USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 406 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 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= -2.67! USER MOD Single : A 41 LYS NZ :NH3+ 162:sc= 0.0661 (180deg=0.0166) USER MOD Single : A 43 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0376) USER MOD Single : A 46 SER OG : rot -150:sc= -0.924 USER MOD Single : A 50 ASN : amide:sc= -0.584 X(o=-0.58,f=-0.56!) USER MOD Single : A 51 THR OG1 : rot -150:sc= 0.0568 USER MOD Single : A 57 ASN : amide:sc= -0.252 K(o=-0.25,f=-3!) USER MOD Single : A 60 CYS SG : rot 30:sc= 0.47 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= -0.347 USER MOD Single : A 71 GLN : amide:sc= -0.032 K(o=-0.032,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 229 N VAL A 22 8.682 10.734 3.747 1.00 0.00 N ATOM 230 CA VAL A 22 7.209 10.689 3.963 1.00 0.00 C ATOM 231 C VAL A 22 6.584 9.658 3.019 1.00 0.00 C ATOM 232 O VAL A 22 7.213 9.191 2.091 1.00 0.00 O ATOM 233 CB VAL A 22 6.612 12.068 3.681 1.00 0.00 C ATOM 234 CG1 VAL A 22 5.097 12.022 3.891 1.00 0.00 C ATOM 235 CG2 VAL A 22 7.227 13.094 4.635 1.00 0.00 C ATOM 0 HA VAL A 22 7.001 10.407 4.995 1.00 0.00 H new ATOM 0 HB VAL A 22 6.827 12.353 2.651 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.672 13.005 3.690 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.658 11.291 3.212 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.881 11.737 4.921 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.802 14.078 4.435 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.012 12.808 5.665 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.306 13.128 4.486 1.00 0.00 H new ATOM 245 N VAL A 23 5.349 9.304 3.248 1.00 0.00 N ATOM 246 CA VAL A 23 4.683 8.308 2.364 1.00 0.00 C ATOM 247 C VAL A 23 3.804 9.043 1.352 1.00 0.00 C ATOM 248 O VAL A 23 3.012 9.893 1.707 1.00 0.00 O ATOM 249 CB VAL A 23 3.816 7.374 3.210 1.00 0.00 C ATOM 250 CG1 VAL A 23 3.475 6.121 2.402 1.00 0.00 C ATOM 251 CG2 VAL A 23 4.583 6.973 4.472 1.00 0.00 C ATOM 0 H VAL A 23 4.773 9.662 4.010 1.00 0.00 H new ATOM 0 HA VAL A 23 5.437 7.723 1.838 1.00 0.00 H new ATOM 0 HB VAL A 23 2.896 7.887 3.490 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.857 5.456 3.005 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.930 6.406 1.502 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.395 5.607 2.122 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.967 6.307 5.076 1.00 0.00 H new ATOM 0 HG22 VAL A 23 5.503 6.460 4.191 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.826 7.865 5.049 1.00 0.00 H new ATOM 261 N GLU A 24 3.937 8.725 0.094 1.00 0.00 N ATOM 262 CA GLU A 24 3.108 9.411 -0.935 1.00 0.00 C ATOM 263 C GLU A 24 1.833 8.604 -1.189 1.00 0.00 C ATOM 264 O GLU A 24 0.792 9.151 -1.493 1.00 0.00 O ATOM 265 CB GLU A 24 3.904 9.532 -2.235 1.00 0.00 C ATOM 266 CG GLU A 24 3.204 10.520 -3.172 1.00 0.00 C ATOM 267 CD GLU A 24 3.611 11.948 -2.806 1.00 0.00 C ATOM 268 OE1 GLU A 24 3.503 12.294 -1.641 1.00 0.00 O ATOM 269 OE2 GLU A 24 4.025 12.671 -3.698 1.00 0.00 O ATOM 0 H GLU A 24 4.582 8.021 -0.265 1.00 0.00 H new ATOM 0 HA GLU A 24 2.841 10.406 -0.579 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.918 9.871 -2.023 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.988 8.557 -2.715 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.472 10.308 -4.207 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.123 10.408 -3.094 1.00 0.00 H new ATOM 276 N LYS A 25 1.905 7.307 -1.065 1.00 0.00 N ATOM 277 CA LYS A 25 0.695 6.468 -1.298 1.00 0.00 C ATOM 278 C LYS A 25 1.101 4.996 -1.393 1.00 0.00 C ATOM 279 O LYS A 25 2.243 4.641 -1.178 1.00 0.00 O ATOM 280 CB LYS A 25 0.022 6.895 -2.605 1.00 0.00 C ATOM 281 CG LYS A 25 1.086 7.116 -3.681 1.00 0.00 C ATOM 282 CD LYS A 25 0.493 6.803 -5.057 1.00 0.00 C ATOM 283 CE LYS A 25 -0.573 7.845 -5.403 1.00 0.00 C ATOM 284 NZ LYS A 25 -1.619 7.220 -6.261 1.00 0.00 N ATOM 0 H LYS A 25 2.749 6.792 -0.813 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.001 6.599 -0.469 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.684 6.130 -2.929 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.549 7.811 -2.450 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.440 8.147 -3.652 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.949 6.477 -3.491 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.279 6.806 -5.813 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.055 5.805 -5.057 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.023 8.238 -4.491 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.118 8.688 -5.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.344 7.928 -6.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.184 6.866 -7.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.061 6.429 -5.750 1.00 0.00 H new ATOM 298 N VAL A 26 0.172 4.137 -1.714 1.00 0.00 N ATOM 299 CA VAL A 26 0.503 2.687 -1.823 1.00 0.00 C ATOM 300 C VAL A 26 0.850 2.358 -3.275 1.00 0.00 C ATOM 301 O VAL A 26 1.384 3.178 -3.995 1.00 0.00 O ATOM 302 CB VAL A 26 -0.702 1.845 -1.383 1.00 0.00 C ATOM 303 CG1 VAL A 26 -0.208 0.568 -0.701 1.00 0.00 C ATOM 304 CG2 VAL A 26 -1.561 2.642 -0.399 1.00 0.00 C ATOM 0 H VAL A 26 -0.801 4.376 -1.905 1.00 0.00 H new ATOM 0 HA VAL A 26 1.353 2.460 -1.180 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.299 1.589 -2.258 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.063 -0.031 -0.388 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.401 -0.006 -1.400 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.391 0.830 0.171 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.415 2.039 -0.090 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.965 2.902 0.476 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.916 3.553 -0.881 1.00 0.00 H new ATOM 314 N LEU A 27 0.552 1.166 -3.714 1.00 0.00 N ATOM 315 CA LEU A 27 0.869 0.795 -5.122 1.00 0.00 C ATOM 316 C LEU A 27 0.382 -0.627 -5.401 1.00 0.00 C ATOM 317 O LEU A 27 -0.106 -0.928 -6.473 1.00 0.00 O ATOM 318 CB LEU A 27 2.381 0.866 -5.341 1.00 0.00 C ATOM 319 CG LEU A 27 2.716 2.107 -6.166 1.00 0.00 C ATOM 320 CD1 LEU A 27 3.766 2.941 -5.430 1.00 0.00 C ATOM 321 CD2 LEU A 27 3.269 1.679 -7.527 1.00 0.00 C ATOM 0 H LEU A 27 0.104 0.435 -3.161 1.00 0.00 H new ATOM 0 HA LEU A 27 0.369 1.488 -5.798 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.897 0.903 -4.382 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.728 -0.030 -5.855 1.00 0.00 H new ATOM 0 HG LEU A 27 1.814 2.702 -6.309 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.005 3.827 -6.019 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.374 3.245 -4.459 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.668 2.346 -5.287 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.509 2.564 -8.117 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.171 1.084 -7.383 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.522 1.084 -8.052 1.00 0.00 H new ATOM 333 N ASP A 28 0.512 -1.508 -4.448 1.00 0.00 N ATOM 334 CA ASP A 28 0.058 -2.910 -4.666 1.00 0.00 C ATOM 335 C ASP A 28 -0.198 -3.583 -3.317 1.00 0.00 C ATOM 336 O ASP A 28 -0.033 -2.988 -2.272 1.00 0.00 O ATOM 337 CB ASP A 28 1.139 -3.684 -5.424 1.00 0.00 C ATOM 338 CG ASP A 28 1.454 -2.967 -6.739 1.00 0.00 C ATOM 339 OD1 ASP A 28 0.654 -3.072 -7.654 1.00 0.00 O ATOM 340 OD2 ASP A 28 2.489 -2.327 -6.808 1.00 0.00 O ATOM 0 H ASP A 28 0.912 -1.318 -3.529 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.863 -2.905 -5.248 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.040 -3.762 -4.815 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.801 -4.701 -5.624 1.00 0.00 H new ATOM 345 N ARG A 29 -0.599 -4.825 -3.333 1.00 0.00 N ATOM 346 CA ARG A 29 -0.865 -5.540 -2.054 1.00 0.00 C ATOM 347 C ARG A 29 -0.997 -7.039 -2.330 1.00 0.00 C ATOM 348 O ARG A 29 -1.854 -7.470 -3.077 1.00 0.00 O ATOM 349 CB ARG A 29 -2.164 -5.019 -1.435 1.00 0.00 C ATOM 350 CG ARG A 29 -2.504 -5.843 -0.191 1.00 0.00 C ATOM 351 CD ARG A 29 -4.012 -6.088 -0.139 1.00 0.00 C ATOM 352 NE ARG A 29 -4.338 -7.337 -0.885 1.00 0.00 N ATOM 353 CZ ARG A 29 -4.621 -8.431 -0.232 1.00 0.00 C ATOM 354 NH1 ARG A 29 -4.002 -8.704 0.884 1.00 0.00 N ATOM 355 NH2 ARG A 29 -5.524 -9.251 -0.695 1.00 0.00 N ATOM 0 H ARG A 29 -0.754 -5.375 -4.178 1.00 0.00 H new ATOM 0 HA ARG A 29 -0.041 -5.366 -1.362 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.056 -3.967 -1.169 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.976 -5.083 -2.160 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.971 -6.793 -0.214 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.179 -5.317 0.707 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.342 -6.173 0.896 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.544 -5.242 -0.574 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.340 -7.336 -1.905 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.297 -8.062 1.246 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.223 -9.559 1.394 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.008 -9.037 -1.567 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.746 -10.106 -0.185 1.00 0.00 H new ATOM 369 N ARG A 30 -0.155 -7.836 -1.734 1.00 0.00 N ATOM 370 CA ARG A 30 -0.231 -9.305 -1.963 1.00 0.00 C ATOM 371 C ARG A 30 -0.248 -10.029 -0.615 1.00 0.00 C ATOM 372 O ARG A 30 -0.287 -9.414 0.431 1.00 0.00 O ATOM 373 CB ARG A 30 0.986 -9.759 -2.769 1.00 0.00 C ATOM 374 CG ARG A 30 2.247 -9.616 -1.914 1.00 0.00 C ATOM 375 CD ARG A 30 2.993 -10.950 -1.874 1.00 0.00 C ATOM 376 NE ARG A 30 4.462 -10.702 -1.919 1.00 0.00 N ATOM 377 CZ ARG A 30 5.289 -11.702 -2.051 1.00 0.00 C ATOM 378 NH1 ARG A 30 5.470 -12.250 -3.222 1.00 0.00 N ATOM 379 NH2 ARG A 30 5.936 -12.156 -1.012 1.00 0.00 N ATOM 0 H ARG A 30 0.583 -7.533 -1.098 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.141 -9.541 -2.515 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.862 -10.796 -3.082 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.079 -9.161 -3.676 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.892 -8.839 -2.326 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.980 -9.306 -0.903 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.734 -11.496 -0.967 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.693 -11.572 -2.717 1.00 0.00 H new ATOM 0 HE ARG A 30 4.821 -9.750 -1.847 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.965 -11.896 -4.034 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.117 -13.032 -3.325 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.795 -11.729 -0.097 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.583 -12.938 -1.116 1.00 0.00 H new ATOM 393 N VAL A 31 -0.221 -11.334 -0.634 1.00 0.00 N ATOM 394 CA VAL A 31 -0.234 -12.096 0.646 1.00 0.00 C ATOM 395 C VAL A 31 0.695 -13.306 0.523 1.00 0.00 C ATOM 396 O VAL A 31 0.965 -13.790 -0.557 1.00 0.00 O ATOM 397 CB VAL A 31 -1.666 -12.559 0.952 1.00 0.00 C ATOM 398 CG1 VAL A 31 -1.643 -13.748 1.918 1.00 0.00 C ATOM 399 CG2 VAL A 31 -2.439 -11.408 1.596 1.00 0.00 C ATOM 0 H VAL A 31 -0.191 -11.904 -1.479 1.00 0.00 H new ATOM 0 HA VAL A 31 0.114 -11.459 1.459 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.148 -12.862 0.022 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.664 -14.067 2.127 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.091 -14.572 1.467 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.158 -13.452 2.848 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.457 -11.731 1.815 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.945 -11.111 2.521 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.467 -10.560 0.911 1.00 0.00 H new ATOM 409 N VAL A 32 1.181 -13.796 1.628 1.00 0.00 N ATOM 410 CA VAL A 32 2.089 -14.975 1.590 1.00 0.00 C ATOM 411 C VAL A 32 1.495 -16.090 2.449 1.00 0.00 C ATOM 412 O VAL A 32 1.628 -17.260 2.149 1.00 0.00 O ATOM 413 CB VAL A 32 3.455 -14.576 2.148 1.00 0.00 C ATOM 414 CG1 VAL A 32 4.421 -15.757 2.026 1.00 0.00 C ATOM 415 CG2 VAL A 32 4.001 -13.386 1.358 1.00 0.00 C ATOM 0 H VAL A 32 0.988 -13.429 2.560 1.00 0.00 H new ATOM 0 HA VAL A 32 2.202 -15.323 0.563 1.00 0.00 H new ATOM 0 HB VAL A 32 3.352 -14.298 3.197 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.395 -15.473 2.424 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.032 -16.605 2.590 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.525 -16.036 0.977 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.975 -13.101 1.756 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.104 -13.662 0.309 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.313 -12.545 1.446 1.00 0.00 H new ATOM 425 N LYS A 33 0.839 -15.733 3.517 1.00 0.00 N ATOM 426 CA LYS A 33 0.233 -16.761 4.407 1.00 0.00 C ATOM 427 C LYS A 33 -0.219 -16.095 5.706 1.00 0.00 C ATOM 428 O LYS A 33 -0.124 -16.666 6.775 1.00 0.00 O ATOM 429 CB LYS A 33 1.274 -17.836 4.722 1.00 0.00 C ATOM 430 CG LYS A 33 2.599 -17.164 5.084 1.00 0.00 C ATOM 431 CD LYS A 33 3.700 -18.222 5.178 1.00 0.00 C ATOM 432 CE LYS A 33 4.673 -17.850 6.298 1.00 0.00 C ATOM 433 NZ LYS A 33 5.808 -17.067 5.731 1.00 0.00 N ATOM 0 H LYS A 33 0.696 -14.768 3.813 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.623 -17.219 3.912 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.932 -18.460 5.548 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.408 -18.492 3.862 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.859 -16.420 4.331 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.504 -16.637 6.034 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.262 -19.201 5.373 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.232 -18.294 4.229 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.159 -17.265 7.061 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.046 -18.751 6.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.470 -16.814 6.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.303 -17.640 5.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.444 -16.200 5.286 1.00 0.00 H new ATOM 447 N GLY A 34 -0.705 -14.886 5.625 1.00 0.00 N ATOM 448 CA GLY A 34 -1.157 -14.179 6.855 1.00 0.00 C ATOM 449 C GLY A 34 -0.245 -12.978 7.117 1.00 0.00 C ATOM 450 O GLY A 34 -0.371 -12.300 8.117 1.00 0.00 O ATOM 0 H GLY A 34 -0.808 -14.358 4.759 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.189 -13.847 6.738 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.135 -14.859 7.707 1.00 0.00 H new ATOM 454 N LYS A 35 0.675 -12.710 6.228 1.00 0.00 N ATOM 455 CA LYS A 35 1.592 -11.552 6.432 1.00 0.00 C ATOM 456 C LYS A 35 1.010 -10.315 5.748 1.00 0.00 C ATOM 457 O LYS A 35 1.032 -9.226 6.287 1.00 0.00 O ATOM 458 CB LYS A 35 2.960 -11.873 5.828 1.00 0.00 C ATOM 459 CG LYS A 35 3.381 -13.286 6.236 1.00 0.00 C ATOM 460 CD LYS A 35 3.817 -13.286 7.702 1.00 0.00 C ATOM 461 CE LYS A 35 2.918 -14.229 8.504 1.00 0.00 C ATOM 462 NZ LYS A 35 3.033 -13.908 9.955 1.00 0.00 N ATOM 0 H LYS A 35 0.830 -13.242 5.372 1.00 0.00 H new ATOM 0 HA LYS A 35 1.702 -11.359 7.499 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.917 -11.795 4.742 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.699 -11.149 6.171 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.552 -13.979 6.092 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.198 -13.630 5.603 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.857 -13.602 7.783 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.758 -12.277 8.110 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.883 -14.127 8.179 1.00 0.00 H new ATOM 0 HE3 LYS A 35 3.207 -15.265 8.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.422 -14.548 10.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.020 -14.027 10.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.737 -12.924 10.117 1.00 0.00 H new ATOM 476 N VAL A 36 0.489 -10.473 4.563 1.00 0.00 N ATOM 477 CA VAL A 36 -0.096 -9.308 3.842 1.00 0.00 C ATOM 478 C VAL A 36 0.962 -8.213 3.690 1.00 0.00 C ATOM 479 O VAL A 36 1.354 -7.577 4.648 1.00 0.00 O ATOM 480 CB VAL A 36 -1.284 -8.762 4.638 1.00 0.00 C ATOM 481 CG1 VAL A 36 -1.698 -7.402 4.073 1.00 0.00 C ATOM 482 CG2 VAL A 36 -2.459 -9.736 4.530 1.00 0.00 C ATOM 0 H VAL A 36 0.443 -11.360 4.062 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.432 -9.625 2.855 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.998 -8.648 5.684 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.544 -7.014 4.641 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.862 -6.707 4.148 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.984 -7.514 3.027 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.306 -9.349 5.096 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.743 -9.849 3.484 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.166 -10.706 4.933 1.00 0.00 H new ATOM 492 N GLU A 37 1.426 -7.987 2.491 1.00 0.00 N ATOM 493 CA GLU A 37 2.456 -6.932 2.276 1.00 0.00 C ATOM 494 C GLU A 37 1.827 -5.757 1.526 1.00 0.00 C ATOM 495 O GLU A 37 0.859 -5.913 0.808 1.00 0.00 O ATOM 496 CB GLU A 37 3.611 -7.505 1.453 1.00 0.00 C ATOM 497 CG GLU A 37 4.429 -8.466 2.318 1.00 0.00 C ATOM 498 CD GLU A 37 5.864 -8.534 1.792 1.00 0.00 C ATOM 499 OE1 GLU A 37 6.107 -9.321 0.892 1.00 0.00 O ATOM 500 OE2 GLU A 37 6.694 -7.797 2.297 1.00 0.00 O ATOM 0 H GLU A 37 1.136 -8.488 1.651 1.00 0.00 H new ATOM 0 HA GLU A 37 2.834 -6.590 3.239 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.224 -8.027 0.578 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.246 -6.698 1.088 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.426 -8.130 3.355 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.978 -9.458 2.303 1.00 0.00 H new ATOM 507 N TYR A 38 2.367 -4.579 1.685 1.00 0.00 N ATOM 508 CA TYR A 38 1.795 -3.398 0.980 1.00 0.00 C ATOM 509 C TYR A 38 2.906 -2.655 0.233 1.00 0.00 C ATOM 510 O TYR A 38 3.925 -2.309 0.798 1.00 0.00 O ATOM 511 CB TYR A 38 1.154 -2.456 2.002 1.00 0.00 C ATOM 512 CG TYR A 38 -0.255 -2.913 2.295 1.00 0.00 C ATOM 513 CD1 TYR A 38 -1.259 -2.757 1.330 1.00 0.00 C ATOM 514 CD2 TYR A 38 -0.559 -3.494 3.535 1.00 0.00 C ATOM 515 CE1 TYR A 38 -2.565 -3.181 1.603 1.00 0.00 C ATOM 516 CE2 TYR A 38 -1.867 -3.919 3.807 1.00 0.00 C ATOM 517 CZ TYR A 38 -2.870 -3.763 2.841 1.00 0.00 C ATOM 518 OH TYR A 38 -4.157 -4.181 3.110 1.00 0.00 O ATOM 0 H TYR A 38 3.178 -4.384 2.272 1.00 0.00 H new ATOM 0 HA TYR A 38 1.041 -3.734 0.268 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.742 -2.444 2.920 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.144 -1.437 1.616 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.025 -2.310 0.375 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.214 -3.614 4.280 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.338 -3.059 0.859 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -2.102 -4.367 4.761 1.00 0.00 H new ATOM 0 HH TYR A 38 -4.195 -4.562 4.012 1.00 0.00 H new ATOM 528 N LEU A 39 2.714 -2.405 -1.033 1.00 0.00 N ATOM 529 CA LEU A 39 3.755 -1.682 -1.817 1.00 0.00 C ATOM 530 C LEU A 39 3.465 -0.180 -1.780 1.00 0.00 C ATOM 531 O LEU A 39 2.483 0.284 -2.325 1.00 0.00 O ATOM 532 CB LEU A 39 3.732 -2.170 -3.268 1.00 0.00 C ATOM 533 CG LEU A 39 5.093 -1.914 -3.916 1.00 0.00 C ATOM 534 CD1 LEU A 39 6.177 -2.663 -3.142 1.00 0.00 C ATOM 535 CD2 LEU A 39 5.067 -2.409 -5.364 1.00 0.00 C ATOM 0 H LEU A 39 1.881 -2.670 -1.559 1.00 0.00 H new ATOM 0 HA LEU A 39 4.737 -1.875 -1.385 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.496 -3.234 -3.301 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.950 -1.653 -3.824 1.00 0.00 H new ATOM 0 HG LEU A 39 5.308 -0.846 -3.899 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.147 -2.480 -3.605 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.195 -2.312 -2.110 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.963 -3.732 -3.158 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.036 -2.227 -5.828 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.852 -3.477 -5.379 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.294 -1.875 -5.917 1.00 0.00 H new ATOM 547 N LEU A 40 4.308 0.583 -1.139 1.00 0.00 N ATOM 548 CA LEU A 40 4.074 2.053 -1.065 1.00 0.00 C ATOM 549 C LEU A 40 5.258 2.796 -1.688 1.00 0.00 C ATOM 550 O LEU A 40 6.379 2.329 -1.663 1.00 0.00 O ATOM 551 CB LEU A 40 3.926 2.473 0.398 1.00 0.00 C ATOM 552 CG LEU A 40 2.725 1.759 1.018 1.00 0.00 C ATOM 553 CD1 LEU A 40 3.213 0.714 2.024 1.00 0.00 C ATOM 554 CD2 LEU A 40 1.841 2.782 1.735 1.00 0.00 C ATOM 0 H LEU A 40 5.148 0.252 -0.664 1.00 0.00 H new ATOM 0 HA LEU A 40 3.163 2.300 -1.611 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.833 2.228 0.951 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.794 3.553 0.465 1.00 0.00 H new ATOM 0 HG LEU A 40 2.151 1.266 0.233 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.356 0.206 2.465 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.844 -0.014 1.515 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.787 1.205 2.809 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.984 2.275 2.178 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.417 3.274 2.519 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.492 3.527 1.019 1.00 0.00 H new ATOM 566 N LYS A 41 5.018 3.953 -2.243 1.00 0.00 N ATOM 567 CA LYS A 41 6.129 4.730 -2.862 1.00 0.00 C ATOM 568 C LYS A 41 6.449 5.942 -1.984 1.00 0.00 C ATOM 569 O LYS A 41 5.586 6.738 -1.670 1.00 0.00 O ATOM 570 CB LYS A 41 5.710 5.206 -4.254 1.00 0.00 C ATOM 571 CG LYS A 41 6.813 6.087 -4.846 1.00 0.00 C ATOM 572 CD LYS A 41 6.181 7.260 -5.599 1.00 0.00 C ATOM 573 CE LYS A 41 5.746 6.799 -6.991 1.00 0.00 C ATOM 574 NZ LYS A 41 6.556 7.504 -8.024 1.00 0.00 N ATOM 0 H LYS A 41 4.100 4.394 -2.294 1.00 0.00 H new ATOM 0 HA LYS A 41 7.012 4.096 -2.948 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.526 4.350 -4.903 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.777 5.765 -4.193 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.462 6.458 -4.053 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.437 5.502 -5.521 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.322 7.641 -5.046 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.895 8.079 -5.682 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.875 5.721 -7.086 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.686 7.007 -7.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.490 6.992 -8.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.195 8.471 -8.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.550 7.542 -7.720 1.00 0.00 H new ATOM 588 N TRP A 42 7.681 6.088 -1.582 1.00 0.00 N ATOM 589 CA TRP A 42 8.053 7.247 -0.723 1.00 0.00 C ATOM 590 C TRP A 42 8.443 8.436 -1.604 1.00 0.00 C ATOM 591 O TRP A 42 8.879 8.273 -2.727 1.00 0.00 O ATOM 592 CB TRP A 42 9.235 6.860 0.168 1.00 0.00 C ATOM 593 CG TRP A 42 8.859 5.682 1.007 1.00 0.00 C ATOM 594 CD1 TRP A 42 8.879 4.394 0.593 1.00 0.00 C ATOM 595 CD2 TRP A 42 8.405 5.660 2.392 1.00 0.00 C ATOM 596 NE1 TRP A 42 8.467 3.582 1.635 1.00 0.00 N ATOM 597 CE2 TRP A 42 8.165 4.315 2.764 1.00 0.00 C ATOM 598 CE3 TRP A 42 8.182 6.666 3.350 1.00 0.00 C ATOM 599 CZ2 TRP A 42 7.717 3.982 4.044 1.00 0.00 C ATOM 600 CZ3 TRP A 42 7.732 6.333 4.641 1.00 0.00 C ATOM 601 CH2 TRP A 42 7.500 4.993 4.985 1.00 0.00 C ATOM 0 H TRP A 42 8.447 5.454 -1.811 1.00 0.00 H new ATOM 0 HA TRP A 42 7.203 7.525 -0.100 1.00 0.00 H new ATOM 0 HB2 TRP A 42 10.104 6.621 -0.445 1.00 0.00 H new ATOM 0 HB3 TRP A 42 9.515 7.699 0.805 1.00 0.00 H new ATOM 0 HD1 TRP A 42 9.169 4.055 -0.390 1.00 0.00 H new ATOM 0 HE1 TRP A 42 8.395 2.566 1.576 1.00 0.00 H new ATOM 0 HE3 TRP A 42 8.357 7.700 3.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 7.539 2.949 4.306 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 7.565 7.112 5.370 1.00 0.00 H new ATOM 0 HH2 TRP A 42 7.154 4.742 5.977 1.00 0.00 H new ATOM 612 N LYS A 43 8.290 9.632 -1.103 1.00 0.00 N ATOM 613 CA LYS A 43 8.651 10.831 -1.910 1.00 0.00 C ATOM 614 C LYS A 43 10.063 11.290 -1.539 1.00 0.00 C ATOM 615 O LYS A 43 10.732 11.954 -2.305 1.00 0.00 O ATOM 616 CB LYS A 43 7.656 11.956 -1.623 1.00 0.00 C ATOM 617 CG LYS A 43 7.652 12.265 -0.126 1.00 0.00 C ATOM 618 CD LYS A 43 6.774 13.489 0.141 1.00 0.00 C ATOM 619 CE LYS A 43 7.514 14.754 -0.296 1.00 0.00 C ATOM 620 NZ LYS A 43 6.838 15.338 -1.488 1.00 0.00 N ATOM 0 H LYS A 43 7.930 9.830 -0.169 1.00 0.00 H new ATOM 0 HA LYS A 43 8.619 10.579 -2.970 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.927 12.848 -2.188 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.657 11.664 -1.947 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.277 11.407 0.432 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.669 12.451 0.220 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.833 13.400 -0.402 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.526 13.548 1.201 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.529 15.479 0.518 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.552 14.518 -0.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.460 16.047 -1.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.633 14.584 -2.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.949 15.791 -1.196 1.00 0.00 H new ATOM 634 N GLY A 44 10.521 10.941 -0.368 1.00 0.00 N ATOM 635 CA GLY A 44 11.889 11.357 0.051 1.00 0.00 C ATOM 636 C GLY A 44 12.886 10.249 -0.290 1.00 0.00 C ATOM 637 O GLY A 44 13.932 10.133 0.316 1.00 0.00 O ATOM 0 H GLY A 44 10.007 10.386 0.316 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.170 12.281 -0.453 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.907 11.560 1.122 1.00 0.00 H new ATOM 641 N PHE A 45 12.569 9.432 -1.257 1.00 0.00 N ATOM 642 CA PHE A 45 13.497 8.331 -1.637 1.00 0.00 C ATOM 643 C PHE A 45 13.606 8.261 -3.162 1.00 0.00 C ATOM 644 O PHE A 45 13.144 9.137 -3.866 1.00 0.00 O ATOM 645 CB PHE A 45 12.956 7.002 -1.106 1.00 0.00 C ATOM 646 CG PHE A 45 13.463 6.777 0.299 1.00 0.00 C ATOM 647 CD1 PHE A 45 14.831 6.580 0.528 1.00 0.00 C ATOM 648 CD2 PHE A 45 12.564 6.764 1.374 1.00 0.00 C ATOM 649 CE1 PHE A 45 15.301 6.370 1.831 1.00 0.00 C ATOM 650 CE2 PHE A 45 13.033 6.554 2.677 1.00 0.00 C ATOM 651 CZ PHE A 45 14.401 6.358 2.906 1.00 0.00 C ATOM 0 H PHE A 45 11.707 9.480 -1.800 1.00 0.00 H new ATOM 0 HA PHE A 45 14.481 8.521 -1.209 1.00 0.00 H new ATOM 0 HB2 PHE A 45 11.866 7.012 -1.113 1.00 0.00 H new ATOM 0 HB3 PHE A 45 13.272 6.184 -1.753 1.00 0.00 H new ATOM 0 HD1 PHE A 45 15.524 6.590 -0.300 1.00 0.00 H new ATOM 0 HD2 PHE A 45 11.509 6.916 1.198 1.00 0.00 H new ATOM 0 HE1 PHE A 45 16.356 6.218 2.007 1.00 0.00 H new ATOM 0 HE2 PHE A 45 12.340 6.543 3.505 1.00 0.00 H new ATOM 0 HZ PHE A 45 14.763 6.198 3.911 1.00 0.00 H new ATOM 661 N SER A 46 14.210 7.226 -3.676 1.00 0.00 N ATOM 662 CA SER A 46 14.344 7.103 -5.155 1.00 0.00 C ATOM 663 C SER A 46 13.008 7.451 -5.815 1.00 0.00 C ATOM 664 O SER A 46 11.977 7.484 -5.172 1.00 0.00 O ATOM 665 CB SER A 46 14.733 5.669 -5.514 1.00 0.00 C ATOM 666 OG SER A 46 13.558 4.874 -5.609 1.00 0.00 O ATOM 0 H SER A 46 14.616 6.461 -3.137 1.00 0.00 H new ATOM 0 HA SER A 46 15.115 7.787 -5.510 1.00 0.00 H new ATOM 0 HB2 SER A 46 15.275 5.653 -6.460 1.00 0.00 H new ATOM 0 HB3 SER A 46 15.402 5.261 -4.756 1.00 0.00 H new ATOM 0 HG SER A 46 13.768 3.949 -5.364 1.00 0.00 H new ATOM 672 N ASP A 47 13.016 7.711 -7.094 1.00 0.00 N ATOM 673 CA ASP A 47 11.745 8.057 -7.790 1.00 0.00 C ATOM 674 C ASP A 47 10.640 7.103 -7.336 1.00 0.00 C ATOM 675 O ASP A 47 9.623 7.518 -6.816 1.00 0.00 O ATOM 676 CB ASP A 47 11.940 7.930 -9.302 1.00 0.00 C ATOM 677 CG ASP A 47 12.982 8.948 -9.770 1.00 0.00 C ATOM 678 OD1 ASP A 47 14.154 8.724 -9.521 1.00 0.00 O ATOM 679 OD2 ASP A 47 12.588 9.937 -10.369 1.00 0.00 O ATOM 0 H ASP A 47 13.847 7.699 -7.686 1.00 0.00 H new ATOM 0 HA ASP A 47 11.464 9.081 -7.545 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.264 6.920 -9.554 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.994 8.099 -9.817 1.00 0.00 H new ATOM 684 N GLU A 48 10.832 5.827 -7.523 1.00 0.00 N ATOM 685 CA GLU A 48 9.794 4.849 -7.096 1.00 0.00 C ATOM 686 C GLU A 48 10.455 3.743 -6.274 1.00 0.00 C ATOM 687 O GLU A 48 10.740 2.671 -6.770 1.00 0.00 O ATOM 688 CB GLU A 48 9.126 4.240 -8.330 1.00 0.00 C ATOM 689 CG GLU A 48 10.194 3.860 -9.357 1.00 0.00 C ATOM 690 CD GLU A 48 9.588 2.926 -10.404 1.00 0.00 C ATOM 691 OE1 GLU A 48 9.022 3.428 -11.361 1.00 0.00 O ATOM 692 OE2 GLU A 48 9.698 1.723 -10.231 1.00 0.00 O ATOM 0 H GLU A 48 11.662 5.420 -7.953 1.00 0.00 H new ATOM 0 HA GLU A 48 9.041 5.354 -6.492 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.550 3.359 -8.047 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.425 4.952 -8.766 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.586 4.756 -9.838 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.033 3.372 -8.861 1.00 0.00 H new ATOM 699 N ASP A 49 10.705 3.997 -5.020 1.00 0.00 N ATOM 700 CA ASP A 49 11.350 2.965 -4.165 1.00 0.00 C ATOM 701 C ASP A 49 10.268 2.107 -3.505 1.00 0.00 C ATOM 702 O ASP A 49 10.293 1.864 -2.315 1.00 0.00 O ATOM 703 CB ASP A 49 12.194 3.653 -3.088 1.00 0.00 C ATOM 704 CG ASP A 49 11.275 4.266 -2.029 1.00 0.00 C ATOM 705 OD1 ASP A 49 10.384 5.010 -2.405 1.00 0.00 O ATOM 706 OD2 ASP A 49 11.480 3.983 -0.860 1.00 0.00 O ATOM 0 H ASP A 49 10.490 4.877 -4.551 1.00 0.00 H new ATOM 0 HA ASP A 49 11.993 2.330 -4.775 1.00 0.00 H new ATOM 0 HB2 ASP A 49 12.869 2.933 -2.625 1.00 0.00 H new ATOM 0 HB3 ASP A 49 12.815 4.428 -3.538 1.00 0.00 H new ATOM 711 N ASN A 50 9.319 1.648 -4.275 1.00 0.00 N ATOM 712 CA ASN A 50 8.230 0.805 -3.703 1.00 0.00 C ATOM 713 C ASN A 50 8.824 -0.202 -2.715 1.00 0.00 C ATOM 714 O ASN A 50 9.869 -0.775 -2.951 1.00 0.00 O ATOM 715 CB ASN A 50 7.522 0.054 -4.832 1.00 0.00 C ATOM 716 CG ASN A 50 8.521 -0.261 -5.947 1.00 0.00 C ATOM 717 OD1 ASN A 50 9.665 -0.575 -5.683 1.00 0.00 O ATOM 718 ND2 ASN A 50 8.135 -0.188 -7.192 1.00 0.00 N ATOM 0 H ASN A 50 9.251 1.821 -5.278 1.00 0.00 H new ATOM 0 HA ASN A 50 7.514 1.442 -3.183 1.00 0.00 H new ATOM 0 HB2 ASN A 50 7.085 -0.869 -4.450 1.00 0.00 H new ATOM 0 HB3 ASN A 50 6.702 0.656 -5.224 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.794 -0.395 -7.943 1.00 0.00 H new ATOM 0 HD22 ASN A 50 7.175 0.076 -7.414 1.00 0.00 H new ATOM 725 N THR A 51 8.164 -0.422 -1.612 1.00 0.00 N ATOM 726 CA THR A 51 8.689 -1.393 -0.610 1.00 0.00 C ATOM 727 C THR A 51 7.539 -2.255 -0.086 1.00 0.00 C ATOM 728 O THR A 51 6.428 -1.791 0.081 1.00 0.00 O ATOM 729 CB THR A 51 9.326 -0.630 0.554 1.00 0.00 C ATOM 730 OG1 THR A 51 9.087 0.761 0.394 1.00 0.00 O ATOM 731 CG2 THR A 51 10.834 -0.891 0.572 1.00 0.00 C ATOM 0 H THR A 51 7.284 0.028 -1.361 1.00 0.00 H new ATOM 0 HA THR A 51 9.438 -2.031 -1.079 1.00 0.00 H new ATOM 0 HB THR A 51 8.889 -0.968 1.493 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.824 1.268 0.795 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.287 -0.348 1.401 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.017 -1.959 0.695 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.273 -0.553 -0.367 1.00 0.00 H new ATOM 739 N TRP A 52 7.796 -3.508 0.174 1.00 0.00 N ATOM 740 CA TRP A 52 6.718 -4.400 0.687 1.00 0.00 C ATOM 741 C TRP A 52 6.861 -4.553 2.202 1.00 0.00 C ATOM 742 O TRP A 52 7.676 -5.314 2.685 1.00 0.00 O ATOM 743 CB TRP A 52 6.836 -5.774 0.023 1.00 0.00 C ATOM 744 CG TRP A 52 6.624 -5.636 -1.451 1.00 0.00 C ATOM 745 CD1 TRP A 52 7.584 -5.315 -2.349 1.00 0.00 C ATOM 746 CD2 TRP A 52 5.394 -5.808 -2.215 1.00 0.00 C ATOM 747 NE1 TRP A 52 7.021 -5.282 -3.609 1.00 0.00 N ATOM 748 CE2 TRP A 52 5.682 -5.576 -3.578 1.00 0.00 C ATOM 749 CE3 TRP A 52 4.071 -6.139 -1.863 1.00 0.00 C ATOM 750 CZ2 TRP A 52 4.703 -5.667 -4.559 1.00 0.00 C ATOM 751 CZ3 TRP A 52 3.074 -6.233 -2.852 1.00 0.00 C ATOM 752 CH2 TRP A 52 3.392 -5.996 -4.199 1.00 0.00 C ATOM 0 H TRP A 52 8.706 -3.952 0.053 1.00 0.00 H new ATOM 0 HA TRP A 52 5.745 -3.966 0.456 1.00 0.00 H new ATOM 0 HB2 TRP A 52 7.819 -6.202 0.221 1.00 0.00 H new ATOM 0 HB3 TRP A 52 6.099 -6.458 0.445 1.00 0.00 H new ATOM 0 HD1 TRP A 52 8.620 -5.117 -2.118 1.00 0.00 H new ATOM 0 HE1 TRP A 52 7.539 -5.065 -4.461 1.00 0.00 H new ATOM 0 HE3 TRP A 52 3.820 -6.322 -0.829 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 4.953 -5.485 -5.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 2.062 -6.488 -2.574 1.00 0.00 H new ATOM 0 HH2 TRP A 52 2.625 -6.068 -4.956 1.00 0.00 H new ATOM 763 N GLU A 53 6.075 -3.836 2.958 1.00 0.00 N ATOM 764 CA GLU A 53 6.169 -3.943 4.442 1.00 0.00 C ATOM 765 C GLU A 53 4.975 -4.743 4.973 1.00 0.00 C ATOM 766 O GLU A 53 3.948 -4.823 4.328 1.00 0.00 O ATOM 767 CB GLU A 53 6.157 -2.542 5.056 1.00 0.00 C ATOM 768 CG GLU A 53 7.499 -2.274 5.741 1.00 0.00 C ATOM 769 CD GLU A 53 7.306 -1.251 6.862 1.00 0.00 C ATOM 770 OE1 GLU A 53 6.922 -0.134 6.557 1.00 0.00 O ATOM 771 OE2 GLU A 53 7.546 -1.602 8.005 1.00 0.00 O ATOM 0 H GLU A 53 5.373 -3.182 2.613 1.00 0.00 H new ATOM 0 HA GLU A 53 7.095 -4.450 4.712 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.976 -1.796 4.282 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.345 -2.456 5.778 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.904 -3.201 6.147 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.222 -1.901 5.015 1.00 0.00 H new ATOM 778 N PRO A 54 5.151 -5.314 6.137 1.00 0.00 N ATOM 779 CA PRO A 54 4.108 -6.121 6.793 1.00 0.00 C ATOM 780 C PRO A 54 3.061 -5.213 7.445 1.00 0.00 C ATOM 781 O PRO A 54 3.388 -4.246 8.104 1.00 0.00 O ATOM 782 CB PRO A 54 4.880 -6.912 7.852 1.00 0.00 C ATOM 783 CG PRO A 54 6.179 -6.117 8.130 1.00 0.00 C ATOM 784 CD PRO A 54 6.407 -5.208 6.908 1.00 0.00 C ATOM 0 HA PRO A 54 3.564 -6.763 6.101 1.00 0.00 H new ATOM 0 HB2 PRO A 54 4.290 -7.022 8.762 1.00 0.00 H new ATOM 0 HB3 PRO A 54 5.108 -7.917 7.497 1.00 0.00 H new ATOM 0 HG2 PRO A 54 6.084 -5.526 9.041 1.00 0.00 H new ATOM 0 HG3 PRO A 54 7.023 -6.792 8.274 1.00 0.00 H new ATOM 0 HD2 PRO A 54 6.604 -4.179 7.209 1.00 0.00 H new ATOM 0 HD3 PRO A 54 7.264 -5.538 6.321 1.00 0.00 H new ATOM 792 N GLU A 55 1.805 -5.517 7.267 1.00 0.00 N ATOM 793 CA GLU A 55 0.741 -4.672 7.877 1.00 0.00 C ATOM 794 C GLU A 55 0.758 -4.851 9.396 1.00 0.00 C ATOM 795 O GLU A 55 0.145 -4.097 10.127 1.00 0.00 O ATOM 796 CB GLU A 55 -0.624 -5.095 7.328 1.00 0.00 C ATOM 797 CG GLU A 55 -0.921 -6.535 7.754 1.00 0.00 C ATOM 798 CD GLU A 55 -2.403 -6.666 8.107 1.00 0.00 C ATOM 799 OE1 GLU A 55 -2.935 -5.742 8.701 1.00 0.00 O ATOM 800 OE2 GLU A 55 -2.982 -7.688 7.778 1.00 0.00 O ATOM 0 H GLU A 55 1.470 -6.314 6.726 1.00 0.00 H new ATOM 0 HA GLU A 55 0.922 -3.625 7.632 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.401 -4.427 7.700 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.631 -5.017 6.241 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.666 -7.224 6.949 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.306 -6.806 8.612 1.00 0.00 H new ATOM 807 N GLU A 56 1.456 -5.842 9.879 1.00 0.00 N ATOM 808 CA GLU A 56 1.513 -6.066 11.351 1.00 0.00 C ATOM 809 C GLU A 56 2.392 -4.993 11.996 1.00 0.00 C ATOM 810 O GLU A 56 2.430 -4.849 13.202 1.00 0.00 O ATOM 811 CB GLU A 56 2.102 -7.448 11.635 1.00 0.00 C ATOM 812 CG GLU A 56 1.229 -8.519 10.981 1.00 0.00 C ATOM 813 CD GLU A 56 1.593 -9.892 11.549 1.00 0.00 C ATOM 814 OE1 GLU A 56 2.774 -10.160 11.686 1.00 0.00 O ATOM 815 OE2 GLU A 56 0.682 -10.652 11.838 1.00 0.00 O ATOM 0 H GLU A 56 1.989 -6.506 9.318 1.00 0.00 H new ATOM 0 HA GLU A 56 0.507 -6.009 11.766 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.120 -7.508 11.249 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.159 -7.617 12.710 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.176 -8.306 11.164 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.373 -8.511 9.901 1.00 0.00 H new ATOM 822 N ASN A 57 3.101 -4.238 11.201 1.00 0.00 N ATOM 823 CA ASN A 57 3.978 -3.175 11.769 1.00 0.00 C ATOM 824 C ASN A 57 3.649 -1.836 11.106 1.00 0.00 C ATOM 825 O ASN A 57 4.155 -0.801 11.490 1.00 0.00 O ATOM 826 CB ASN A 57 5.443 -3.528 11.507 1.00 0.00 C ATOM 827 CG ASN A 57 5.997 -4.321 12.692 1.00 0.00 C ATOM 828 OD1 ASN A 57 5.323 -4.499 13.686 1.00 0.00 O ATOM 829 ND2 ASN A 57 7.206 -4.807 12.629 1.00 0.00 N ATOM 0 H ASN A 57 3.111 -4.311 10.184 1.00 0.00 H new ATOM 0 HA ASN A 57 3.810 -3.100 12.843 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.529 -4.114 10.592 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.026 -2.619 11.360 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.585 -5.336 13.415 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.773 -4.658 11.794 1.00 0.00 H new ATOM 836 N LEU A 58 2.803 -1.847 10.111 1.00 0.00 N ATOM 837 CA LEU A 58 2.440 -0.579 9.423 1.00 0.00 C ATOM 838 C LEU A 58 1.204 0.027 10.089 1.00 0.00 C ATOM 839 O LEU A 58 0.127 -0.534 10.048 1.00 0.00 O ATOM 840 CB LEU A 58 2.140 -0.871 7.953 1.00 0.00 C ATOM 841 CG LEU A 58 3.275 -0.332 7.081 1.00 0.00 C ATOM 842 CD1 LEU A 58 3.144 -0.893 5.665 1.00 0.00 C ATOM 843 CD2 LEU A 58 3.196 1.196 7.032 1.00 0.00 C ATOM 0 H LEU A 58 2.347 -2.683 9.746 1.00 0.00 H new ATOM 0 HA LEU A 58 3.268 0.126 9.492 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.029 -1.945 7.800 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.196 -0.409 7.665 1.00 0.00 H new ATOM 0 HG LEU A 58 4.233 -0.636 7.504 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.953 -0.508 5.045 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.198 -1.981 5.698 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.187 -0.590 5.241 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.004 1.582 6.411 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.238 1.497 6.609 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.290 1.598 8.041 1.00 0.00 H new ATOM 855 N ASP A 59 1.348 1.172 10.700 1.00 0.00 N ATOM 856 CA ASP A 59 0.180 1.812 11.367 1.00 0.00 C ATOM 857 C ASP A 59 -0.450 2.835 10.418 1.00 0.00 C ATOM 858 O ASP A 59 -0.369 4.028 10.634 1.00 0.00 O ATOM 859 CB ASP A 59 0.644 2.519 12.642 1.00 0.00 C ATOM 860 CG ASP A 59 -0.568 3.095 13.377 1.00 0.00 C ATOM 861 OD1 ASP A 59 -1.607 2.456 13.357 1.00 0.00 O ATOM 862 OD2 ASP A 59 -0.435 4.165 13.946 1.00 0.00 O ATOM 0 H ASP A 59 2.224 1.691 10.766 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.556 1.049 11.622 1.00 0.00 H new ATOM 0 HB2 ASP A 59 1.174 1.818 13.287 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.345 3.316 12.394 1.00 0.00 H new ATOM 867 N CYS A 60 -1.077 2.377 9.370 1.00 0.00 N ATOM 868 CA CYS A 60 -1.710 3.324 8.409 1.00 0.00 C ATOM 869 C CYS A 60 -2.910 2.645 7.739 1.00 0.00 C ATOM 870 O CYS A 60 -2.779 2.064 6.680 1.00 0.00 O ATOM 871 CB CYS A 60 -0.690 3.724 7.342 1.00 0.00 C ATOM 872 SG CYS A 60 0.201 5.203 7.885 1.00 0.00 S ATOM 0 H CYS A 60 -1.179 1.389 9.137 1.00 0.00 H new ATOM 0 HA CYS A 60 -2.046 4.213 8.942 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.011 2.907 7.169 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -1.195 3.917 6.395 1.00 0.00 H new ATOM 0 HG CYS A 60 0.264 5.219 9.183 1.00 0.00 H new ATOM 878 N PRO A 61 -4.045 2.740 8.383 1.00 0.00 N ATOM 879 CA PRO A 61 -5.295 2.146 7.881 1.00 0.00 C ATOM 880 C PRO A 61 -5.895 3.016 6.772 1.00 0.00 C ATOM 881 O PRO A 61 -6.914 2.690 6.196 1.00 0.00 O ATOM 882 CB PRO A 61 -6.204 2.125 9.113 1.00 0.00 C ATOM 883 CG PRO A 61 -5.653 3.204 10.077 1.00 0.00 C ATOM 884 CD PRO A 61 -4.188 3.451 9.669 1.00 0.00 C ATOM 0 HA PRO A 61 -5.154 1.157 7.445 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.237 2.340 8.838 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -6.197 1.142 9.585 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -6.236 4.122 10.005 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -5.716 2.868 11.112 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.979 4.515 9.561 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.496 3.064 10.417 1.00 0.00 H new ATOM 892 N ASP A 62 -5.270 4.121 6.466 1.00 0.00 N ATOM 893 CA ASP A 62 -5.804 5.006 5.395 1.00 0.00 C ATOM 894 C ASP A 62 -5.243 4.556 4.047 1.00 0.00 C ATOM 895 O ASP A 62 -5.941 4.515 3.053 1.00 0.00 O ATOM 896 CB ASP A 62 -5.383 6.451 5.666 1.00 0.00 C ATOM 897 CG ASP A 62 -6.172 7.392 4.753 1.00 0.00 C ATOM 898 OD1 ASP A 62 -7.327 7.101 4.490 1.00 0.00 O ATOM 899 OD2 ASP A 62 -5.608 8.389 4.332 1.00 0.00 O ATOM 0 H ASP A 62 -4.413 4.448 6.912 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.892 4.945 5.379 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.564 6.704 6.711 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.314 6.569 5.490 1.00 0.00 H new ATOM 904 N LEU A 63 -3.985 4.210 4.006 1.00 0.00 N ATOM 905 CA LEU A 63 -3.384 3.757 2.726 1.00 0.00 C ATOM 906 C LEU A 63 -3.780 2.303 2.482 1.00 0.00 C ATOM 907 O LEU A 63 -3.912 1.864 1.356 1.00 0.00 O ATOM 908 CB LEU A 63 -1.860 3.866 2.808 1.00 0.00 C ATOM 909 CG LEU A 63 -1.474 5.275 3.261 1.00 0.00 C ATOM 910 CD1 LEU A 63 -0.116 5.230 3.964 1.00 0.00 C ATOM 911 CD2 LEU A 63 -1.385 6.196 2.043 1.00 0.00 C ATOM 0 H LEU A 63 -3.350 4.222 4.804 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.743 4.381 1.908 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.469 3.127 3.508 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.416 3.650 1.836 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.229 5.654 3.950 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.160 6.234 4.287 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.177 4.573 4.832 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.638 4.851 3.275 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.110 7.200 2.366 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.630 5.817 1.354 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.351 6.228 1.540 1.00 0.00 H new ATOM 923 N ILE A 64 -3.981 1.554 3.531 1.00 0.00 N ATOM 924 CA ILE A 64 -4.378 0.132 3.364 1.00 0.00 C ATOM 925 C ILE A 64 -5.821 0.075 2.863 1.00 0.00 C ATOM 926 O ILE A 64 -6.176 -0.759 2.054 1.00 0.00 O ATOM 927 CB ILE A 64 -4.274 -0.590 4.709 1.00 0.00 C ATOM 928 CG1 ILE A 64 -2.819 -0.577 5.183 1.00 0.00 C ATOM 929 CG2 ILE A 64 -4.745 -2.037 4.550 1.00 0.00 C ATOM 930 CD1 ILE A 64 -2.770 -0.838 6.689 1.00 0.00 C ATOM 0 H ILE A 64 -3.887 1.868 4.497 1.00 0.00 H new ATOM 0 HA ILE A 64 -3.718 -0.353 2.645 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.901 -0.083 5.443 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.246 -1.338 4.653 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.360 0.385 4.955 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.671 -2.551 5.508 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -5.781 -2.047 4.212 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.119 -2.545 3.816 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.734 -0.829 7.026 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -3.329 -0.061 7.211 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.213 -1.810 6.904 1.00 0.00 H new ATOM 942 N ALA A 65 -6.655 0.961 3.336 1.00 0.00 N ATOM 943 CA ALA A 65 -8.074 0.967 2.888 1.00 0.00 C ATOM 944 C ALA A 65 -8.248 1.987 1.761 1.00 0.00 C ATOM 945 O ALA A 65 -9.342 2.223 1.289 1.00 0.00 O ATOM 946 CB ALA A 65 -8.979 1.344 4.062 1.00 0.00 C ATOM 0 H ALA A 65 -6.413 1.682 4.015 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.345 -0.025 2.526 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.018 1.348 3.733 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.855 0.617 4.865 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.709 2.336 4.426 1.00 0.00 H new ATOM 952 N GLU A 66 -7.177 2.593 1.321 1.00 0.00 N ATOM 953 CA GLU A 66 -7.286 3.593 0.224 1.00 0.00 C ATOM 954 C GLU A 66 -6.857 2.945 -1.093 1.00 0.00 C ATOM 955 O GLU A 66 -7.475 3.138 -2.122 1.00 0.00 O ATOM 956 CB GLU A 66 -6.380 4.789 0.525 1.00 0.00 C ATOM 957 CG GLU A 66 -6.251 5.663 -0.725 1.00 0.00 C ATOM 958 CD GLU A 66 -5.604 6.997 -0.354 1.00 0.00 C ATOM 959 OE1 GLU A 66 -5.133 7.114 0.766 1.00 0.00 O ATOM 960 OE2 GLU A 66 -5.588 7.880 -1.195 1.00 0.00 O ATOM 0 H GLU A 66 -6.233 2.437 1.675 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.318 3.936 0.145 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.793 5.373 1.348 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.396 4.442 0.842 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.650 5.153 -1.477 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.234 5.834 -1.165 1.00 0.00 H new ATOM 967 N PHE A 67 -5.804 2.177 -1.069 1.00 0.00 N ATOM 968 CA PHE A 67 -5.339 1.515 -2.318 1.00 0.00 C ATOM 969 C PHE A 67 -6.297 0.378 -2.675 1.00 0.00 C ATOM 970 O PHE A 67 -6.491 0.058 -3.832 1.00 0.00 O ATOM 971 CB PHE A 67 -3.931 0.951 -2.104 1.00 0.00 C ATOM 972 CG PHE A 67 -3.584 0.016 -3.238 1.00 0.00 C ATOM 973 CD1 PHE A 67 -3.355 0.527 -4.523 1.00 0.00 C ATOM 974 CD2 PHE A 67 -3.494 -1.363 -3.006 1.00 0.00 C ATOM 975 CE1 PHE A 67 -3.037 -0.342 -5.576 1.00 0.00 C ATOM 976 CE2 PHE A 67 -3.175 -2.232 -4.058 1.00 0.00 C ATOM 977 CZ PHE A 67 -2.947 -1.721 -5.343 1.00 0.00 C ATOM 0 H PHE A 67 -5.246 1.979 -0.238 1.00 0.00 H new ATOM 0 HA PHE A 67 -5.317 2.242 -3.130 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.206 1.764 -2.054 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -3.881 0.420 -1.153 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.424 1.590 -4.702 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -3.671 -1.756 -2.016 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -2.861 0.051 -6.566 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.105 -3.295 -3.879 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.702 -2.390 -6.154 1.00 0.00 H new ATOM 987 N LEU A 68 -6.897 -0.238 -1.694 1.00 0.00 N ATOM 988 CA LEU A 68 -7.839 -1.353 -1.984 1.00 0.00 C ATOM 989 C LEU A 68 -9.166 -0.780 -2.487 1.00 0.00 C ATOM 990 O LEU A 68 -9.784 -1.319 -3.385 1.00 0.00 O ATOM 991 CB LEU A 68 -8.058 -2.186 -0.709 1.00 0.00 C ATOM 992 CG LEU A 68 -9.106 -1.528 0.199 1.00 0.00 C ATOM 993 CD1 LEU A 68 -10.514 -1.857 -0.305 1.00 0.00 C ATOM 994 CD2 LEU A 68 -8.946 -2.066 1.622 1.00 0.00 C ATOM 0 H LEU A 68 -6.775 -0.017 -0.706 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.421 -2.000 -2.756 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.383 -3.191 -0.977 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.116 -2.288 -0.170 1.00 0.00 H new ATOM 0 HG LEU A 68 -8.963 -0.448 0.189 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.252 -1.387 0.345 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -10.634 -1.482 -1.321 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -10.660 -2.937 -0.297 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -9.688 -1.602 2.272 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -9.090 -3.147 1.621 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.946 -1.833 1.989 1.00 0.00 H new ATOM 1006 N GLN A 69 -9.606 0.313 -1.927 1.00 0.00 N ATOM 1007 CA GLN A 69 -10.887 0.917 -2.386 1.00 0.00 C ATOM 1008 C GLN A 69 -10.682 1.524 -3.776 1.00 0.00 C ATOM 1009 O GLN A 69 -11.612 1.984 -4.407 1.00 0.00 O ATOM 1010 CB GLN A 69 -11.318 2.011 -1.408 1.00 0.00 C ATOM 1011 CG GLN A 69 -12.832 1.936 -1.192 1.00 0.00 C ATOM 1012 CD GLN A 69 -13.160 2.302 0.256 1.00 0.00 C ATOM 1013 OE1 GLN A 69 -13.382 3.455 0.568 1.00 0.00 O ATOM 1014 NE2 GLN A 69 -13.201 1.362 1.160 1.00 0.00 N ATOM 0 H GLN A 69 -9.135 0.813 -1.173 1.00 0.00 H new ATOM 0 HA GLN A 69 -11.661 0.150 -2.429 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -10.798 1.889 -0.458 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -11.044 2.991 -1.798 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -13.341 2.616 -1.874 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -13.192 0.932 -1.415 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -13.015 0.394 0.898 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -13.419 1.595 2.129 1.00 0.00 H new ATOM 1023 N SER A 70 -9.467 1.525 -4.257 1.00 0.00 N ATOM 1024 CA SER A 70 -9.198 2.099 -5.603 1.00 0.00 C ATOM 1025 C SER A 70 -10.117 1.445 -6.631 1.00 0.00 C ATOM 1026 O SER A 70 -10.946 2.089 -7.242 1.00 0.00 O ATOM 1027 CB SER A 70 -7.745 1.828 -5.987 1.00 0.00 C ATOM 1028 OG SER A 70 -6.885 2.401 -5.011 1.00 0.00 O ATOM 0 H SER A 70 -8.650 1.152 -3.774 1.00 0.00 H new ATOM 0 HA SER A 70 -9.381 3.173 -5.581 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.570 0.754 -6.057 1.00 0.00 H new ATOM 0 HB3 SER A 70 -7.532 2.250 -6.969 1.00 0.00 H new ATOM 0 HG SER A 70 -5.952 2.227 -5.255 1.00 0.00 H new ATOM 1034 N GLN A 71 -9.970 0.167 -6.829 1.00 0.00 N ATOM 1035 CA GLN A 71 -10.825 -0.543 -7.819 1.00 0.00 C ATOM 1036 C GLN A 71 -11.703 -1.547 -7.082 1.00 0.00 C ATOM 1037 O GLN A 71 -12.204 -2.489 -7.660 1.00 0.00 O ATOM 1038 CB GLN A 71 -9.942 -1.297 -8.821 1.00 0.00 C ATOM 1039 CG GLN A 71 -8.523 -0.719 -8.817 1.00 0.00 C ATOM 1040 CD GLN A 71 -7.715 -1.339 -9.958 1.00 0.00 C ATOM 1041 OE1 GLN A 71 -8.271 -1.753 -10.956 1.00 0.00 O ATOM 1042 NE2 GLN A 71 -6.418 -1.421 -9.853 1.00 0.00 N ATOM 0 H GLN A 71 -9.291 -0.420 -6.345 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.442 0.181 -8.352 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.912 -2.356 -8.565 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.370 -1.223 -9.821 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.560 0.364 -8.931 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.039 -0.923 -7.862 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -5.951 -1.073 -9.015 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -5.870 -1.833 -10.609 1.00 0.00 H new