USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 413 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 Set 1.1: A 30 SER OG : rot 118:sc= 0.793 USER MOD Set 1.2: A 72 THR OG1 : rot 73:sc= 0.186! USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -13.3! C(o=-13!,f=-17!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -16.1! C(o=-16!,f=-14!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 170:sc= 0.591 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 CYS SG : rot -4:sc= 0.00728 USER MOD Single : A 57 LYS NZ :NH3+ -170:sc= -1.83 (180deg=-1.9) USER MOD Single : A 58 SER OG : rot 163:sc= -2.74! USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.357 K(o=-0.36,f=-1) USER MOD Single : A 68 GLN : amide:sc= -5.94! C(o=-5.9!,f=-10!) USER MOD ----------------------------------------------------------------- ATOM 239 N TYR A 18 -0.525 -9.078 2.538 1.00 0.00 N ATOM 240 CA TYR A 18 0.083 -7.880 3.180 1.00 0.00 C ATOM 241 C TYR A 18 1.546 -7.759 2.757 1.00 0.00 C ATOM 242 O TYR A 18 2.338 -8.663 2.940 1.00 0.00 O ATOM 243 CB TYR A 18 -0.033 -8.114 4.684 1.00 0.00 C ATOM 244 CG TYR A 18 -1.485 -8.038 5.105 1.00 0.00 C ATOM 245 CD1 TYR A 18 -2.453 -7.513 4.233 1.00 0.00 C ATOM 246 CD2 TYR A 18 -1.864 -8.496 6.372 1.00 0.00 C ATOM 247 CE1 TYR A 18 -3.792 -7.449 4.634 1.00 0.00 C ATOM 248 CE2 TYR A 18 -3.203 -8.431 6.770 1.00 0.00 C ATOM 249 CZ TYR A 18 -4.168 -7.908 5.902 1.00 0.00 C ATOM 250 OH TYR A 18 -5.489 -7.845 6.295 1.00 0.00 O ATOM 0 HA TYR A 18 -0.415 -6.955 2.888 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.379 -9.089 4.942 1.00 0.00 H new ATOM 0 HB3 TYR A 18 0.551 -7.368 5.223 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -2.164 -7.159 3.254 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.121 -8.900 7.044 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.537 -7.045 3.964 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.493 -8.785 7.748 1.00 0.00 H new ATOM 0 HH TYR A 18 -5.578 -8.205 7.202 1.00 0.00 H new ATOM 260 N GLN A 19 1.905 -6.648 2.180 1.00 0.00 N ATOM 261 CA GLN A 19 3.311 -6.459 1.727 1.00 0.00 C ATOM 262 C GLN A 19 4.287 -6.876 2.827 1.00 0.00 C ATOM 263 O GLN A 19 4.219 -6.411 3.947 1.00 0.00 O ATOM 264 CB GLN A 19 3.428 -4.963 1.415 1.00 0.00 C ATOM 265 CG GLN A 19 4.851 -4.471 1.669 1.00 0.00 C ATOM 266 CD GLN A 19 5.717 -4.771 0.448 1.00 0.00 C ATOM 267 OE1 GLN A 19 6.383 -3.898 -0.069 1.00 0.00 O ATOM 268 NE2 GLN A 19 5.736 -5.978 -0.037 1.00 0.00 N ATOM 0 H GLN A 19 1.283 -5.859 2.002 1.00 0.00 H new ATOM 0 HA GLN A 19 3.554 -7.070 0.858 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.154 -4.780 0.376 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.727 -4.401 2.033 1.00 0.00 H new ATOM 0 HG2 GLN A 19 4.847 -3.400 1.871 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.265 -4.960 2.551 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.176 -6.711 0.398 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.311 -6.191 -0.852 1.00 0.00 H new ATOM 277 N LYS A 20 5.206 -7.740 2.505 1.00 0.00 N ATOM 278 CA LYS A 20 6.207 -8.185 3.516 1.00 0.00 C ATOM 279 C LYS A 20 7.437 -7.281 3.438 1.00 0.00 C ATOM 280 O LYS A 20 7.989 -6.871 4.440 1.00 0.00 O ATOM 281 CB LYS A 20 6.564 -9.619 3.123 1.00 0.00 C ATOM 282 CG LYS A 20 6.612 -10.494 4.376 1.00 0.00 C ATOM 283 CD LYS A 20 7.365 -11.790 4.065 1.00 0.00 C ATOM 284 CE LYS A 20 6.365 -12.938 3.917 1.00 0.00 C ATOM 285 NZ LYS A 20 7.016 -13.897 2.982 1.00 0.00 N ATOM 0 H LYS A 20 5.309 -8.160 1.581 1.00 0.00 H new ATOM 0 HA LYS A 20 5.828 -8.136 4.537 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.827 -10.010 2.422 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.528 -9.639 2.615 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.106 -9.959 5.187 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.601 -10.721 4.713 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.943 -11.676 3.148 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.074 -12.012 4.863 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.155 -13.405 4.879 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.413 -12.584 3.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.390 -14.713 2.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.197 -13.426 2.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.916 -14.222 3.389 1.00 0.00 H new ATOM 299 N ARG A 21 7.860 -6.957 2.247 1.00 0.00 N ATOM 300 CA ARG A 21 9.042 -6.065 2.086 1.00 0.00 C ATOM 301 C ARG A 21 8.623 -4.617 2.314 1.00 0.00 C ATOM 302 O ARG A 21 7.473 -4.266 2.148 1.00 0.00 O ATOM 303 CB ARG A 21 9.503 -6.272 0.643 1.00 0.00 C ATOM 304 CG ARG A 21 9.674 -7.768 0.372 1.00 0.00 C ATOM 305 CD ARG A 21 10.998 -8.007 -0.357 1.00 0.00 C ATOM 306 NE ARG A 21 11.707 -9.030 0.461 1.00 0.00 N ATOM 307 CZ ARG A 21 11.988 -8.784 1.712 1.00 0.00 C ATOM 308 NH1 ARG A 21 12.782 -7.795 2.020 1.00 0.00 N ATOM 309 NH2 ARG A 21 11.476 -9.527 2.654 1.00 0.00 N ATOM 0 H ARG A 21 7.436 -7.273 1.375 1.00 0.00 H new ATOM 0 HA ARG A 21 9.837 -6.288 2.797 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.774 -5.847 -0.047 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.445 -5.751 0.472 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.658 -8.322 1.310 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.843 -8.137 -0.230 1.00 0.00 H new ATOM 0 HD2 ARG A 21 10.831 -8.361 -1.374 1.00 0.00 H new ATOM 0 HD3 ARG A 21 11.580 -7.088 -0.431 1.00 0.00 H new ATOM 0 HE ARG A 21 11.973 -9.922 0.044 1.00 0.00 H new ATOM 0 HH11 ARG A 21 13.183 -7.214 1.283 1.00 0.00 H new ATOM 0 HH12 ARG A 21 13.002 -7.603 2.997 1.00 0.00 H new ATOM 0 HH21 ARG A 21 10.856 -10.300 2.413 1.00 0.00 H new ATOM 0 HH22 ARG A 21 11.696 -9.335 3.631 1.00 0.00 H new ATOM 323 N PRO A 22 9.576 -3.823 2.690 1.00 0.00 N ATOM 324 CA PRO A 22 9.313 -2.391 2.948 1.00 0.00 C ATOM 325 C PRO A 22 8.993 -1.656 1.653 1.00 0.00 C ATOM 326 O PRO A 22 9.627 -1.847 0.634 1.00 0.00 O ATOM 327 CB PRO A 22 10.608 -1.890 3.564 1.00 0.00 C ATOM 328 CG PRO A 22 11.657 -2.851 3.090 1.00 0.00 C ATOM 329 CD PRO A 22 10.979 -4.179 2.909 1.00 0.00 C ATOM 0 HA PRO A 22 8.453 -2.227 3.597 1.00 0.00 H new ATOM 0 HB2 PRO A 22 10.830 -0.872 3.243 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.548 -1.875 4.652 1.00 0.00 H new ATOM 0 HG2 PRO A 22 12.098 -2.511 2.153 1.00 0.00 H new ATOM 0 HG3 PRO A 22 12.468 -2.926 3.815 1.00 0.00 H new ATOM 0 HD2 PRO A 22 11.391 -4.727 2.061 1.00 0.00 H new ATOM 0 HD3 PRO A 22 11.099 -4.813 3.787 1.00 0.00 H new ATOM 337 N LEU A 23 7.999 -0.823 1.694 1.00 0.00 N ATOM 338 CA LEU A 23 7.601 -0.065 0.481 1.00 0.00 C ATOM 339 C LEU A 23 7.542 1.435 0.768 1.00 0.00 C ATOM 340 O LEU A 23 6.922 1.866 1.720 1.00 0.00 O ATOM 341 CB LEU A 23 6.222 -0.601 0.130 1.00 0.00 C ATOM 342 CG LEU A 23 6.329 -1.428 -1.139 1.00 0.00 C ATOM 343 CD1 LEU A 23 5.015 -2.176 -1.380 1.00 0.00 C ATOM 344 CD2 LEU A 23 6.616 -0.496 -2.319 1.00 0.00 C ATOM 0 H LEU A 23 7.438 -0.632 2.524 1.00 0.00 H new ATOM 0 HA LEU A 23 8.314 -0.190 -0.334 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.835 -1.210 0.946 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.522 0.222 -0.013 1.00 0.00 H new ATOM 0 HG LEU A 23 7.137 -2.153 -1.038 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.095 -2.768 -2.291 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.811 -2.835 -0.536 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.202 -1.458 -1.485 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.694 -1.082 -3.235 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.805 0.226 -2.418 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.553 0.033 -2.145 1.00 0.00 H new ATOM 356 N PRO A 24 8.198 2.176 -0.079 1.00 0.00 N ATOM 357 CA PRO A 24 8.237 3.647 0.061 1.00 0.00 C ATOM 358 C PRO A 24 6.967 4.277 -0.514 1.00 0.00 C ATOM 359 O PRO A 24 6.193 3.637 -1.197 1.00 0.00 O ATOM 360 CB PRO A 24 9.453 4.049 -0.766 1.00 0.00 C ATOM 361 CG PRO A 24 9.631 2.952 -1.775 1.00 0.00 C ATOM 362 CD PRO A 24 8.961 1.711 -1.237 1.00 0.00 C ATOM 0 HA PRO A 24 8.297 3.975 1.099 1.00 0.00 H new ATOM 0 HB2 PRO A 24 9.295 5.010 -1.255 1.00 0.00 H new ATOM 0 HB3 PRO A 24 10.338 4.152 -0.138 1.00 0.00 H new ATOM 0 HG2 PRO A 24 9.192 3.238 -2.731 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.690 2.766 -1.954 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.310 1.256 -1.984 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.694 0.957 -0.952 1.00 0.00 H new ATOM 370 N GLN A 25 6.754 5.530 -0.238 1.00 0.00 N ATOM 371 CA GLN A 25 5.545 6.225 -0.755 1.00 0.00 C ATOM 372 C GLN A 25 5.873 6.990 -2.040 1.00 0.00 C ATOM 373 O GLN A 25 5.109 6.992 -2.985 1.00 0.00 O ATOM 374 CB GLN A 25 5.157 7.196 0.358 1.00 0.00 C ATOM 375 CG GLN A 25 4.312 8.332 -0.226 1.00 0.00 C ATOM 376 CD GLN A 25 3.079 8.563 0.647 1.00 0.00 C ATOM 377 OE1 GLN A 25 3.043 8.154 1.791 1.00 0.00 O ATOM 378 NE2 GLN A 25 2.060 9.211 0.152 1.00 0.00 N ATOM 0 H GLN A 25 7.372 6.109 0.330 1.00 0.00 H new ATOM 0 HA GLN A 25 4.742 5.531 -1.001 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.596 6.673 1.132 1.00 0.00 H new ATOM 0 HB3 GLN A 25 6.052 7.600 0.831 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.904 9.245 -0.283 1.00 0.00 H new ATOM 0 HG3 GLN A 25 4.007 8.085 -1.243 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.091 9.554 -0.808 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.232 9.375 0.725 1.00 0.00 H new ATOM 387 N VAL A 26 7.003 7.643 -2.082 1.00 0.00 N ATOM 388 CA VAL A 26 7.377 8.411 -3.298 1.00 0.00 C ATOM 389 C VAL A 26 7.399 7.490 -4.521 1.00 0.00 C ATOM 390 O VAL A 26 7.432 7.941 -5.649 1.00 0.00 O ATOM 391 CB VAL A 26 8.769 8.951 -2.987 1.00 0.00 C ATOM 392 CG1 VAL A 26 9.570 9.082 -4.280 1.00 0.00 C ATOM 393 CG2 VAL A 26 8.645 10.325 -2.324 1.00 0.00 C ATOM 0 H VAL A 26 7.683 7.676 -1.323 1.00 0.00 H new ATOM 0 HA VAL A 26 6.672 9.209 -3.531 1.00 0.00 H new ATOM 0 HB VAL A 26 9.281 8.264 -2.313 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.564 9.468 -4.055 1.00 0.00 H new ATOM 0 HG12 VAL A 26 9.659 8.104 -4.753 1.00 0.00 H new ATOM 0 HG13 VAL A 26 9.059 9.767 -4.956 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.639 10.712 -2.101 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.132 11.010 -2.999 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.076 10.233 -1.399 1.00 0.00 H new ATOM 403 N LEU A 27 7.379 6.204 -4.308 1.00 0.00 N ATOM 404 CA LEU A 27 7.397 5.259 -5.460 1.00 0.00 C ATOM 405 C LEU A 27 5.971 4.839 -5.825 1.00 0.00 C ATOM 406 O LEU A 27 5.699 4.444 -6.942 1.00 0.00 O ATOM 407 CB LEU A 27 8.203 4.055 -4.970 1.00 0.00 C ATOM 408 CG LEU A 27 9.083 3.533 -6.107 1.00 0.00 C ATOM 409 CD1 LEU A 27 10.554 3.629 -5.698 1.00 0.00 C ATOM 410 CD2 LEU A 27 8.729 2.072 -6.394 1.00 0.00 C ATOM 0 H LEU A 27 7.351 5.766 -3.387 1.00 0.00 H new ATOM 0 HA LEU A 27 7.833 5.706 -6.354 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.821 4.340 -4.119 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.530 3.269 -4.626 1.00 0.00 H new ATOM 0 HG LEU A 27 8.915 4.132 -7.002 1.00 0.00 H new ATOM 0 HD11 LEU A 27 11.182 3.257 -6.508 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.807 4.669 -5.491 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.723 3.029 -4.803 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.355 1.698 -7.204 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.899 1.474 -5.499 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.681 2.002 -6.684 1.00 0.00 H new ATOM 422 N LEU A 28 5.059 4.913 -4.893 1.00 0.00 N ATOM 423 CA LEU A 28 3.659 4.511 -5.193 1.00 0.00 C ATOM 424 C LEU A 28 2.780 5.741 -5.431 1.00 0.00 C ATOM 425 O LEU A 28 3.173 6.857 -5.157 1.00 0.00 O ATOM 426 CB LEU A 28 3.195 3.767 -3.945 1.00 0.00 C ATOM 427 CG LEU A 28 4.194 2.660 -3.606 1.00 0.00 C ATOM 428 CD1 LEU A 28 3.990 2.213 -2.158 1.00 0.00 C ATOM 429 CD2 LEU A 28 3.973 1.469 -4.542 1.00 0.00 C ATOM 0 H LEU A 28 5.225 5.234 -3.939 1.00 0.00 H new ATOM 0 HA LEU A 28 3.594 3.900 -6.093 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.107 4.460 -3.108 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.206 3.340 -4.111 1.00 0.00 H new ATOM 0 HG LEU A 28 5.209 3.038 -3.730 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.702 1.424 -1.917 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.147 3.060 -1.490 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.975 1.836 -2.033 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.685 0.680 -4.301 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.958 1.092 -4.418 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.119 1.786 -5.575 1.00 0.00 H new ATOM 441 N SER A 29 1.593 5.547 -5.942 1.00 0.00 N ATOM 442 CA SER A 29 0.698 6.712 -6.194 1.00 0.00 C ATOM 443 C SER A 29 -0.306 6.890 -5.050 1.00 0.00 C ATOM 444 O SER A 29 -0.217 7.820 -4.273 1.00 0.00 O ATOM 445 CB SER A 29 -0.030 6.388 -7.496 1.00 0.00 C ATOM 446 OG SER A 29 -0.898 7.463 -7.827 1.00 0.00 O ATOM 0 H SER A 29 1.207 4.637 -6.194 1.00 0.00 H new ATOM 0 HA SER A 29 1.262 7.643 -6.260 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.690 6.226 -8.298 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.600 5.465 -7.388 1.00 0.00 H new ATOM 0 HG SER A 29 -1.366 7.260 -8.664 1.00 0.00 H new ATOM 452 N SER A 30 -1.268 6.016 -4.949 1.00 0.00 N ATOM 453 CA SER A 30 -2.286 6.150 -3.863 1.00 0.00 C ATOM 454 C SER A 30 -2.648 4.780 -3.279 1.00 0.00 C ATOM 455 O SER A 30 -1.913 3.824 -3.407 1.00 0.00 O ATOM 456 CB SER A 30 -3.503 6.776 -4.542 1.00 0.00 C ATOM 457 OG SER A 30 -3.884 5.978 -5.653 1.00 0.00 O ATOM 0 H SER A 30 -1.396 5.216 -5.568 1.00 0.00 H new ATOM 0 HA SER A 30 -1.917 6.753 -3.033 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.329 6.853 -3.835 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.269 7.789 -4.870 1.00 0.00 H new ATOM 0 HG SER A 30 -4.787 5.626 -5.509 1.00 0.00 H new ATOM 463 N TRP A 31 -3.781 4.688 -2.632 1.00 0.00 N ATOM 464 CA TRP A 31 -4.203 3.389 -2.031 1.00 0.00 C ATOM 465 C TRP A 31 -5.714 3.382 -1.808 1.00 0.00 C ATOM 466 O TRP A 31 -6.353 4.414 -1.787 1.00 0.00 O ATOM 467 CB TRP A 31 -3.486 3.321 -0.684 1.00 0.00 C ATOM 468 CG TRP A 31 -4.037 4.379 0.210 1.00 0.00 C ATOM 469 CD1 TRP A 31 -3.846 5.700 0.034 1.00 0.00 C ATOM 470 CD2 TRP A 31 -4.863 4.238 1.403 1.00 0.00 C ATOM 471 NE1 TRP A 31 -4.492 6.388 1.044 1.00 0.00 N ATOM 472 CE2 TRP A 31 -5.136 5.529 1.913 1.00 0.00 C ATOM 473 CE3 TRP A 31 -5.394 3.129 2.086 1.00 0.00 C ATOM 474 CZ2 TRP A 31 -5.909 5.715 3.059 1.00 0.00 C ATOM 475 CZ3 TRP A 31 -6.173 3.312 3.240 1.00 0.00 C ATOM 476 CH2 TRP A 31 -6.430 4.602 3.725 1.00 0.00 C ATOM 0 H TRP A 31 -4.434 5.460 -2.494 1.00 0.00 H new ATOM 0 HA TRP A 31 -3.959 2.544 -2.674 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -3.623 2.338 -0.233 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -2.414 3.463 -0.820 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -3.279 6.150 -0.768 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -4.493 7.404 1.136 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -5.202 2.131 1.721 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -6.103 6.711 3.429 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -6.577 2.454 3.757 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -7.030 4.736 4.613 1.00 0.00 H new ATOM 487 N TYR A 32 -6.288 2.229 -1.622 1.00 0.00 N ATOM 488 CA TYR A 32 -7.758 2.167 -1.378 1.00 0.00 C ATOM 489 C TYR A 32 -8.101 0.935 -0.534 1.00 0.00 C ATOM 490 O TYR A 32 -7.568 -0.135 -0.743 1.00 0.00 O ATOM 491 CB TYR A 32 -8.403 2.116 -2.768 1.00 0.00 C ATOM 492 CG TYR A 32 -8.391 0.710 -3.314 1.00 0.00 C ATOM 493 CD1 TYR A 32 -9.178 -0.279 -2.717 1.00 0.00 C ATOM 494 CD2 TYR A 32 -7.604 0.400 -4.429 1.00 0.00 C ATOM 495 CE1 TYR A 32 -9.177 -1.580 -3.232 1.00 0.00 C ATOM 496 CE2 TYR A 32 -7.602 -0.900 -4.945 1.00 0.00 C ATOM 497 CZ TYR A 32 -8.390 -1.891 -4.347 1.00 0.00 C ATOM 498 OH TYR A 32 -8.390 -3.175 -4.854 1.00 0.00 O ATOM 0 H TYR A 32 -5.808 1.329 -1.628 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.126 3.026 -0.817 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -9.429 2.480 -2.711 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.867 2.779 -3.447 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -9.787 -0.039 -1.858 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -6.998 1.165 -4.891 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -9.784 -2.344 -2.769 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -6.993 -1.139 -5.804 1.00 0.00 H new ATOM 0 HH TYR A 32 -7.791 -3.221 -5.629 1.00 0.00 H new ATOM 508 N PRO A 33 -8.977 1.147 0.410 1.00 0.00 N ATOM 509 CA PRO A 33 -9.402 0.060 1.330 1.00 0.00 C ATOM 510 C PRO A 33 -10.222 -0.999 0.587 1.00 0.00 C ATOM 511 O PRO A 33 -10.891 -0.713 -0.384 1.00 0.00 O ATOM 512 CB PRO A 33 -10.250 0.785 2.369 1.00 0.00 C ATOM 513 CG PRO A 33 -10.736 2.007 1.670 1.00 0.00 C ATOM 514 CD PRO A 33 -9.654 2.410 0.708 1.00 0.00 C ATOM 0 HA PRO A 33 -8.562 -0.477 1.771 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -11.080 0.164 2.706 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -9.663 1.040 3.252 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.669 1.807 1.142 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -10.938 2.806 2.383 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.066 2.867 -0.192 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -8.973 3.136 1.151 1.00 0.00 H new ATOM 522 N THR A 34 -10.173 -2.223 1.038 1.00 0.00 N ATOM 523 CA THR A 34 -10.946 -3.301 0.353 1.00 0.00 C ATOM 524 C THR A 34 -12.119 -3.749 1.229 1.00 0.00 C ATOM 525 O THR A 34 -12.536 -3.050 2.130 1.00 0.00 O ATOM 526 CB THR A 34 -9.956 -4.459 0.152 1.00 0.00 C ATOM 527 OG1 THR A 34 -10.317 -5.540 0.999 1.00 0.00 O ATOM 528 CG2 THR A 34 -8.531 -4.005 0.487 1.00 0.00 C ATOM 0 H THR A 34 -9.633 -2.524 1.849 1.00 0.00 H new ATOM 0 HA THR A 34 -11.363 -2.960 -0.595 1.00 0.00 H new ATOM 0 HB THR A 34 -9.990 -4.777 -0.890 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.688 -6.280 0.871 1.00 0.00 H new ATOM 0 HG21 THR A 34 -7.841 -4.836 0.340 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.249 -3.179 -0.166 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.488 -3.677 1.526 1.00 0.00 H new ATOM 640 N GLY A 42 -8.095 -5.451 3.895 1.00 0.00 N ATOM 641 CA GLY A 42 -7.063 -4.537 4.460 1.00 0.00 C ATOM 642 C GLY A 42 -6.891 -3.325 3.545 1.00 0.00 C ATOM 643 O GLY A 42 -7.852 -2.748 3.077 1.00 0.00 O ATOM 0 HA2 GLY A 42 -7.358 -4.212 5.458 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.114 -5.064 4.564 1.00 0.00 H new ATOM 647 N VAL A 43 -5.672 -2.931 3.288 1.00 0.00 N ATOM 648 CA VAL A 43 -5.446 -1.753 2.402 1.00 0.00 C ATOM 649 C VAL A 43 -4.579 -2.145 1.206 1.00 0.00 C ATOM 650 O VAL A 43 -3.619 -2.878 1.333 1.00 0.00 O ATOM 651 CB VAL A 43 -4.722 -0.725 3.274 1.00 0.00 C ATOM 652 CG1 VAL A 43 -3.792 0.129 2.408 1.00 0.00 C ATOM 653 CG2 VAL A 43 -5.751 0.188 3.940 1.00 0.00 C ATOM 0 H VAL A 43 -4.827 -3.372 3.651 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.380 -1.359 2.001 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.138 -1.248 4.032 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.280 0.859 3.035 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.056 -0.512 1.922 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.377 0.649 1.650 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.238 0.922 4.562 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.330 0.703 3.174 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.420 -0.409 4.560 1.00 0.00 H new ATOM 663 N ILE A 44 -4.900 -1.640 0.052 1.00 0.00 N ATOM 664 CA ILE A 44 -4.086 -1.957 -1.151 1.00 0.00 C ATOM 665 C ILE A 44 -3.504 -0.659 -1.709 1.00 0.00 C ATOM 666 O ILE A 44 -4.168 0.358 -1.756 1.00 0.00 O ATOM 667 CB ILE A 44 -5.048 -2.626 -2.146 1.00 0.00 C ATOM 668 CG1 ILE A 44 -4.571 -2.382 -3.585 1.00 0.00 C ATOM 669 CG2 ILE A 44 -6.463 -2.070 -1.973 1.00 0.00 C ATOM 670 CD1 ILE A 44 -4.924 -0.957 -4.025 1.00 0.00 C ATOM 0 H ILE A 44 -5.693 -1.020 -0.112 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.248 -2.620 -0.936 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.061 -3.698 -1.948 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.494 -2.534 -3.649 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.035 -3.104 -4.257 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.133 -2.553 -2.684 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.809 -2.265 -0.958 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.456 -0.995 -2.153 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.581 -0.796 -5.047 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.004 -0.819 -3.979 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.438 -0.241 -3.362 1.00 0.00 H new ATOM 682 N PHE A 45 -2.267 -0.675 -2.111 1.00 0.00 N ATOM 683 CA PHE A 45 -1.647 0.565 -2.638 1.00 0.00 C ATOM 684 C PHE A 45 -1.440 0.460 -4.149 1.00 0.00 C ATOM 685 O PHE A 45 -1.094 -0.583 -4.668 1.00 0.00 O ATOM 686 CB PHE A 45 -0.286 0.642 -1.948 1.00 0.00 C ATOM 687 CG PHE A 45 -0.449 0.970 -0.483 1.00 0.00 C ATOM 688 CD1 PHE A 45 -0.609 2.300 -0.078 1.00 0.00 C ATOM 689 CD2 PHE A 45 -0.422 -0.054 0.471 1.00 0.00 C ATOM 690 CE1 PHE A 45 -0.743 2.605 1.281 1.00 0.00 C ATOM 691 CE2 PHE A 45 -0.559 0.251 1.830 1.00 0.00 C ATOM 692 CZ PHE A 45 -0.718 1.581 2.235 1.00 0.00 C ATOM 0 H PHE A 45 -1.659 -1.494 -2.097 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.270 1.440 -2.452 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.237 -0.308 -2.057 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.329 1.402 -2.430 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.629 3.090 -0.814 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.295 -1.080 0.158 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.866 3.631 1.594 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.542 -0.540 2.566 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.821 1.817 3.284 1.00 0.00 H new ATOM 702 N LEU A 46 -1.623 1.538 -4.854 1.00 0.00 N ATOM 703 CA LEU A 46 -1.412 1.510 -6.324 1.00 0.00 C ATOM 704 C LEU A 46 -0.156 2.310 -6.662 1.00 0.00 C ATOM 705 O LEU A 46 -0.039 3.473 -6.325 1.00 0.00 O ATOM 706 CB LEU A 46 -2.645 2.177 -6.927 1.00 0.00 C ATOM 707 CG LEU A 46 -3.471 1.137 -7.682 1.00 0.00 C ATOM 708 CD1 LEU A 46 -2.550 0.307 -8.576 1.00 0.00 C ATOM 709 CD2 LEU A 46 -4.171 0.218 -6.679 1.00 0.00 C ATOM 0 H LEU A 46 -1.910 2.440 -4.474 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.280 0.499 -6.709 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.246 2.633 -6.140 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.344 2.978 -7.602 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.217 1.641 -8.297 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.138 -0.435 -9.115 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.049 0.961 -9.290 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.804 -0.198 -7.962 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.761 -0.525 -7.216 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.425 -0.286 -6.065 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.827 0.809 -6.040 1.00 0.00 H new ATOM 721 N THR A 47 0.789 1.696 -7.312 1.00 0.00 N ATOM 722 CA THR A 47 2.042 2.421 -7.657 1.00 0.00 C ATOM 723 C THR A 47 1.726 3.651 -8.500 1.00 0.00 C ATOM 724 O THR A 47 0.640 4.188 -8.445 1.00 0.00 O ATOM 725 CB THR A 47 2.881 1.423 -8.462 1.00 0.00 C ATOM 726 OG1 THR A 47 2.328 1.284 -9.767 1.00 0.00 O ATOM 727 CG2 THR A 47 2.881 0.066 -7.757 1.00 0.00 C ATOM 0 H THR A 47 0.749 0.724 -7.620 1.00 0.00 H new ATOM 0 HA THR A 47 2.569 2.769 -6.768 1.00 0.00 H new ATOM 0 HB THR A 47 3.905 1.788 -8.539 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.947 0.776 -10.332 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.478 -0.642 -8.331 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.306 0.174 -6.759 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.858 -0.303 -7.677 1.00 0.00 H new ATOM 735 N LYS A 48 2.667 4.091 -9.287 1.00 0.00 N ATOM 736 CA LYS A 48 2.432 5.274 -10.157 1.00 0.00 C ATOM 737 C LYS A 48 2.489 4.825 -11.616 1.00 0.00 C ATOM 738 O LYS A 48 2.399 5.617 -12.533 1.00 0.00 O ATOM 739 CB LYS A 48 3.577 6.239 -9.843 1.00 0.00 C ATOM 740 CG LYS A 48 3.171 7.159 -8.690 1.00 0.00 C ATOM 741 CD LYS A 48 2.457 8.393 -9.249 1.00 0.00 C ATOM 742 CE LYS A 48 2.919 9.639 -8.489 1.00 0.00 C ATOM 743 NZ LYS A 48 4.110 10.125 -9.239 1.00 0.00 N ATOM 0 H LYS A 48 3.596 3.678 -9.365 1.00 0.00 H new ATOM 0 HA LYS A 48 1.464 5.745 -9.988 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.474 5.680 -9.577 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.820 6.831 -10.726 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.515 6.628 -8.000 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.052 7.461 -8.124 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.674 8.501 -10.312 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.377 8.276 -9.154 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.135 10.396 -8.458 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.173 9.400 -7.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.485 10.979 -8.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.841 9.386 -9.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.836 10.350 -10.217 1.00 0.00 H new ATOM 757 N ARG A 49 2.644 3.546 -11.825 1.00 0.00 N ATOM 758 CA ARG A 49 2.716 3.003 -13.208 1.00 0.00 C ATOM 759 C ARG A 49 1.459 2.193 -13.527 1.00 0.00 C ATOM 760 O ARG A 49 0.600 2.625 -14.269 1.00 0.00 O ATOM 761 CB ARG A 49 3.949 2.100 -13.199 1.00 0.00 C ATOM 762 CG ARG A 49 5.180 2.911 -13.610 1.00 0.00 C ATOM 763 CD ARG A 49 6.303 2.687 -12.595 1.00 0.00 C ATOM 764 NE ARG A 49 6.420 1.208 -12.470 1.00 0.00 N ATOM 765 CZ ARG A 49 6.944 0.683 -11.396 1.00 0.00 C ATOM 766 NH1 ARG A 49 7.522 1.447 -10.510 1.00 0.00 N ATOM 767 NH2 ARG A 49 6.889 -0.608 -11.209 1.00 0.00 N ATOM 0 H ARG A 49 2.725 2.847 -11.086 1.00 0.00 H new ATOM 0 HA ARG A 49 2.782 3.787 -13.962 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.095 1.676 -12.205 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.806 1.264 -13.884 1.00 0.00 H new ATOM 0 HG2 ARG A 49 5.510 2.612 -14.605 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.929 3.970 -13.663 1.00 0.00 H new ATOM 0 HD2 ARG A 49 7.239 3.129 -12.937 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.065 3.147 -11.636 1.00 0.00 H new ATOM 0 HE ARG A 49 6.091 0.605 -13.224 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.565 2.456 -10.656 1.00 0.00 H new ATOM 0 HH12 ARG A 49 7.931 1.036 -9.671 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.437 -1.205 -11.902 1.00 0.00 H new ATOM 0 HH22 ARG A 49 7.298 -1.020 -10.370 1.00 0.00 H new ATOM 781 N GLY A 50 1.349 1.019 -12.971 1.00 0.00 N ATOM 782 CA GLY A 50 0.149 0.176 -13.239 1.00 0.00 C ATOM 783 C GLY A 50 0.194 -1.080 -12.366 1.00 0.00 C ATOM 784 O GLY A 50 -0.298 -2.125 -12.743 1.00 0.00 O ATOM 0 H GLY A 50 2.038 0.606 -12.342 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -0.759 0.742 -13.031 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.117 -0.103 -14.292 1.00 0.00 H new ATOM 788 N ARG A 51 0.777 -0.988 -11.201 1.00 0.00 N ATOM 789 CA ARG A 51 0.846 -2.182 -10.308 1.00 0.00 C ATOM 790 C ARG A 51 0.130 -1.895 -8.988 1.00 0.00 C ATOM 791 O ARG A 51 0.043 -0.766 -8.549 1.00 0.00 O ATOM 792 CB ARG A 51 2.336 -2.422 -10.069 1.00 0.00 C ATOM 793 CG ARG A 51 2.517 -3.357 -8.873 1.00 0.00 C ATOM 794 CD ARG A 51 4.006 -3.646 -8.668 1.00 0.00 C ATOM 795 NE ARG A 51 4.412 -2.777 -7.529 1.00 0.00 N ATOM 796 CZ ARG A 51 5.671 -2.675 -7.202 1.00 0.00 C ATOM 797 NH1 ARG A 51 6.440 -3.730 -7.227 1.00 0.00 N ATOM 798 NH2 ARG A 51 6.161 -1.518 -6.850 1.00 0.00 N ATOM 0 H ARG A 51 1.207 -0.141 -10.829 1.00 0.00 H new ATOM 0 HA ARG A 51 0.363 -3.053 -10.750 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.792 -2.859 -10.958 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.843 -1.475 -9.884 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.098 -2.902 -7.976 1.00 0.00 H new ATOM 0 HG3 ARG A 51 1.975 -4.288 -9.041 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.177 -4.699 -8.442 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.580 -3.415 -9.565 1.00 0.00 H new ATOM 0 HE ARG A 51 3.706 -2.261 -7.004 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.057 -4.634 -7.502 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.424 -3.650 -6.971 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.560 -0.694 -6.831 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.145 -1.437 -6.594 1.00 0.00 H new ATOM 812 N GLN A 52 -0.393 -2.909 -8.356 1.00 0.00 N ATOM 813 CA GLN A 52 -1.111 -2.700 -7.072 1.00 0.00 C ATOM 814 C GLN A 52 -0.346 -3.348 -5.915 1.00 0.00 C ATOM 815 O GLN A 52 0.542 -4.155 -6.113 1.00 0.00 O ATOM 816 CB GLN A 52 -2.453 -3.394 -7.269 1.00 0.00 C ATOM 817 CG GLN A 52 -3.072 -2.959 -8.599 1.00 0.00 C ATOM 818 CD GLN A 52 -3.646 -4.182 -9.319 1.00 0.00 C ATOM 819 OE1 GLN A 52 -4.542 -4.831 -8.816 1.00 0.00 O ATOM 820 NE2 GLN A 52 -3.165 -4.524 -10.482 1.00 0.00 N ATOM 0 H GLN A 52 -0.353 -3.876 -8.677 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.217 -1.643 -6.826 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.319 -4.476 -7.257 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.125 -3.147 -6.447 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.858 -2.225 -8.424 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.319 -2.477 -9.222 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -2.413 -3.979 -10.903 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.541 -5.337 -10.970 1.00 0.00 H new ATOM 829 N VAL A 53 -0.691 -2.999 -4.707 1.00 0.00 N ATOM 830 CA VAL A 53 -0.004 -3.580 -3.523 1.00 0.00 C ATOM 831 C VAL A 53 -1.019 -3.782 -2.391 1.00 0.00 C ATOM 832 O VAL A 53 -2.078 -3.191 -2.392 1.00 0.00 O ATOM 833 CB VAL A 53 1.043 -2.536 -3.143 1.00 0.00 C ATOM 834 CG1 VAL A 53 1.278 -2.572 -1.636 1.00 0.00 C ATOM 835 CG2 VAL A 53 2.355 -2.842 -3.869 1.00 0.00 C ATOM 0 H VAL A 53 -1.428 -2.328 -4.489 1.00 0.00 H new ATOM 0 HA VAL A 53 0.448 -4.552 -3.720 1.00 0.00 H new ATOM 0 HB VAL A 53 0.688 -1.547 -3.431 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.026 -1.826 -1.366 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.345 -2.354 -1.117 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.632 -3.561 -1.346 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.103 -2.097 -3.598 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.708 -3.832 -3.581 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.190 -2.815 -4.946 1.00 0.00 H new ATOM 845 N CYS A 54 -0.718 -4.613 -1.432 1.00 0.00 N ATOM 846 CA CYS A 54 -1.683 -4.839 -0.321 1.00 0.00 C ATOM 847 C CYS A 54 -0.948 -4.985 1.011 1.00 0.00 C ATOM 848 O CYS A 54 -0.116 -5.855 1.176 1.00 0.00 O ATOM 849 CB CYS A 54 -2.381 -6.141 -0.686 1.00 0.00 C ATOM 850 SG CYS A 54 -4.120 -6.051 -0.196 1.00 0.00 S ATOM 0 H CYS A 54 0.151 -5.143 -1.370 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.379 -4.009 -0.202 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.303 -6.320 -1.758 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.894 -6.979 -0.187 1.00 0.00 H new ATOM 0 HG CYS A 54 -4.339 -4.929 0.423 1.00 0.00 H new ATOM 855 N ALA A 55 -1.247 -4.146 1.965 1.00 0.00 N ATOM 856 CA ALA A 55 -0.559 -4.252 3.281 1.00 0.00 C ATOM 857 C ALA A 55 -1.535 -3.950 4.422 1.00 0.00 C ATOM 858 O ALA A 55 -2.637 -3.483 4.204 1.00 0.00 O ATOM 859 CB ALA A 55 0.546 -3.200 3.228 1.00 0.00 C ATOM 0 H ALA A 55 -1.934 -3.396 1.890 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.167 -5.253 3.462 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.104 -3.211 4.164 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.220 -3.422 2.401 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.104 -2.215 3.082 1.00 0.00 H new ATOM 865 N ASP A 56 -1.134 -4.208 5.637 1.00 0.00 N ATOM 866 CA ASP A 56 -2.031 -3.932 6.795 1.00 0.00 C ATOM 867 C ASP A 56 -1.808 -2.502 7.292 1.00 0.00 C ATOM 868 O ASP A 56 -0.738 -2.157 7.755 1.00 0.00 O ATOM 869 CB ASP A 56 -1.621 -4.946 7.865 1.00 0.00 C ATOM 870 CG ASP A 56 -2.722 -5.047 8.921 1.00 0.00 C ATOM 871 OD1 ASP A 56 -3.596 -4.195 8.922 1.00 0.00 O ATOM 872 OD2 ASP A 56 -2.674 -5.975 9.712 1.00 0.00 O ATOM 0 H ASP A 56 -0.223 -4.598 5.878 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.086 -4.022 6.538 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.449 -5.921 7.410 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.683 -4.641 8.330 1.00 0.00 H new ATOM 877 N LYS A 57 -2.806 -1.668 7.195 1.00 0.00 N ATOM 878 CA LYS A 57 -2.649 -0.259 7.657 1.00 0.00 C ATOM 879 C LYS A 57 -1.825 -0.204 8.947 1.00 0.00 C ATOM 880 O LYS A 57 -1.148 0.766 9.222 1.00 0.00 O ATOM 881 CB LYS A 57 -4.074 0.236 7.915 1.00 0.00 C ATOM 882 CG LYS A 57 -4.814 0.391 6.586 1.00 0.00 C ATOM 883 CD LYS A 57 -6.186 1.020 6.839 1.00 0.00 C ATOM 884 CE LYS A 57 -7.059 0.042 7.628 1.00 0.00 C ATOM 885 NZ LYS A 57 -7.370 -1.055 6.670 1.00 0.00 N ATOM 0 H LYS A 57 -3.724 -1.901 6.816 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.127 0.354 6.923 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.603 -0.468 8.557 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.048 1.190 8.441 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.235 1.015 5.905 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.930 -0.581 6.106 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.074 1.952 7.393 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.664 1.268 5.891 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.534 -0.337 8.505 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.969 0.524 7.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.098 -1.676 7.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.720 -0.649 5.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -6.509 -1.608 6.484 1.00 0.00 H new ATOM 899 N SER A 58 -1.882 -1.237 9.742 1.00 0.00 N ATOM 900 CA SER A 58 -1.106 -1.239 11.017 1.00 0.00 C ATOM 901 C SER A 58 0.380 -1.014 10.736 1.00 0.00 C ATOM 902 O SER A 58 1.063 -0.327 11.469 1.00 0.00 O ATOM 903 CB SER A 58 -1.336 -2.624 11.619 1.00 0.00 C ATOM 904 OG SER A 58 -1.358 -3.590 10.577 1.00 0.00 O ATOM 0 H SER A 58 -2.431 -2.079 9.566 1.00 0.00 H new ATOM 0 HA SER A 58 -1.422 -0.444 11.692 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.546 -2.859 12.332 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.277 -2.643 12.168 1.00 0.00 H new ATOM 0 HG SER A 58 -1.231 -4.484 10.957 1.00 0.00 H new ATOM 910 N LYS A 59 0.882 -1.584 9.682 1.00 0.00 N ATOM 911 CA LYS A 59 2.321 -1.401 9.352 1.00 0.00 C ATOM 912 C LYS A 59 2.705 0.074 9.457 1.00 0.00 C ATOM 913 O LYS A 59 2.183 0.916 8.753 1.00 0.00 O ATOM 914 CB LYS A 59 2.448 -1.885 7.914 1.00 0.00 C ATOM 915 CG LYS A 59 2.790 -3.376 7.900 1.00 0.00 C ATOM 916 CD LYS A 59 4.039 -3.624 8.747 1.00 0.00 C ATOM 917 CE LYS A 59 3.631 -4.227 10.092 1.00 0.00 C ATOM 918 NZ LYS A 59 3.448 -5.680 9.821 1.00 0.00 N ATOM 0 H LYS A 59 0.358 -2.170 9.032 1.00 0.00 H new ATOM 0 HA LYS A 59 2.978 -1.945 10.031 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.515 -1.711 7.378 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.223 -1.319 7.397 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.953 -3.955 8.290 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.960 -3.711 6.877 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.718 -4.298 8.225 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.577 -2.689 8.904 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.398 -4.060 10.849 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.711 -3.776 10.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.167 -6.164 10.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.708 -5.808 9.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.341 -6.084 9.474 1.00 0.00 H new ATOM 932 N ASP A 60 3.618 0.389 10.328 1.00 0.00 N ATOM 933 CA ASP A 60 4.046 1.806 10.484 1.00 0.00 C ATOM 934 C ASP A 60 4.343 2.426 9.117 1.00 0.00 C ATOM 935 O ASP A 60 3.794 3.450 8.758 1.00 0.00 O ATOM 936 CB ASP A 60 5.314 1.736 11.332 1.00 0.00 C ATOM 937 CG ASP A 60 4.946 1.826 12.814 1.00 0.00 C ATOM 938 OD1 ASP A 60 4.058 2.597 13.137 1.00 0.00 O ATOM 939 OD2 ASP A 60 5.558 1.123 13.601 1.00 0.00 O ATOM 0 H ASP A 60 4.089 -0.276 10.942 1.00 0.00 H new ATOM 0 HA ASP A 60 3.277 2.425 10.946 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.845 0.805 11.135 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.988 2.550 11.064 1.00 0.00 H new ATOM 944 N TRP A 61 5.206 1.818 8.350 1.00 0.00 N ATOM 945 CA TRP A 61 5.531 2.381 7.008 1.00 0.00 C ATOM 946 C TRP A 61 4.252 2.546 6.189 1.00 0.00 C ATOM 947 O TRP A 61 4.067 3.525 5.489 1.00 0.00 O ATOM 948 CB TRP A 61 6.469 1.358 6.363 1.00 0.00 C ATOM 949 CG TRP A 61 5.699 0.168 5.888 1.00 0.00 C ATOM 950 CD1 TRP A 61 5.394 -0.905 6.645 1.00 0.00 C ATOM 951 CD2 TRP A 61 5.149 -0.097 4.565 1.00 0.00 C ATOM 952 NE1 TRP A 61 4.701 -1.820 5.872 1.00 0.00 N ATOM 953 CE2 TRP A 61 4.522 -1.365 4.581 1.00 0.00 C ATOM 954 CE3 TRP A 61 5.133 0.630 3.365 1.00 0.00 C ATOM 955 CZ2 TRP A 61 3.905 -1.892 3.443 1.00 0.00 C ATOM 956 CZ3 TRP A 61 4.510 0.104 2.221 1.00 0.00 C ATOM 957 CH2 TRP A 61 3.898 -1.157 2.261 1.00 0.00 C ATOM 0 H TRP A 61 5.699 0.959 8.593 1.00 0.00 H new ATOM 0 HA TRP A 61 5.995 3.365 7.068 1.00 0.00 H new ATOM 0 HB2 TRP A 61 6.995 1.816 5.526 1.00 0.00 H new ATOM 0 HB3 TRP A 61 7.226 1.045 7.083 1.00 0.00 H new ATOM 0 HD1 TRP A 61 5.649 -1.030 7.687 1.00 0.00 H new ATOM 0 HE1 TRP A 61 4.364 -2.720 6.214 1.00 0.00 H new ATOM 0 HE3 TRP A 61 5.603 1.601 3.320 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 3.436 -2.864 3.481 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 4.502 0.675 1.304 1.00 0.00 H new ATOM 0 HH2 TRP A 61 3.423 -1.557 1.377 1.00 0.00 H new ATOM 968 N VAL A 62 3.358 1.607 6.285 1.00 0.00 N ATOM 969 CA VAL A 62 2.086 1.715 5.534 1.00 0.00 C ATOM 970 C VAL A 62 1.285 2.914 6.043 1.00 0.00 C ATOM 971 O VAL A 62 0.862 3.760 5.283 1.00 0.00 O ATOM 972 CB VAL A 62 1.363 0.405 5.830 1.00 0.00 C ATOM 973 CG1 VAL A 62 -0.138 0.640 5.814 1.00 0.00 C ATOM 974 CG2 VAL A 62 1.711 -0.626 4.760 1.00 0.00 C ATOM 0 H VAL A 62 3.456 0.766 6.854 1.00 0.00 H new ATOM 0 HA VAL A 62 2.230 1.868 4.464 1.00 0.00 H new ATOM 0 HB VAL A 62 1.672 0.040 6.809 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.655 -0.296 6.025 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.399 1.378 6.572 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.438 1.007 4.832 1.00 0.00 H new ATOM 0 HG21 VAL A 62 1.193 -1.561 4.974 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.402 -0.255 3.783 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.787 -0.799 4.758 1.00 0.00 H new ATOM 984 N LYS A 63 1.077 2.997 7.327 1.00 0.00 N ATOM 985 CA LYS A 63 0.315 4.140 7.877 1.00 0.00 C ATOM 986 C LYS A 63 0.775 5.430 7.204 1.00 0.00 C ATOM 987 O LYS A 63 -0.019 6.187 6.679 1.00 0.00 O ATOM 988 CB LYS A 63 0.656 4.144 9.364 1.00 0.00 C ATOM 989 CG LYS A 63 -0.529 4.691 10.151 1.00 0.00 C ATOM 990 CD LYS A 63 -0.081 5.884 10.996 1.00 0.00 C ATOM 991 CE LYS A 63 0.622 5.382 12.259 1.00 0.00 C ATOM 992 NZ LYS A 63 0.892 6.607 13.062 1.00 0.00 N ATOM 0 H LYS A 63 1.404 2.320 8.016 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.759 4.062 7.710 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.893 3.134 9.697 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.540 4.755 9.544 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.322 4.995 9.468 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.942 3.913 10.793 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.593 6.518 10.420 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.942 6.496 11.265 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.006 4.681 12.808 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.546 4.858 12.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.374 6.344 13.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.498 7.253 12.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.007 7.081 13.285 1.00 0.00 H new ATOM 1006 N LYS A 64 2.054 5.683 7.193 1.00 0.00 N ATOM 1007 CA LYS A 64 2.550 6.917 6.530 1.00 0.00 C ATOM 1008 C LYS A 64 2.051 6.936 5.085 1.00 0.00 C ATOM 1009 O LYS A 64 1.689 7.969 4.554 1.00 0.00 O ATOM 1010 CB LYS A 64 4.080 6.826 6.595 1.00 0.00 C ATOM 1011 CG LYS A 64 4.642 6.398 5.235 1.00 0.00 C ATOM 1012 CD LYS A 64 6.139 6.106 5.369 1.00 0.00 C ATOM 1013 CE LYS A 64 6.927 7.059 4.469 1.00 0.00 C ATOM 1014 NZ LYS A 64 8.310 6.507 4.442 1.00 0.00 N ATOM 0 H LYS A 64 2.772 5.092 7.612 1.00 0.00 H new ATOM 0 HA LYS A 64 2.198 7.832 7.006 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.497 7.791 6.882 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.377 6.110 7.361 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.119 5.512 4.876 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.479 7.185 4.498 1.00 0.00 H new ATOM 0 HD2 LYS A 64 6.452 6.226 6.406 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.345 5.072 5.091 1.00 0.00 H new ATOM 0 HE2 LYS A 64 6.499 7.101 3.467 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.915 8.075 4.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.912 7.108 3.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 8.694 6.486 5.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 8.291 5.542 4.056 1.00 0.00 H new ATOM 1028 N LEU A 65 2.015 5.796 4.450 1.00 0.00 N ATOM 1029 CA LEU A 65 1.522 5.746 3.046 1.00 0.00 C ATOM 1030 C LEU A 65 0.042 6.117 3.005 1.00 0.00 C ATOM 1031 O LEU A 65 -0.351 7.057 2.353 1.00 0.00 O ATOM 1032 CB LEU A 65 1.729 4.300 2.594 1.00 0.00 C ATOM 1033 CG LEU A 65 3.173 4.125 2.126 1.00 0.00 C ATOM 1034 CD1 LEU A 65 3.621 2.692 2.387 1.00 0.00 C ATOM 1035 CD2 LEU A 65 3.263 4.416 0.628 1.00 0.00 C ATOM 0 H LEU A 65 2.305 4.900 4.842 1.00 0.00 H new ATOM 0 HA LEU A 65 2.048 6.446 2.397 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.514 3.615 3.414 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.039 4.056 1.786 1.00 0.00 H new ATOM 0 HG LEU A 65 3.816 4.815 2.672 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.651 2.566 2.053 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.557 2.479 3.454 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.976 2.004 1.840 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.293 4.291 0.294 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.619 3.725 0.084 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.941 5.440 0.436 1.00 0.00 H new ATOM 1064 N GLN A 67 -1.530 7.625 5.003 1.00 0.00 N ATOM 1065 CA GLN A 67 -1.681 8.997 5.566 1.00 0.00 C ATOM 1066 C GLN A 67 -1.384 10.055 4.498 1.00 0.00 C ATOM 1067 O GLN A 67 -2.069 11.053 4.394 1.00 0.00 O ATOM 1068 CB GLN A 67 -0.654 9.075 6.696 1.00 0.00 C ATOM 1069 CG GLN A 67 -1.087 10.136 7.709 1.00 0.00 C ATOM 1070 CD GLN A 67 -2.433 9.738 8.318 1.00 0.00 C ATOM 1071 OE1 GLN A 67 -2.682 8.576 8.565 1.00 0.00 O ATOM 1072 NE2 GLN A 67 -3.319 10.663 8.572 1.00 0.00 N ATOM 0 HA GLN A 67 -2.695 9.185 5.918 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.563 8.106 7.186 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.328 9.322 6.292 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -0.336 10.234 8.493 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.169 11.108 7.222 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.110 11.640 8.365 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.220 10.409 8.978 1.00 0.00 H new ATOM 1081 N GLN A 68 -0.365 9.851 3.708 1.00 0.00 N ATOM 1082 CA GLN A 68 -0.026 10.856 2.656 1.00 0.00 C ATOM 1083 C GLN A 68 -0.757 10.533 1.348 1.00 0.00 C ATOM 1084 O GLN A 68 -1.106 11.414 0.587 1.00 0.00 O ATOM 1085 CB GLN A 68 1.486 10.734 2.473 1.00 0.00 C ATOM 1086 CG GLN A 68 2.200 11.581 3.528 1.00 0.00 C ATOM 1087 CD GLN A 68 1.573 11.324 4.900 1.00 0.00 C ATOM 1088 OE1 GLN A 68 0.497 11.807 5.190 1.00 0.00 O ATOM 1089 NE2 GLN A 68 2.205 10.575 5.762 1.00 0.00 N ATOM 0 H GLN A 68 0.246 9.035 3.744 1.00 0.00 H new ATOM 0 HA GLN A 68 -0.325 11.865 2.938 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.790 9.691 2.562 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.769 11.064 1.474 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.262 11.335 3.550 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.123 12.638 3.274 1.00 0.00 H new ATOM 0 HE21 GLN A 68 3.109 10.169 5.519 1.00 0.00 H new ATOM 0 HE22 GLN A 68 1.795 10.396 6.679 1.00 0.00 H new ATOM 1098 N LEU A 69 -0.989 9.278 1.080 1.00 0.00 N ATOM 1099 CA LEU A 69 -1.696 8.897 -0.176 1.00 0.00 C ATOM 1100 C LEU A 69 -3.205 9.092 -0.015 1.00 0.00 C ATOM 1101 O LEU A 69 -3.726 9.047 1.081 1.00 0.00 O ATOM 1102 CB LEU A 69 -1.385 7.413 -0.389 1.00 0.00 C ATOM 1103 CG LEU A 69 0.099 7.132 -0.159 1.00 0.00 C ATOM 1104 CD1 LEU A 69 0.278 5.672 0.255 1.00 0.00 C ATOM 1105 CD2 LEU A 69 0.874 7.374 -1.451 1.00 0.00 C ATOM 0 H LEU A 69 -0.719 8.497 1.678 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.374 9.508 -1.019 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.984 6.810 0.293 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.663 7.120 -1.402 1.00 0.00 H new ATOM 0 HG LEU A 69 0.472 7.792 0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.336 5.468 0.420 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.276 5.484 1.175 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.098 5.021 -0.534 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.932 7.173 -1.284 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.497 6.712 -2.231 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.747 8.411 -1.763 1.00 0.00 H new ATOM 1117 N PRO A 70 -3.853 9.295 -1.127 1.00 0.00 N ATOM 1118 CA PRO A 70 -5.317 9.490 -1.134 1.00 0.00 C ATOM 1119 C PRO A 70 -6.030 8.134 -1.170 1.00 0.00 C ATOM 1120 O PRO A 70 -5.842 7.350 -2.078 1.00 0.00 O ATOM 1121 CB PRO A 70 -5.556 10.263 -2.427 1.00 0.00 C ATOM 1122 CG PRO A 70 -4.401 9.921 -3.324 1.00 0.00 C ATOM 1123 CD PRO A 70 -3.285 9.365 -2.472 1.00 0.00 C ATOM 0 HA PRO A 70 -5.693 10.009 -0.252 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -6.504 9.979 -2.884 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.602 11.336 -2.239 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -4.706 9.191 -4.073 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -4.063 10.807 -3.861 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -2.970 8.382 -2.822 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.406 10.009 -2.499 1.00 0.00 H new ATOM 1131 N VAL A 71 -6.845 7.850 -0.189 1.00 0.00 N ATOM 1132 CA VAL A 71 -7.565 6.541 -0.175 1.00 0.00 C ATOM 1133 C VAL A 71 -8.439 6.403 -1.424 1.00 0.00 C ATOM 1134 O VAL A 71 -9.646 6.521 -1.365 1.00 0.00 O ATOM 1135 CB VAL A 71 -8.435 6.574 1.083 1.00 0.00 C ATOM 1136 CG1 VAL A 71 -9.111 7.939 1.199 1.00 0.00 C ATOM 1137 CG2 VAL A 71 -9.505 5.484 0.991 1.00 0.00 C ATOM 0 H VAL A 71 -7.043 8.464 0.601 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.877 5.696 -0.172 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.812 6.400 1.960 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.731 7.963 2.095 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.351 8.717 1.263 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -9.734 8.112 0.322 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -10.125 5.507 1.887 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -10.128 5.659 0.114 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -9.025 4.509 0.907 1.00 0.00 H new ATOM 1147 N THR A 72 -7.836 6.152 -2.554 1.00 0.00 N ATOM 1148 CA THR A 72 -8.625 6.002 -3.811 1.00 0.00 C ATOM 1149 C THR A 72 -9.933 5.256 -3.531 1.00 0.00 C ATOM 1150 O THR A 72 -10.058 4.545 -2.554 1.00 0.00 O ATOM 1151 CB THR A 72 -7.728 5.181 -4.740 1.00 0.00 C ATOM 1152 OG1 THR A 72 -6.366 5.465 -4.451 1.00 0.00 O ATOM 1153 CG2 THR A 72 -8.029 5.540 -6.195 1.00 0.00 C ATOM 0 H THR A 72 -6.827 6.044 -2.662 1.00 0.00 H new ATOM 0 HA THR A 72 -8.897 6.963 -4.247 1.00 0.00 H new ATOM 0 HB THR A 72 -7.920 4.119 -4.585 1.00 0.00 H new ATOM 0 HG1 THR A 72 -6.117 5.043 -3.603 1.00 0.00 H new ATOM 0 HG21 THR A 72 -7.389 4.954 -6.854 1.00 0.00 H new ATOM 0 HG22 THR A 72 -9.074 5.321 -6.415 1.00 0.00 H new ATOM 0 HG23 THR A 72 -7.839 6.601 -6.355 1.00 0.00 H new