.00 H new ATOM 0 HB3 GLN A 36 6.251 6.822 -11.109 1.00 0.00 H new ATOM 0 HG2 GLN A 36 9.107 6.829 -12.009 1.00 0.00 H new ATOM 0 HG3 GLN A 36 7.989 5.806 -12.890 1.00 0.00 H new ATOM 0 HE21 GLN A 36 8.834 7.480 -14.561 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.817 8.908 -14.779 1.00 0.00 H new ATOM 503 N LYS A 37 5.730 7.069 -8.632 1.00 0.00 N ATOM 504 CA LYS A 37 4.622 7.610 -7.853 1.00 0.00 C ATOM 505 C LYS A 37 5.058 7.909 -6.422 1.00 0.00 C ATOM 506 O LYS A 37 5.907 7.216 -5.863 1.00 0.00 O ATOM 507 CB LYS A 37 3.448 6.628 -7.846 1.00 0.00 C ATOM 508 CG LYS A 37 3.054 6.141 -9.231 1.00 0.00 C ATOM 509 CD LYS A 37 1.623 5.624 -9.257 1.00 0.00 C ATOM 510 CE LYS A 37 0.749 6.445 -10.192 1.00 0.00 C ATOM 511 NZ LYS A 37 0.046 7.544 -9.476 1.00 0.00 N ATOM 0 H LYS A 37 5.606 6.100 -8.925 1.00 0.00 H new ATOM 0 HA LYS A 37 4.304 8.542 -8.319 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.708 5.769 -7.228 1.00 0.00 H new ATOM 0 HB3 LYS A 37 2.587 7.107 -7.380 1.00 0.00 H new ATOM 0 HG2 LYS A 37 3.160 6.955 -9.948 1.00 0.00 H new ATOM 0 HG3 LYS A 37 3.733 5.349 -9.546 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.618 4.581 -9.575 1.00 0.00 H new ATOM 0 HD3 LYS A 37 1.207 5.652 -8.250 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.364 6.866 -10.987 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.015 5.794 -10.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.539 8.079 -10.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.561 7.142 -8.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.746 8.180 -9.044 1.00 0.00 H new ATOM 525 N VAL A 38 4.472 8.948 -5.836 1.00 0.00 N ATOM 526 CA VAL A 38 4.799 9.340 -4.470 1.00 0.00 C ATOM 527 C VAL A 38 3.636 9.056 -3.525 1.00 0.00 C ATOM 528 O VAL A 38 2.479 9.317 -3.854 1.00 0.00 O ATOM 529 CB VAL A 38 5.161 10.835 -4.386 1.00 0.00 C ATOM 530 CG1 VAL A 38 5.650 11.191 -2.990 1.00 0.00 C ATOM 531 CG2 VAL A 38 6.209 11.194 -5.430 1.00 0.00 C ATOM 0 H VAL A 38 3.768 9.534 -6.286 1.00 0.00 H new ATOM 0 HA VAL A 38 5.663 8.748 -4.168 1.00 0.00 H new ATOM 0 HB VAL A 38 4.262 11.416 -4.592 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.901 12.251 -2.952 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.866 10.977 -2.264 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.535 10.600 -2.753 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.450 12.254 -5.354 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.109 10.604 -5.260 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.819 10.982 -6.425 1.00 0.00 H new ATOM 541 N GLY A 39 3.953 8.523 -2.350 1.00 0.00 N ATOM 542 CA GLY A 39 2.924 8.213 -1.375 1.00 0.00 C ATOM 543 C GLY A 39 3.499 7.823 -0.028 1.00 0.00 C ATOM 544 O GLY A 39 4.619 7.318 0.054 1.00 0.00 O ATOM 0 H GLY A 39 4.904 8.300 -2.055 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.273 9.078 -1.252 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.305 7.399 -1.752 1.00 0.00 H new ATOM 548 N THR A 40 2.733 8.060 1.032 1.00 0.00 N ATOM 549 CA THR A 40 3.172 7.731 2.382 1.00 0.00 C ATOM 550 C THR A 40 2.851 6.279 2.721 1.00 0.00 C ATOM 551 O THR A 40 1.709 5.839 2.590 1.00 0.00 O ATOM 552 CB THR A 40 2.508 8.663 3.398 1.00 0.00 C ATOM 553 OG1 THR A 40 2.187 9.907 2.802 1.00 0.00 O ATOM 554 CG2 THR A 40 3.372 8.941 4.609 1.00 0.00 C ATOM 0 H THR A 40 1.804 8.479 0.981 1.00 0.00 H new ATOM 0 HA THR A 40 4.253 7.865 2.428 1.00 0.00 H new ATOM 0 HB THR A 40 1.610 8.140 3.726 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.762 10.488 3.467 1.00 0.00 H new ATOM 0 HG21 THR A 40 2.842 9.608 5.289 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.595 8.004 5.120 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.303 9.411 4.292 1.00 0.00 H new ATOM 562 N LEU A 41 3.866 5.539 3.155 1.00 0.00 N ATOM 563 CA LEU A 41 3.691 4.136 3.511 1.00 0.00 C ATOM 564 C LEU A 41 2.811 3.994 4.748 1.00 0.00 C ATOM 565 O LEU A 41 3.141 4.502 5.820 1.00 0.00 O ATOM 566 CB LEU A 41 5.050 3.478 3.761 1.00 0.00 C ATOM 567 CG LEU A 41 4.995 1.990 4.105 1.00 0.00 C ATOM 568 CD1 LEU A 41 4.829 1.156 2.844 1.00 0.00 C ATOM 569 CD2 LEU A 41 6.246 1.571 4.863 1.00 0.00 C ATOM 0 H LEU A 41 4.818 5.888 3.269 1.00 0.00 H new ATOM 0 HA LEU A 41 3.199 3.635 2.677 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.668 3.607 2.873 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.548 4.005 4.575 1.00 0.00 H new ATOM 0 HG LEU A 41 4.131 1.817 4.746 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.792 0.099 3.109 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.904 1.437 2.341 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.673 1.333 2.177 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.189 0.508 5.100 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.125 1.759 4.247 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.321 2.145 5.787 1.00 0.00 H new ATOM 581 N ARG A 42 1.688 3.300 4.592 1.00 0.00 N ATOM 582 CA ARG A 42 0.760 3.090 5.696 1.00 0.00 C ATOM 583 C ARG A 42 0.702 1.617 6.088 1.00 0.00 C ATOM 584 O ARG A 42 0.581 1.281 7.267 1.00 0.00 O ATOM 585 CB ARG A 42 -0.639 3.583 5.316 1.00 0.00 C ATOM 586 CG ARG A 42 -0.680 5.054 4.933 1.00 0.00 C ATOM 587 CD ARG A 42 -0.357 5.949 6.120 1.00 0.00 C ATOM 588 NE ARG A 42 -1.555 6.580 6.671 1.00 0.00 N ATOM 589 CZ ARG A 42 -1.534 7.472 7.659 1.00 0.00 C ATOM 590 NH1 ARG A 42 -0.383 7.840 8.207 1.00 0.00 N ATOM 591 NH2 ARG A 42 -2.669 7.996 8.102 1.00 0.00 N ATOM 0 H ARG A 42 1.399 2.874 3.711 1.00 0.00 H new ATOM 0 HA ARG A 42 1.120 3.661 6.552 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -1.011 2.988 4.482 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.315 3.415 6.154 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.033 5.242 4.130 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -1.668 5.303 4.547 1.00 0.00 H new ATOM 0 HD2 ARG A 42 0.132 5.360 6.896 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.350 6.720 5.812 1.00 0.00 H new ATOM 0 HE ARG A 42 -2.459 6.322 6.276 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.493 7.439 7.872 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.374 8.524 8.964 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -3.557 7.715 7.686 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.654 8.679 8.859 1.00 0.00 H new ATOM 605 N PHE A 43 0.790 0.741 5.092 1.00 0.00 N ATOM 606 CA PHE A 43 0.748 -0.697 5.333 1.00 0.00 C ATOM 607 C PHE A 43 1.832 -1.415 4.535 1.00 0.00 C ATOM 608 O PHE A 43 2.262 -0.938 3.485 1.00 0.00 O ATOM 609 CB PHE A 43 -0.628 -1.256 4.966 1.00 0.00 C ATOM 610 CG PHE A 43 -0.809 -2.699 5.341 1.00 0.00 C ATOM 611 CD1 PHE A 43 -1.131 -3.056 6.640 1.00 0.00 C ATOM 612 CD2 PHE A 43 -0.657 -3.699 4.393 1.00 0.00 C ATOM 613 CE1 PHE A 43 -1.299 -4.383 6.988 1.00 0.00 C ATOM 614 CE2 PHE A 43 -0.823 -5.028 4.735 1.00 0.00 C ATOM 615 CZ PHE A 43 -1.145 -5.370 6.034 1.00 0.00 C ATOM 0 H PHE A 43 0.891 1.002 4.111 1.00 0.00 H new ATOM 0 HA PHE A 43 0.931 -0.868 6.394 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.396 -0.661 5.460 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.781 -1.146 3.892 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.252 -2.288 7.390 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -0.406 -3.437 3.376 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.550 -4.648 8.004 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.701 -5.798 3.988 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.276 -6.408 6.303 1.00 0.00 H new ATOM 625 N CYS A 44 2.268 -2.564 5.042 1.00 0.00 N ATOM 626 CA CYS A 44 3.302 -3.348 4.376 1.00 0.00 C ATOM 627 C CYS A 44 3.155 -4.831 4.704 1.00 0.00 C ATOM 628 O CYS A 44 3.072 -5.213 5.871 1.00 0.00 O ATOM 629 CB CYS A 44 4.690 -2.858 4.791 1.00 0.00 C ATOM 630 SG CYS A 44 4.965 -2.846 6.578 1.00 0.00 S ATOM 0 H CYS A 44 1.922 -2.972 5.910 1.00 0.00 H new ATOM 0 HA CYS A 44 3.185 -3.218 3.300 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.443 -3.492 4.323 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.838 -1.850 4.405 1.00 0.00 H new ATOM 0 HG CYS A 44 4.305 -3.823 7.125 1.00 0.00 H new ATOM 636 N GLY A 45 3.122 -5.661 3.667 1.00 0.00 N ATOM 637 CA GLY A 45 2.985 -7.091 3.866 1.00 0.00 C ATOM 638 C GLY A 45 2.351 -7.784 2.676 1.00 0.00 C ATOM 639 O GLY A 45 2.696 -7.501 1.528 1.00 0.00 O ATOM 0 H GLY A 45 3.188 -5.368 2.692 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.967 -7.524 4.054 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.380 -7.275 4.754 1.00 0.00 H new ATOM 643 N THR A 46 1.422 -8.695 2.949 1.00 0.00 N ATOM 644 CA THR A 46 0.739 -9.431 1.892 1.00 0.00 C ATOM 645 C THR A 46 -0.760 -9.153 1.918 1.00 0.00 C ATOM 646 O THR A 46 -1.344 -8.937 2.980 1.00 0.00 O ATOM 647 CB THR A 46 0.992 -10.931 2.041 1.00 0.00 C ATOM 648 OG1 THR A 46 0.472 -11.409 3.268 1.00 0.00 O ATOM 649 CG2 THR A 46 2.459 -11.299 1.990 1.00 0.00 C ATOM 0 H THR A 46 1.125 -8.941 3.893 1.00 0.00 H new ATOM 0 HA THR A 46 1.137 -9.095 0.934 1.00 0.00 H new ATOM 0 HB THR A 46 0.488 -11.393 1.192 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.643 -12.371 3.343 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.568 -12.378 2.102 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.879 -10.989 1.033 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.989 -10.795 2.799 1.00 0.00 H new ATOM 657 N THR A 47 -1.379 -9.158 0.742 1.00 0.00 N ATOM 658 CA THR A 47 -2.811 -8.908 0.630 1.00 0.00 C ATOM 659 C THR A 47 -3.594 -10.217 0.630 1.00 0.00 C ATOM 660 O THR A 47 -3.016 -11.297 0.748 1.00 0.00 O ATOM 661 CB THR A 47 -3.114 -8.120 -0.646 1.00 0.00 C ATOM 662 OG1 THR A 47 -2.594 -8.787 -1.782 1.00 0.00 O ATOM 663 CG2 THR A 47 -2.540 -6.719 -0.634 1.00 0.00 C ATOM 0 H THR A 47 -0.911 -9.333 -0.147 1.00 0.00 H new ATOM 0 HA THR A 47 -3.120 -8.320 1.494 1.00 0.00 H new ATOM 0 HB THR A 47 -4.201 -8.050 -0.692 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.709 -8.425 -1.997 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.791 -6.215 -1.567 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.959 -6.161 0.204 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.456 -6.771 -0.530 1.00 0.00 H new ATOM 671 N GLU A 48 -4.912 -10.112 0.499 1.00 0.00 N ATOM 672 CA GLU A 48 -5.775 -11.289 0.485 1.00 0.00 C ATOM 673 C GLU A 48 -6.358 -11.518 -0.905 1.00 0.00 C ATOM 674 O GLU A 48 -6.607 -12.657 -1.304 1.00 0.00 O ATOM 675 CB GLU A 48 -6.904 -11.130 1.505 1.00 0.00 C ATOM 676 CG GLU A 48 -6.417 -10.802 2.907 1.00 0.00 C ATOM 677 CD GLU A 48 -6.634 -11.942 3.884 1.00 0.00 C ATOM 678 OE1 GLU A 48 -6.356 -13.101 3.513 1.00 0.00 O ATOM 679 OE2 GLU A 48 -7.082 -11.675 5.018 1.00 0.00 O ATOM 0 H GLU A 48 -5.406 -9.225 0.401 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.171 -12.156 0.753 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -7.577 -10.341 1.169 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.485 -12.052 1.538 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.355 -10.557 2.870 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.936 -9.915 3.269 1.00 0.00 H new ATOM 686 N PHE A 49 -6.576 -10.431 -1.637 1.00 0.00 N ATOM 687 CA PHE A 49 -7.131 -10.514 -2.982 1.00 0.00 C ATOM 688 C PHE A 49 -6.054 -10.897 -3.994 1.00 0.00 C ATOM 689 O PHE A 49 -6.262 -11.770 -4.836 1.00 0.00 O ATOM 690 CB PHE A 49 -7.764 -9.179 -3.378 1.00 0.00 C ATOM 691 CG PHE A 49 -6.785 -8.042 -3.430 1.00 0.00 C ATOM 692 CD1 PHE A 49 -6.526 -7.281 -2.301 1.00 0.00 C ATOM 693 CD2 PHE A 49 -6.122 -7.735 -4.607 1.00 0.00 C ATOM 694 CE1 PHE A 49 -5.625 -6.235 -2.345 1.00 0.00 C ATOM 695 CE2 PHE A 49 -5.220 -6.688 -4.658 1.00 0.00 C ATOM 696 CZ PHE A 49 -4.971 -5.938 -3.526 1.00 0.00 C ATOM 0 H PHE A 49 -6.377 -9.482 -1.321 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.898 -11.288 -2.983 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -8.236 -9.286 -4.355 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -8.553 -8.936 -2.667 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -7.035 -7.509 -1.376 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.312 -8.320 -5.495 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -5.432 -5.650 -1.458 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.711 -6.457 -5.582 1.00 0.00 H new ATOM 0 HZ PHE A 49 -4.266 -5.120 -3.563 1.00 0.00 H new ATOM 706 N ALA A 50 -4.904 -10.238 -3.903 1.00 0.00 N ATOM 707 CA ALA A 50 -3.795 -10.509 -4.810 1.00 0.00 C ATOM 708 C ALA A 50 -2.717 -11.342 -4.126 1.00 0.00 C ATOM 709 O ALA A 50 -2.759 -11.554 -2.914 1.00 0.00 O ATOM 710 CB ALA A 50 -3.207 -9.204 -5.328 1.00 0.00 C ATOM 0 H ALA A 50 -4.716 -9.513 -3.211 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.179 -11.083 -5.653 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.380 -9.421 -6.004 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.976 -8.645 -5.862 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.844 -8.610 -4.489 1.00 0.00 H new ATOM 716 N SER A 51 -1.752 -11.809 -4.909 1.00 0.00 N ATOM 717 CA SER A 51 -0.660 -12.619 -4.379 1.00 0.00 C ATOM 718 C SER A 51 0.666 -11.870 -4.468 1.00 0.00 C ATOM 719 O SER A 51 0.751 -10.812 -5.090 1.00 0.00 O ATOM 720 CB SER A 51 -0.564 -13.943 -5.140 1.00 0.00 C ATOM 721 OG SER A 51 -0.002 -14.959 -4.327 1.00 0.00 O ATOM 0 H SER A 51 -1.703 -11.641 -5.914 1.00 0.00 H new ATOM 0 HA SER A 51 -0.870 -12.825 -3.329 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.556 -14.247 -5.474 1.00 0.00 H new ATOM 0 HB3 SER A 51 0.046 -13.809 -6.034 1.00 0.00 H new ATOM 0 HG SER A 51 0.047 -15.795 -4.836 1.00 0.00 H new ATOM 727 N GLY A 52 1.697 -12.427 -3.841 1.00 0.00 N ATOM 728 CA GLY A 52 3.005 -11.799 -3.862 1.00 0.00 C ATOM 729 C GLY A 52 3.137 -10.699 -2.827 1.00 0.00 C ATOM 730 O GLY A 52 2.382 -10.658 -1.857 1.00 0.00 O ATOM 0 H GLY A 52 1.650 -13.302 -3.319 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.770 -12.555 -3.684 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.190 -11.385 -4.853 1.00 0.00 H new ATOM 734 N GLN A 53 4.099 -9.806 -3.035 1.00 0.00 N ATOM 735 CA GLN A 53 4.329 -8.701 -2.113 1.00 0.00 C ATOM 736 C GLN A 53 3.355 -7.557 -2.379 1.00 0.00 C ATOM 737 O GLN A 53 2.929 -7.343 -3.514 1.00 0.00 O ATOM 738 CB GLN A 53 5.771 -8.201 -2.233 1.00 0.00 C ATOM 739 CG GLN A 53 6.476 -8.051 -0.895 1.00 0.00 C ATOM 740 CD GLN A 53 6.472 -9.335 -0.087 1.00 0.00 C ATOM 741 OE1 GLN A 53 6.626 -10.427 -0.635 1.00 0.00 O ATOM 742 NE2 GLN A 53 6.296 -9.209 1.222 1.00 0.00 N ATOM 0 H GLN A 53 4.732 -9.826 -3.835 1.00 0.00 H new ATOM 0 HA GLN A 53 4.162 -9.065 -1.099 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.336 -8.894 -2.856 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.772 -7.239 -2.745 1.00 0.00 H new ATOM 0 HG2 GLN A 53 7.506 -7.736 -1.064 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.992 -7.262 -0.319 1.00 0.00 H new ATOM 0 HE21 GLN A 53 6.172 -8.284 1.633 1.00 0.00 H new ATOM 0 HE22 GLN A 53 6.284 -10.037 1.817 1.00 0.00 H new ATOM 751 N TRP A 54 3.008 -6.824 -1.326 1.00 0.00 N ATOM 752 CA TRP A 54 2.085 -5.703 -1.446 1.00 0.00 C ATOM 753 C TRP A 54 2.268 -4.722 -0.292 1.00 0.00 C ATOM 754 O TRP A 54 2.869 -5.054 0.729 1.00 0.00 O ATOM 755 CB TRP A 54 0.639 -6.204 -1.479 1.00 0.00 C ATOM 756 CG TRP A 54 0.296 -6.942 -2.737 1.00 0.00 C ATOM 757 CD1 TRP A 54 0.046 -8.278 -2.860 1.00 0.00 C ATOM 758 CD2 TRP A 54 0.165 -6.386 -4.049 1.00 0.00 C ATOM 759 NE1 TRP A 54 -0.233 -8.587 -4.169 1.00 0.00 N ATOM 760 CE2 TRP A 54 -0.166 -7.442 -4.919 1.00 0.00 C ATOM 761 CE3 TRP A 54 0.294 -5.096 -4.574 1.00 0.00 C ATOM 762 CZ2 TRP A 54 -0.369 -7.248 -6.284 1.00 0.00 C ATOM 763 CZ3 TRP A 54 0.093 -4.905 -5.928 1.00 0.00 C ATOM 764 CH2 TRP A 54 -0.236 -5.976 -6.769 1.00 0.00 C ATOM 0 H TRP A 54 3.353 -6.987 -0.380 1.00 0.00 H new ATOM 0 HA TRP A 54 2.304 -5.185 -2.380 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.469 -6.859 -0.624 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.035 -5.355 -1.369 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.065 -8.989 -2.047 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -0.454 -9.517 -4.525 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.546 -4.264 -3.933 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.622 -8.072 -6.935 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 0.191 -3.913 -6.345 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.388 -5.793 -7.823 1.00 0.00 H new ATOM 775 N ALA A 55 1.744 -3.512 -0.462 1.00 0.00 N ATOM 776 CA ALA A 55 1.849 -2.483 0.564 1.00 0.00 C ATOM 777 C ALA A 55 0.787 -1.405 0.370 1.00 0.00 C ATOM 778 O ALA A 55 0.473 -1.026 -0.759 1.00 0.00 O ATOM 779 CB ALA A 55 3.240 -1.867 0.553 1.00 0.00 C ATOM 0 H ALA A 55 1.242 -3.221 -1.301 1.00 0.00 H new ATOM 0 HA ALA A 55 1.680 -2.951 1.534 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.304 -1.100 1.325 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.982 -2.641 0.748 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.432 -1.418 -0.422 1.00 0.00 H new ATOM 785 N GLY A 56 0.238 -0.915 1.476 1.00 0.00 N ATOM 786 CA GLY A 56 -0.783 0.114 1.404 1.00 0.00 C ATOM 787 C GLY A 56 -0.210 1.511 1.542 1.00 0.00 C ATOM 788 O GLY A 56 0.046 1.977 2.653 1.00 0.00 O ATOM 0 H GLY A 56 0.482 -1.212 2.421 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.309 0.033 0.453 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.519 -0.053 2.191 1.00 0.00 H new ATOM 792 N ILE A 57 -0.007 2.180 0.412 1.00 0.00 N ATOM 793 CA ILE A 57 0.539 3.532 0.412 1.00 0.00 C ATOM 794 C ILE A 57 -0.531 4.556 0.052 1.00 0.00 C ATOM 795 O ILE A 57 -1.381 4.308 -0.803 1.00 0.00 O ATOM 796 CB ILE A 57 1.712 3.664 -0.579 1.00 0.00 C ATOM 797 CG1 ILE A 57 2.712 2.524 -0.376 1.00 0.00 C ATOM 798 CG2 ILE A 57 2.397 5.012 -0.413 1.00 0.00 C ATOM 799 CD1 ILE A 57 3.682 2.359 -1.526 1.00 0.00 C ATOM 0 H ILE A 57 -0.212 1.808 -0.515 1.00 0.00 H new ATOM 0 HA ILE A 57 0.901 3.727 1.421 1.00 0.00 H new ATOM 0 HB ILE A 57 1.319 3.600 -1.594 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.274 2.704 0.540 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.165 1.592 -0.236 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.223 5.090 -1.120 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.680 5.810 -0.604 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.780 5.103 0.604 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.361 1.533 -1.314 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.129 2.148 -2.441 1.00 0.00 H new ATOM 0 HD13 ILE A 57 4.256 3.277 -1.652 1.00 0.00 H new ATOM 811 N GLU A 58 -0.484 5.710 0.710 1.00 0.00 N ATOM 812 CA GLU A 58 -1.450 6.774 0.459 1.00 0.00 C ATOM 813 C GLU A 58 -0.828 7.886 -0.379 1.00 0.00 C ATOM 814 O GLU A 58 -0.034 8.683 0.121 1.00 0.00 O ATOM 815 CB GLU A 58 -1.969 7.343 1.780 1.00 0.00 C ATOM 816 CG GLU A 58 -3.154 8.280 1.616 1.00 0.00 C ATOM 817 CD GLU A 58 -2.819 9.717 1.968 1.00 0.00 C ATOM 818 OE1 GLU A 58 -2.972 10.089 3.149 1.00 0.00 O ATOM 819 OE2 GLU A 58 -2.400 10.467 1.061 1.00 0.00 O ATOM 0 H GLU A 58 0.213 5.932 1.421 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.285 6.349 -0.097 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.256 6.519 2.433 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.160 7.878 2.278 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.507 8.236 0.586 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.973 7.937 2.248 1.00 0.00 H new ATOM 826 N LEU A 59 -1.195 7.933 -1.655 1.00 0.00 N ATOM 827 CA LEU A 59 -0.672 8.949 -2.563 1.00 0.00 C ATOM 828 C LEU A 59 -1.045 10.349 -2.086 1.00 0.00 C ATOM 829 O LEU A 59 -2.061 10.538 -1.416 1.00 0.00 O ATOM 830 CB LEU A 59 -1.207 8.721 -3.978 1.00 0.00 C ATOM 831 CG LEU A 59 -0.752 7.418 -4.639 1.00 0.00 C ATOM 832 CD1 LEU A 59 -1.692 7.039 -5.773 1.00 0.00 C ATOM 833 CD2 LEU A 59 0.675 7.550 -5.149 1.00 0.00 C ATOM 0 H LEU A 59 -1.851 7.281 -2.084 1.00 0.00 H new ATOM 0 HA LEU A 59 0.415 8.866 -2.574 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.296 8.733 -3.945 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.898 9.557 -4.606 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.778 6.625 -3.892 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -1.353 6.110 -6.231 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.700 6.903 -5.380 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.698 7.832 -6.521 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.982 6.614 -5.616 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.727 8.355 -5.882 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.340 7.775 -4.315 1.00 0.00 H new ATOM 845 N ASP A 60 -0.217 11.327 -2.437 1.00 0.00 N ATOM 846 CA ASP A 60 -0.458 12.712 -2.045 1.00 0.00 C ATOM 847 C ASP A 60 -1.625 13.303 -2.830 1.00 0.00 C ATOM 848 O ASP A 60 -2.334 14.182 -2.339 1.00 0.00 O ATOM 849 CB ASP A 60 0.801 13.553 -2.266 1.00 0.00 C ATOM 850 CG ASP A 60 1.591 13.758 -0.989 1.00 0.00 C ATOM 851 OD1 ASP A 60 2.231 12.791 -0.524 1.00 0.00 O ATOM 852 OD2 ASP A 60 1.571 14.886 -0.454 1.00 0.00 O ATOM 0 H ASP A 60 0.627 11.187 -2.992 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.713 12.726 -0.985 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.434 13.066 -3.007 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.519 14.523 -2.675 1.00 0.00 H new ATOM 857 N GLU A 61 -1.819 12.817 -4.052 1.00 0.00 N ATOM 858 CA GLU A 61 -2.899 13.299 -4.905 1.00 0.00 C ATOM 859 C GLU A 61 -3.868 12.170 -5.248 1.00 0.00 C ATOM 860 O GLU A 61 -3.518 10.993 -5.163 1.00 0.00 O ATOM 861 CB GLU A 61 -2.331 13.905 -6.188 1.00 0.00 C ATOM 862 CG GLU A 61 -1.186 14.876 -5.947 1.00 0.00 C ATOM 863 CD GLU A 61 -1.589 16.046 -5.074 1.00 0.00 C ATOM 864 OE1 GLU A 61 -2.492 16.808 -5.479 1.00 0.00 O ATOM 865 OE2 GLU A 61 -1.002 16.203 -3.982 1.00 0.00 O ATOM 0 H GLU A 61 -1.242 12.089 -4.474 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.444 14.068 -4.358 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.984 13.101 -6.837 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -3.129 14.422 -6.720 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.357 14.346 -5.478 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.824 15.250 -6.905 1.00 0.00 H new ATOM 872 N PRO A 62 -5.106 12.516 -5.641 1.00 0.00 N ATOM 873 CA PRO A 62 -6.128 11.526 -5.998 1.00 0.00 C ATOM 874 C PRO A 62 -5.701 10.657 -7.177 1.00 0.00 C ATOM 875 O PRO A 62 -6.020 10.954 -8.328 1.00 0.00 O ATOM 876 CB PRO A 62 -7.349 12.376 -6.376 1.00 0.00 C ATOM 877 CG PRO A 62 -7.098 13.713 -5.766 1.00 0.00 C ATOM 878 CD PRO A 62 -5.607 13.895 -5.770 1.00 0.00 C ATOM 0 HA PRO A 62 -6.319 10.831 -5.180 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -7.457 12.451 -7.458 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.270 11.935 -5.993 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.589 14.501 -6.337 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.494 13.760 -4.752 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -5.260 14.366 -6.690 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -5.275 14.524 -4.944 1.00 0.00 H new ATOM 886 N GLU A 63 -4.979 9.581 -6.883 1.00 0.00 N ATOM 887 CA GLU A 63 -4.509 8.669 -7.919 1.00 0.00 C ATOM 888 C GLU A 63 -4.545 7.225 -7.430 1.00 0.00 C ATOM 889 O GLU A 63 -3.733 6.398 -7.844 1.00 0.00 O ATOM 890 CB GLU A 63 -3.088 9.042 -8.348 1.00 0.00 C ATOM 891 CG GLU A 63 -3.039 9.957 -9.561 1.00 0.00 C ATOM 892 CD GLU A 63 -1.723 10.699 -9.680 1.00 0.00 C ATOM 893 OE1 GLU A 63 -1.289 11.300 -8.676 1.00 0.00 O ATOM 894 OE2 GLU A 63 -1.126 10.678 -10.777 1.00 0.00 O ATOM 0 H GLU A 63 -4.707 9.319 -5.936 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.175 8.758 -8.777 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.582 9.530 -7.515 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.533 8.130 -8.568 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.202 9.367 -10.463 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.854 10.678 -9.500 1.00 0.00 H new ATOM 901 N GLY A 64 -5.493 6.928 -6.547 1.00 0.00 N ATOM 902 CA GLY A 64 -5.618 5.583 -6.015 1.00 0.00 C ATOM 903 C GLY A 64 -6.938 4.935 -6.385 1.00 0.00 C ATOM 904 O GLY A 64 -7.945 5.621 -6.566 1.00 0.00 O ATOM 0 H GLY A 64 -6.177 7.595 -6.190 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.798 4.970 -6.389 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -5.523 5.614 -4.930 1.00 0.00 H new ATOM 908 N LYS A 65 -6.935 3.611 -6.495 1.00 0.00 N ATOM 909 CA LYS A 65 -8.141 2.870 -6.844 1.00 0.00 C ATOM 910 C LYS A 65 -8.749 2.209 -5.611 1.00 0.00 C ATOM 911 O LYS A 65 -9.375 1.154 -5.705 1.00 0.00 O ATOM 912 CB LYS A 65 -7.826 1.809 -7.901 1.00 0.00 C ATOM 913 CG LYS A 65 -7.635 2.380 -9.298 1.00 0.00 C ATOM 914 CD LYS A 65 -7.127 1.324 -10.267 1.00 0.00 C ATOM 915 CE LYS A 65 -8.241 0.807 -11.163 1.00 0.00 C ATOM 916 NZ LYS A 65 -9.047 -0.251 -10.493 1.00 0.00 N ATOM 0 H LYS A 65 -6.110 3.029 -6.347 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.865 3.576 -7.251 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.922 1.274 -7.609 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.635 1.079 -7.923 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.581 2.783 -9.660 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.929 3.210 -9.260 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.331 1.745 -10.881 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.694 0.494 -9.708 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.892 1.634 -11.447 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.812 0.409 -12.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.763 -0.613 -11.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.423 -1.029 -10.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.519 0.149 -9.657 1.00 0.00 H new ATOM 930 N ASN A 66 -8.559 2.838 -4.455 1.00 0.00 N ATOM 931 CA ASN A 66 -9.090 2.310 -3.203 1.00 0.00 C ATOM 932 C ASN A 66 -9.250 3.421 -2.169 1.00 0.00 C ATOM 933 O ASN A 66 -8.595 4.460 -2.254 1.00 0.00 O ATOM 934 CB ASN A 66 -8.170 1.218 -2.657 1.00 0.00 C ATOM 935 CG ASN A 66 -8.135 -0.008 -3.549 1.00 0.00 C ATOM 936 OD1 ASN A 66 -9.165 -0.627 -3.813 1.00 0.00 O ATOM 937 ND2 ASN A 66 -6.945 -0.365 -4.017 1.00 0.00 N ATOM 0 H ASN A 66 -8.042 3.712 -4.359 1.00 0.00 H new ATOM 0 HA ASN A 66 -10.072 1.882 -3.404 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.161 1.616 -2.552 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.505 0.930 -1.661 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -6.859 -1.182 -4.621 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.117 0.178 -3.772 1.00 0.00 H new ATOM 944 N ASN A 67 -10.123 3.193 -1.194 1.00 0.00 N ATOM 945 CA ASN A 67 -10.368 4.174 -0.144 1.00 0.00 C ATOM 946 C ASN A 67 -9.877 3.662 1.206 1.00 0.00 C ATOM 947 O ASN A 67 -10.447 3.983 2.249 1.00 0.00 O ATOM 948 CB ASN A 67 -11.860 4.505 -0.064 1.00 0.00 C ATOM 949 CG ASN A 67 -12.727 3.263 -0.024 1.00 0.00 C ATOM 950 OD1 ASN A 67 -12.836 2.535 -1.013 1.00 0.00 O ATOM 951 ND2 ASN A 67 -13.351 3.011 1.121 1.00 0.00 N ATOM 0 H ASN A 67 -10.672 2.338 -1.109 1.00 0.00 H new ATOM 0 HA ASN A 67 -9.814 5.079 -0.392 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -12.049 5.105 0.826 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -12.141 5.113 -0.924 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -13.948 2.188 1.206 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -13.233 3.640 1.915 1.00 0.00 H new ATOM 958 N GLY A 68 -8.816 2.861 1.178 1.00 0.00 N ATOM 959 CA GLY A 68 -8.265 2.316 2.406 1.00 0.00 C ATOM 960 C GLY A 68 -8.505 0.825 2.538 1.00 0.00 C ATOM 961 O GLY A 68 -7.726 0.118 3.176 1.00 0.00 O ATOM 0 H GLY A 68 -8.328 2.580 0.328 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -7.193 2.513 2.438 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.709 2.829 3.259 1.00 0.00 H new ATOM 965 N SER A 69 -9.589 0.346 1.935 1.00 0.00 N ATOM 966 CA SER A 69 -9.930 -1.070 1.988 1.00 0.00 C ATOM 967 C SER A 69 -10.295 -1.594 0.603 1.00 0.00 C ATOM 968 O SER A 69 -10.745 -0.838 -0.258 1.00 0.00 O ATOM 969 CB SER A 69 -11.091 -1.301 2.956 1.00 0.00 C ATOM 970 OG SER A 69 -12.162 -0.412 2.689 1.00 0.00 O ATOM 0 H SER A 69 -10.246 0.918 1.404 1.00 0.00 H new ATOM 0 HA SER A 69 -9.056 -1.615 2.344 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.439 -2.330 2.872 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.747 -1.163 3.981 1.00 0.00 H new ATOM 0 HG SER A 69 -12.892 -0.581 3.320 1.00 0.00 H new ATOM 976 N VAL A 70 -10.099 -2.892 0.395 1.00 0.00 N ATOM 977 CA VAL A 70 -10.409 -3.516 -0.885 1.00 0.00 C ATOM 978 C VAL A 70 -11.308 -4.734 -0.697 1.00 0.00 C ATOM 979 O VAL A 70 -10.848 -5.803 -0.297 1.00 0.00 O ATOM 980 CB VAL A 70 -9.128 -3.947 -1.626 1.00 0.00 C ATOM 981 CG1 VAL A 70 -9.461 -4.452 -3.021 1.00 0.00 C ATOM 982 CG2 VAL A 70 -8.134 -2.797 -1.690 1.00 0.00 C ATOM 0 H VAL A 70 -9.727 -3.532 1.097 1.00 0.00 H new ATOM 0 HA VAL A 70 -10.931 -2.769 -1.483 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.667 -4.764 -1.070 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.544 -4.751 -3.528 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -10.131 -5.308 -2.948 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.947 -3.659 -3.589 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.236 -3.121 -2.217 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -8.583 -1.957 -2.220 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.870 -2.488 -0.679 1.00 0.00 H new ATOM 992 N GLY A 71 -12.594 -4.563 -0.989 1.00 0.00 N ATOM 993 CA GLY A 71 -13.537 -5.657 -0.846 1.00 0.00 C ATOM 994 C GLY A 71 -13.976 -5.860 0.591 1.00 0.00 C ATOM 995 O GLY A 71 -14.579 -4.972 1.195 1.00 0.00 O ATOM 0 H GLY A 71 -12.999 -3.688 -1.321 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -14.412 -5.462 -1.466 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -13.082 -6.576 -1.217 1.00 0.00 H new ATOM 999 N ARG A 72 -13.673 -7.032 1.140 1.00 0.00 N ATOM 1000 CA ARG A 72 -14.040 -7.349 2.515 1.00 0.00 C ATOM 1001 C ARG A 72 -12.807 -7.387 3.413 1.00 0.00 C ATOM 1002 O ARG A 72 -12.768 -8.124 4.399 1.00 0.00 O ATOM 1003 CB ARG A 72 -14.769 -8.693 2.573 1.00 0.00 C ATOM 1004 CG ARG A 72 -15.563 -8.899 3.852 1.00 0.00 C ATOM 1005 CD ARG A 72 -15.987 -10.350 4.017 1.00 0.00 C ATOM 1006 NE ARG A 72 -14.841 -11.238 4.193 1.00 0.00 N ATOM 1007 CZ ARG A 72 -14.187 -11.385 5.343 1.00 0.00 C ATOM 1008 NH1 ARG A 72 -14.561 -10.703 6.419 1.00 0.00 N ATOM 1009 NH2 ARG A 72 -13.155 -12.213 5.418 1.00 0.00 N ATOM 0 H ARG A 72 -13.175 -7.777 0.654 1.00 0.00 H new ATOM 0 HA ARG A 72 -14.706 -6.566 2.877 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -15.444 -8.768 1.720 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -14.040 -9.497 2.474 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -14.961 -8.595 4.708 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -16.446 -8.260 3.840 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -16.650 -10.438 4.878 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -16.557 -10.663 3.142 1.00 0.00 H new ATOM 0 HE ARG A 72 -14.523 -11.777 3.388 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -15.353 -10.063 6.367 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -14.056 -10.820 7.298 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -12.861 -12.738 4.594 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -12.654 -12.325 6.299 1.00 0.00 H new ATOM 1023 N VAL A 73 -11.802 -6.589 3.067 1.00 0.00 N ATOM 1024 CA VAL A 73 -10.569 -6.534 3.842 1.00 0.00 C ATOM 1025 C VAL A 73 -10.134 -5.092 4.081 1.00 0.00 C ATOM 1026 O VAL A 73 -10.306 -4.230 3.218 1.00 0.00 O ATOM 1027 CB VAL A 73 -9.427 -7.291 3.139 1.00 0.00 C ATOM 1028 CG1 VAL A 73 -8.214 -7.394 4.048 1.00 0.00 C ATOM 1029 CG2 VAL A 73 -9.893 -8.672 2.702 1.00 0.00 C ATOM 0 H VAL A 73 -11.818 -5.972 2.255 1.00 0.00 H new ATOM 0 HA VAL A 73 -10.777 -7.013 4.799 1.00 0.00 H new ATOM 0 HB VAL A 73 -9.138 -6.731 2.250 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -7.418 -7.932 3.533 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.867 -6.394 4.307 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -8.485 -7.930 4.957 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.073 -9.193 2.207 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -10.211 -9.242 3.575 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -10.729 -8.572 2.010 1.00 0.00 H new ATOM 1039 N GLN A 74 -9.570 -4.836 5.257 1.00 0.00 N ATOM 1040 CA GLN A 74 -9.110 -3.497 5.609 1.00 0.00 C ATOM 1041 C GLN A 74 -7.606 -3.489 5.860 1.00 0.00 C ATOM 1042 O GLN A 74 -7.043 -4.466 6.353 1.00 0.00 O ATOM 1043 CB GLN A 74 -9.848 -2.992 6.850 1.00 0.00 C ATOM 1044 CG GLN A 74 -9.524 -1.550 7.205 1.00 0.00 C ATOM 1045 CD GLN A 74 -10.361 -0.555 6.425 1.00 0.00 C ATOM 1046 OE1 GLN A 74 -11.504 -0.835 6.065 1.00 0.00 O ATOM 1047 NE2 GLN A 74 -9.793 0.616 6.158 1.00 0.00 N ATOM 0 H GLN A 74 -9.420 -5.538 5.982 1.00 0.00 H new ATOM 0 HA GLN A 74 -9.325 -2.833 4.772 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -10.922 -3.085 6.687 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.598 -3.631 7.697 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -9.686 -1.397 8.272 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -8.468 -1.361 7.012 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -8.843 0.806 6.476 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -10.307 1.325 5.635 1.00 0.00 H new ATOM 1056 N TYR A 75 -6.960 -2.379 5.516 1.00 0.00 N ATOM 1057 CA TYR A 75 -5.521 -2.242 5.704 1.00 0.00 C ATOM 1058 C TYR A 75 -5.185 -0.931 6.407 1.00 0.00 C ATOM 1059 O TYR A 75 -4.684 -0.929 7.531 1.00 0.00 O ATOM 1060 CB TYR A 75 -4.800 -2.310 4.356 1.00 0.00 C ATOM 1061 CG TYR A 75 -5.216 -3.489 3.505 1.00 0.00 C ATOM 1062 CD1 TYR A 75 -6.417 -3.477 2.808 1.00 0.00 C ATOM 1063 CD2 TYR A 75 -4.407 -4.613 3.399 1.00 0.00 C ATOM 1064 CE1 TYR A 75 -6.802 -4.553 2.029 1.00 0.00 C ATOM 1065 CE2 TYR A 75 -4.784 -5.692 2.623 1.00 0.00 C ATOM 1066 CZ TYR A 75 -5.981 -5.658 1.940 1.00 0.00 C ATOM 1067 OH TYR A 75 -6.359 -6.730 1.165 1.00 0.00 O ATOM 0 H TYR A 75 -7.411 -1.561 5.105 1.00 0.00 H new ATOM 0 HA TYR A 75 -5.183 -3.067 6.332 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -4.991 -1.389 3.805 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -3.725 -2.360 4.531 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -7.061 -2.613 2.875 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.468 -4.644 3.932 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -7.740 -4.528 1.494 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -4.144 -6.559 2.552 1.00 0.00 H new ATOM 0 HH TYR A 75 -6.200 -6.523 0.220 1.00 0.00 H new ATOM 1077 N PHE A 76 -5.466 0.182 5.737 1.00 0.00 N ATOM 1078 CA PHE A 76 -5.194 1.500 6.297 1.00 0.00 C ATOM 1079 C PHE A 76 -6.314 2.478 5.957 1.00 0.00 C ATOM 1080 O PHE A 76 -7.041 2.289 4.980 1.00 0.00 O ATOM 1081 CB PHE A 76 -3.860 2.035 5.774 1.00 0.00 C ATOM 1082 CG PHE A 76 -3.837 2.238 4.286 1.00 0.00 C ATOM 1083 CD1 PHE A 76 -3.655 1.163 3.430 1.00 0.00 C ATOM 1084 CD2 PHE A 76 -3.996 3.502 3.744 1.00 0.00 C ATOM 1085 CE1 PHE A 76 -3.634 1.347 2.061 1.00 0.00 C ATOM 1086 CE2 PHE A 76 -3.976 3.693 2.375 1.00 0.00 C ATOM 1087 CZ PHE A 76 -3.794 2.613 1.533 1.00 0.00 C ATOM 0 H PHE A 76 -5.882 0.197 4.806 1.00 0.00 H new ATOM 0 HA PHE A 76 -5.138 1.401 7.381 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.640 2.983 6.265 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.066 1.341 6.050 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.528 0.171 3.838 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -4.137 4.349 4.399 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.493 0.501 1.404 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.102 4.684 1.965 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.777 2.759 0.463 1.00 0.00 H new ATOM 1097 N LYS A 77 -6.450 3.521 6.768 1.00 0.00 N ATOM 1098 CA LYS A 77 -7.483 4.528 6.553 1.00 0.00 C ATOM 1099 C LYS A 77 -6.955 5.671 5.691 1.00 0.00 C ATOM 1100 O LYS A 77 -5.779 6.027 5.767 1.00 0.00 O ATOM 1101 CB LYS A 77 -7.982 5.072 7.893 1.00 0.00 C ATOM 1102 CG LYS A 77 -9.087 4.235 8.514 1.00 0.00 C ATOM 1103 CD LYS A 77 -8.641 2.799 8.737 1.00 0.00 C ATOM 1104 CE LYS A 77 -9.206 2.235 10.031 1.00 0.00 C ATOM 1105 NZ LYS A 77 -10.657 2.532 10.181 1.00 0.00 N ATOM 0 H LYS A 77 -5.858 3.692 7.581 1.00 0.00 H new ATOM 0 HA LYS A 77 -8.314 4.055 6.030 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.144 5.127 8.588 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -8.345 6.090 7.750 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -9.388 4.675 9.465 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.963 4.248 7.865 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.964 2.182 7.898 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -7.552 2.755 8.764 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -9.052 1.156 10.054 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -8.661 2.653 10.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -11.098 1.811 10.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -10.776 3.469 10.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -11.112 2.523 9.246 1.00 0.00 H new ATOM 1119 N CYS A 78 -7.833 6.242 4.874 1.00 0.00 N ATOM 1120 CA CYS A 78 -7.456 7.346 3.998 1.00 0.00 C ATOM 1121 C CYS A 78 -8.670 7.882 3.247 1.00 0.00 C ATOM 1122 O CYS A 78 -9.799 7.454 3.483 1.00 0.00 O ATOM 1123 CB CYS A 78 -6.386 6.891 3.003 1.00 0.00 C ATOM 1124 SG CYS A 78 -6.929 5.580 1.882 1.00 0.00 S ATOM 0 H CYS A 78 -8.810 5.959 4.800 1.00 0.00 H new ATOM 0 HA CYS A 78 -7.051 8.147 4.616 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -6.066 7.749 2.413 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -5.515 6.542 3.557 1.00 0.00 H new ATOM 0 HG CYS A 78 -6.016 4.656 1.820 1.00 0.00 H new ATOM 1130 N ALA A 79 -8.429 8.824 2.340 1.00 0.00 N ATOM 1131 CA ALA A 79 -9.503 9.421 1.554 1.00 0.00 C ATOM 1132 C ALA A 79 -9.865 8.539 0.362 1.00 0.00 C ATOM 1133 O ALA A 79 -9.119 7.627 0.004 1.00 0.00 O ATOM 1134 CB ALA A 79 -9.100 10.811 1.084 1.00 0.00 C ATOM 0 H ALA A 79 -7.500 9.190 2.131 1.00 0.00 H new ATOM 0 HA ALA A 79 -10.384 9.506 2.190 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.910 11.246 0.498 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.897 11.443 1.949 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.204 10.741 0.468 1.00 0.00 H new ATOM 1140 N PRO A 80 -11.022 8.799 -0.272 1.00 0.00 N ATOM 1141 CA PRO A 80 -11.480 8.024 -1.429 1.00 0.00 C ATOM 1142 C PRO A 80 -10.643 8.295 -2.675 1.00 0.00 C ATOM 1143 O PRO A 80 -10.293 9.439 -2.963 1.00 0.00 O ATOM 1144 CB PRO A 80 -12.916 8.507 -1.634 1.00 0.00 C ATOM 1145 CG PRO A 80 -12.938 9.883 -1.064 1.00 0.00 C ATOM 1146 CD PRO A 80 -11.971 9.870 0.089 1.00 0.00 C ATOM 0 HA PRO A 80 -11.398 6.950 -1.259 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -13.185 8.512 -2.690 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -13.629 7.857 -1.126 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -12.644 10.620 -1.812 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -13.940 10.151 -0.730 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -11.468 10.831 0.203 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -12.474 9.660 1.033 1.00 0.00 H new ATOM 1154 N LYS A 81 -10.326 7.234 -3.410 1.00 0.00 N ATOM 1155 CA LYS A 81 -9.529 7.356 -4.627 1.00 0.00 C ATOM 1156 C LYS A 81 -8.138 7.897 -4.314 1.00 0.00 C ATOM 1157 O LYS A 81 -7.535 8.597 -5.128 1.00 0.00 O ATOM 1158 CB LYS A 81 -10.232 8.272 -5.631 1.00 0.00 C ATOM 1159 CG LYS A 81 -11.653 7.842 -5.955 1.00 0.00 C ATOM 1160 CD LYS A 81 -12.417 8.942 -6.677 1.00 0.00 C ATOM 1161 CE LYS A 81 -13.752 8.440 -7.202 1.00 0.00 C ATOM 1162 NZ LYS A 81 -14.189 9.189 -8.414 1.00 0.00 N ATOM 0 H LYS A 81 -10.608 6.280 -3.185 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.423 6.363 -5.064 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.250 9.287 -5.234 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.651 8.301 -6.553 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.631 6.946 -6.575 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.174 7.580 -5.034 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -12.583 9.778 -5.997 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -11.818 9.319 -7.505 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -13.673 7.379 -7.440 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -14.508 8.537 -6.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -15.103 8.817 -8.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -14.289 10.198 -8.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.480 9.076 -9.166 1.00 0.00 H new ATOM 1176 N TYR A 82 -7.633 7.568 -3.129 1.00 0.00 N ATOM 1177 CA TYR A 82 -6.311 8.020 -2.708 1.00 0.00 C ATOM 1178 C TYR A 82 -5.424 6.834 -2.340 1.00 0.00 C ATOM 1179 O TYR A 82 -4.257 6.776 -2.727 1.00 0.00 O ATOM 1180 CB TYR A 82 -6.431 8.972 -1.516 1.00 0.00 C ATOM 1181 CG TYR A 82 -6.407 10.435 -1.903 1.00 0.00 C ATOM 1182 CD1 TYR A 82 -7.578 11.107 -2.227 1.00 0.00 C ATOM 1183 CD2 TYR A 82 -5.212 11.143 -1.942 1.00 0.00 C ATOM 1184 CE1 TYR A 82 -7.561 12.443 -2.579 1.00 0.00 C ATOM 1185 CE2 TYR A 82 -5.186 12.480 -2.291 1.00 0.00 C ATOM 1186 CZ TYR A 82 -6.363 13.124 -2.609 1.00 0.00 C ATOM 1187 OH TYR A 82 -6.340 14.456 -2.958 1.00 0.00 O ATOM 0 H TYR A 82 -8.119 6.990 -2.443 1.00 0.00 H new ATOM 0 HA TYR A 82 -5.851 8.550 -3.542 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -7.359 8.761 -0.985 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -5.615 8.775 -0.821 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -8.518 10.576 -2.203 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -4.288 10.640 -1.696 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -8.481 12.951 -2.829 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -4.249 13.017 -2.315 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.478 14.846 -2.703 1.00 0.00 H new ATOM 1197 N GLY A 83 -5.986 5.893 -1.588 1.00 0.00 N ATOM 1198 CA GLY A 83 -5.231 4.723 -1.179 1.00 0.00 C ATOM 1199 C GLY A 83 -5.008 3.747 -2.318 1.00 0.00 C ATOM 1200 O GLY A 83 -5.935 3.426 -3.060 1.00 0.00 O ATOM 0 H GLY A 83 -6.950 5.920 -1.255 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.266 5.038 -0.781 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.760 4.218 -0.371 1.00 0.00 H new ATOM 1204 N ILE A 84 -3.773 3.276 -2.455 1.00 0.00 N ATOM 1205 CA ILE A 84 -3.428 2.332 -3.512 1.00 0.00 C ATOM 1206 C ILE A 84 -2.462 1.268 -3.000 1.00 0.00 C ATOM 1207 O ILE A 84 -1.769 1.471 -2.003 1.00 0.00 O ATOM 1208 CB ILE A 84 -2.800 3.049 -4.724 1.00 0.00 C ATOM 1209 CG1 ILE A 84 -2.539 2.055 -5.858 1.00 0.00 C ATOM 1210 CG2 ILE A 84 -1.511 3.751 -4.319 1.00 0.00 C ATOM 1211 CD1 ILE A 84 -2.328 2.717 -7.203 1.00 0.00 C ATOM 0 H ILE A 84 -2.995 3.532 -1.848 1.00 0.00 H new ATOM 0 HA ILE A 84 -4.355 1.854 -3.828 1.00 0.00 H new ATOM 0 HB ILE A 84 -3.502 3.802 -5.082 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.660 1.459 -5.613 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.381 1.367 -5.929 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.081 4.252 -5.187 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.726 4.487 -3.544 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.802 3.017 -3.936 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.148 1.954 -7.960 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.216 3.291 -7.469 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.468 3.384 -7.149 1.00 0.00 H new ATOM 1223 N PHE A 85 -2.422 0.131 -3.687 1.00 0.00 N ATOM 1224 CA PHE A 85 -1.542 -0.966 -3.301 1.00 0.00 C ATOM 1225 C PHE A 85 -0.552 -1.290 -4.416 1.00 0.00 C ATOM 1226 O PHE A 85 -0.925 -1.377 -5.586 1.00 0.00 O ATOM 1227 CB PHE A 85 -2.363 -2.209 -2.956 1.00 0.00 C ATOM 1228 CG PHE A 85 -3.184 -2.058 -1.708 1.00 0.00 C ATOM 1229 CD1 PHE A 85 -2.640 -2.343 -0.465 1.00 0.00 C ATOM 1230 CD2 PHE A 85 -4.500 -1.629 -1.776 1.00 0.00 C ATOM 1231 CE1 PHE A 85 -3.393 -2.204 0.685 1.00 0.00 C ATOM 1232 CE2 PHE A 85 -5.258 -1.488 -0.628 1.00 0.00 C ATOM 1233 CZ PHE A 85 -4.703 -1.775 0.603 1.00 0.00 C ATOM 0 H PHE A 85 -2.989 -0.055 -4.514 1.00 0.00 H new ATOM 0 HA PHE A 85 -0.980 -0.654 -2.421 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -3.025 -2.441 -3.791 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -1.690 -3.058 -2.838 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -1.616 -2.678 -0.395 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -4.939 -1.402 -2.737 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -2.958 -2.431 1.647 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -6.283 -1.154 -0.694 1.00 0.00 H new ATOM 0 HZ PHE A 85 -5.293 -1.664 1.501 1.00 0.00 H new ATOM 1243 N ALA A 86 0.711 -1.471 -4.044 1.00 0.00 N ATOM 1244 CA ALA A 86 1.755 -1.787 -5.009 1.00 0.00 C ATOM 1245 C ALA A 86 2.742 -2.802 -4.437 1.00 0.00 C ATOM 1246 O ALA A 86 2.961 -2.852 -3.227 1.00 0.00 O ATOM 1247 CB ALA A 86 2.483 -0.522 -5.434 1.00 0.00 C ATOM 0 H ALA A 86 1.035 -1.404 -3.079 1.00 0.00 H new ATOM 0 HA ALA A 86 1.283 -2.231 -5.885 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.260 -0.774 -6.155 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.775 0.169 -5.891 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.937 -0.053 -4.561 1.00 0.00 H new ATOM 1253 N PRO A 87 3.354 -3.629 -5.302 1.00 0.00 N ATOM 1254 CA PRO A 87 4.320 -4.645 -4.872 1.00 0.00 C ATOM 1255 C PRO A 87 5.473 -4.048 -4.071 1.00 0.00 C ATOM 1256 O PRO A 87 6.202 -3.187 -4.561 1.00 0.00 O ATOM 1257 CB PRO A 87 4.836 -5.236 -6.189 1.00 0.00 C ATOM 1258 CG PRO A 87 3.765 -4.946 -7.184 1.00 0.00 C ATOM 1259 CD PRO A 87 3.151 -3.641 -6.762 1.00 0.00 C ATOM 0 HA PRO A 87 3.863 -5.381 -4.211 1.00 0.00 H new ATOM 0 HB2 PRO A 87 5.782 -4.781 -6.483 1.00 0.00 H new ATOM 0 HB3 PRO A 87 5.012 -6.308 -6.099 1.00 0.00 H new ATOM 0 HG2 PRO A 87 4.176 -4.876 -8.191 1.00 0.00 H new ATOM 0 HG3 PRO A 87 3.020 -5.741 -7.198 1.00 0.00 H new ATOM 0 HD2 PRO A 87 3.638 -2.793 -7.243 1.00 0.00 H new ATOM 0 HD3 PRO A 87 2.094 -3.591 -7.022 1.00 0.00 H new ATOM 1267 N LEU A 88 5.626 -4.511 -2.831 1.00 0.00 N ATOM 1268 CA LEU A 88 6.691 -4.023 -1.961 1.00 0.00 C ATOM 1269 C LEU A 88 8.019 -4.045 -2.700 1.00 0.00 C ATOM 1270 O LEU A 88 8.771 -3.071 -2.688 1.00 0.00 O ATOM 1271 CB LEU A 88 6.781 -4.874 -0.693 1.00 0.00 C ATOM 1272 CG LEU A 88 7.352 -4.156 0.530 1.00 0.00 C ATOM 1273 CD1 LEU A 88 6.379 -3.099 1.031 1.00 0.00 C ATOM 1274 CD2 LEU A 88 7.674 -5.154 1.632 1.00 0.00 C ATOM 0 H LEU A 88 5.027 -5.221 -2.409 1.00 0.00 H new ATOM 0 HA LEU A 88 6.461 -2.997 -1.674 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.784 -5.240 -0.448 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.398 -5.748 -0.903 1.00 0.00 H new ATOM 0 HG LEU A 88 8.277 -3.659 0.237 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.802 -2.598 1.902 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.199 -2.367 0.243 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.437 -3.573 1.307 1.00 0.00 H new ATOM 0 HD21 LEU A 88 8.079 -4.625 2.495 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.765 -5.680 1.923 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.409 -5.873 1.269 1.00 0.00 H new ATOM 1286 N SER A 89 8.284 -5.164 -3.363 1.00 0.00 N ATOM 1287 CA SER A 89 9.506 -5.319 -4.137 1.00 0.00 C ATOM 1288 C SER A 89 9.610 -4.201 -5.166 1.00 0.00 C ATOM 1289 O SER A 89 10.704 -3.841 -5.601 1.00 0.00 O ATOM 1290 CB SER A 89 9.529 -6.681 -4.834 1.00 0.00 C ATOM 1291 OG SER A 89 10.835 -7.234 -4.827 1.00 0.00 O ATOM 0 H SER A 89 7.668 -5.977 -3.379 1.00 0.00 H new ATOM 0 HA SER A 89 10.359 -5.263 -3.461 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.840 -7.361 -4.334 1.00 0.00 H new ATOM 0 HB3 SER A 89 9.181 -6.574 -5.861 1.00 0.00 H new ATOM 0 HG SER A 89 10.824 -8.105 -5.276 1.00 0.00 H new ATOM 1297 N LYS A 90 8.458 -3.642 -5.538 1.00 0.00 N ATOM 1298 CA LYS A 90 8.418 -2.550 -6.500 1.00 0.00 C ATOM 1299 C LYS A 90 8.444 -1.202 -5.783 1.00 0.00 C ATOM 1300 O LYS A 90 8.645 -0.161 -6.409 1.00 0.00 O ATOM 1301 CB LYS A 90 7.169 -2.653 -7.376 1.00 0.00 C ATOM 1302 CG LYS A 90 7.271 -3.711 -8.463 1.00 0.00 C ATOM 1303 CD LYS A 90 7.538 -3.091 -9.824 1.00 0.00 C ATOM 1304 CE LYS A 90 6.266 -2.994 -10.651 1.00 0.00 C ATOM 1305 NZ LYS A 90 6.048 -4.211 -11.481 1.00 0.00 N ATOM 0 H LYS A 90 7.545 -3.929 -5.187 1.00 0.00 H new ATOM 0 HA LYS A 90 9.300 -2.625 -7.136 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.310 -2.876 -6.744 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.980 -1.685 -7.840 1.00 0.00 H new ATOM 0 HG2 LYS A 90 8.071 -4.410 -8.218 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.346 -4.286 -8.500 1.00 0.00 H new ATOM 0 HD2 LYS A 90 7.966 -2.097 -9.695 1.00 0.00 H new ATOM 0 HD3 LYS A 90 8.276 -3.689 -10.359 1.00 0.00 H new ATOM 0 HE2 LYS A 90 5.413 -2.849 -9.989 1.00 0.00 H new ATOM 0 HE3 LYS A 90 6.320 -2.118 -11.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.171 -4.105 -12.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.850 -4.336 -12.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.971 -5.044 -10.863 1.00 0.00 H new ATOM 1319 N ILE A 91 8.240 -1.227 -4.465 1.00 0.00 N ATOM 1320 CA ILE A 91 8.243 -0.003 -3.671 1.00 0.00 C ATOM 1321 C ILE A 91 9.555 0.150 -2.908 1.00 0.00 C ATOM 1322 O ILE A 91 10.023 -0.790 -2.265 1.00 0.00 O ATOM 1323 CB ILE A 91 7.071 0.019 -2.671 1.00 0.00 C ATOM 1324 CG1 ILE A 91 5.754 -0.282 -3.386 1.00 0.00 C ATOM 1325 CG2 ILE A 91 7.002 1.366 -1.965 1.00 0.00 C ATOM 1326 CD1 ILE A 91 4.693 -0.864 -2.477 1.00 0.00 C ATOM 0 H ILE A 91 8.072 -2.078 -3.929 1.00 0.00 H new ATOM 0 HA ILE A 91 8.131 0.829 -4.366 1.00 0.00 H new ATOM 0 HB ILE A 91 7.239 -0.754 -1.921 1.00 0.00 H new ATOM 0 HG12 ILE A 91 5.374 0.637 -3.833 1.00 0.00 H new ATOM 0 HG13 ILE A 91 5.944 -0.979 -4.202 1.00 0.00 H new ATOM 0 HG21 ILE A 91 6.169 1.366 -1.262 1.00 0.00 H new ATOM 0 HG22 ILE A 91 7.933 1.542 -1.425 1.00 0.00 H new ATOM 0 HG23 ILE A 91 6.855 2.156 -2.702 1.00 0.00 H new ATOM 0 HD11 ILE A 91 3.786 -1.053 -3.051 1.00 0.00 H new ATOM 0 HD12 ILE A 91 5.053 -1.800 -2.050 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.475 -0.159 -1.675 1.00 0.00 H new ATOM 1338 N SER A 92 10.142 1.341 -2.982 1.00 0.00 N ATOM 1339 CA SER A 92 11.399 1.616 -2.297 1.00 0.00 C ATOM 1340 C SER A 92 11.338 2.950 -1.561 1.00 0.00 C ATOM 1341 O SER A 92 10.320 3.643 -1.594 1.00 0.00 O ATOM 1342 CB SER A 92 12.557 1.624 -3.296 1.00 0.00 C ATOM 1343 OG SER A 92 12.495 0.501 -4.158 1.00 0.00 O ATOM 0 H SER A 92 9.767 2.130 -3.509 1.00 0.00 H new ATOM 0 HA SER A 92 11.565 0.826 -1.565 1.00 0.00 H new ATOM 0 HB2 SER A 92 12.527 2.541 -3.885 1.00 0.00 H new ATOM 0 HB3 SER A 92 13.505 1.622 -2.758 1.00 0.00 H new ATOM 0 HG SER A 92 13.245 0.530 -4.788 1.00 0.00 H new ATOM 1349 N LYS A 93 12.434 3.306 -0.898 1.00 0.00 N ATOM 1350 CA LYS A 93 12.506 4.558 -0.155 1.00 0.00 C ATOM 1351 C LYS A 93 12.432 5.756 -1.096 1.00 0.00 C ATOM 1352 O LYS A 93 12.602 5.617 -2.308 1.00 0.00 O ATOM 1353 CB LYS A 93 13.797 4.616 0.664 1.00 0.00 C ATOM 1354 CG LYS A 93 13.630 5.285 2.019 1.00 0.00 C ATOM 1355 CD LYS A 93 14.218 6.686 2.028 1.00 0.00 C ATOM 1356 CE LYS A 93 13.750 7.479 3.237 1.00 0.00 C ATOM 1357 NZ LYS A 93 13.877 6.697 4.498 1.00 0.00 N ATOM 0 H LYS A 93 13.285 2.744 -0.861 1.00 0.00 H new ATOM 0 HA LYS A 93 11.652 4.599 0.522 1.00 0.00 H new ATOM 0 HB2 LYS A 93 14.169 3.602 0.812 1.00 0.00 H new ATOM 0 HB3 LYS A 93 14.555 5.153 0.094 1.00 0.00 H new ATOM 0 HG2 LYS A 93 12.571 5.333 2.274 1.00 0.00 H new ATOM 0 HG3 LYS A 93 14.115 4.681 2.786 1.00 0.00 H new ATOM 0 HD2 LYS A 93 15.306 6.625 2.031 1.00 0.00 H new ATOM 0 HD3 LYS A 93 13.930 7.208 1.116 1.00 0.00 H new ATOM 0 HE2 LYS A 93 14.334 8.396 3.318 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.710 7.775 3.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 13.761 7.332 5.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 13.143 5.961 4.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 14.816 6.251 4.537 1.00 0.00 H new ATOM 1371 N LEU A 94 12.175 6.931 -0.532 1.00 0.00 N ATOM 1372 CA LEU A 94 12.078 8.154 -1.321 1.00 0.00 C ATOM 1373 C LEU A 94 13.380 8.947 -1.258 1.00 0.00 C ATOM 1374 O LEU A 94 13.844 9.314 -0.179 1.00 0.00 O ATOM 1375 CB LEU A 94 10.918 9.016 -0.823 1.00 0.00 C ATOM 1376 CG LEU A 94 10.475 10.121 -1.783 1.00 0.00 C ATOM 1377 CD1 LEU A 94 9.787 9.527 -3.001 1.00 0.00 C ATOM 1378 CD2 LEU A 94 9.553 11.103 -1.074 1.00 0.00 C ATOM 0 H LEU A 94 12.030 7.063 0.469 1.00 0.00 H new ATOM 0 HA LEU A 94 11.894 7.874 -2.358 1.00 0.00 H new ATOM 0 HB2 LEU A 94 10.065 8.368 -0.620 1.00 0.00 H new ATOM 0 HB3 LEU A 94 11.205 9.472 0.125 1.00 0.00 H new ATOM 0 HG LEU A 94 11.360 10.660 -2.119 1.00 0.00 H new ATOM 0 HD11 LEU A 94 9.479 10.329 -3.672 1.00 0.00 H new ATOM 0 HD12 LEU A 94 10.478 8.863 -3.521 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.910 8.962 -2.684 1.00 0.00 H new ATOM 0 HD21 LEU A 94 9.247 11.883 -1.771 1.00 0.00 H new ATOM 0 HD22 LEU A 94 8.671 10.576 -0.709 1.00 0.00 H new ATOM 0 HD23 LEU A 94 10.080 11.554 -0.233 1.00 0.00 H new